USER MOD reduce.3.24.130724 H: found=0, std=0, add=503, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 501 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 NoAdj-H: A 32 HIS HD1 : A 32 HIS ND1 : A 998 ZNZN :(H bumps) USER MOD NoAdj-H: A 61 HIS HD1 : A 61 HIS ND1 : A 999 ZNZN :(H bumps) USER MOD Set 1.1: A 64 GLN :FLIP amide:sc= -0.0142 F(o=-2,f=-0.072) USER MOD Set 1.2: A 65 MET CE :methyl -123:sc= -0.058 (180deg=0) USER MOD Set 2.1: A 34 GLN : amide:sc= 0.108 X(o=0.19,f=0.038) USER MOD Set 2.2: A 44 GLN : amide:sc= 0.0854 X(o=0.19,f=0.038) USER MOD Set 3.1: A 26 SER OG : rot -88:sc= 0.55 USER MOD Set 3.2: A 27 ASN : amide:sc= -4.9! C(o=-3.5!,f=-6!) USER MOD Set 3.3: A 31 TYR OH : rot 101:sc= 0.901 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -111:sc= 0.0829 (180deg=-0.0622) USER MOD Single : A 3 ASN : amide:sc= -0.107 X(o=-0.11,f=0) USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ -157:sc= -0.134 (180deg=-1.1) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 ASN : amide:sc= -0.463 K(o=-0.46,f=-1.4) USER MOD Single : A 40 GLN : amide:sc= -0.851 X(o=-0.85,f=-0.55) USER MOD Single : A 43 GLN : amide:sc= -0.35 K(o=-0.35,f=-0.95) USER MOD Single : A 51 TYR OH : rot -155:sc= 0.839 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 TYR OH : rot 30:sc= -0.289 USER MOD Single : A 70 CYS SG : rot 180:sc= -0.152 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 9.596 -22.412 2.127 1.00 0.00 N ATOM 2 CA MET A 1 9.720 -21.767 3.465 1.00 0.00 C ATOM 3 C MET A 1 8.463 -20.942 3.754 1.00 0.00 C ATOM 4 O MET A 1 7.732 -20.577 2.853 1.00 0.00 O ATOM 5 CB MET A 1 10.947 -20.850 3.479 1.00 0.00 C ATOM 6 CG MET A 1 12.220 -21.695 3.568 1.00 0.00 C ATOM 7 SD MET A 1 13.666 -20.607 3.605 1.00 0.00 S ATOM 8 CE MET A 1 14.888 -21.862 4.061 1.00 0.00 C ATOM 0 H1 MET A 1 9.493 -23.440 2.245 1.00 0.00 H new ATOM 0 H2 MET A 1 8.761 -22.035 1.636 1.00 0.00 H new ATOM 0 H3 MET A 1 10.448 -22.212 1.565 1.00 0.00 H new ATOM 0 HA MET A 1 9.833 -22.536 4.229 1.00 0.00 H new ATOM 0 HB2 MET A 1 10.967 -20.239 2.577 1.00 0.00 H new ATOM 0 HB3 MET A 1 10.893 -20.166 4.326 1.00 0.00 H new ATOM 0 HG2 MET A 1 12.195 -22.315 4.464 1.00 0.00 H new ATOM 0 HG3 MET A 1 12.281 -22.370 2.714 1.00 0.00 H new ATOM 0 HE1 MET A 1 15.872 -21.400 4.141 1.00 0.00 H new ATOM 0 HE2 MET A 1 14.616 -22.303 5.020 1.00 0.00 H new ATOM 0 HE3 MET A 1 14.913 -22.640 3.298 1.00 0.00 H new ATOM 18 N ALA A 2 8.209 -20.649 5.005 1.00 0.00 N ATOM 19 CA ALA A 2 7.000 -19.848 5.369 1.00 0.00 C ATOM 20 C ALA A 2 5.736 -20.572 4.890 1.00 0.00 C ATOM 21 O ALA A 2 5.749 -21.762 4.640 1.00 0.00 O ATOM 22 CB ALA A 2 7.085 -18.464 4.713 1.00 0.00 C ATOM 0 H ALA A 2 8.790 -20.932 5.794 1.00 0.00 H new ATOM 0 HA ALA A 2 6.956 -19.732 6.452 1.00 0.00 H new ATOM 0 HB1 ALA A 2 6.203 -17.881 4.979 1.00 0.00 H new ATOM 0 HB2 ALA A 2 7.980 -17.950 5.064 1.00 0.00 H new ATOM 0 HB3 ALA A 2 7.132 -18.577 3.630 1.00 0.00 H new ATOM 28 N ASN A 3 4.645 -19.862 4.763 1.00 0.00 N ATOM 29 CA ASN A 3 3.380 -20.503 4.301 1.00 0.00 C ATOM 30 C ASN A 3 3.449 -20.744 2.790 1.00 0.00 C ATOM 31 O ASN A 3 4.330 -20.250 2.112 1.00 0.00 O ATOM 32 CB ASN A 3 2.198 -19.581 4.618 1.00 0.00 C ATOM 33 CG ASN A 3 2.065 -19.425 6.134 1.00 0.00 C ATOM 34 OD1 ASN A 3 1.279 -20.107 6.760 1.00 0.00 O ATOM 35 ND2 ASN A 3 2.805 -18.548 6.754 1.00 0.00 N ATOM 0 H ASN A 3 4.577 -18.864 4.960 1.00 0.00 H new ATOM 0 HA ASN A 3 3.247 -21.456 4.813 1.00 0.00 H new ATOM 0 HB2 ASN A 3 2.348 -18.607 4.153 1.00 0.00 H new ATOM 0 HB3 ASN A 3 1.279 -19.994 4.202 1.00 0.00 H new ATOM 0 HD21 ASN A 3 2.723 -18.435 7.764 1.00 0.00 H new ATOM 0 HD22 ASN A 3 3.465 -17.975 6.228 1.00 0.00 H new ATOM 42 N ALA A 4 2.524 -21.502 2.259 1.00 0.00 N ATOM 43 CA ALA A 4 2.530 -21.778 0.792 1.00 0.00 C ATOM 44 C ALA A 4 2.259 -20.481 0.025 1.00 0.00 C ATOM 45 O ALA A 4 1.165 -19.951 0.048 1.00 0.00 O ATOM 46 CB ALA A 4 1.441 -22.804 0.464 1.00 0.00 C ATOM 0 H ALA A 4 1.765 -21.942 2.779 1.00 0.00 H new ATOM 0 HA ALA A 4 3.503 -22.173 0.500 1.00 0.00 H new ATOM 0 HB1 ALA A 4 1.443 -23.007 -0.607 1.00 0.00 H new ATOM 0 HB2 ALA A 4 1.635 -23.728 1.009 1.00 0.00 H new ATOM 0 HB3 ALA A 4 0.468 -22.408 0.756 1.00 0.00 H new ATOM 52 N LEU A 5 3.251 -19.964 -0.651 1.00 0.00 N ATOM 53 CA LEU A 5 3.061 -18.700 -1.421 1.00 0.00 C ATOM 54 C LEU A 5 2.335 -19.007 -2.732 1.00 0.00 C ATOM 55 O LEU A 5 2.614 -19.991 -3.390 1.00 0.00 O ATOM 56 CB LEU A 5 4.427 -18.074 -1.726 1.00 0.00 C ATOM 57 CG LEU A 5 5.265 -17.992 -0.443 1.00 0.00 C ATOM 58 CD1 LEU A 5 6.649 -17.428 -0.772 1.00 0.00 C ATOM 59 CD2 LEU A 5 4.569 -17.073 0.568 1.00 0.00 C ATOM 0 H LEU A 5 4.188 -20.364 -0.703 1.00 0.00 H new ATOM 0 HA LEU A 5 2.467 -18.002 -0.831 1.00 0.00 H new ATOM 0 HB2 LEU A 5 4.950 -18.669 -2.474 1.00 0.00 H new ATOM 0 HB3 LEU A 5 4.294 -17.078 -2.147 1.00 0.00 H new ATOM 0 HG LEU A 5 5.369 -18.989 -0.016 1.00 0.00 H new ATOM 0 HD11 LEU A 5 7.244 -17.370 0.139 1.00 0.00 H new ATOM 0 HD12 LEU A 5 7.147 -18.081 -1.489 1.00 0.00 H new ATOM 0 HD13 LEU A 5 6.543 -16.431 -1.201 1.00 0.00 H new ATOM 0 HD21 LEU A 5 5.165 -17.016 1.479 1.00 0.00 H new ATOM 0 HD22 LEU A 5 4.463 -16.076 0.141 1.00 0.00 H new ATOM 0 HD23 LEU A 5 3.583 -17.473 0.805 1.00 0.00 H new ATOM 71 N ALA A 6 1.405 -18.172 -3.116 1.00 0.00 N ATOM 72 CA ALA A 6 0.657 -18.411 -4.385 1.00 0.00 C ATOM 73 C ALA A 6 1.546 -18.051 -5.580 1.00 0.00 C ATOM 74 O ALA A 6 2.144 -18.909 -6.198 1.00 0.00 O ATOM 75 CB ALA A 6 -0.606 -17.545 -4.402 1.00 0.00 C ATOM 0 H ALA A 6 1.131 -17.333 -2.604 1.00 0.00 H new ATOM 0 HA ALA A 6 0.376 -19.462 -4.450 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -1.154 -17.718 -5.328 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -1.238 -17.806 -3.553 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -0.327 -16.493 -4.337 1.00 0.00 H new ATOM 81 N SER A 7 1.635 -16.786 -5.908 1.00 0.00 N ATOM 82 CA SER A 7 2.483 -16.367 -7.063 1.00 0.00 C ATOM 83 C SER A 7 2.646 -14.844 -7.051 1.00 0.00 C ATOM 84 O SER A 7 2.069 -14.156 -6.231 1.00 0.00 O ATOM 85 CB SER A 7 1.813 -16.794 -8.372 1.00 0.00 C ATOM 86 OG SER A 7 0.545 -16.158 -8.481 1.00 0.00 O ATOM 0 H SER A 7 1.156 -16.026 -5.425 1.00 0.00 H new ATOM 0 HA SER A 7 3.462 -16.840 -6.983 1.00 0.00 H new ATOM 0 HB2 SER A 7 2.442 -16.524 -9.220 1.00 0.00 H new ATOM 0 HB3 SER A 7 1.693 -17.877 -8.396 1.00 0.00 H new ATOM 0 HG SER A 7 0.114 -16.428 -9.319 1.00 0.00 H new ATOM 92 N ALA A 8 3.424 -14.316 -7.959 1.00 0.00 N ATOM 93 CA ALA A 8 3.624 -12.838 -8.009 1.00 0.00 C ATOM 94 C ALA A 8 2.344 -12.173 -8.521 1.00 0.00 C ATOM 95 O ALA A 8 1.984 -12.304 -9.676 1.00 0.00 O ATOM 96 CB ALA A 8 4.786 -12.512 -8.953 1.00 0.00 C ATOM 0 H ALA A 8 3.930 -14.845 -8.669 1.00 0.00 H new ATOM 0 HA ALA A 8 3.855 -12.465 -7.011 1.00 0.00 H new ATOM 0 HB1 ALA A 8 4.933 -11.433 -8.990 1.00 0.00 H new ATOM 0 HB2 ALA A 8 5.696 -12.990 -8.589 1.00 0.00 H new ATOM 0 HB3 ALA A 8 4.557 -12.882 -9.953 1.00 0.00 H new ATOM 102 N THR A 9 1.650 -11.463 -7.668 1.00 0.00 N ATOM 103 CA THR A 9 0.389 -10.792 -8.100 1.00 0.00 C ATOM 104 C THR A 9 0.479 -9.290 -7.813 1.00 0.00 C ATOM 105 O THR A 9 1.278 -8.846 -7.012 1.00 0.00 O ATOM 106 CB THR A 9 -0.797 -11.392 -7.336 1.00 0.00 C ATOM 107 OG1 THR A 9 -0.585 -11.240 -5.939 1.00 0.00 O ATOM 108 CG2 THR A 9 -0.930 -12.879 -7.673 1.00 0.00 C ATOM 0 H THR A 9 1.903 -11.320 -6.690 1.00 0.00 H new ATOM 0 HA THR A 9 0.246 -10.945 -9.170 1.00 0.00 H new ATOM 0 HB THR A 9 -1.711 -10.874 -7.625 1.00 0.00 H new ATOM 0 HG1 THR A 9 -1.343 -11.622 -5.450 1.00 0.00 H new ATOM 0 HG21 THR A 9 -1.774 -13.302 -7.128 1.00 0.00 H new ATOM 0 HG22 THR A 9 -1.095 -12.996 -8.744 1.00 0.00 H new ATOM 0 