USER MOD reduce.3.24.130724 H: found=0, std=0, add=581, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 580 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 Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 172:sc= -0.343! (180deg=-0.574!) USER MOD Single : A 3 SER OG : rot 180:sc= 0.0373 USER MOD Single : A 5 GLN : amide:sc= -0.382 X(o=-0.38,f=-0.66) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 11 GLN : amide:sc= 2.3 K(o=2.3,f=-0.11) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 15 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0163) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 MET CE :methyl 152:sc= -1.81 (180deg=-4.79!) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 ASN : amide:sc= -0.577 X(o=-0.58,f=-0.078) USER MOD Single : A 40 ASN : amide:sc= -0.969 K(o=-0.97,f=-2.8) USER MOD Single : A 43 THR OG1 : rot -44:sc= 0.657 USER MOD Single : A 45 THR OG1 : rot 180:sc= -0.121 USER MOD Single : A 47 ASN : amide:sc= 0.762 K(o=0.76,f=0) USER MOD Single : A 50 TYR OH : rot 150:sc= 0 USER MOD Single : A 55 THR OG1 : rot 98:sc= 0.519 USER MOD Single : A 57 THR OG1 : rot 180:sc= 0.101 USER MOD Single : A 61 GLN :FLIP amide:sc= 0 F(o=-0.56,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 TYR OH : rot 30:sc= 0 USER MOD Single : A 70 HIS : no HD1:sc= -0.0348 X(o=-0.035,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 4.169 16.104 16.450 1.00 6.56 N ATOM 2 CA MET A 1 3.294 17.196 16.931 1.00 5.02 C ATOM 3 C MET A 1 1.980 17.174 16.146 1.00 3.14 C ATOM 4 O MET A 1 1.035 16.508 16.555 1.00 3.04 O ATOM 5 CB MET A 1 3.995 18.568 16.808 1.00 5.95 C ATOM 6 CG MET A 1 4.729 19.025 18.075 1.00 7.24 C ATOM 7 SD MET A 1 5.460 20.676 17.895 1.00 8.68 S ATOM 8 CE MET A 1 5.956 21.028 19.595 1.00 9.74 C ATOM 0 H1 MET A 1 5.110 16.197 16.882 1.00 6.56 H new ATOM 0 H2 MET A 1 3.756 15.187 16.714 1.00 6.56 H new ATOM 0 H3 MET A 1 4.256 16.159 15.415 1.00 6.56 H new ATOM 0 HA MET A 1 3.079 17.040 17.988 1.00 5.02 H new ATOM 0 HB2 MET A 1 4.709 18.524 15.986 1.00 5.95 H new ATOM 0 HB3 MET A 1 3.251 19.319 16.544 1.00 5.95 H new ATOM 0 HG2 MET A 1 4.033 19.029 18.913 1.00 7.24 H new ATOM 0 HG3 MET A 1 5.514 18.308 18.316 1.00 7.24 H new ATOM 0 HE1 MET A 1 6.422 22.012 19.642 1.00 9.74 H new ATOM 0 HE2 MET A 1 5.078 21.011 20.241 1.00 9.74 H new ATOM 0 HE3 MET A 1 6.668 20.273 19.930 1.00 9.74 H new ATOM 20 N LEU A 2 1.946 17.856 14.995 1.00 2.74 N ATOM 21 CA LEU A 2 0.966 17.580 13.949 1.00 1.74 C ATOM 22 C LEU A 2 1.229 16.170 13.414 1.00 1.90 C ATOM 23 O LEU A 2 2.218 15.556 13.814 1.00 3.22 O ATOM 24 CB LEU A 2 1.105 18.625 12.823 1.00 3.07 C ATOM 25 CG LEU A 2 -0.086 19.591 12.756 1.00 3.71 C ATOM 26 CD1 LEU A 2 -0.172 20.470 14.009 1.00 4.28 C ATOM 27 CD2 LEU A 2 0.054 20.480 11.515 1.00 5.32 C ATOM 0 H LEU A 2 2.595 18.609 14.767 1.00 2.74 H new ATOM 0 HA LEU A 2 -0.048 17.639 14.343 1.00 1.74 H new ATOM 0 HB2 LEU A 2 2.021 19.196 12.974 1.00 3.07 H new ATOM 0 HB3 LEU A 2 1.204 18.111 11.867 1.00 3.07 H new ATOM 0 HG LEU A 2 -1.000 19.000 12.698 1.00 3.71 H new ATOM 0 HD11 LEU A 2 -1.027 21.141 13.925 1.00 4.28 H new ATOM 0 HD12 LEU A 2 -0.291 19.838 14.889 1.00 4.28 H new ATOM 0 HD13 LEU A 2 0.741 21.057 14.105 1.00 4.28 H new ATOM 0 HD21 LEU A 2 -0.790 21.168 11.463 1.00 5.32 H new ATOM 0 HD22 LEU A 2 0.982 21.048 11.577 1.00 5.32 H new ATOM 0 HD23 LEU A 2 0.069 19.857 10.621 1.00 5.32 H new ATOM 39 N SER A 3 0.369 15.689 12.507 1.00 1.00 N ATOM 40 CA SER A 3 0.503 14.441 11.779 1.00 0.99 C ATOM 41 C SER A 3 1.950 14.173 11.405 1.00 0.99 C ATOM 42 O SER A 3 2.489 14.794 10.488 1.00 1.20 O ATOM 43 CB SER A 3 -0.354 14.516 10.512 1.00 1.05 C ATOM 44 OG SER A 3 -1.644 14.968 10.877 1.00 1.13 O ATOM 0 H SER A 3 -0.481 16.194 12.255 1.00 1.00 H new ATOM 0 HA SER A 3 0.167 13.624 12.417 1.00 0.99 H new ATOM 0 HB2 SER A 3 0.096 15.195 9.788 1.00 1.05 H new ATOM 0 HB3 SER A 3 -0.415 13.537 10.036 1.00 1.05 H new ATOM 0 HG SER A 3 -2.209 15.025 10.078 1.00 1.13 H new ATOM 50 N GLU A 4 2.581 13.259 12.132 1.00 0.85 N ATOM 51 CA GLU A 4 3.885 12.779 11.773 1.00 0.76 C ATOM 52 C GLU A 4 3.669 11.784 10.641 1.00 0.59 C ATOM 53 O GLU A 4 2.548 11.344 10.412 1.00 0.64 O ATOM 54 CB GLU A 4 4.531 12.206 13.023 1.00 0.85 C ATOM 55 CG GLU A 4 4.929 13.328 13.974 1.00 1.11 C ATOM 56 CD GLU A 4 5.186 12.896 15.410 1.00 1.75 C ATOM 57 OE1 GLU A 4 5.822 11.838 15.590 1.00 1.62 O ATOM 58 OE2 GLU A 4 4.759 13.670 16.301 1.00 3.40 O ATOM 0 H GLU A 4 2.196 12.840 12.979 1.00 0.85 H new ATOM 0 HA GLU A 4 4.572 13.544 11.411 1.00 0.76 H new ATOM 0 HB2 GLU A 4 3.838 11.527 13.520 1.00 0.85 H new ATOM 0 HB3 GLU A 4 5.410 11.621 12.751 1.00 0.85 H new ATOM 0 HG2 GLU A 4 5.829 13.808 