HG23 THR A 9 -0.016 -13.400 -7.387 1.00 0.00 H new ATOM 116 N CYS A 10 -0.330 -8.506 -8.480 1.00 0.00 N ATOM 117 CA CYS A 10 -0.296 -7.023 -8.280 1.00 0.00 C ATOM 118 C CYS A 10 -0.716 -6.647 -6.858 1.00 0.00 C ATOM 119 O CYS A 10 -1.247 -7.447 -6.114 1.00 0.00 O ATOM 120 CB CYS A 10 -1.236 -6.360 -9.280 1.00 0.00 C ATOM 121 SG CYS A 10 -0.875 -4.592 -9.378 1.00 0.00 S ATOM 0 H CYS A 10 -1.018 -8.831 -9.160 1.00 0.00 H new ATOM 0 HA CYS A 10 0.726 -6.677 -8.436 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -1.120 -6.819 -10.262 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -2.272 -6.513 -8.976 1.00 0.00 H new ATOM 126 N GLU A 11 -0.469 -5.420 -6.482 1.00 0.00 N ATOM 127 CA GLU A 11 -0.834 -4.954 -5.117 1.00 0.00 C ATOM 128 C GLU A 11 -2.287 -4.459 -5.107 1.00 0.00 C ATOM 129 O GLU A 11 -3.133 -5.001 -4.422 1.00 0.00 O ATOM 130 CB GLU A 11 0.108 -3.811 -4.721 1.00 0.00 C ATOM 131 CG GLU A 11 -0.373 -3.158 -3.419 1.00 0.00 C ATOM 132 CD GLU A 11 -0.335 -4.184 -2.282 1.00 0.00 C ATOM 133 OE1 GLU A 11 0.699 -4.295 -1.645 1.00 0.00 O ATOM 134 OE2 GLU A 11 -1.341 -4.841 -2.067 1.00 0.00 O ATOM 0 H GLU A 11 -0.025 -4.715 -7.071 1.00 0.00 H new ATOM 0 HA GLU A 11 -0.740 -5.775 -4.407 1.00 0.00 H new ATOM 0 HB2 GLU A 11 1.121 -4.192 -4.593 1.00 0.00 H new ATOM 0 HB3 GLU A 11 0.145 -3.068 -5.517 1.00 0.00 H new ATOM 0 HG2 GLU A 11 0.260 -2.305 -3.173 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -1.387 -2.777 -3.545 1.00 0.00 H new ATOM 141 N ARG A 12 -2.573 -3.425 -5.852 1.00 0.00 N ATOM 142 CA ARG A 12 -3.964 -2.872 -5.882 1.00 0.00 C ATOM 143 C ARG A 12 -4.845 -3.660 -6.858 1.00 0.00 C ATOM 144 O ARG A 12 -5.840 -3.157 -7.345 1.00 0.00 O ATOM 145 CB ARG A 12 -3.921 -1.402 -6.318 1.00 0.00 C ATOM 146 CG ARG A 12 -3.040 -1.242 -7.561 1.00 0.00 C ATOM 147 CD ARG A 12 -2.007 -0.141 -7.307 1.00 0.00 C ATOM 148 NE ARG A 12 -1.372 -0.377 -5.973 1.00 0.00 N ATOM 149 CZ ARG A 12 -0.400 0.384 -5.552 1.00 0.00 C ATOM 150 NH1 ARG A 12 -0.036 1.424 -6.249 1.00 0.00 N ATOM 151 NH2 ARG A 12 0.188 0.119 -4.419 1.00 0.00 N ATOM 0 H ARG A 12 -1.902 -2.936 -6.444 1.00 0.00 H new ATOM 0 HA ARG A 12 -4.389 -2.955 -4.882 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -4.930 -1.049 -6.531 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -3.533 -0.786 -5.507 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -2.538 -2.182 -7.789 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -3.653 -0.989 -8.426 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -1.250 -0.145 -8.092 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -2.485 0.838 -7.330 1.00 0.00 H new ATOM 0 HE ARG A 12 -1.703 -1.142 -5.386 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -0.512 1.643 -7.124 1.00 0.00 H new ATOM 0 HH12 ARG A 12 0.724 2.019 -5.919 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -0.112 -0.682 -3.864 1.00 0.00 H new ATOM 0 HH22 ARG A 12 0.948 0.713 -4.088 1.00 0.00 H new ATOM 165 N CYS A 13 -4.501 -4.885 -7.146 1.00 0.00 N ATOM 166 CA CYS A 13 -5.340 -5.685 -8.089 1.00 0.00 C ATOM 167 C CYS A 13 -5.053 -7.181 -7.910 1.00 0.00 C ATOM 168 O CYS A 13 -5.888 -8.014 -8.204 1.00 0.00 O ATOM 169 CB CYS A 13 -5.044 -5.250 -9.531 1.00 0.00 C ATOM 170 SG CYS A 13 -4.086 -6.528 -10.381 1.00 0.00 S ATOM 0 H CYS A 13 -3.682 -5.366 -6.774 1.00 0.00 H new ATOM 0 HA CYS A 13 -6.394 -5.510 -7.874 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -5.978 -5.070 -10.064 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -4.491 -4.311 -9.530 1.00 0.00 H new ATOM 175 N LYS A 14 -3.883 -7.526 -7.430 1.00 0.00 N ATOM 176 CA LYS A 14 -3.540 -8.967 -7.226 1.00 0.00 C ATOM 177 C LYS A 14 -3.667 -9.722 -8.550 1.00 0.00 C ATOM 178 O LYS A 14 -4.159 -10.834 -8.599 1.00 0.00 O ATOM 179 CB LYS A 14 -4.480 -9.582 -6.181 1.00 0.00 C ATOM 180 CG LYS A 14 -4.249 -8.912 -4.823 1.00 0.00 C ATOM 181 CD LYS A 14 -2.975 -9.473 -4.182 1.00 0.00 C ATOM 182 CE LYS A 14 -2.628 -8.660 -2.933 1.00 0.00 C ATOM 183 NZ LYS A 14 -2.200 -7.291 -3.337 1.00 0.00 N ATOM 0 H LYS A 14 -3.148 -6.868 -7.170 1.00 0.00 H new ATOM 0 HA LYS A 14 -2.513 -9.044 -6.870 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -5.517 -9.453 -6.490 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -4.302 -10.655 -6.103 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -4.160 -7.833 -4.949 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -5.104 -9.087 -4.170 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -3.120 -10.521 -3.918 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -2.150 -9.435 -4.894 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -3.492 -8.602 -2.271 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -1.832 -9.152 -2.375 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -1.611 -6.876 -2.587 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -1.650 -7.345 -4.218 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -3.039 -6.695 -3.488 1.00 0.00 H new ATOM 197 N GLY A 15 -3.213 -9.130 -9.622 1.00 0.00 N ATOM 198 CA GLY A 15 -3.291 -9.816 -10.943 1.00 0.00 C ATOM 199 C GLY A 15 -1.993 -10.584 -11.171 1.00 0.00 C ATOM 200 O GLY A 15 -0.919 -10.014 -11.168 1.00 0.00 O ATOM 0 H GLY A 15 -2.792 -8.201 -9.640 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -4.142 -10.497 -10.966 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -3.444 -9.087 -11.739 1.00 0.00 H new ATOM 204 N GLY A 16 -2.081 -11.875 -11.358 1.00 0.00 N ATOM 205 CA GLY A 16 -0.850 -12.687 -11.576 1.00 0.00 C ATOM 206 C GLY A 16 -0.090 -12.158 -12.793 1.00 0.00 C ATOM 207 O GLY A 16 -0.449 -12.426 -13.923 1.00 0.00 O ATOM 0 H GLY A 16 -2.954 -12.402 -11.369 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -0.214 -12.645 -10.692 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -1.115 -13.733 -11.728 1.00 0.00 H new ATOM 211 N PHE A 17 0.957 -11.411 -12.565 1.00 0.00 N ATOM 212 CA PHE A 17 1.753 -10.858 -13.702 1.00 0.00 C ATOM 213 C PHE A 17 3.149 -11.491 -13.712 1.00 0.00 C ATOM 214 O PHE A 17 3.426 -12.412 -12.968 1.00 0.00 O ATOM 215 CB PHE A 17 1.866 -9.327 -13.581 1.00 0.00 C ATOM 216 CG PHE A 17 2.075 -8.884 -12.141 1.00 0.00 C ATOM 217 CD1 PHE A 17 2.653 -9.746 -11.193 1.00 0.00 C ATOM 218 CD2 PHE A 17 1.705 -7.585 -11.760 1.00 0.00 C ATOM 219 CE1 PHE A 17 2.852 -9.308 -9.881 1.00 0.00 C ATOM 220 CE2 PHE A 17 1.910 -7.153 -10.449 1.00 0.00 C ATOM 221 CZ PHE A 17 2.482 -8.014 -9.511 1.00 0.00 C ATOM 0 H PHE A 17 1.297 -11.158 -11.637 1.00 0.00 H new ATOM 0 HA PHE A 17 1.246 -11.095 -14.637 1.00 0.00 H new ATOM 0 HB2 PHE A 17 2.697 -8.975 -14.193 1.00 0.00 H new ATOM 0 HB3 PHE A 17 0.961 -8.864 -13.975 1.00 0.00 H new ATOM 0 HD1 PHE A 17 2.943 -10.746 -11.478 1.00 0.00 H new ATOM 0 HD2 PHE A 17 1.260 -6.918 -12.483 1.00 0.00 H new ATOM 0 HE1 PHE A 17 3.293 -9.972 -9.152 1.00 0.00 H new ATOM 0 HE2 PHE A 17 1.626 -6.152 -10.160 1.00 0.00 H new ATOM 0 HZ PHE A 17 2.639 -7.678 -8.497 1.00 0.00 H new ATOM 231 N ALA A 18 4.029 -11.009 -14.554 1.00 0.00 N ATOM 232 CA ALA A 18 5.405 -11.589 -14.613 1.00 0.00 C ATOM 233 C ALA A 18 6.284 -10.787 -15.589 1.00 0.00 C ATOM 234 O ALA A 18 7.338 -10.320 -15.208 1.00 0.00 O ATOM 235 CB ALA A 18 5.332 -13.053 -15.065 1.00 0.00 C ATOM 0 H ALA A 18 3.854 -10.241 -15.202 1.00 0.00 H new ATOM 0 HA ALA A 18 5.849 -11.539 -13.619 1.00 0.00 H new ATOM 0 HB1 ALA A 18 6.338 -13.472 -15.107 1.00 0.00 H new ATOM 0 HB2 ALA A 18 4.731 -13.623 -14.357 1.00 0.00 H new ATOM 0 HB3 ALA A 18 4.876 -13.106 -16.053 1.00 0.00 H new ATOM 241 N PRO A 19 5.835 -10.649 -16.823 1.00 0.00 N ATOM 242 CA PRO A 19 6.596 -9.906 -17.850 1.00 0.00 C ATOM 243 C PRO A 19 6.822 -8.456 -17.406 1.00 0.00 C ATOM 244 O PRO A 19 6.033 -7.892 -16.676 1.00 0.00 O ATOM 245 CB PRO A 19 5.719 -9.959 -19.109 1.00 0.00 C ATOM 246 CG PRO A 19 4.453 -10.786 -18.769 1.00 0.00 C ATOM 247 CD PRO A 19 4.554 -11.214 -17.295 1.00 0.00 C ATOM 0 HA PRO A 19 7.583 -10.336 -18.023 1.00 0.00 H new ATOM 0 HB2 PRO A 19 5.444 -8.953 -19.426 1.00 0.00 H new ATOM 0 HB3 PRO A 19 6.264 -10.416 -19.935 1.00 0.00 H new ATOM 0 HG2 PRO A 19 3.553 -10.193 -18.934 1.00 0.00 H new ATOM 0 HG3 PRO A 19 4.382 -11.660 -19.417 1.00 0.00 H new ATOM 0 HD2 PRO A 19 3.715 -10.831 -16.714 1.00 0.00 H new ATOM 0 HD3 PRO A 19 4.541 -12.299 -17.197 1.00 0.00 H new ATOM 255 N ALA A 20 7.898 -7.853 -17.845 1.00 0.00 N ATOM 256 CA ALA A 20 8.189 -6.440 -17.455 1.00 0.00 C ATOM 257 C ALA A 20 7.048 -5.523 -17.908 1.00 0.00 C ATOM 258 O ALA A 20 6.932 -4.398 -17.462 1.00 0.00 O ATOM 259 CB ALA A 20 9.495 -5.992 -18.116 1.00 0.00 C ATOM 0 H ALA A 20 8.590 -8.281 -18.460 1.00 0.00 H new ATOM 0 HA ALA A 20 8.284 -6.380 -16.371 1.00 0.00 H new ATOM 0 HB1 ALA A 20 9.711 -4.961 -17.834 1.00 0.00 H new ATOM 0 HB2 ALA A 20 10.310 -6.637 -17.786 1.00 0.00 H new ATOM 0 HB3 ALA A 20 9.396 -6.058 -19.199 1.00 0.00 H new ATOM 265 N GLU A 21 6.204 -5.997 -18.786 1.00 0.00 N ATOM 266 CA GLU A 21 5.067 -5.160 -19.265 1.00 0.00 C ATOM 267 C GLU A 21 3.942 -5.217 -18.234 1.00 0.00 C ATOM 268 O GLU A 21 3.343 -4.213 -17.897 1.00 0.00 O ATOM 269 CB GLU A 21 4.567 -5.707 -20.608 1.00 0.00 C ATOM 270 CG GLU A 21 3.334 -4.918 -21.068 1.00 0.00 C ATOM 271 CD GLU A 21 2.060 -5.665 -20.658 1.00 0.00 C ATOM 272 OE1 GLU A 21 1.787 -6.700 -21.246 1.00 0.00 O ATOM 273 OE2 GLU A 21 1.376 -5.190 -19.765 1.00 0.00 O ATOM 0 H GLU A 21 6.254 -6.931 -19.193 1.00 0.00 H new ATOM 0 HA GLU A 21 5.391 -4.128 -19.396 1.00 0.00 H new ATOM 0 HB2 GLU A 21 5.356 -5.634 -21.356 1.00 0.00 H new ATOM 0 HB3 GLU A 21 4.317 -6.763 -20.510 1.00 0.00 H new ATOM 0 HG2 GLU A 21 3.342 -3.922 -20.625 1.00 0.00 H new ATOM 0 HG3 GLU A 21 3.358 -4.786 -22.150 1.00 0.00 H new ATOM 280 N LYS A 22 3.652 -6.387 -17.733 1.00 0.00 N ATOM 281 CA LYS A 22 2.566 -6.524 -16.723 1.00 0.00 C ATOM 282 C LYS A 22 3.151 -6.382 -15.315 1.00 0.00 C ATOM 283 O LYS A 22 2.497 -5.908 -14.408 1.00 0.00 O ATOM 284 CB LYS A 22 1.909 -7.900 -16.866 1.00 0.00 C ATOM 285 CG LYS A 22 1.422 -8.089 -18.306 1.00 0.00 C ATOM 286 CD LYS A 22 0.740 -9.454 -18.445 1.00 0.00 C ATOM 287 CE LYS A 22 0.394 -9.707 -19.914 1.00 0.00 C ATOM 288 NZ LYS A 22 -0.211 -11.062 -20.054 1.00 0.00 N ATOM 0 H LYS A 22 4.123 -7.257 -17.981 1.00 0.00 H new ATOM 0 HA LYS A 22 1.821 -5.745 -16.885 1.00 0.00 H new ATOM 0 HB2 LYS A 22 2.621 -8.683 -16.606 1.00 0.00 H new ATOM 0 HB3 LYS A 22 1.072 -7.988 -16.174 1.00 0.00 H new ATOM 0 HG2 LYS A 22 0.725 -7.294 -18.572 1.00 0.00 H new ATOM 0 HG3 LYS A 22 2.262 -8.019 -18.997 1.00 0.00 H new ATOM 0 HD2 LYS A 22 1.398 -10.240 -18.075 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -0.164 -9.484 -17.837 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -0.301 -8.948 -20.271 1.00 0.00 H new ATOM 0 HE3 LYS A 22 1.291 -9.632 -20.528 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -0.447 -11.236 -21.052 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 0.467 -11.780 -19.728 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -1.076 -11.117 -19.479 1.00 0.00 H new ATOM 302 N ILE A 23 4.376 -6.794 -15.127 1.00 0.00 N ATOM 303 CA ILE A 23 5.001 -6.691 -13.778 1.00 0.00 C ATOM 304 C ILE A 23 5.753 -5.360 -13.659 1.00 0.00 C ATOM 305 O ILE A 23 6.554 -5.005 -14.504 1.00 0.00 O ATOM 306 CB ILE A 23 5.965 -7.880 -13.566 1.00 0.00 C ATOM 307 CG1 ILE A 23 5.583 -8.633 -12.285 1.00 0.00 C ATOM 308 CG2 ILE A 23 7.418 -7.401 -13.452 1.00 0.00 C ATOM 309 CD1 ILE A 23 5.591 -7.677 -11.086 1.00 0.00 C ATOM 0 H ILE A 23 4.971 -7.198 -15.851 1.00 0.00 H new ATOM 0 HA ILE A 23 4.228 -6.724 -13.010 1.00 0.00 H new ATOM 0 HB ILE A 23 5.882 -8.541 -14.429 1.00 0.00 H new ATOM 0 HG12 ILE A 23 4.595 -9.079 -12.397 1.00 0.00 H new ATOM 0 HG13 ILE A 23 6.283 -9.450 -12.112 1.00 0.00 H new ATOM 0 HG21 ILE A 23 8.073 -8.259 -13.303 1.00 0.00 H new ATOM 0 HG22 ILE A 23 7.703 -6.881 -14.367 1.00 0.00 H new ATOM 0 HG23 ILE A 23 7.512 -6.722 -12.605 1.00 0.00 H new ATOM 0 HD11 ILE A 23 5.318 -8.223 -10.183 1.00 0.00 H new ATOM 0 HD12 ILE A 23 6.588 -7.252 -10.966 1.00 0.00 H new ATOM 0 HD13 ILE A 23 4.873 -6.875 -11.255 1.00 0.00 H new ATOM 321 N VAL A 24 5.501 -4.632 -12.606 1.00 0.00 N ATOM 322 CA VAL A 24 6.198 -3.331 -12.392 1.00 0.00 C ATOM 323 C VAL A 24 6.436 -3.171 -10.894 1.00 0.00 C ATOM 324 O VAL A 24 5.509 -3.211 -10.114 1.00 0.00 O ATOM 325 CB VAL A 24 5.330 -2.165 -12.891 1.00 0.00 C ATOM 326 CG1 VAL A 24 6.218 -0.945 -13.154 1.00 0.00 C ATOM 327 CG2 VAL A 24 4.612 -2.558 -14.187 1.00 0.00 C ATOM 0 H VAL A 24 4.835 -4.886 -11.877 1.00 0.00 H new ATOM 0 HA VAL A 24 7.138 -3.322 -12.944 1.00 0.00 H new ATOM 0 HB VAL A 24 4.587 -1.925 -12.130 1.00 0.00 H new ATOM 0 HG11 VAL A 24 5.604 -0.117 -13.508 1.00 0.00 H new ATOM 0 HG12 VAL A 24 6.721 -0.655 -12.231 1.00 0.00 H new ATOM 0 HG13 VAL A 24 6.963 -1.193 -13.910 1.00 0.00 H new ATOM 0 HG21 VAL A 24 4.000 -1.724 -14.531 1.00 0.00 H new ATOM 0 HG22 VAL A 24 5.349 -2.806 -14.950 1.00 0.00 H new ATOM 0 HG23 VAL A 24 3.975 -3.423 -14.002 1.00 0.00 H new ATOM 337 N ASN A 25 7.662 -3.004 -10.481 1.00 0.00 N ATOM 338 CA ASN A 25 7.934 -2.854 -9.023 1.00 0.00 C ATOM 339 C ASN A 25 8.405 -1.431 -8.730 1.00 0.00 C ATOM 340 O ASN A 25 9.090 -0.812 -9.521 1.00 0.00 O ATOM 341 CB ASN A 25 9.005 -3.860 -8.593 1.00 0.00 C ATOM 342 CG ASN A 25 9.571 -3.465 -7.225 1.00 0.00 C ATOM 343 OD1 ASN A 25 9.069 -3.886 -6.202 1.00 0.00 O ATOM 344 ND2 ASN A 25 10.602 -2.668 -7.163 1.00 0.00 N ATOM 0 H ASN A 25 8.483 -2.965 -11.085 1.00 0.00 H new ATOM 0 HA ASN A 25 7.019 -3.047 -8.463 1.00 0.00 H new ATOM 0 HB2 ASN A 25 8.577 -4.861 -8.544 1.00 0.00 H new ATOM 0 HB3 ASN A 25 9.805 -3.891 -9.332 1.00 0.00 H new ATOM 0 HD21 ASN A 25 10.985 -2.399 -6.257 1.00 0.00 H new ATOM 0 HD22 ASN A 25 11.025 -2.314 -8.021 1.00 0.00 H new ATOM 351 N SER A 26 8.037 -0.919 -7.590 1.00 0.00 N ATOM 352 CA SER A 26 8.444 0.460 -7.208 1.00 0.00 C ATOM 353 C SER A 26 8.394 0.568 -5.682 1.00 0.00 C ATOM 354 O SER A 26 7.454 0.117 -5.056 1.00 0.00 O ATOM 355 CB SER A 26 7.484 1.467 -7.851 1.00 0.00 C ATOM 356 OG SER A 26 6.352 1.651 -7.012 1.00 0.00 O ATOM 0 H SER A 26 7.465 -1.404 -6.899 1.00 0.00 H new ATOM 0 HA SER A 26 9.454 0.676 -7.555 1.00 0.00 H new ATOM 0 HB2 SER A 26 7.991 2.419 -8.008 1.00 0.00 H new ATOM 0 HB3 SER A 26 7.168 1.109 -8.831 1.00 0.00 H new ATOM 0 HG SER A 26 5.669 0.984 -7.233 1.00 0.00 H new ATOM 362 N ASN A 27 9.410 1.139 -5.078 1.00 0.00 N ATOM 363 CA ASN A 27 9.444 1.258 -3.585 1.00 0.00 C ATOM 364 C ASN A 27 9.694 -0.126 -2.978 1.00 0.00 C ATOM 365 O ASN A 27 10.479 -0.288 -2.064 1.00 0.00 O ATOM 366 CB ASN A 27 8.110 1.831 -3.074 1.00 0.00 C ATOM 367 CG ASN A 27 7.367 0.804 -2.204 1.00 0.00 C ATOM 368 OD1 ASN A 27 7.838 0.422 -1.150 1.00 0.00 O ATOM 369 ND2 ASN A 27 6.215 0.342 -2.603 1.00 0.00 N ATOM 0 H ASN A 27 10.221 1.530 -5.558 1.00 0.00 H new ATOM 0 HA ASN A 27 10.247 1.933 -3.288 1.00 0.00 H new ATOM 0 HB2 ASN A 27 8.296 2.736 -2.496 1.00 0.00 H new ATOM 0 HB3 ASN A 27 7.485 2.117 -3.920 1.00 0.00 H new ATOM 0 HD21 ASN A 27 5.712 -0.337 -2.032 1.00 0.00 H new ATOM 0 HD22 ASN A 27 5.816 0.660 -3.486 1.00 0.00 H new ATOM 376 N GLY A 28 9.015 -1.113 -3.486 1.00 0.00 N ATOM 377 CA GLY A 28 9.167 -2.501 -2.969 1.00 0.00 C ATOM 378 C GLY A 28 7.892 -3.279 -3.294 1.00 0.00 C ATOM 379 O GLY A 28 7.878 -4.495 -3.311 1.00 0.00 O ATOM 0 H GLY A 28 8.348 -1.016 -4.252 1.00 0.00 H new ATOM 0 HA2 GLY A 28 10.032 -2.983 -3.425 1.00 0.00 H new ATOM 0 