13.589 1.00 1.11 H new ATOM 0 HG3 GLU A 4 4.141 14.081 13.973 1.00 1.11 H new ATOM 65 N GLN A 5 4.715 11.481 9.884 1.00 0.64 N ATOM 66 CA GLN A 5 4.638 10.582 8.749 1.00 0.59 C ATOM 67 C GLN A 5 5.744 9.551 8.875 1.00 0.73 C ATOM 68 O GLN A 5 6.805 9.851 9.422 1.00 0.85 O ATOM 69 CB GLN A 5 4.792 11.377 7.455 1.00 0.64 C ATOM 70 CG GLN A 5 3.550 12.237 7.184 1.00 0.62 C ATOM 71 CD GLN A 5 2.469 11.416 6.482 1.00 0.73 C ATOM 72 OE1 GLN A 5 1.412 11.130 7.028 1.00 2.33 O ATOM 73 NE2 GLN A 5 2.751 11.010 5.251 1.00 1.14 N ATOM 0 H GLN A 5 5.649 11.858 10.045 1.00 0.64 H new ATOM 0 HA GLN A 5 3.672 10.077 8.729 1.00 0.59 H new ATOM 0 HB2 GLN A 5 5.673 12.015 7.519 1.00 0.64 H new ATOM 0 HB3 GLN A 5 4.954 10.693 6.622 1.00 0.64 H new ATOM 0 HG2 GLN A 5 3.162 12.631 8.123 1.00 0.62 H new ATOM 0 HG3 GLN A 5 3.822 13.093 6.567 1.00 0.62 H new ATOM 0 HE21 GLN A 5 3.641 11.264 4.821 1.00 1.14 H new ATOM 0 HE22 GLN A 5 2.078 10.444 4.734 1.00 1.14 H new ATOM 82 N LYS A 6 5.492 8.351 8.362 1.00 0.71 N ATOM 83 CA LYS A 6 6.455 7.285 8.299 1.00 0.65 C ATOM 84 C LYS A 6 6.220 6.480 7.028 1.00 0.56 C ATOM 85 O LYS A 6 5.117 6.453 6.477 1.00 0.49 O ATOM 86 CB LYS A 6 6.351 6.439 9.566 1.00 0.65 C ATOM 87 CG LYS A 6 7.384 5.320 9.574 1.00 2.30 C ATOM 88 CD LYS A 6 7.415 4.613 10.930 1.00 1.94 C ATOM 89 CE LYS A 6 8.557 3.587 10.943 1.00 3.54 C ATOM 90 NZ LYS A 6 8.383 2.583 12.010 1.00 4.13 N ATOM 0 H LYS A 6 4.584 8.098 7.971 1.00 0.71 H new ATOM 0 HA LYS A 6 7.472 7.674 8.255 1.00 0.65 H new ATOM 0 HB2 LYS A 6 6.493 7.073 10.441 1.00 0.65 H new ATOM 0 HB3 LYS A 6 5.350 6.013 9.640 1.00 0.65 H new ATOM 0 HG2 LYS A 6 7.151 4.600 8.790 1.00 2.30 H new ATOM 0 HG3 LYS A 6 8.370 5.728 9.350 1.00 2.30 H new ATOM 0 HD2 LYS A 6 7.556 5.341 11.729 1.00 1.94 H new ATOM 0 HD3 LYS A 6 6.463 4.116 11.116 1.00 1.94 H new ATOM 0 HE2 LYS A 6 8.605 3.085 9.977 1.00 3.54 H new ATOM 0 HE3 LYS A 6 9.507 4.103 11.082 1.00 3.54 H new ATOM 0 HZ1 LYS A 6 9.175 1.909 11.985 1.00 4.13 H new ATOM 0 HZ2 LYS A 6 8.363 3.059 12.935 1.00 4.13 H new ATOM 0 HZ3 LYS A 6 7.489 2.072 11.864 1.00 4.13 H new ATOM 104 N GLU A 7 7.303 5.841 6.606 1.00 0.58 N ATOM 105 CA GLU A 7 7.512 5.094 5.396 1.00 0.53 C ATOM 106 C GLU A 7 7.686 3.656 5.841 1.00 0.50 C ATOM 107 O GLU A 7 8.775 3.218 6.210 1.00 0.74 O ATOM 108 CB GLU A 7 8.761 5.590 4.644 1.00 0.63 C ATOM 109 CG GLU A 7 9.229 7.012 4.994 1.00 0.65 C ATOM 110 CD GLU A 7 10.132 7.065 6.232 1.00 0.86 C ATOM 111 OE1 GLU A 7 9.710 6.546 7.292 1.00 0.85 O ATOM 112 OE2 GLU A 7 11.241 7.620 6.092 1.00 1.68 O ATOM 0 H GLU A 7 8.147 5.841 7.178 1.00 0.58 H new ATOM 0 HA GLU A 7 6.678 5.209 4.704 1.00 0.53 H new ATOM 0 HB2 GLU A 7 9.580 4.899 4.842 1.00 0.63 H new ATOM 0 HB3 GLU A 7 8.559 5.547 3.574 1.00 0.63 H new ATOM 0 HG2 GLU A 7 9.766 7.430 4.143 1.00 0.65 H new ATOM 0 HG3 GLU A 7 8.356 7.643 5.162 1.00 0.65 H new ATOM 119 N ILE A 8 6.594 2.912 5.861 1.00 0.34 N ATOM 120 CA ILE A 8 6.663 1.516 6.177 1.00 0.35 C ATOM 121 C ILE A 8 7.027 0.787 4.882 1.00 0.25 C ATOM 122 O ILE A 8 6.943 1.371 3.800 1.00 0.24 O ATOM 123 CB ILE A 8 5.333 1.112 6.801 1.00 0.47 C ATOM 124 CG1 ILE A 8 4.822 2.011 7.931 1.00 1.26 C ATOM 125 CG2 ILE A 8 5.410 -0.328 7.248 1.00 0.81 C ATOM 126 CD1 ILE A 8 5.716 1.894 9.142 1.00 2.29 C ATOM 0 H ILE A 8 5.656 3.260 5.661 1.00 0.34 H new ATOM 0 HA ILE A 8 7.426 1.256 6.911 1.00 0.35 H new ATOM 0 HB ILE A 8 4.589 1.240 6.015 1.00 0.47 H new ATOM 0 HG12 ILE A 8 4.790 3.047 7.594 1.00 1.26 H new ATOM 0 HG13 ILE A 8 3.803 1.730 8.195 1.00 1.26 H new ATOM 0 HG21 ILE A 8 4.460 -0.621 7.695 1.00 0.81 H new ATOM 0 HG22 ILE A 8 5.619 -0.965 6.389 1.00 0.81 H new ATOM 0 HG23 ILE A 8 6.207 -0.439 7.983 1.00 0.81 H new ATOM 0 HD11 ILE A 8 5.339 2.539 9.936 1.00 2.29 H new ATOM 0 HD12 ILE A 8 5.726 0.860 9.488 1.00 2.29 H new ATOM 0 HD13 ILE A 8 6.729 2.198 8.877 1.00 2.29 H new ATOM 138 N ALA A 9 7.476 -0.462 4.999 1.00 0.25 N ATOM 139 CA ALA A 9 7.833 -1.336 3.895 1.00 0.24 C ATOM 140 C ALA A 9 7.185 -2.692 4.162 1.00 0.32 C ATOM 141 O ALA A 9 7.207 -3.140 5.309 1.00 0.46 O ATOM 142 CB ALA A 9 9.356 -1.483 3.828 1.00 0.30 C ATOM 0 H ALA A 9 7.605 -0.907 5.908 1.00 0.25 H new ATOM 0 HA ALA A 9 7.487 -0.928 2.945 1.00 0.24 H new ATOM 0 HB1 ALA A 9 9.622 -2.139 2.999 1.00 0.30 H new ATOM 0 HB2 ALA A 9 9.810 -0.504 3.676 1.00 0.30 H new ATOM 0 HB3 ALA A 9 9.722 -1.911 4.761 1.00 0.30 H new ATOM 148 N MET A 10 6.614 -3.334 3.140 1.00 0.29 N ATOM 149 CA MET A 10 6.043 -4.670 3.263 1.00 0.36 C ATOM 150 C MET A 10 6.025 -5.355 1.888 1.00 0.33 C ATOM 151 O MET A 10 6.350 -4.718 0.884 1.00 0.37 O ATOM 152 CB MET A 10 4.680 -4.618 3.981 1.00 0.65 C ATOM 153 CG MET A 10 3.649 -3.701 3.317 1.00 1.18 C