HA3 GLY A 28 9.340 -2.488 -1.893 1.00 0.00 H new ATOM 383 N GLU A 29 6.818 -2.575 -3.557 1.00 0.00 N ATOM 384 CA GLU A 29 5.530 -3.254 -3.889 1.00 0.00 C ATOM 385 C GLU A 29 5.494 -3.584 -5.384 1.00 0.00 C ATOM 386 O GLU A 29 6.359 -3.185 -6.139 1.00 0.00 O ATOM 387 CB GLU A 29 4.363 -2.318 -3.553 1.00 0.00 C ATOM 388 CG GLU A 29 3.743 -2.717 -2.213 1.00 0.00 C ATOM 389 CD GLU A 29 3.177 -1.472 -1.524 1.00 0.00 C ATOM 390 OE1 GLU A 29 3.932 -0.806 -0.834 1.00 0.00 O ATOM 391 OE2 GLU A 29 1.999 -1.204 -1.699 1.00 0.00 O ATOM 0 H GLU A 29 6.780 -1.556 -3.556 1.00 0.00 H new ATOM 0 HA GLU A 29 5.446 -4.174 -3.310 1.00 0.00 H new ATOM 0 HB2 GLU A 29 4.714 -1.287 -3.508 1.00 0.00 H new ATOM 0 HB3 GLU A 29 3.610 -2.365 -4.340 1.00 0.00 H new ATOM 0 HG2 GLU A 29 2.952 -3.451 -2.370 1.00 0.00 H new ATOM 0 HG3 GLU A 29 4.494 -3.188 -1.578 1.00 0.00 H new ATOM 398 N LEU A 30 4.491 -4.305 -5.812 1.00 0.00 N ATOM 399 CA LEU A 30 4.376 -4.663 -7.258 1.00 0.00 C ATOM 400 C LEU A 30 3.141 -3.971 -7.844 1.00 0.00 C ATOM 401 O LEU A 30 2.095 -3.919 -7.224 1.00 0.00 O ATOM 402 CB LEU A 30 4.220 -6.181 -7.409 1.00 0.00 C ATOM 403 CG LEU A 30 5.455 -6.918 -6.870 1.00 0.00 C ATOM 404 CD1 LEU A 30 6.732 -6.292 -7.440 1.00 0.00 C ATOM 405 CD2 LEU A 30 5.484 -6.840 -5.338 1.00 0.00 C ATOM 0 H LEU A 30 3.742 -4.663 -5.219 1.00 0.00 H new ATOM 0 HA LEU A 30 5.274 -4.340 -7.784 1.00 0.00 H new ATOM 0 HB2 LEU A 30 3.331 -6.514 -6.873 1.00 0.00 H new ATOM 0 HB3 LEU A 30 4.072 -6.432 -8.459 1.00 0.00 H new ATOM 0 HG LEU A 30 5.401 -7.963 -7.176 1.00 0.00 H new ATOM 0 HD11 LEU A 30 7.602 -6.822 -7.052 1.00 0.00 H new ATOM 0 HD12 LEU A 30 6.719 -6.365 -8.527 1.00 0.00 H new ATOM 0 HD13 LEU A 30 6.785 -5.243 -7.147 1.00 0.00 H new ATOM 0 HD21 LEU A 30 6.363 -7.365 -4.964 1.00 0.00 H new ATOM 0 HD22 LEU A 30 5.525 -5.796 -5.028 1.00 0.00 H new ATOM 0 HD23 LEU A 30 4.584 -7.304 -4.933 1.00 0.00 H new ATOM 417 N TYR A 31 3.257 -3.439 -9.031 1.00 0.00 N ATOM 418 CA TYR A 31 2.099 -2.742 -9.671 1.00 0.00 C ATOM 419 C TYR A 31 2.013 -3.148 -11.144 1.00 0.00 C ATOM 420 O TYR A 31 2.971 -3.616 -11.728 1.00 0.00 O ATOM 421 CB TYR A 31 2.301 -1.216 -9.622 1.00 0.00 C ATOM 422 CG TYR A 31 2.933 -0.765 -8.318 1.00 0.00 C ATOM 423 CD1 TYR A 31 4.248 -1.130 -8.001 1.00 0.00 C ATOM 424 CD2 TYR A 31 2.209 0.052 -7.442 1.00 0.00 C ATOM 425 CE1 TYR A 31 4.833 -0.683 -6.813 1.00 0.00 C ATOM 426 CE2 TYR A 31 2.794 0.498 -6.249 1.00 0.00 C ATOM 427 CZ TYR A 31 4.106 0.130 -5.936 1.00 0.00 C ATOM 428 OH TYR A 31 4.685 0.576 -4.767 1.00 0.00 O ATOM 0 H TYR A 31 4.110 -3.456 -9.590 1.00 0.00 H new ATOM 0 HA TYR A 31 1.192 -3.019 -9.134 1.00 0.00 H new ATOM 0 HB2 TYR A 31 2.932 -0.907 -10.456 1.00 0.00 H new ATOM 0 HB3 TYR A 31 1.339 -0.719 -9.749 1.00 0.00 H new ATOM 0 HD1 TYR A 31 4.811 -1.758 -8.676 1.00 0.00 H new ATOM 0 HD2 TYR A 31 1.197 0.339 -7.686 1.00 0.00 H new ATOM 0 HE1 TYR A 31 5.847 -0.965 -6.572 1.00 0.00 H new ATOM 0 HE2 TYR A 31 2.232 1.125 -5.573 1.00 0.00 H new ATOM 0 HH TYR A 31 4.979 1.504 -4.881 1.00 0.00 H new ATOM 438 N HIS A 32 0.880 -2.930 -11.754 1.00 0.00 N ATOM 439 CA HIS A 32 0.720 -3.246 -13.202 1.00 0.00 C ATOM 440 C HIS A 32 1.001 -1.969 -13.980 1.00 0.00 C ATOM 441 O HIS A 32 1.235 -0.926 -13.403 1.00 0.00 O ATOM 442 CB HIS A 32 -0.722 -3.668 -13.497 1.00 0.00 C ATOM 443 CG HIS A 32 -0.839 -5.162 -13.513 1.00 0.00 C ATOM 444 ND1 HIS A 32 -1.535 -5.840 -12.537 1.00 0.00 N ATOM 445 CD2 HIS A 32 -0.380 -6.117 -14.385 1.00 0.00 C ATOM 446 CE1 HIS A 32 -1.480 -7.150 -12.832 1.00 0.00 C ATOM 447 NE2 HIS A 32 -0.788 -7.375 -13.952 1.00 0.00 N ATOM 0 H HIS A 32 0.050 -2.542 -11.306 1.00 0.00 H new ATOM 0 HA HIS A 32 1.397 -4.054 -13.480 1.00 0.00 H new ATOM 0 HB2 HIS A 32 -1.390 -3.253 -12.742 1.00 0.00 H new ATOM 0 HB3 HIS A 32 -1.036 -3.262 -14.459 1.00 0.00 H new ATOM 0 HD2 HIS A 32 0.207 -5.922 -15.270 1.00 0.00 H new ATOM 0 HE1 HIS A 32 -1.939 -7.925 -12.237 1.00 0.00 H new ATOM 0 HE2 HIS A 32 -0.599 -8.275 -14.394 1.00 0.00 H new ATOM 455 N GLU A 33 0.953 -2.023 -15.277 1.00 0.00 N ATOM 456 CA GLU A 33 1.192 -0.785 -16.059 1.00 0.00 C ATOM 457 C GLU A 33 -0.062 0.091 -15.989 1.00 0.00 C ATOM 458 O GLU A 33 -0.115 1.163 -16.560 1.00 0.00 O ATOM 459 CB GLU A 33 1.512 -1.136 -17.517 1.00 0.00 C ATOM 460 CG GLU A 33 0.546 -2.219 -18.014 1.00 0.00 C ATOM 461 CD GLU A 33 0.381 -2.103 -19.532 1.00 0.00 C ATOM 462 OE1 GLU A 33 1.363 -2.287 -20.232 1.00 0.00 O ATOM 463 OE2 GLU A 33 -0.725 -1.830 -19.968 1.00 0.00 O ATOM 0 H GLU A 33 0.761 -2.861 -15.825 1.00 0.00 H new ATOM 0 HA GLU A 33 2.042 -0.244 -15.643 1.00 0.00 H new ATOM 0 HB2 GLU A 33 1.428 -0.247 -18.142 1.00 0.00 H new ATOM 0 HB3 GLU A 33 2.540 -1.488 -17.599 1.00 0.00 H new ATOM 0 HG2 GLU A 33 0.926 -3.207 -17.754 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -0.421 -2.111 -17.524 1.00 0.00 H new ATOM 470 N GLN A 34 -1.072 -0.361 -15.283 1.00 0.00 N ATOM 471 CA GLN A 34 -2.323 0.439 -15.163 1.00 0.00 C ATOM 472 C GLN A 34 -3.035 0.102 -13.850 1.00 0.00 C ATOM 473 O GLN A 34 -4.240 -0.054 -13.804 1.00 0.00 O ATOM 474 CB GLN A 34 -3.244 0.137 -16.352 1.00 0.00 C ATOM 475 CG GLN A 34 -4.234 1.292 -16.546 1.00 0.00 C ATOM 476 CD GLN A 34 -5.638 0.733 -16.790 1.00 0.00 C ATOM 477 OE1 GLN A 34 -6.384 0.501 -15.860 1.00 0.00 O ATOM 478 NE2 GLN A 34 -6.032 0.505 -18.013 1.00 0.00 N ATOM 0 H GLN A 34 -1.079 -1.251 -14.786 1.00 0.00 H new ATOM 0 HA GLN A 34 -2.072 1.500 -15.165 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -2.652 -0.003 -17.256 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -3.785 -0.793 -16.178 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -4.236 1.934 -15.665 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -3.926 1.910 -17.390 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -5.407 0.699 -18.795 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -6.965 0.132 -18.187 1.00 0.00 H new ATOM 487 N CYS A 35 -2.296 0.019 -12.776 1.00 0.00 N ATOM 488 CA CYS A 35 -2.915 -0.273 -11.449 1.00 0.00 C ATOM 489 C CYS A 35 -2.511 0.833 -10.484 1.00 0.00 C ATOM 490 O CYS A 35 -3.176 1.089 -9.503 1.00 0.00 O ATOM 491 CB CYS A 35 -2.417 -1.616 -10.904 1.00 0.00 C ATOM 492 SG CYS A 35 -3.326 -2.981 -11.677 1.00 0.00 S ATOM 0 H CYS A 35 -1.284 0.142 -12.760 1.00 0.00 H new ATOM 0 HA CYS A 35 -3.998 -0.322 -11.558 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -1.350 -1.723 -11.100 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -2.548 -1.649 -9.822 1.00 0.00 H new ATOM 497 N PHE A 36 -1.414 1.488 -10.769 1.00 0.00 N ATOM 498 CA PHE A 36 -0.929 2.590 -9.889 1.00 0.00 C ATOM 499 C PHE A 36 -2.112 3.469 -9.456 1.00 0.00 C ATOM 500 O PHE A 36 -2.661 4.211 -10.250 1.00 0.00 O ATOM 501 CB PHE A 36 0.075 3.444 -10.665 1.00 0.00 C ATOM 502 CG PHE A 36 1.406 2.738 -10.736 1.00 0.00 C ATOM 503 CD1 PHE A 36 1.567 1.631 -11.569 1.00 0.00 C ATOM 504 CD2 PHE A 36 2.478 3.202 -9.973 1.00 0.00 C ATOM 505 CE1 PHE A 36 2.804 0.984 -11.637 1.00 0.00 C ATOM 506 CE2 PHE A 36 3.717 2.556 -10.037 1.00 0.00 C ATOM 507 CZ PHE A 36 3.881 1.445 -10.870 1.00 0.00 C ATOM 0 H PHE A 36 -0.829 1.303 -11.583 1.00 0.00 H new ATOM 0 HA PHE A 36 -0.453 2.165 -9.005 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -0.299 3.635 -11.671 1.00 0.00 H new ATOM 0 HB3 PHE A 36 0.193 4.413 -10.179 1.00 0.00 H new ATOM 0 HD1 PHE A 36 0.737 1.274 -12.161 1.00 0.00 H new ATOM 0 HD2 PHE A 36 2.351 4.062 -9.332 1.00 0.00 H new ATOM 0 HE1 PHE A 36 2.929 0.127 -12.282 1.00 0.00 H new ATOM 0 HE2 PHE A 36 4.545 2.915 -9.444 1.00 0.00 H new ATOM 0 HZ PHE A 36 4.836 0.944 -10.922 1.00 0.00 H new ATOM 517 N VAL A 37 -2.512 3.389 -8.207 1.00 0.00 N ATOM 518 CA VAL A 37 -3.665 4.219 -7.727 1.00 0.00 C ATOM 519 C VAL A 37 -3.193 5.230 -6.685 1.00 0.00 C ATOM 520 O VAL A 37 -2.071 5.199 -6.237 1.00 0.00 O ATOM 521 CB VAL A 37 -4.742 3.331 -7.085 1.00 0.00 C ATOM 522 CG1 VAL A 37 -5.579 2.656 -8.175 1.00 0.00 C ATOM 523 CG2 VAL A 37 -4.090 2.261 -6.205 1.00 0.00 C ATOM 0 H VAL A 37 -2.090 2.786 -7.501 1.00 0.00 H new ATOM 0 HA VAL A 37 -4.082 4.738 -8.590 1.00 0.00 H new ATOM 0 HB VAL A 37 -5.387 3.956 -6.468 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -6.340 2.028 -7.712 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -6.060 3.418 -8.788 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -4.933 2.041 -8.801 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -4.864 1.638 -5.756 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -3.433 1.640 -6.814 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -3.509 2.742 -5.418 1.00 0.00 H new ATOM 533 N CYS A 38 -4.064 6.116 -6.288 1.00 0.00 N ATOM 534 CA CYS A 38 -3.701 7.132 -5.257 1.00 0.00 C ATOM 535 C CYS A 38 -4.051 6.571 -3.879 1.00 0.00 C ATOM 536 O CYS A 38 -5.197 6.311 -3.582 1.00 0.00 O ATOM 537 CB CYS A 38 -4.503 8.414 -5.508 1.00 0.00 C ATOM 538 SG CYS A 38 -3.892 9.761 -4.457 1.00 0.00 S ATOM 0 H CYS A 38 -5.021 6.181 -6.636 1.00 0.00 H new ATOM 0 HA CYS A 38 -2.636 7.358 -5.307 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -4.425 8.699 -6.557 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -5.559 8.236 -5.304 1.00 0.00 H new ATOM 543 N ALA A 39 -3.074 6.371 -3.037 1.00 0.00 N ATOM 544 CA ALA A 39 -3.354 5.819 -1.676 1.00 0.00 C ATOM 545 C ALA A 39 -4.480 6.619 -1.004 1.00 0.00 C ATOM 546 O ALA A 39 -5.039 6.198 -0.009 1.00 0.00 O ATOM 547 CB ALA A 39 -2.089 5.907 -0.820 1.00 0.00 C ATOM 0 H ALA A 39 -2.092 6.566 -3.231 1.00 0.00 H new ATOM 0 HA ALA A 39 -3.663 4.778 -1.771 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -2.293 5.505 0.172 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -1.292 5.330 -1.289 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -1.780 6.949 -0.733 1.00 0.00 H new ATOM 553 N GLN A 40 -4.812 7.767 -1.539 1.00 0.00 N ATOM 554 CA GLN A 40 -5.896 8.599 -0.938 1.00 0.00 C ATOM 555 C GLN A 40 -7.169 8.500 -1.792 1.00 0.00 C ATOM 556 O GLN A 40 -8.165 7.946 -1.367 1.00 0.00 O ATOM 557 CB GLN A 40 -5.434 10.057 -0.877 1.00 0.00 C ATOM 558 CG GLN A 40 -4.119 10.147 -0.097 1.00 0.00 C ATOM 559 CD GLN A 40 -3.607 11.588 -0.117 1.00 0.00 C ATOM 560 OE1 GLN A 40 -4.195 12.463 0.487 1.00 0.00 O ATOM 561 NE2 GLN A 40 -2.527 11.876 -0.789 1.00 0.00 N ATOM 0 H GLN A 40 -4.376 8.165 -2.371 1.00 0.00 H new ATOM 0 HA GLN A 40 -6.114 8.237 0.067 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -5.298 10.448 -1.885 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -6.196 10.671 -0.397 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -4.271 9.819 0.931 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -3.377 9.481 -0.537 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -2.032 11.143 -1.297 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -2.178 12.834 -0.807 1.00 0.00 H new ATOM 570 N CYS A 41 -7.148 9.042 -2.985 1.00 0.00 N ATOM 571 CA CYS A 41 -8.363 8.989 -3.860 1.00 0.00 C ATOM 572 C CYS A 41 -8.441 7.638 -4.579 1.00 0.00 C ATOM 573 O CYS A 41 -9.415 7.337 -5.242 1.00 0.00 O ATOM 574 CB CYS A 41 -8.297 10.115 -4.897 1.00 0.00 C ATOM 575 SG CYS A 41 -7.077 9.706 -6.172 1.00 0.00 S ATOM 0 H CYS A 41 -6.343 9.519 -3.391 1.00 0.00 H new ATOM 0 HA CYS A 41 -9.250 9.112 -3.239 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -9.277 10.260 -5.352 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -8.028 11.053 -4.412 1.00 0.00 H new ATOM 580 N PHE A 42 -7.423 6.828 -4.454 1.00 0.00 N ATOM 581 CA PHE A 42 -7.420 5.493 -5.127 1.00 0.00 C ATOM 582 C PHE A 42 -7.573 5.674 -6.640 1.00 0.00 C ATOM 583 O PHE A 42 -7.971 4.767 -7.346 1.00 0.00 O ATOM 584 CB PHE A 42 -8.568 4.635 -4.586 1.00 0.00 C ATOM 585 CG PHE A 42 -8.556 4.676 -3.074 1.00 0.00 C ATOM 586 CD1 PHE A 42 -7.449 4.186 -2.369 1.00 0.00 C ATOM 587 CD2 PHE A 42 -9.650 5.205 -2.379 1.00 0.00 C ATOM 588 CE1 PHE A 42 -7.437 4.225 -0.970 1.00 0.00 C ATOM 589 CE2 PHE A 42 -9.637 5.245 -0.980 1.00 0.00 C ATOM 590 CZ PHE A 42 -8.531 4.755 -0.275 1.00 0.00 C ATOM 0 H PHE A 42 -6.585 7.035 -3.910 1.00 0.00 H new ATOM 0 HA PHE A 42 -6.474 4.992 -4.922 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -9.522 5.004 -4.963 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -8.464 3.607 -4.934 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -6.605 3.778 -2.905 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -10.504 5.582 -2.922 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -6.584 3.846 -0.427 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -10.481 5.654 -0.444 1.00 0.00 H new ATOM 0 HZ PHE A 42 -8.522 4.786 0.805 1.00 0.00 H new ATOM 600 N GLN A 43 -7.249 6.835 -7.142 1.00 0.00 N ATOM 601 CA GLN A 43 -7.362 7.077 -8.608 1.00 0.00 C ATOM 602 C GLN A 43 -6.281 6.271 -9.324 1.00 0.00 C ATOM 603 O GLN A 43 -5.103 6.523 -9.152 1.00 0.00 O ATOM 604 CB GLN A 43 -7.164 8.573 -8.897 1.00 0.00 C ATOM 605 CG GLN A 43 -6.961 8.805 -10.403 1.00 0.00 C ATOM 606 CD GLN A 43 -8.147 8.227 -11.179 1.00 0.00 C ATOM 607 OE1 GLN A 43 -8.050 7.166 -11.761 1.00 0.00 O ATOM 608 NE2 GLN A 43 -9.272 8.887 -11.211 1.00 0.00 N ATOM 0 H GLN A 43 -6.910 7.628 -6.598 1.00 0.00 H new ATOM 0 HA GLN A 43 -8.347 6.771 -8.961 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -8.031 9.135 -8.550 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -6.301 8.945 -8.345 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -6.866 9.872 -10.607 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -6.035 8.334 -10.732 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -9.354 9.778 -10.722 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -10.069 8.511 -11.725 1.00 0.00 H new ATOM 617 N GLN A 44 -6.667 5.312 -10.127 1.00 0.00 N ATOM 618 CA GLN A 44 -5.659 4.502 -10.859 1.00 0.00 C ATOM 619 C GLN A 44 -5.045 5.357 -11.960 1.00 0.00 C ATOM 620 O GLN A 44 -5.475 6.466 -12.206 1.00 0.00 O ATOM 621 CB GLN A 44 -6.325 3.271 -11.478 1.00 0.00 C ATOM 622 CG GLN A 44 -7.715 3.636 -12.010 1.00 0.00 C ATOM 623 CD GLN A 44 -8.113 2.652 -13.112 1.00 0.00 C ATOM 624 OE1 GLN A 44 -9.014 1.856 -12.936 1.00 0.00 O ATOM 625 NE2 GLN A 44 -7.477 2.674 -14.251 1.00 0.00 N ATOM 0 H GLN A 44 -7.639 5.058 -10.304 1.00 0.00 H new ATOM 0 HA GLN A 44 -4.884 4.173 -10.167 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -5.708 2.882 -12.288 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -6.408 2.480 -10.733 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -8.445 3.607 -11.201 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -7.711 4.654 -12.400 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -6.720 3.342 -14.400 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -7.736 2.023 -14.993 1.00 0.00 H new ATOM 634 N PHE A 45 -4.040 4.859 -12.622 1.00 0.00 N ATOM 635 CA PHE A 45 -3.403 5.663 -13.704 1.00 0.00 C ATOM 636 C PHE A 45 -2.469 4.773 -14.537 1.00 0.00 C ATOM 637 O PHE A 45 -1.683 4.025 -13.988 1.00 0.00 O ATOM 638 CB PHE A 45 -2.599 6.807 -13.065 1.00 0.00 C ATOM 639 CG PHE A 45 -2.923 8.134 -13.728 1.00 0.00 C ATOM 640 CD1 PHE A 45 -4.225 8.421 -14.173 1.00 0.00 C ATOM 641 CD2 PHE A 45 -1.909 9.083 -13.892 1.00 0.00 C ATOM 642 CE1 PHE A 45 -4.502 9.652 -14.779 1.00 0.00 C ATOM 643 CE2 PHE A 45 -2.188 10.312 -14.499 1.00 0.00 C ATOM 644 CZ PHE A 45 -3.483 10.598 -14.943 1.00 0.00 C ATOM 0 H PHE A 45 -3.633 3.937 -12.464 1.00 0.00 H new ATOM 0 HA PHE A 45 -4.172 6.072 -14.359 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -2.824 