ATOM 154 SD MET A 10 3.775 -1.916 3.627 1.00 1.93 S ATOM 155 CE MET A 10 3.007 -1.836 5.259 1.00 1.87 C ATOM 0 H MET A 10 6.536 -2.938 2.203 1.00 0.29 H new ATOM 0 HA MET A 10 6.669 -5.295 3.900 1.00 0.36 H new ATOM 0 HB2 MET A 10 4.271 -5.627 4.032 1.00 0.65 H new ATOM 0 HB3 MET A 10 4.836 -4.285 5.007 1.00 0.65 H new ATOM 0 HG2 MET A 10 3.706 -3.858 2.240 1.00 1.18 H new ATOM 0 HG3 MET A 10 2.658 -4.026 3.634 1.00 1.18 H new ATOM 0 HE1 MET A 10 2.999 -0.803 5.607 1.00 1.87 H new ATOM 0 HE2 MET A 10 1.984 -2.206 5.198 1.00 1.87 H new ATOM 0 HE3 MET A 10 3.574 -2.450 5.958 1.00 1.87 H new ATOM 165 N GLN A 11 5.697 -6.651 1.846 1.00 0.35 N ATOM 166 CA GLN A 11 5.741 -7.488 0.646 1.00 0.35 C ATOM 167 C GLN A 11 4.370 -7.497 -0.033 1.00 0.32 C ATOM 168 O GLN A 11 3.380 -7.106 0.578 1.00 0.29 O ATOM 169 CB GLN A 11 6.166 -8.912 1.050 1.00 0.41 C ATOM 170 CG GLN A 11 7.624 -9.240 0.696 1.00 0.69 C ATOM 171 CD GLN A 11 7.685 -10.132 -0.539 1.00 1.71 C ATOM 172 OE1 GLN A 11 7.480 -11.336 -0.436 1.00 3.58 O ATOM 173 NE2 GLN A 11 7.927 -9.552 -1.706 1.00 0.94 N ATOM 0 H GLN A 11 5.384 -7.160 2.673 1.00 0.35 H new ATOM 0 HA GLN A 11 6.465 -7.089 -0.065 1.00 0.35 H new ATOM 0 HB2 GLN A 11 6.025 -9.034 2.124 1.00 0.41 H new ATOM 0 HB3 GLN A 11 5.511 -9.631 0.559 1.00 0.41 H new ATOM 0 HG2 GLN A 11 8.177 -8.318 0.514 1.00 0.69 H new ATOM 0 HG3 GLN A 11 8.105 -9.739 1.537 1.00 0.69 H new ATOM 0 HE21 GLN A 11 8.093 -8.547 -1.751 1.00 0.94 H new ATOM 0 HE22 GLN A 11 7.947 -10.111 -2.559 1.00 0.94 H new ATOM 182 N VAL A 12 4.297 -7.946 -1.291 1.00 0.44 N ATOM 183 CA VAL A 12 3.086 -7.886 -2.105 1.00 0.39 C ATOM 184 C VAL A 12 2.761 -9.281 -2.647 1.00 0.36 C ATOM 185 O VAL A 12 3.669 -10.061 -2.920 1.00 0.44 O ATOM 186 CB VAL A 12 3.286 -6.863 -3.240 1.00 0.50 C ATOM 187 CG1 VAL A 12 1.993 -6.658 -4.041 1.00 1.16 C ATOM 188 CG2 VAL A 12 3.718 -5.501 -2.682 1.00 1.14 C ATOM 0 H VAL A 12 5.090 -8.366 -1.775 1.00 0.44 H new ATOM 0 HA VAL A 12 2.240 -7.559 -1.501 1.00 0.39 H new ATOM 0 HB VAL A 12 4.063 -7.265 -3.890 1.00 0.50 H new ATOM 0 HG11 VAL A 12 2.168 -5.931 -4.834 1.00 1.16 H new ATOM 0 HG12 VAL A 12 1.683 -7.606 -4.480 1.00 1.16 H new ATOM 0 HG13 VAL A 12 1.209 -6.291 -3.379 1.00 1.16 H new ATOM 0 HG21 VAL A 12 3.852 -4.797 -3.503 1.00 1.14 H new ATOM 0 HG22 VAL A 12 2.951 -5.126 -2.004 1.00 1.14 H new ATOM 0 HG23 VAL A 12 4.658 -5.611 -2.141 1.00 1.14 H new ATOM 198 N SER A 13 1.474 -9.605 -2.799 1.00 0.38 N ATOM 199 CA SER A 13 0.993 -10.805 -3.475 1.00 0.42 C ATOM 200 C SER A 13 -0.029 -10.402 -4.541 1.00 0.48 C ATOM 201 O SER A 13 -0.391 -9.232 -4.647 1.00 0.72 O ATOM 202 CB SER A 13 0.398 -11.753 -2.433 1.00 0.72 C ATOM 203 OG SER A 13 1.437 -12.242 -1.611 1.00 1.08 O ATOM 0 H SER A 13 0.718 -9.020 -2.443 1.00 0.38 H new ATOM 0 HA SER A 13 1.807 -11.327 -3.977 1.00 0.42 H new ATOM 0 HB2 SER A 13 -0.345 -11.231 -1.830 1.00 0.72 H new ATOM 0 HB3 SER A 13 -0.114 -12.580 -2.925 1.00 0.72 H new ATOM 0 HG SER A 13 1.064 -12.850 -0.939 1.00 1.08 H new ATOM 209 N GLY A 14 -0.460 -11.346 -5.384 1.00 0.57 N ATOM 210 CA GLY A 14 -1.422 -11.079 -6.451 1.00 0.85 C ATOM 211 C GLY A 14 -0.780 -10.430 -7.684 1.00 1.11 C ATOM 212 O GLY A 14 -1.195 -10.706 -8.809 1.00 2.28 O ATOM 0 H GLY A 14 -0.150 -12.317 -5.343 1.00 0.57 H new ATOM 0 HA2 GLY A 14 -1.899 -12.014 -6.745 1.00 0.85 H new ATOM 0 HA3 GLY A 14 -2.207 -10.426 -6.070 1.00 0.85 H new ATOM 216 N MET A 15 0.213 -9.559 -7.470 1.00 1.18 N ATOM 217 CA MET A 15 0.926 -8.850 -8.522 1.00 1.34 C ATOM 218 C MET A 15 1.313 -9.724 -9.719 1.00 1.41 C ATOM 219 O MET A 15 1.681 -10.887 -9.580 1.00 1.46 O ATOM 220 CB MET A 15 2.139 -8.099 -7.952 1.00 1.35 C ATOM 221 CG MET A 15 3.186 -8.991 -7.259 1.00 1.36 C ATOM 222 SD MET A 15 4.406 -9.792 -8.338 1.00 1.89 S ATOM 223 CE MET A 15 5.402 -10.672 -7.112 1.00 2.62 C ATOM 0 H MET A 15 0.546 -9.327 -6.534 1.00 1.18 H new ATOM 0 HA MET A 15 0.220 -8.122 -8.922 1.00 1.34 H new ATOM 0 HB2 MET A 15 2.625 -7.555 -8.762 1.00 1.35 H new ATOM 0 HB3 MET A 15 1.785 -7.356 -7.237 1.00 1.35 H new ATOM 0 HG2 MET A 15 3.722 -8.384 -6.529 1.00 1.36 H new ATOM 0 HG3 MET A 15 2.660 -9.767 -6.704 1.00 1.36 H new ATOM 0 HE1 MET A 15 6.200 -11.218 -7.615 1.00 2.62 H new ATOM 0 HE2 MET A 15 5.836 -9.956 -6.414 1.00 2.62 H new ATOM 0 HE3 MET A 15 4.771 -11.374 -6.566 1.00 2.62 H new ATOM 233 N THR A 16 1.220 -9.113 -10.900 1.00 1.51 N ATOM 234 CA THR A 16 1.561 -9.683 -12.196 1.00 1.53 C ATOM 235 C THR A 16 1.950 -8.519 -13.108 1.00 1.12 C ATOM 236 O THR A 16 3.085 -8.428 -13.567 1.00 1.71 O ATOM 237 CB THR A 16 0.353 -10.443 -12.772 1.00 1.86 C ATOM 238 OG1 THR A 16 -0.843 -9.799 -12.374 1.00 1.90 O ATOM 239 CG2 THR A 16 0.307 -11.907 -12.327 