6.864 -12.000 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -1.532 6.602 -13.155 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -5.012 7.692 -14.047 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -0.908 8.866 -13.549 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -5.503 9.872 -15.120 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -1.402 11.042 -14.625 1.00 0.00 H new ATOM 0 HZ PHE A 45 -3.697 11.547 -15.412 1.00 0.00 H new ATOM 654 N PRO A 46 -2.586 4.884 -15.845 1.00 0.00 N ATOM 655 CA PRO A 46 -1.756 4.102 -16.784 1.00 0.00 C ATOM 656 C PRO A 46 -0.276 4.483 -16.635 1.00 0.00 C ATOM 657 O PRO A 46 0.168 4.868 -15.573 1.00 0.00 O ATOM 658 CB PRO A 46 -2.279 4.482 -18.179 1.00 0.00 C ATOM 659 CG PRO A 46 -3.378 5.558 -17.995 1.00 0.00 C ATOM 660 CD PRO A 46 -3.559 5.790 -16.488 1.00 0.00 C ATOM 0 HA PRO A 46 -1.821 3.029 -16.601 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -1.469 4.865 -18.799 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -2.683 3.606 -18.687 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -3.093 6.485 -18.493 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -4.314 5.229 -18.446 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -3.366 6.829 -16.222 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -4.578 5.564 -16.173 1.00 0.00 H new ATOM 668 N GLU A 47 0.488 4.370 -17.698 1.00 0.00 N ATOM 669 CA GLU A 47 1.945 4.714 -17.646 1.00 0.00 C ATOM 670 C GLU A 47 2.697 3.665 -16.821 1.00 0.00 C ATOM 671 O GLU A 47 3.792 3.262 -17.166 1.00 0.00 O ATOM 672 CB GLU A 47 2.151 6.103 -17.020 1.00 0.00 C ATOM 673 CG GLU A 47 1.218 7.123 -17.688 1.00 0.00 C ATOM 674 CD GLU A 47 0.158 7.593 -16.686 1.00 0.00 C ATOM 675 OE1 GLU A 47 0.537 8.119 -15.651 1.00 0.00 O ATOM 676 OE2 GLU A 47 -1.015 7.421 -16.971 1.00 0.00 O ATOM 0 H GLU A 47 0.159 4.050 -18.609 1.00 0.00 H new ATOM 0 HA GLU A 47 2.334 4.726 -18.664 1.00 0.00 H new ATOM 0 HB2 GLU A 47 1.951 6.062 -15.949 1.00 0.00 H new ATOM 0 HB3 GLU A 47 3.189 6.414 -17.139 1.00 0.00 H new ATOM 0 HG2 GLU A 47 1.794 7.975 -18.048 1.00 0.00 H new ATOM 0 HG3 GLU A 47 0.736 6.674 -18.557 1.00 0.00 H new ATOM 683 N GLY A 48 2.121 3.221 -15.735 1.00 0.00 N ATOM 684 CA GLY A 48 2.800 2.202 -14.888 1.00 0.00 C ATOM 685 C GLY A 48 3.767 2.894 -13.925 1.00 0.00 C ATOM 686 O GLY A 48 4.692 2.288 -13.423 1.00 0.00 O ATOM 0 H GLY A 48 1.206 3.522 -15.399 1.00 0.00 H new ATOM 0 HA2 GLY A 48 2.061 1.630 -14.328 1.00 0.00 H new ATOM 0 HA3 GLY A 48 3.341 1.495 -15.516 1.00 0.00 H new ATOM 690 N LEU A 49 3.557 4.162 -13.664 1.00 0.00 N ATOM 691 CA LEU A 49 4.462 4.897 -12.731 1.00 0.00 C ATOM 692 C LEU A 49 3.971 6.336 -12.552 1.00 0.00 C ATOM 693 O LEU A 49 3.670 7.024 -13.509 1.00 0.00 O ATOM 694 CB LEU A 49 5.888 4.924 -13.300 1.00 0.00 C ATOM 695 CG LEU A 49 6.849 5.512 -12.258 1.00 0.00 C ATOM 696 CD1 LEU A 49 8.205 4.811 -12.358 1.00 0.00 C ATOM 697 CD2 LEU A 49 7.034 7.014 -12.512 1.00 0.00 C ATOM 0 H LEU A 49 2.798 4.718 -14.058 1.00 0.00 H new ATOM 0 HA LEU A 49 4.460 4.387 -11.768 1.00 0.00 H new ATOM 0 HB2 LEU A 49 6.201 3.916 -13.570 1.00 0.00 H new ATOM 0 HB3 LEU A 49 5.915 5.521 -14.212 1.00 0.00 H new ATOM 0 HG LEU A 49 6.432 5.362 -11.262 1.00 0.00 H new ATOM 0 HD11 LEU A 49 8.886 5.230 -11.617 1.00 0.00 H new ATOM 0 HD12 LEU A 49 8.078 3.745 -12.172 1.00 0.00 H new ATOM 0 HD13 LEU A 49 8.618 4.959 -13.356 1.00 0.00 H new ATOM 0 HD21 LEU A 49 7.717 7.427 -11.770 1.00 0.00 H new ATOM 0 HD22 LEU A 49 7.447 7.166 -13.509 1.00 0.00 H new ATOM 0 HD23 LEU A 49 6.070 7.517 -12.438 1.00 0.00 H new ATOM 709 N PHE A 50 3.915 6.797 -11.331 1.00 0.00 N ATOM 710 CA PHE A 50 3.475 8.198 -11.068 1.00 0.00 C ATOM 711 C PHE A 50 4.162 8.694 -9.788 1.00 0.00 C ATOM 712 O PHE A 50 5.358 8.545 -9.632 1.00 0.00 O ATOM 713 CB PHE A 50 1.940 8.266 -10.939 1.00 0.00 C ATOM 714 CG PHE A 50 1.403 7.322 -9.869 1.00 0.00 C ATOM 715 CD1 PHE A 50 2.258 6.668 -8.967 1.00 0.00 C ATOM 716 CD2 PHE A 50 0.018 7.121 -9.778 1.00 0.00 C ATOM 717 CE1 PHE A 50 1.727 5.823 -7.988 1.00 0.00 C ATOM 718 CE2 PHE A 50 -0.507 6.272 -8.798 1.00 0.00 C ATOM 719 CZ PHE A 50 0.348 5.624 -7.904 1.00 0.00 C ATOM 0 H PHE A 50 4.157 6.259 -10.499 1.00 0.00 H new ATOM 0 HA PHE A 50 3.759 8.841 -11.901 1.00 0.00 H new ATOM 0 HB2 PHE A 50 1.643 9.287 -10.700 1.00 0.00 H new ATOM 0 HB3 PHE A 50 1.486 8.018 -11.899 1.00 0.00 H new ATOM 0 HD1 PHE A 50 3.326 6.818 -9.030 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -0.645 7.623 -10.467 1.00 0.00 H new ATOM 0 HE1 PHE A 50 2.386 5.322 -7.294 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -1.574 6.118 -8.733 1.00 0.00 H new ATOM 0 HZ PHE A 50 -0.058 4.969 -7.147 1.00 0.00 H new ATOM 729 N TYR A 51 3.430 9.262 -8.866 1.00 0.00 N ATOM 730 CA TYR A 51 4.069 9.735 -7.604 1.00 0.00 C ATOM 731 C TYR A 51 3.967 8.626 -6.551 1.00 0.00 C ATOM 732 O TYR A 51 3.420 8.809 -5.479 1.00 0.00 O ATOM 733 CB TYR A 51 3.370 11.008 -7.116 1.00 0.00 C ATOM 734 CG TYR A 51 4.346 12.160 -7.173 1.00 0.00 C ATOM 735 CD1 TYR A 51 5.481 12.156 -6.352 1.00 0.00 C ATOM 736 CD2 TYR A 51 4.120 13.229 -8.048 1.00 0.00 C ATOM 737 CE1 TYR A 51 6.387 13.220 -6.404 1.00 0.00 C ATOM 738 CE2 TYR A 51 5.027 14.295 -8.100 1.00 0.00 C ATOM 739 CZ TYR A 51 6.161 14.290 -7.278 1.00 0.00 C ATOM 740 OH TYR A 51 7.056 15.339 -7.330 1.00 0.00 O ATOM 0 H TYR A 51 2.424 9.418 -8.932 1.00 0.00 H new ATOM 0 HA TYR A 51 5.119 9.967 -7.780 1.00 0.00 H new ATOM 0 HB2 TYR A 51 2.500 11.221 -7.737 1.00 0.00 H new ATOM 0 HB3 TYR A 51 3.008 10.871 -6.097 1.00 0.00 H new ATOM 0 HD1 TYR A 51 5.657 11.330 -5.678 1.00 0.00 H new ATOM 0 HD2 TYR A 51 3.246 13.232 -8.683 1.00 0.00 H new ATOM 0 HE1 TYR A 51 7.261 13.216 -5.770 1.00 0.00 H new ATOM 0 HE2 TYR A 51 4.852 15.121 -8.774 1.00 0.00 H new ATOM 0 HH TYR A 51 6.598 16.144 -7.650 1.00 0.00 H new ATOM 750 N GLU A 52 4.492 7.469 -6.859 1.00 0.00 N ATOM 751 CA GLU A 52 4.434 6.329 -5.899 1.00 0.00 C ATOM 752 C GLU A 52 5.474 6.539 -4.787 1.00 0.00 C ATOM 753 O GLU A 52 6.352 7.373 -4.900 1.00 0.00 O ATOM 754 CB GLU A 52 4.707 5.021 -6.660 1.00 0.00 C ATOM 755 CG GLU A 52 6.211 4.710 -6.675 1.00 0.00 C ATOM 756 CD GLU A 52 6.613 3.991 -5.383 1.00 0.00 C ATOM 757 OE1 GLU A 52 5.806 3.229 -4.870 1.00 0.00 O ATOM 758 OE2 GLU A 52 7.720 4.217 -4.926 1.00 0.00 O ATOM 0 H GLU A 52 4.962 7.264 -7.741 1.00 0.00 H new ATOM 0 HA GLU A 52 3.447 6.273 -5.440 1.00 0.00 H new ATOM 0 HB2 GLU A 52 4.165 4.200 -6.190 1.00 0.00 H new ATOM 0 HB3 GLU A 52 4.337 5.104 -7.682 1.00 0.00 H new ATOM 0 HG2 GLU A 52 6.453 4.088 -7.537 1.00 0.00 H new ATOM 0 HG3 GLU A 52 6.780 5.634 -6.779 1.00 0.00 H new ATOM 765 N PHE A 53 5.384 5.789 -3.714 1.00 0.00 N ATOM 766 CA PHE A 53 6.370 5.952 -2.600 1.00 0.00 C ATOM 767 C PHE A 53 6.483 4.649 -1.794 1.00 0.00 C ATOM 768 O PHE A 53 5.793 3.681 -2.050 1.00 0.00 O ATOM 769 CB PHE A 53 5.916 7.093 -1.678 1.00 0.00 C ATOM 770 CG PHE A 53 6.801 8.301 -1.889 1.00 0.00 C ATOM 771 CD1 PHE A 53 8.048 8.375 -1.255 1.00 0.00 C ATOM 772 CD2 PHE A 53 6.375 9.349 -2.718 1.00 0.00 C ATOM 773 CE1 PHE A 53 8.868 9.494 -1.449 1.00 0.00 C ATOM 774 CE2 PHE A 53 7.195 10.466 -2.912 1.00 0.00 C ATOM 775 CZ PHE A 53 8.441 10.539 -2.277 1.00 0.00 C ATOM 0 H PHE A 53 4.673 5.074 -3.562 1.00 0.00 H new ATOM 0 HA PHE A 53 7.347 6.189 -3.022 1.00 0.00 H new ATOM 0 HB2 PHE A 53 4.877 7.350 -1.886 1.00 0.00 H new ATOM 0 HB3 PHE A 53 5.963 6.773 -0.637 1.00 0.00 H new ATOM 0 HD1 PHE A 53 8.377 7.569 -0.616 1.00 0.00 H new ATOM 0 HD2 PHE A 53 5.414 9.294 -3.207 1.00 0.00 H new ATOM 0 HE1 PHE A 53 9.829 9.551 -0.960 1.00 0.00 H new ATOM 0 HE2 PHE A 53 6.867 11.272 -3.552 1.00 0.00 H new ATOM 0 HZ PHE A 53 9.073 