1.00 2.71 C ATOM 0 H THR A 16 0.885 -8.153 -10.978 1.00 1.51 H new ATOM 0 HA THR A 16 2.384 -10.392 -12.109 1.00 1.53 H new ATOM 0 HB THR A 16 0.456 -10.434 -13.857 1.00 1.86 H new ATOM 0 HG1 THR A 16 -1.612 -10.282 -12.742 1.00 1.90 H new ATOM 0 HG21 THR A 16 -0.566 -12.393 -12.764 1.00 2.71 H new ATOM 0 HG22 THR A 16 1.211 -12.417 -12.660 1.00 2.71 H new ATOM 0 HG23 THR A 16 0.243 -11.955 -11.240 1.00 2.71 H new ATOM 247 N CYS A 17 1.001 -7.604 -13.324 1.00 0.77 N ATOM 248 CA CYS A 17 1.158 -6.457 -14.213 1.00 1.36 C ATOM 249 C CYS A 17 2.243 -5.482 -13.744 1.00 1.35 C ATOM 250 O CYS A 17 2.734 -4.686 -14.540 1.00 2.77 O ATOM 251 CB CYS A 17 -0.161 -5.682 -14.301 1.00 1.95 C ATOM 252 SG CYS A 17 -1.581 -6.746 -14.665 1.00 2.28 S ATOM 0 H CYS A 17 0.086 -7.643 -12.876 1.00 0.77 H new ATOM 0 HA CYS A 17 1.452 -6.860 -15.182 1.00 1.36 H new ATOM 0 HB2 CYS A 17 -0.335 -5.162 -13.359 1.00 1.95 H new ATOM 0 HB3 CYS A 17 -0.077 -4.919 -15.075 1.00 1.95 H new ATOM 257 N ALA A 18 2.525 -5.459 -12.436 1.00 1.33 N ATOM 258 CA ALA A 18 3.349 -4.466 -11.753 1.00 1.30 C ATOM 259 C ALA A 18 2.655 -3.099 -11.731 1.00 1.28 C ATOM 260 O ALA A 18 2.346 -2.583 -10.660 1.00 2.67 O ATOM 261 CB ALA A 18 4.773 -4.398 -12.318 1.00 1.60 C ATOM 0 H ALA A 18 2.165 -6.169 -11.798 1.00 1.33 H new ATOM 0 HA ALA A 18 3.460 -4.788 -10.718 1.00 1.30 H new ATOM 0 HB1 ALA A 18 5.344 -3.645 -11.776 1.00 1.60 H new ATOM 0 HB2 ALA A 18 5.255 -5.369 -12.206 1.00 1.60 H new ATOM 0 HB3 ALA A 18 4.733 -4.132 -13.374 1.00 1.60 H new ATOM 267 N ALA A 19 2.362 -2.527 -12.903 1.00 0.69 N ATOM 268 CA ALA A 19 1.683 -1.243 -13.055 1.00 0.65 C ATOM 269 C ALA A 19 0.430 -1.157 -12.175 1.00 0.56 C ATOM 270 O ALA A 19 0.209 -0.159 -11.492 1.00 0.58 O ATOM 271 CB ALA A 19 1.334 -1.026 -14.529 1.00 0.81 C ATOM 0 H ALA A 19 2.599 -2.960 -13.796 1.00 0.69 H new ATOM 0 HA ALA A 19 2.356 -0.452 -12.724 1.00 0.65 H new ATOM 0 HB1 ALA A 19 0.827 -0.068 -14.646 1.00 0.81 H new ATOM 0 HB2 ALA A 19 2.248 -1.028 -15.123 1.00 0.81 H new ATOM 0 HB3 ALA A 19 0.678 -1.827 -14.869 1.00 0.81 H new ATOM 277 N CYS A 20 -0.390 -2.210 -12.170 1.00 0.54 N ATOM 278 CA CYS A 20 -1.589 -2.282 -11.345 1.00 0.52 C ATOM 279 C CYS A 20 -1.293 -2.111 -9.855 1.00 0.37 C ATOM 280 O CYS A 20 -2.091 -1.523 -9.125 1.00 0.36 O ATOM 281 CB CYS A 20 -2.335 -3.580 -11.655 1.00 0.67 C ATOM 282 SG CYS A 20 -2.982 -3.433 -13.350 1.00 1.54 S ATOM 0 H CYS A 20 -0.236 -3.040 -12.743 1.00 0.54 H new ATOM 0 HA CYS A 20 -2.235 -1.441 -11.597 1.00 0.52 H new ATOM 0 HB2 CYS A 20 -1.668 -4.438 -11.570 1.00 0.67 H new ATOM 0 HB3 CYS A 20 -3.147 -3.737 -10.945 1.00 0.67 H new ATOM 287 N ALA A 21 -0.127 -2.565 -9.401 1.00 0.37 N ATOM 288 CA ALA A 21 0.288 -2.356 -8.027 1.00 0.39 C ATOM 289 C ALA A 21 0.485 -0.860 -7.731 1.00 0.35 C ATOM 290 O ALA A 21 0.465 -0.443 -6.584 1.00 0.39 O ATOM 291 CB ALA A 21 1.528 -3.200 -7.723 1.00 0.56 C ATOM 0 H ALA A 21 0.544 -3.080 -9.970 1.00 0.37 H new ATOM 0 HA ALA A 21 -0.501 -2.692 -7.354 1.00 0.39 H new ATOM 0 HB1 ALA A 21 1.834 -3.038 -6.689 1.00 0.56 H new ATOM 0 HB2 ALA A 21 1.296 -4.255 -7.872 1.00 0.56 H new ATOM 0 HB3 ALA A 21 2.339 -2.909 -8.391 1.00 0.56 H new ATOM 297 N ALA A 22 0.653 0.000 -8.740 1.00 0.33 N ATOM 298 CA ALA A 22 0.617 1.432 -8.494 1.00 0.35 C ATOM 299 C ALA A 22 -0.816 1.832 -8.156 1.00 0.31 C ATOM 300 O ALA A 22 -1.050 2.564 -7.197 1.00 0.31 O ATOM 301 CB ALA A 22 1.142 2.211 -9.702 1.00 0.44 C ATOM 0 H ALA A 22 0.811 -0.268 -9.711 1.00 0.33 H new ATOM 0 HA ALA A 22 1.268 1.676 -7.654 1.00 0.35 H new ATOM 0 HB1 ALA A 22 1.104 3.280 -9.490 1.00 0.44 H new ATOM 0 HB2 ALA A 22 2.172 1.918 -9.904 1.00 0.44 H new ATOM 0 HB3 ALA A 22 0.525 1.991 -10.573 1.00 0.44 H new ATOM 307 N ARG A 23 -1.781 1.366 -8.956 1.00 0.32 N ATOM 308 CA ARG A 23 -3.183 1.729 -8.798 1.00 0.31 C ATOM 309 C ARG A 23 -3.650 1.409 -7.383 1.00 0.27 C ATOM 310 O ARG A 23 -4.342 2.235 -6.786 1.00 0.30 O ATOM 311 CB ARG A 23 -4.061 1.059 -9.868 1.00 0.43 C ATOM 312 CG ARG A 23 -3.734 1.630 -11.256 1.00 0.70 C ATOM 313 CD ARG A 23 -4.187 0.716 -12.400 1.00 1.40 C ATOM 314 NE ARG A 23 -5.639 0.722 -12.624 1.00 1.94 N ATOM 315 CZ ARG A 23 -6.229 0.001 -13.594 1.00 3.11 C ATOM 316 NH1 ARG A 23 -5.517 -0.899 -14.286 1.00 4.16 N ATOM 317 NH2 ARG A 23 -7.524 0.189 -13.874 1.00 3.89 N ATOM 0 H ARG A 23 -1.606 0.726 -9.731 1.00 0.32 H new ATOM 0 HA ARG A 23 -3.285 2.804 -8.947 1.00 0.31 H new ATOM 0 HB2 ARG A 23 -3.896 -0.018 -9.862 1.00 0.43 H new ATOM 0 HB3 ARG A 23 -5.114 1.222 -9.639 1.00 0.43 H new ATOM 0 HG2 ARG A 23 -4.212 2.603 -11.365 1.00 0.70 H new ATOM 0 HG3 ARG A 23 -2.659 1.793 -11.332 1.00 0.70 H new ATOM 0 HD2 ARG A 23 -3.686 1.023 -13.318 1.00 1.40 H