11.402 -2.426 1.00 0.00 H new ATOM 785 N GLU A 54 7.365 4.625 -0.828 1.00 0.00 N ATOM 786 CA GLU A 54 7.564 3.397 -0.001 1.00 0.00 C ATOM 787 C GLU A 54 6.348 3.140 0.893 1.00 0.00 C ATOM 788 O GLU A 54 6.030 3.921 1.769 1.00 0.00 O ATOM 789 CB GLU A 54 8.808 3.577 0.874 1.00 0.00 C ATOM 790 CG GLU A 54 9.172 2.243 1.536 1.00 0.00 C ATOM 791 CD GLU A 54 10.124 2.496 2.707 1.00 0.00 C ATOM 792 OE1 GLU A 54 9.640 2.823 3.779 1.00 0.00 O ATOM 793 OE2 GLU A 54 11.320 2.361 2.513 1.00 0.00 O ATOM 0 H GLU A 54 7.962 5.412 -0.574 1.00 0.00 H new ATOM 0 HA GLU A 54 7.691 2.543 -0.667 1.00 0.00 H new ATOM 0 HB2 GLU A 54 9.642 3.933 0.269 1.00 0.00 H new ATOM 0 HB3 GLU A 54 8.622 4.333 1.636 1.00 0.00 H new ATOM 0 HG2 GLU A 54 8.270 1.742 1.888 1.00 0.00 H new ATOM 0 HG3 GLU A 54 9.641 1.580 0.809 1.00 0.00 H new ATOM 800 N GLY A 55 5.680 2.033 0.683 1.00 0.00 N ATOM 801 CA GLY A 55 4.495 1.690 1.523 1.00 0.00 C ATOM 802 C GLY A 55 3.327 2.627 1.210 1.00 0.00 C ATOM 803 O GLY A 55 2.245 2.476 1.743 1.00 0.00 O ATOM 0 H GLY A 55 5.907 1.349 -0.039 1.00 0.00 H new ATOM 0 HA2 GLY A 55 4.199 0.657 1.340 1.00 0.00 H new ATOM 0 HA3 GLY A 55 4.756 1.765 2.579 1.00 0.00 H new ATOM 807 N ARG A 56 3.535 3.594 0.355 1.00 0.00 N ATOM 808 CA ARG A 56 2.433 4.542 0.016 1.00 0.00 C ATOM 809 C ARG A 56 2.609 5.015 -1.424 1.00 0.00 C ATOM 810 O ARG A 56 3.695 5.350 -1.841 1.00 0.00 O ATOM 811 CB ARG A 56 2.476 5.759 0.952 1.00 0.00 C ATOM 812 CG ARG A 56 2.973 5.341 2.342 1.00 0.00 C ATOM 813 CD ARG A 56 3.201 6.584 3.207 1.00 0.00 C ATOM 814 NE ARG A 56 4.600 6.582 3.749 1.00 0.00 N ATOM 815 CZ ARG A 56 5.127 5.503 4.277 1.00 0.00 C ATOM 816 NH1 ARG A 56 4.413 4.422 4.440 1.00 0.00 N ATOM 817 NH2 ARG A 56 6.370 5.518 4.669 1.00 0.00 N ATOM 0 H ARG A 56 4.419 3.768 -0.123 1.00 0.00 H new ATOM 0 HA ARG A 56 1.475 4.034 0.132 1.00 0.00 H new ATOM 0 HB2 ARG A 56 3.134 6.523 0.537 1.00 0.00 H new ATOM 0 HB3 ARG A 56 1.483 6.202 1.031 1.00 0.00 H new ATOM 0 HG2 ARG A 56 2.244 4.685 2.817 1.00 0.00 H new ATOM 0 HG3 ARG A 56 3.900 4.775 2.252 1.00 0.00 H new ATOM 0 HD2 ARG A 56 3.032 7.484 2.616 1.00 0.00 H new ATOM 0 HD3 ARG A 56 2.484 6.602 4.028 1.00 0.00 H new ATOM 0 HE ARG A 56 5.153 7.438 3.706 1.00 0.00 H new ATOM 0 HH11 ARG A 56 3.434 4.410 4.155 1.00 0.00 H new ATOM 0 HH12 ARG A 56 4.835 3.590 4.852 1.00 0.00 H new ATOM 0 HH21 ARG A 56 6.928 6.366 4.564 1.00 0.00 H new ATOM 0 HH22 ARG A 56 6.785 4.682 5.080 1.00 0.00 H new ATOM 831 N LYS A 57 1.550 5.051 -2.184 1.00 0.00 N ATOM 832 CA LYS A 57 1.664 5.509 -3.597 1.00 0.00 C ATOM 833 C LYS A 57 0.671 6.650 -3.842 1.00 0.00 C ATOM 834 O LYS A 57 -0.350 6.743 -3.188 1.00 0.00 O ATOM 835 CB LYS A 57 1.383 4.337 -4.544 1.00 0.00 C ATOM 836 CG LYS A 57 -0.122 4.115 -4.673 1.00 0.00 C ATOM 837 CD LYS A 57 -0.630 3.306 -3.484 1.00 0.00 C ATOM 838 CE LYS A 57 -2.055 2.852 -3.774 1.00 0.00 C ATOM 839 NZ LYS A 57 -2.624 2.187 -2.568 1.00 0.00 N ATOM 0 H LYS A 57 0.611 4.783 -1.888 1.00 0.00 H new ATOM 0 HA LYS A 57 2.674 5.873 -3.787 1.00 0.00 H new ATOM 0 HB2 LYS A 57 1.814 4.540 -5.524 1.00 0.00 H new ATOM 0 HB3 LYS A 57 1.861 3.433 -4.167 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -0.638 5.074 -4.718 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -0.343 3.590 -5.602 1.00 0.00 H new ATOM 0 HD2 LYS A 57 0.014 2.443 -3.312 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -0.603 3.910 -2.577 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -2.670 3.707 -4.054 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -2.063 2.163 -4.619 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -3.597 1.878 -2.768 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -2.042 1.361 -2.320 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -2.631 2.857 -1.773 1.00 0.00 H new ATOM 853 N TYR A 58 0.961 7.520 -4.776 1.00 0.00 N ATOM 854 CA TYR A 58 0.031 8.655 -5.056 1.00 0.00 C ATOM 855 C TYR A 58 0.078 9.018 -6.534 1.00 0.00 C ATOM 856 O TYR A 58 1.108 8.923 -7.174 1.00 0.00 O ATOM 857 CB TYR A 58 0.455 9.889 -4.256 1.00 0.00 C ATOM 858 CG TYR A 58 0.653 9.527 -2.807 1.00 0.00 C ATOM 859 CD1 TYR A 58 -0.453 9.353 -1.969 1.00 0.00 C ATOM 860 CD2 TYR A 58 1.949 9.380 -2.300 1.00 0.00 C ATOM 861 CE1 TYR A 58 -0.262 9.031 -0.620 1.00 0.00 C ATOM 862 CE2 TYR A 58 2.143 9.062 -0.954 1.00 0.00 C ATOM 863 CZ TYR A 58 1.037 8.886 -0.112 1.00 0.00 C ATOM 864 OH TYR A 58 1.226 8.575 1.218 1.00 0.00 O ATOM 0 H TYR A 58 1.800 7.493 -5.356 1.00 0.00 H new ATOM 0 HA TYR A 58 -0.976 8.347 -4.774 1.00 0.00 H new ATOM 0 HB2 TYR A 58 1.379 10.297 -4.666 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -0.304 10.667 -4.344 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -1.453 9.467 -2.362 1.00 0.00 H new ATOM 0 HD2 TYR A 58 2.801 9.513 -2.951 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -1.114 8.894 0.029 1.00 0.00 H new ATOM 0 HE2 TYR A 58 3.144 8.952 -0.563 1.00 0.00 H new ATOM 0 HH TYR A 58 0.468 8.044 1.541 1.00 0.00 H new ATOM 874 N CYS A 59 -1.018 9.474 -7.069 1.00 0.00 N ATOM 875 CA CYS A 59 -1.028 9.892 -8.494 1.00 0.00 C ATOM 876 C CYS A 59 -0.667 11.373 -8.544 1.00 0.00 C ATOM 877 O CYS A 59 -0.544 12.021 -7.521 1.00 0.00 O ATOM 878 CB CYS A 59 -2.417 9.668 -9.101 1.00 0.00 C ATOM 879 SG CYS A 59 -3.690 10.337 -7.998 1.00 0.00 S ATOM 0 H CYS A 59 -1.907 9.575 -6.580 1.00 0.00 H new ATOM 0 HA CYS A 59 -0.311 9.305 -9.068 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -2.479 10.151 -10.076 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -2.586 8.603 -9.261 1.00 0.00 H new ATOM 884 N GLU A 60 -0.493 11.922 -9.711 1.00 0.00 N ATOM 885 CA GLU A 60 -0.139 13.366 -9.803 1.00 0.00 C ATOM 886 C GLU A 60 -1.322 14.212 -9.311 1.00 0.00 C ATOM 887 O GLU A 60 -1.309 15.417 -9.405 1.00 0.00 O ATOM 888 CB GLU A 60 0.186 13.715 -11.262 1.00 0.00 C ATOM 889 CG GLU A 60 0.835 15.105 -11.347 1.00 0.00 C ATOM 890 CD GLU A 60 2.022 15.189 -10.382 1.00 0.00 C ATOM 891 OE1 GLU A 60 3.072 14.667 -10.720 1.00 0.00 O ATOM 892 OE2 GLU A 60 1.862 15.776 -9.323 1.00 0.00 O ATOM 0 H GLU A 60 -0.580 11.436 -10.604 1.00 0.00 H new ATOM 0 HA GLU A 60 0.732 13.575 -9.182 1.00 0.00 H new ATOM 0 HB2 GLU A 60 0.858 12.966 -11.681 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -0.725 13.695 -11.859 1.00 0.00 H new ATOM 0 HG2 GLU A 60 1.170 15.297 -12.366 1.00 0.00 H new ATOM 0 HG3 GLU A 60 0.102 15.873 -11.102 1.00 0.00 H new ATOM 899 N HIS A 61 -2.347 13.589 -8.788 1.00 0.00 N ATOM 900 CA HIS A 61 -3.522 14.369 -8.300 1.00 0.00 C ATOM 901 C HIS A 61 -3.236 14.926 -6.897 1.00 0.00 C ATOM 902 O HIS A 61 -2.980 16.102 -6.733 1.00 0.00 O ATOM 903 CB HIS A 61 -4.764 13.454 -8.288 1.00 0.00 C ATOM 904 CG HIS A 61 -5.566 13.656 -7.027 1.00 0.00 C ATOM 905 ND1 HIS A 61 -5.733 12.652 -6.078 1.00 0.00 N ATOM 906 CD2 HIS A 61 -6.240 14.748 -6.538 1.00 0.00 C ATOM 907 CE1 HIS A 61 -6.480 13.163 -5.082 1.00 0.00 C ATOM 908 NE2 HIS A 61 -6.815 14.435 -5.312 1.00 0.00 N ATOM 0 H HIS A 61 -2.420 12.578 -8.678 1.00 0.00 H new ATOM 0 HA HIS A 61 -3.710 15.212 -8.965 1.00 0.00 H new ATOM 0 HB2 HIS A 61 -5.386 13.666 -9.158 1.00 0.00 H new ATOM 0 HB3 HIS A 61 -4.454 12.412 -8.364 1.00 0.00 H new ATOM 0 HD2 HIS A 61 -6.312 15.706 -7.032 1.00 0.00 H new ATOM 0 HE1 HIS A 61 -6.773 12.610 -4.202 1.00 0.00 H new ATOM 0 HE2 HIS A 61 -7.373 15.046 -4.716 1.00 0.00 H new ATOM 916 N ASP A 62 -3.289 14.102 -5.885 1.00 0.00 N ATOM 917 CA ASP A 62 -3.032 14.601 -4.503 1.00 0.00 C ATOM 918 C ASP A 62 -1.661 15.263 -4.449 1.00 0.00 C ATOM 919 O ASP A 62 -1.445 16.221 -3.730 1.00 0.00 O ATOM 920 CB ASP A 62 -3.053 13.424 -3.522 1.00 0.00 C ATOM 921 CG ASP A 62 -4.242 13.567 -2.568 1.00 0.00 C ATOM 922 OD1 ASP A 62 -4.287 