new ATOM 0 HD3 ARG A 23 -3.866 -0.304 -12.187 1.00 1.40 H new ATOM 0 HE ARG A 23 -6.224 1.297 -12.018 1.00 1.94 H new ATOM 0 HH11 ARG A 23 -4.528 -1.037 -14.077 1.00 4.16 H new ATOM 0 HH12 ARG A 23 -5.964 -1.446 -15.022 1.00 4.16 H new ATOM 0 HH21 ARG A 23 -8.064 0.879 -13.352 1.00 3.89 H new ATOM 0 HH22 ARG A 23 -7.971 -0.358 -14.610 1.00 3.89 H new ATOM 331 N ILE A 24 -3.244 0.258 -6.826 1.00 0.28 N ATOM 332 CA ILE A 24 -3.582 -0.022 -5.435 1.00 0.29 C ATOM 333 C ILE A 24 -3.045 1.077 -4.516 1.00 0.28 C ATOM 334 O ILE A 24 -3.840 1.749 -3.878 1.00 0.31 O ATOM 335 CB ILE A 24 -3.314 -1.462 -4.976 1.00 0.33 C ATOM 336 CG1 ILE A 24 -1.862 -1.689 -4.576 1.00 0.40 C ATOM 337 CG2 ILE A 24 -3.806 -2.445 -6.038 1.00 0.47 C ATOM 338 CD1 ILE A 24 -1.425 -3.142 -4.404 1.00 0.39 C ATOM 0 H ILE A 24 -2.702 -0.465 -7.300 1.00 0.28 H new ATOM 0 HA ILE A 24 -4.669 0.018 -5.358 1.00 0.29 H new ATOM 0 HB ILE A 24 -3.883 -1.644 -4.065 1.00 0.33 H new ATOM 0 HG12 ILE A 24 -1.224 -1.227 -5.329 1.00 0.40 H new ATOM 0 HG13 ILE A 24 -1.680 -1.164 -3.638 1.00 0.40 H new ATOM 0 HG21 ILE A 24 -3.613 -3.465 -5.707 1.00 0.47 H new ATOM 0 HG22 ILE A 24 -4.877 -2.310 -6.191 1.00 0.47 H new ATOM 0 HG23 ILE A 24 -3.280 -2.262 -6.975 1.00 0.47 H new ATOM 0 HD11 ILE A 24 -0.373 -3.174 -4.119 1.00 0.39 H new ATOM 0 HD12 ILE A 24 -2.026 -3.613 -3.626 1.00 0.39 H new ATOM 0 HD13 ILE A 24 -1.563 -3.677 -5.344 1.00 0.39 H new ATOM 350 N GLU A 25 -1.736 1.333 -4.504 1.00 0.28 N ATOM 351 CA GLU A 25 -1.127 2.409 -3.726 1.00 0.30 C ATOM 352 C GLU A 25 -1.854 3.751 -3.892 1.00 0.32 C ATOM 353 O GLU A 25 -2.063 4.467 -2.913 1.00 0.33 O ATOM 354 CB GLU A 25 0.366 2.517 -4.086 1.00 0.38 C ATOM 355 CG GLU A 25 1.240 1.658 -3.161 1.00 0.41 C ATOM 356 CD GLU A 25 0.693 0.256 -2.943 1.00 1.18 C ATOM 357 OE1 GLU A 25 1.029 -0.621 -3.762 1.00 2.67 O ATOM 358 OE2 GLU A 25 -0.032 0.082 -1.941 1.00 1.92 O ATOM 0 H GLU A 25 -1.061 0.790 -5.043 1.00 0.28 H new ATOM 0 HA GLU A 25 -1.223 2.158 -2.670 1.00 0.30 H new ATOM 0 HB2 GLU A 25 0.514 2.204 -5.120 1.00 0.38 H new ATOM 0 HB3 GLU A 25 0.681 3.558 -4.020 1.00 0.38 H new ATOM 0 HG2 GLU A 25 2.242 1.587 -3.583 1.00 0.41 H new ATOM 0 HG3 GLU A 25 1.335 2.157 -2.197 1.00 0.41 H new ATOM 365 N LYS A 26 -2.253 4.121 -5.110 1.00 0.39 N ATOM 366 CA LYS A 26 -2.940 5.396 -5.309 1.00 0.54 C ATOM 367 C LYS A 26 -4.352 5.368 -4.708 1.00 0.56 C ATOM 368 O LYS A 26 -4.732 6.274 -3.965 1.00 0.71 O ATOM 369 CB LYS A 26 -2.935 5.819 -6.787 1.00 0.67 C ATOM 370 CG LYS A 26 -1.549 5.833 -7.457 1.00 0.77 C ATOM 371 CD LYS A 26 -0.468 6.661 -6.740 1.00 1.30 C ATOM 372 CE LYS A 26 0.953 6.268 -7.178 1.00 0.89 C ATOM 373 NZ LYS A 26 1.164 6.380 -8.636 1.00 2.24 N ATOM 0 H LYS A 26 -2.116 3.569 -5.957 1.00 0.39 H new ATOM 0 HA LYS A 26 -2.384 6.162 -4.769 1.00 0.54 H new ATOM 0 HB2 LYS A 26 -3.584 5.144 -7.344 1.00 0.67 H new ATOM 0 HB3 LYS A 26 -3.369 6.816 -6.865 1.00 0.67 H new ATOM 0 HG2 LYS A 26 -1.196 4.805 -7.541 1.00 0.77 H new ATOM 0 HG3 LYS A 26 -1.660 6.216 -8.471 1.00 0.77 H new ATOM 0 HD2 LYS A 26 -0.629 7.720 -6.944 1.00 1.30 H new ATOM 0 HD3 LYS A 26 -0.564 6.526 -5.663 1.00 1.30 H new ATOM 0 HE2 LYS A 26 1.674 6.903 -6.663 1.00 0.89 H new ATOM 0 HE3 LYS A 26 1.152 5.243 -6.866 1.00 0.89 H new ATOM 0 HZ1 LYS A 26 2.157 6.168 -8.860 1.00 2.24 H new ATOM 0 HZ2 LYS A 26 0.545 5.705 -9.129 1.00 2.24 H new ATOM 0 HZ3 LYS A 26 0.938 7.347 -8.946 1.00 2.24 H new ATOM 387 N GLY A 27 -5.136 4.328 -5.003 1.00 0.50 N ATOM 388 CA GLY A 27 -6.464 4.170 -4.418 1.00 0.56 C ATOM 389 C GLY A 27 -6.394 4.010 -2.898 1.00 0.65 C ATOM 390 O GLY A 27 -7.313 4.391 -2.177 1.00 0.92 O ATOM 0 H GLY A 27 -4.870 3.582 -5.646 1.00 0.50 H new ATOM 0 HA2 GLY A 27 -7.077 5.037 -4.665 1.00 0.56 H new ATOM 0 HA3 GLY A 27 -6.953 3.299 -4.854 1.00 0.56 H new ATOM 394 N LEU A 28 -5.290 3.446 -2.414 1.00 0.48 N ATOM 395 CA LEU A 28 -4.989 3.265 -1.008 1.00 0.52 C ATOM 396 C LEU A 28 -4.777 4.643 -0.397 1.00 0.62 C ATOM 397 O LEU A 28 -5.471 4.998 0.551 1.00 0.79 O ATOM 398 CB LEU A 28 -3.802 2.304 -0.897 1.00 0.45 C ATOM 399 CG LEU A 28 -3.421 1.896 0.526 1.00 0.43 C ATOM 400 CD1 LEU A 28 -2.752 0.522 0.454 1.00 1.85 C ATOM 401 CD2 LEU A 28 -2.482 2.934 1.144 1.00 1.62 C ATOM 0 H LEU A 28 -4.553 3.089 -3.022 1.00 0.48 H new ATOM 0 HA LEU A 28 -5.797 2.804 -0.440 1.00 0.52 H new ATOM 0 HB2 LEU A 28 -4.031 1.403 -1.466 1.00 0.45 H new ATOM 0 HB3 LEU A 28 -2.935 2.768 -1.369 1.00 0.45 H new ATOM 0 HG LEU A 28 -4.306 1.844 1.160 1.00 0.43 H new ATOM 0 HD11 LEU A 28 -2.468 0.203 1.457 1.00 1.85 H new ATOM 0 HD12 LEU A 28 -3.448 -0.200 0.027 1.00 1.85 H new ATOM 0 HD13 LEU A 28 -1.863 0.583 -0.173 1.00 1.85 H new ATOM 0 HD21 LEU A 28 -2.220 2.630 2.157 1.00 1.62 H new ATOM 0 HD22 LEU A 28 -1.577 3.010 0.542 1.00 1.62 H new ATOM 0 HD23 LEU A 28 -2.980 3.903 1.174 1.00 1.62 H new ATOM 413 N LYS A 29 -3.871 5.446 -0.967 1.00 0.56 N ATOM 414 CA LYS A 29 -3.595 6.803 -0.508 1.00 0.68 C ATOM 415 C LYS A 29 -4.878 7.615 -0.304 1.00 0.75 C ATOM 416 O LYS A 29 -4.941 8.453 0.588 1.00 1.03 O ATOM 417 CB LYS A 29 -2.630 7.506 -1.474 1.00 0.69 C ATOM 418 CG LYS A 29 -2.236 8.910 -0.974 1.00 0.98 C ATOM 419 CD LYS A 29 -2.341 9.982 -2.074 1.00 1.24 C ATOM 420 CE LYS A 29 -1.028 10.018 -2.858 1.00 1.40 C ATOM 421 NZ LYS A 29 -1.013 10.898 -4.032 1.00 2.55 N ATOM 0 H LYS A 29 -3.306 5.165 -1.768 1.00 0.56 H new ATOM 0 HA LYS A 29 -3.115 6.734 0.468 1.00 0.68 H new ATOM 0 HB2 LYS A 29 -1.733 6.899 -1.596 1.00 0.69 H new ATOM 0 HB3 LYS A 29 -3.095 7.588 -2.456 1.00 0.69 H new ATOM 0 HG2 LYS A 29 -2.879 9.188 -0.139 1.00 0.98 H new ATOM 0 HG3 LYS A 29 -1.215 8.883 -0.595 1.00 0.98 H new ATOM 0 HD2 LYS A 29 -3.173 9.757 -2.742 1.00 1.24 H new ATOM 0 HD3 LYS A 29 -2.543 10.958 -1.632 1.00 1.24 H new ATOM 0 HE2 LYS A 29 -0.231 10.330 -2.183 1.00 1.40 H new ATOM 0 HE3 LYS A 29 -0.792 9.005 -3.183 1.00 1.40 H new ATOM 0 HZ1 LYS A 29 -0.081 10.849 -4.490 1.00 2.55 H new ATOM 0 HZ2 LYS A 29 -1.746 10.593 -4.704 1.00 2.55 H new ATOM 0 HZ3 LYS A 29 -1.202 11.877 -3.735 1.00 2.55 H new ATOM 435 N ARG A 30 -5.912 7.373 -1.110 1.00 0.60 N ATOM 436 CA ARG A 30 -7.187 8.065 -0.961 1.00 0.69 C ATOM 437 C ARG A 30 -7.824 7.940 0.441 1.00 0.63 C ATOM 438 O ARG A 30 -8.746 8.699 0.739 1.00 0.63 O ATOM 439 CB ARG A 30 -8.153 7.628 -2.078 1.00 0.84 C ATOM 440 CG ARG A 30 -8.405 8.740 -3.104 1.00 1.04 C ATOM 441 CD ARG A 30 -9.254 9.876 -2.521 1.00 1.78 C ATOM 442 NE ARG A 30 -9.542 10.894 -3.544 1.00 2.10 N ATOM 443 CZ ARG A 30 -10.238 12.021 -3.326 1.00 3.08 C ATOM 444 NH1 ARG A 30 -10.711 12.283 -2.102 1.00 4.20 N ATOM 445 NH2 ARG A 30 -10.460 12.876 -4.331 1.00 3.42 N ATOM 0 H ARG A 30 -5.888 6.699 -1.875 1.00 0.60 H new ATOM 0 HA ARG A 30 -6.977 9.130 -1.062 1.00 0.69 H new ATOM 0 HB2 ARG A 30 -7.744 6.755 -2.586 1.00 0.84 H new ATOM 0 HB3 ARG A 30 -9.102 7.324 -1.635 1.00 0.84 H new ATOM 0 HG2 ARG A 30 -7.451 9.140 -3.448 1.00 1.04 H new ATOM 0 HG3 ARG A 30 -8.908 8.322 -3.976 1.00 1.04 H new ATOM 0 HD2 ARG A 30 -10.188 9.473 -2.130 1.00 1.78 H new ATOM 0 HD3 ARG A 30 -8.729 10.335 -1.683 1.00 1.78 H new ATOM 0 HE ARG A 30 -9.187 10.732 -4.486 1.00 2.10 H new ATOM 0 HH11 ARG A 30 -10.542 11.628 -1.339 1.00 4.20 H new ATOM 0 HH12 ARG A 30 -11.240 13.138 -1.932 1.00 4.20 H new ATOM 0 HH21 ARG A 30 -10.100 12.672 -5.263 1.00 3.42 H new ATOM 0 HH22 ARG A 30 -10.989 13.732 -4.165 1.00 3.42 H new ATOM 459 N MET A 31 -7.384 7.001 1.289 1.00 0.64 N ATOM 460 CA MET A 31 -7.874 6.873 2.663 1.00 0.59 C ATOM 461 C MET A 31 -7.453 8.058 3.543 1.00 0.46 C ATOM 462 O MET A 31 -6.427 8.680 3.274 1.00 0.44 O ATOM 463 CB MET A 31 -7.362 5.554 3.263 1.00 0.68 C ATOM 464 CG MET A 31 -5.880 5.560 3.662 1.00 2.20 C ATOM 465 SD MET A 31 -5.273 4.008 4.367 1.00 3.89 S ATOM 466 CE MET A 31 -5.953 2.829 3.207 1.00 3.65 C ATOM 0 H MET A 31 -6.677 6.309 1.039 1.00 0.64 H new ATOM 0 HA MET A 31 -8.964 6.872 2.634 1.00 0.59 H new ATOM 0 HB2 MET A 31 -7.960 5.315 4.143 1.00 0.68 H new ATOM 0 HB3 MET A 31 -7.526 4.755 2.540 1.00 0.68 H new ATOM 0 HG2 MET A 31 -5.283 5.800 2.782 1.00 2.20 H new ATOM 0 HG3 MET A 31 -5.717 6.359 4.385 1.00 2.20 H new ATOM 0 HE1 MET A 31 -5.317 1.944 3.173 1.00 3.65 H new ATOM 0 HE2 MET A 31 -6.956 2.543 3.524 1.00 3.65 H new ATOM 0 HE3 MET A 31 -6.001 3.280 2.216 1.00 3.65 H new ATOM 476 N PRO A 32 -8.176 8.340 4.638 1.00 0.49 N ATOM 477 CA PRO A 32 -7.673 9.237 5.668 1.00 0.43 C ATOM 478 C PRO A 32 -6.378 8.665 6.258 1.00 0.41 C ATOM 479 O PRO A 32 -6.279 7.460 6.486 1.00 0.57 O ATOM 480 CB PRO A 32 -8.789 9.318 6.716 1.00 0.57 C ATOM 481 CG PRO A 32 -9.512 7.979 6.566 1.00 0.67 C ATOM 482 CD PRO A 32 -9.420 7.715 5.065 1.00 0.64 C ATOM 0 HA PRO A 32 -7.430 10.229 5.286 1.00 0.43 H new ATOM 0 HB2 PRO A 32 -8.388 9.448 7.721 1.00 0.57 H new ATOM 0 HB3 PRO A 32 -9.457 10.159 6.528 1.00 0.57 H new ATOM 0 HG2 PRO A 32 -9.031 7.192 7.146 1.00 0.67 H new ATOM 0 HG3 PRO A 32 -10.547 8.037 6.904 1.00 0.67 H new ATOM 0 HD2 PRO A 32 -9.415 6.646 4.854 1.00 0.64 H new ATOM 0 HD3 PRO A 32 -10.274 8.140 4.538 1.00 0.64 H new ATOM 490 N GLY A 33 -5.378 9.519 6.487 1.00 0.42 N ATOM 491 CA GLY A 33 -4.176 9.153 7.223 1.00 0.44 C ATOM 492 C GLY A 33 -2.983 8.818 6.326 1.00 0.38 C ATOM 493 O GLY A 33 -1.844 9.020 6.744 1.00 0.48 O ATOM 0 H GLY A 33 -5.384 10.486 6.164 1.00 0.42 H new ATOM 0 HA2 GLY A 33 -3.902 9.974 7.885 1.00 0.44 H new ATOM 0 HA3 GLY A 33 -4.396 8.293 7.856 