14.554 -1.852 1.00 0.00 O ATOM 923 OD2 ASP A 62 -5.082 12.685 -2.564 1.00 0.00 O ATOM 0 H ASP A 62 -3.499 13.106 -5.955 1.00 0.00 H new ATOM 0 HA ASP A 62 -3.803 15.322 -4.232 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -3.124 12.484 -4.069 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -2.122 13.394 -2.956 1.00 0.00 H new ATOM 928 N PHE A 63 -0.729 14.738 -5.189 1.00 0.00 N ATOM 929 CA PHE A 63 0.645 15.290 -5.173 1.00 0.00 C ATOM 930 C PHE A 63 0.738 16.616 -5.936 1.00 0.00 C ATOM 931 O PHE A 63 1.488 17.490 -5.544 1.00 0.00 O ATOM 932 CB PHE A 63 1.587 14.242 -5.745 1.00 0.00 C ATOM 933 CG PHE A 63 2.226 13.537 -4.580 1.00 0.00 C ATOM 934 CD1 PHE A 63 1.422 12.882 -3.638 1.00 0.00 C ATOM 935 CD2 PHE A 63 3.606 13.556 -4.424 1.00 0.00 C ATOM 936 CE1 PHE A 63 2.008 12.243 -2.543 1.00 0.00 C ATOM 937 CE2 PHE A 63 4.194 12.912 -3.331 1.00 0.00 C ATOM 938 CZ PHE A 63 3.396 12.255 -2.391 1.00 0.00 C ATOM 0 H PHE A 63 -0.865 13.941 -5.811 1.00 0.00 H new ATOM 0 HA PHE A 63 0.932 15.518 -4.147 1.00 0.00 H new ATOM 0 HB2 PHE A 63 1.042 13.535 -6.371 1.00 0.00 H new ATOM 0 HB3 PHE A 63 2.344 14.708 -6.375 1.00 0.00 H new ATOM 0 HD1 PHE A 63 0.349 12.871 -3.759 1.00 0.00 H new ATOM 0 HD2 PHE A 63 4.224 14.068 -5.146 1.00 0.00 H new ATOM 0 HE1 PHE A 63 1.389 11.740 -1.815 1.00 0.00 H new ATOM 0 HE2 PHE A 63 5.267 12.922 -3.213 1.00 0.00 H new ATOM 0 HZ PHE A 63 3.852 11.757 -1.548 1.00 0.00 H new ATOM 948 N GLN A 64 -0.015 16.814 -6.994 1.00 0.00 N ATOM 949 CA GLN A 64 0.085 18.136 -7.691 1.00 0.00 C ATOM 950 C GLN A 64 -0.505 19.204 -6.772 1.00 0.00 C ATOM 951 O GLN A 64 -0.146 20.363 -6.836 1.00 0.00 O ATOM 952 CB GLN A 64 -0.664 18.127 -9.030 1.00 0.00 C ATOM 953 CG GLN A 64 -2.181 18.083 -8.798 1.00 0.00 C ATOM 954 CD GLN A 64 -2.804 19.419 -9.214 1.00 0.00 C ATOM 955 OE1 GLN A 64 -2.832 20.407 -8.363 1.00 0.00 O flip ATOM 956 NE2 GLN A 64 -3.273 19.563 -10.326 1.00 0.00 N flip ATOM 0 H GLN A 64 -0.672 16.144 -7.393 1.00 0.00 H new ATOM 0 HA GLN A 64 1.132 18.347 -7.907 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -0.404 19.016 -9.605 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -0.355 17.264 -9.620 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -2.623 17.269 -9.373 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -2.393 17.883 -7.748 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -3.252 18.791 -10.992 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -3.688 20.456 -10.593 1.00 0.00 H new ATOM 965 N MET A 65 -1.392 18.806 -5.896 1.00 0.00 N ATOM 966 CA MET A 65 -1.993 19.775 -4.941 1.00 0.00 C ATOM 967 C MET A 65 -0.892 20.219 -3.986 1.00 0.00 C ATOM 968 O MET A 65 -0.763 21.383 -3.661 1.00 0.00 O ATOM 969 CB MET A 65 -3.124 19.102 -4.156 1.00 0.00 C ATOM 970 CG MET A 65 -4.261 18.728 -5.109 1.00 0.00 C ATOM 971 SD MET A 65 -4.986 20.232 -5.808 1.00 0.00 S ATOM 972 CE MET A 65 -5.782 19.459 -7.239 1.00 0.00 C ATOM 0 H MET A 65 -1.725 17.846 -5.804 1.00 0.00 H new ATOM 0 HA MET A 65 -2.409 20.631 -5.473 1.00 0.00 H new ATOM 0 HB2 MET A 65 -2.750 18.210 -3.653 1.00 0.00 H new ATOM 0 HB3 MET A 65 -3.492 19.774 -3.381 1.00 0.00 H new ATOM 0 HG2 MET A 65 -3.884 18.089 -5.907 1.00 0.00 H new ATOM 0 HG3 MET A 65 -5.023 18.158 -4.577 1.00 0.00 H new ATOM 0 HE1 MET A 65 -5.423 19.930 -8.154 1.00 0.00 H new ATOM 0 HE2 MET A 65 -5.541 18.396 -7.260 1.00 0.00 H new ATOM 0 HE3 MET A 65 -6.862 19.584 -7.166 1.00 0.00 H new ATOM 982 N LEU A 66 -0.069 19.291 -3.563 1.00 0.00 N ATOM 983 CA LEU A 66 1.061 19.652 -2.658 1.00 0.00 C ATOM 984 C LEU A 66 2.037 20.500 -3.468 1.00 0.00 C ATOM 985 O LEU A 66 2.835 21.244 -2.933 1.00 0.00 O ATOM 986 CB LEU A 66 1.785 18.386 -2.178 1.00 0.00 C ATOM 987 CG LEU A 66 0.782 17.254 -1.948 1.00 0.00 C ATOM 988 CD1 LEU A 66 1.506 16.038 -1.367 1.00 0.00 C ATOM 989 CD2 LEU A 66 -0.310 17.711 -0.974 1.00 0.00 C ATOM 0 H LEU A 66 -0.132 18.302 -3.806 1.00 0.00 H new ATOM 0 HA LEU A 66 0.687 20.191 -1.787 1.00 0.00 H new ATOM 0 HB2 LEU A 66 2.525 18.080 -2.917 1.00 0.00 H new ATOM 0 HB3 LEU A 66 2.325 18.596 -1.254 1.00 0.00 H new ATOM 0 HG LEU A 66 0.323 16.986 -2.900 1.00 0.00 H new ATOM 0 HD11 LEU A 66 0.790 15.232 -1.204 1.00 0.00 H new ATOM 0 HD12 LEU A 66 2.275 15.705 -2.064 1.00 0.00 H new ATOM 0 HD13 LEU A 66 1.970 16.309 -0.419 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -1.020 16.899 -0.816 1.00 0.00 H new ATOM 0 HD22 LEU A 66 0.144 17.987 -0.022 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -0.832 18.573 -1.390 1.00 0.00 H new ATOM 1001 N PHE A 67 1.962 20.375 -4.769 1.00 0.00 N ATOM 1002 CA PHE A 67 2.858 21.145 -5.674 1.00 0.00 C ATOM 1003 C PHE A 67 4.304 20.675 -5.478 1.00 0.00 C ATOM 1004 O PHE A 67 5.054 21.237 -4.701 1.00 0.00 O ATOM 1005 CB PHE A 67 2.739 22.645 -5.372 1.00 0.00 C ATOM 1006 CG PHE A 67 2.706 23.420 -6.669 1.00 0.00 C ATOM 1007 CD1 PHE A 67 3.898 23.702 -7.347 1.00 0.00 C ATOM 1008 CD2 PHE A 67 1.483 23.855 -7.195 1.00 0.00 C ATOM 1009 CE1 PHE A 67 3.867 24.419 -8.549 1.00 0.00 C ATOM 1010 CE2 PHE A 67 1.451 24.572 -8.396 1.00 0.00 C ATOM 1011 CZ PHE A 67 2.644 24.854 -9.073 1.00 0.00 C ATOM 0 H PHE A 67 1.304 19.759 -5.247 1.00 0.00 H new ATOM 0 HA PHE A 67 2.565 20.975 -6.710 1.00 0.00 H new ATOM 0 HB2 PHE A 67 1.834 22.840 -4.796 1.00 0.00 H new ATOM 0 HB3 PHE A 67 3.581 22.972 -4.762 1.00 0.00 H new ATOM 0 HD1 PHE A 67 4.842 23.366 -6.943 1.00 0.00 H new ATOM 0 HD2 PHE A 67 0.563 23.637 -6.673 1.00 0.00 H new ATOM 0 HE1 PHE A 67 4.787 24.637 -9.072 1.00 0.00 H new ATOM 0 HE2 PHE A 67 0.507 24.908 -8.800 1.00 0.00 H new ATOM 0 HZ PHE A 67 2.620 25.408 -10.000 1.00 0.00 H new ATOM 1021 N ALA A 68 4.696 19.641 -6.177 1.00 0.00 N ATOM 1022 CA ALA A 68 6.088 19.118 -6.041 1.00 0.00 C ATOM 1023 C ALA A 68 6.742 19.037 -7.428 1.00 0.00 C ATOM 1024 O ALA A 68 6.750 17.989 -8.046 1.00 0.00 O ATOM 1025 CB ALA A 68 6.045 17.723 -5.412 1.00 0.00 C ATOM 0 H ALA A 68 4.109 19.134 -6.839 1.00 0.00 H new ATOM 0 HA ALA A 68 6.670 19.786 -5.406 1.00 0.00 H new ATOM 0 HB1 ALA A 68 7.060 17.338 -5.311 1.00 0.00 H new ATOM 0 HB2 ALA A 68 5.580 17.782 -4.428 1.00 0.00 H new ATOM 0 HB3 ALA A 68 5.465 17.055 -6.048 1.00 0.00 H new ATOM 1031 N PRO A 69 7.272 20.152 -7.877 1.00 0.00 N ATOM 1032 CA PRO A 69 7.937 20.231 -9.191 1.00 0.00 C ATOM 1033 C PRO A 69 9.152 19.297 -9.219 1.00 0.00 C ATOM 1034 O PRO A 69 10.167 19.568 -8.607 1.00 0.00 O ATOM 1035 CB PRO A 69 8.371 21.698 -9.326 1.00 0.00 C ATOM 1036 CG PRO A 69 7.949 22.436 -8.029 1.00 0.00 C ATOM 1037 CD PRO A 69 7.250 21.415 -7.116 1.00 0.00 C ATOM 0 HA PRO A 69 7.285 19.926 -10.010 1.00 0.00 H new ATOM 0 HB2 PRO A 69 9.449 21.766 -9.471 1.00 0.00 H new ATOM 0 HB3 PRO A 69 7.903 22.157 -10.197 1.00 0.00 H new ATOM 0 HG2 PRO A 69 8.820 22.861 -7.530 1.00 0.00 H new ATOM 0 HG3 PRO A 69 7.279 23.264 -8.261 1.00 0.00 H new ATOM 0 HD2 PRO A 69 7.772 21.313 -6.165 1.00 0.00 H new ATOM 0 HD3 PRO A 69 6.229 21.722 -6.888 1.00 0.00 H new ATOM 1045 N CYS A 70 9.048 18.197 -9.922 1.00 0.00 N ATOM 1046 CA CYS A 70 10.187 17.231 -9.996 1.00 0.00 C ATOM 1047 C CYS A 70 10.526 16.719 -8.588 1.00 0.00 C ATOM 1048 O CYS A 70 9.653 16.764 -7.734 1.00 0.00 O ATOM 1049 CB CYS A 70 11.411 17.923 -10.610 1.00 0.00 C ATOM 1050 SG CYS A 70 10.887 18.963 -11.997 1.00 0.00 S ATOM 0 H CYS A 70 8.219 17.925 -10.450 1.00 0.00 H new ATOM 0 HA CYS A 70 9.903 16.386 -10.622 1.00 0.00 H new ATOM 0 HB2 CYS A 70 11.914 18.530 -9.857 1.00 0.00 H new ATOM 0 HB3 CYS A 70 12.129 17.178 -10.952 1.00 0.00 H new ATOM 0 HG CYS A 70 11.925 19.551 -12.515 1.00 0.00 H new TER 1056 CYS A 70 HETATM 1057 ZN ZN A 998 -2.470 -5.005 -10.983 1.00 0.00 ZN HETATM 1058 ZN ZN A 999 -5.038 10.773 -6.183 1.00 0.00 ZN