1.00 0.44 H new ATOM 497 N VAL A 34 -3.203 8.320 5.101 1.00 0.36 N ATOM 498 CA VAL A 34 -2.104 8.158 4.148 1.00 0.29 C ATOM 499 C VAL A 34 -1.943 9.448 3.346 1.00 0.30 C ATOM 500 O VAL A 34 -2.942 10.015 2.910 1.00 0.51 O ATOM 501 CB VAL A 34 -2.337 6.943 3.243 1.00 0.35 C ATOM 502 CG1 VAL A 34 -1.165 6.758 2.268 1.00 0.29 C ATOM 503 CG2 VAL A 34 -2.478 5.657 4.063 1.00 0.56 C ATOM 0 H VAL A 34 -4.117 8.028 4.754 1.00 0.36 H new ATOM 0 HA VAL A 34 -1.176 7.969 4.688 1.00 0.29 H new ATOM 0 HB VAL A 34 -3.259 7.131 2.693 1.00 0.35 H new ATOM 0 HG11 VAL A 34 -1.351 5.890 1.635 1.00 0.29 H new ATOM 0 HG12 VAL A 34 -1.066 7.647 1.645 1.00 0.29 H new ATOM 0 HG13 VAL A 34 -0.244 6.606 2.831 1.00 0.29 H new ATOM 0 HG21 VAL A 34 -2.642 4.814 3.392 1.00 0.56 H new ATOM 0 HG22 VAL A 34 -1.567 5.491 4.638 1.00 0.56 H new ATOM 0 HG23 VAL A 34 -3.325 5.750 4.743 1.00 0.56 H new ATOM 513 N THR A 35 -0.699 9.902 3.135 1.00 0.28 N ATOM 514 CA THR A 35 -0.429 11.107 2.355 1.00 0.40 C ATOM 515 C THR A 35 0.188 10.749 1.001 1.00 0.47 C ATOM 516 O THR A 35 -0.225 11.329 0.000 1.00 0.60 O ATOM 517 CB THR A 35 0.357 12.147 3.180 1.00 0.57 C ATOM 518 OG1 THR A 35 -0.371 13.357 3.252 1.00 1.42 O ATOM 519 CG2 THR A 35 1.754 12.474 2.642 1.00 0.83 C ATOM 0 H THR A 35 0.138 9.446 3.499 1.00 0.28 H new ATOM 0 HA THR A 35 -1.369 11.604 2.117 1.00 0.40 H new ATOM 0 HB THR A 35 0.489 11.684 4.158 1.00 0.57 H new ATOM 0 HG1 THR A 35 0.134 14.012 3.779 1.00 1.42 H new ATOM 0 HG21 THR A 35 2.228 13.213 3.287 1.00 0.83 H new ATOM 0 HG22 THR A 35 2.358 11.567 2.624 1.00 0.83 H new ATOM 0 HG23 THR A 35 1.670 12.874 1.632 1.00 0.83 H new ATOM 527 N ASP A 36 1.117 9.783 0.942 1.00 0.44 N ATOM 528 CA ASP A 36 1.620 9.242 -0.316 1.00 0.53 C ATOM 529 C ASP A 36 1.874 7.753 -0.187 1.00 0.38 C ATOM 530 O ASP A 36 1.834 7.203 0.911 1.00 0.27 O ATOM 531 CB ASP A 36 2.822 10.027 -0.874 1.00 0.76 C ATOM 532 CG ASP A 36 2.430 10.852 -2.100 1.00 1.07 C ATOM 533 OD1 ASP A 36 1.883 10.252 -3.059 1.00 2.37 O ATOM 534 OD2 ASP A 36 2.646 12.080 -2.059 1.00 1.76 O ATOM 0 H ASP A 36 1.537 9.359 1.769 1.00 0.44 H new ATOM 0 HA ASP A 36 0.843 9.373 -1.069 1.00 0.53 H new ATOM 0 HB2 ASP A 36 3.218 10.686 -0.102 1.00 0.76 H new ATOM 0 HB3 ASP A 36 3.619 9.333 -1.140 1.00 0.76 H new ATOM 539 N ALA A 37 2.054 7.088 -1.325 1.00 0.44 N ATOM 540 CA ALA A 37 2.310 5.658 -1.388 1.00 0.35 C ATOM 541 C ALA A 37 2.991 5.305 -2.709 1.00 0.42 C ATOM 542 O ALA A 37 2.775 5.991 -3.710 1.00 0.51 O ATOM 543 CB ALA A 37 1.009 4.886 -1.160 1.00 0.50 C ATOM 0 H ALA A 37 2.025 7.537 -2.241 1.00 0.44 H new ATOM 0 HA ALA A 37 2.996 5.365 -0.593 1.00 0.35 H new ATOM 0 HB1 ALA A 37 1.208 3.815 -1.209 1.00 0.50 H new ATOM 0 HB2 ALA A 37 0.605 5.136 -0.179 1.00 0.50 H new ATOM 0 HB3 ALA A 37 0.286 5.156 -1.930 1.00 0.50 H new ATOM 549 N ASN A 38 3.851 4.281 -2.707 1.00 0.38 N ATOM 550 CA ASN A 38 4.821 4.054 -3.774 1.00 0.44 C ATOM 551 C ASN A 38 5.183 2.572 -3.765 1.00 0.34 C ATOM 552 O ASN A 38 5.727 2.073 -2.779 1.00 0.32 O ATOM 553 CB ASN A 38 6.112 4.885 -3.594 1.00 0.49 C ATOM 554 CG ASN A 38 6.226 5.676 -2.292 1.00 0.45 C ATOM 555 OD1 ASN A 38 6.400 6.889 -2.305 1.00 0.53 O ATOM 556 ND2 ASN A 38 6.139 4.998 -1.151 1.00 0.45 N ATOM 0 H ASN A 38 3.891 3.586 -1.961 1.00 0.38 H new ATOM 0 HA ASN A 38 4.370 4.362 -4.717 1.00 0.44 H new ATOM 0 HB2 ASN A 38 6.966 4.211 -3.662 1.00 0.49 H new ATOM 0 HB3 ASN A 38 6.190 5.583 -4.427 1.00 0.49 H new ATOM 0 HD21 ASN A 38 6.217 5.488 -0.260 1.00 0.45 H new ATOM 0 HD22 ASN A 38 5.994 3.989 -1.167 1.00 0.45 H new ATOM 563 N VAL A 39 4.898 1.873 -4.862 1.00 0.35 N ATOM 564 CA VAL A 39 5.128 0.447 -4.973 1.00 0.31 C ATOM 565 C VAL A 39 6.535 0.178 -5.516 1.00 0.32 C ATOM 566 O VAL A 39 6.787 0.285 -6.715 1.00 0.65 O ATOM 567 CB VAL A 39 3.974 -0.179 -5.774 1.00 0.40 C ATOM 568 CG1 VAL A 39 3.952 0.177 -7.267 1.00 0.59 C ATOM 569 CG2 VAL A 39 3.927 -1.693 -5.580 1.00 0.52 C ATOM 0 H VAL A 39 4.498 2.291 -5.702 1.00 0.35 H new ATOM 0 HA VAL A 39 5.117 -0.043 -3.999 1.00 0.31 H new ATOM 0 HB VAL A 39 3.072 0.272 -5.359 1.00 0.40 H new ATOM 0 HG11 VAL A 39 3.103 -0.311 -7.745 1.00 0.59 H new ATOM 0 HG12 VAL A 39 3.861 1.257 -7.382 1.00 0.59 H new ATOM 0 HG13 VAL A 39 4.876 -0.162 -7.735 1.00 0.59 H new ATOM 0 HG21 VAL A 39 3.101 -2.108 -6.158 1.00 0.52 H new ATOM 0 HG22 VAL A 39 4.865 -2.133 -5.919 1.00 0.52 H new ATOM 0 HG23 VAL A 39 3.781 -1.920 -4.524 1.00 0.52 H new ATOM 579 N ASN A 40 7.485 -0.179 -4.648 1.00 0.27 N ATOM 580 CA ASN A 40 8.854 -0.465 -5.064 1.00 0.27 C ATOM 581 C ASN A 40 8.945 -1.920 -5.540 1.00 0.28 C ATOM 582 O ASN A 40 9.744 -2.731 -5.059 1.00 0.29 O ATOM 583 CB ASN A 40 9.805 -0.155 -3.902 1.00 0.29 C ATOM 584 CG ASN A 40 11.265 -0.155 -4.341 1.00 0.35 C ATOM 585 OD1 ASN A 40 11.587 -0.408 -5.498 1.00 0.50 O ATOM 586 ND2 ASN A 40 12.172 0.141 -3.414 1.00 0.60 N ATOM 0 H ASN A 40 7.326 -0.277 -3.645 1.00 0.27 H new ATOM 0 HA ASN A 40 9.150 0.165 -5.903 1.00 0.27 H new ATOM 0 HB2 ASN A 40 9.554 0.817 -3.478 1.00 0.29 H new ATOM 0 HB3 ASN A 40 9.664 -0.893 -3.112 1.00 0.29 H new ATOM 0 HD21 ASN A 40 13.162 0.162 -3.658 1.00 0.60 H new ATOM 0 HD22 ASN A 40 11.877 0.347 -2.460 1.00 0.60 H new ATOM 593 N LEU A 41 8.109 -2.249 -6.528 1.00 0.33 N ATOM 594 CA LEU A 41 7.982 -3.605 -7.046 1.00 0.42 C ATOM 595 C LEU A 41 9.253 -4.003 -7.798 1.00 0.49 C ATOM 596 O LEU A 41 9.556 -5.186 -7.917 1.00 0.61 O ATOM 597 CB LEU A 41 6.698 -3.732 -7.888 1.00 0.52 C ATOM 598 CG LEU A 41 5.746 -4.868 -7.467 1.00 0.64 C ATOM 599 CD1 LEU A 41 6.232 -6.227 -7.982 1.00 0.88 C ATOM 600 CD2 LEU A 41 5.494 -4.958 -5.954 1.00 1.11 C ATOM 0 H LEU A 41 7.499 -1.575 -6.991 1.00 0.33 H new ATOM 0 HA LEU A 41 7.880 -4.313 -6.224 1.00 0.42 H new ATOM 0 HB2 LEU A 41 6.155 -2.788 -7.838 1.00 0.52 H new ATOM 0 HB3 LEU A 41 6.980 -3.883 -8.930 1.00 0.52 H new ATOM 0 HG LEU A 41 4.794 -4.611 -7.931 1.00 0.64 H new ATOM 0 HD11 LEU A 41 5.537 -7.005 -7.667 1.00 0.88 H new ATOM 0 HD12 LEU A 41 6.284 -6.206 -9.071 1.00 0.88 H new ATOM 0 HD13 LEU A 41 7.221 -6.438 -7.576 1.00 0.88 H new ATOM 0 HD21 LEU A 41 4.814 -5.784 -5.747 1.00 1.11 H new ATOM 0 HD22 LEU A 41 6.439 -5.128 -5.437 1.00 1.11 H new ATOM 0 HD23 LEU A 41 5.051 -4.026 -5.603 1.00 1.11 H new ATOM 612 N ALA A 42 10.046 -3.012 -8.219 1.00 0.46 N ATOM 613 CA ALA A 42 11.408 -3.205 -8.696 1.00 0.52 C ATOM 614 C ALA A 42 12.228 -4.110 -7.769 1.00 0.55 C ATOM 615 O ALA A 42 13.041 -4.885 -8.266 1.00 0.68 O ATOM 616 CB ALA A 42 12.097 -1.849 -8.847 1.00 0.47 C ATOM 0 H ALA A 42 9.748 -2.037 -8.236 1.00 0.46 H new ATOM 0 HA ALA A 42 11.350 -3.704 -9.664 1.00 0.52 H new ATOM 0 HB1 ALA A 42 13.116 -1.997 -9.204 1.00 0.47 H new ATOM 0 HB2 ALA A 42 11.546 -1.239 -9.563 1.00 0.47 H new ATOM 0 HB3 ALA A 42 12.120 -1.343 -7.882 1.00 0.47 H new ATOM 622 N THR A 43 12.032 -4.016 -6.445 1.00 0.51 N ATOM 623 CA THR A 43 12.674 -4.922 -5.491 1.00 0.67 C ATOM 624 C THR A 43 11.640 -5.780 -4.755 1.00 0.78 C ATOM 625 O THR A 43 11.922 -6.272 -3.664 1.00 1.36 O ATOM 626 CB THR A 43 13.600 -4.145 -4.540 1.00 0.75 C ATOM 627 OG1 THR A 43 14.372 -5.046 -3.774 1.00 0.92 O ATOM 628 CG2 THR A 43 12.850 -3.223 -3.578 1.00 0.78 C ATOM 0 H THR A 43 11.429 -3.316 -6.012 1.00 0.51 H new ATOM 0 HA THR A 43 13.305 -5.618 -6.043 1.00 0.67 H new ATOM 0 HB THR A 43 14.229 -3.523 -5.177 1.00 0.75 H new ATOM 0 HG1 THR A 43 13.801 -5.774 -3.452 1.00 0.92 H new ATOM 0 HG21 THR A 43 13.565 -2.707 -2.937 1.00 0.78 H new ATOM 0 HG22 THR A 43 12.278 -2.490 -4.148 1.00 0.78 H new ATOM 0 HG23 THR A 43 12.172 -3.814 -2.962 1.00 0.78 H new ATOM 636 N GLU A 44 10.459 -5.975 -5.353 1.00 0.47 N ATOM 637 CA GLU A 44 9.370 -6.757 -4.787 1.00 0.53 C ATOM 638 C GLU A 44 8.959 -6.281 -3.389 1.00 0.57 C ATOM 639 O GLU A 44 8.865 -7.051 -2.433 1.00 0.93 O ATOM 640 CB GLU A 44 9.716 -8.248 -4.838 1.00 0.59 C ATOM 641 CG GLU A 44 8.535 -9.067 -5.368 1.00 1.39 C ATOM 642 CD GLU A 44 8.730 -10.546 -5.085 1.00 2.16 C ATOM 643 OE1 GLU A 44 8.308 -10.955 -3.981 1.00 3.55 O ATOM 644 OE2 GLU A 44 9.298 -11.229 -5.963 1.00 2.21 O ATOM 0 H GLU A 44 10.235 -5.581 -6.267 1.00 0.47 H new ATOM 0 HA GLU A 44 8.484 -6.599 -5.402 1.00 0.53 H new ATOM 0 HB2 GLU A 44 10.586 -8.402 -5.477 1.00 0.59 H new ATOM 0 HB3 GLU A 44 9.987 -8.597 -3.841 1.00 0.59 H new ATOM 0 HG2 GLU A 44 7.611 -8.723 -4.903 1.00 1.39 H new ATOM 0 HG3 GLU A 44 8.430 -8.909 -6.441 1.00 1.39 H new ATOM 651 N THR A 45 8.720 -4.986 -3.234 1.00 0.34 N ATOM 652 CA THR A 45 8.302 -4.412 -1.976 1.00 0.34 C ATOM 653 C THR A 45 7.348 -3.247 -2.251 1.00 0.25 C ATOM 654 O THR A 45 7.403 -2.649 -3.319 1.00 0.32 O ATOM 655 CB THR A 45 9.576 -3.980 -1.242 1.00 0.49 C ATOM 656 OG1 THR A 45 10.572 -4.981 -1.304 1.00 0.73 O ATOM 657 CG2 THR A 45 9.270 -3.775 0.224 1.00 0.77 C ATOM 0 H THR A 45 8.813 -4.305 -3.987 1.00 0.34 H new ATOM 0 HA THR A 45 7.757 -5.119 -1.350 1.00 0.34 H new ATOM 0 HB THR A 45 9.928 -3.066 -1.720 1.00 0.49 H new ATOM 0 HG1 THR A 45 11.373 -4.676 -0.828 1.00 0.73 H new ATOM 0 HG21 THR A 45 10.177 -3.468 0.745 1.00 0.77 H new ATOM 0 HG22 THR A 45 8.509 -3.002 0.332 1.00 0.77 H new ATOM 0 HG23 THR A 45 8.903 -4.707 0.653 1.00 0.77 H new ATOM 665 N VAL A 46 6.468 -2.911 -1.308 1.00 0.30 N ATOM 666 CA VAL A 46 5.637 -1.715 -1.375 1.00 0.24 C ATOM 667 C VAL A 46 5.989 -0.816 -0.195 1.00 0.21 C ATOM 668 O VAL A 46 6.303 -1.329 0.881 1.00 0.22 O ATOM 669 CB VAL A 46 4.150 -2.100 -1.428 1.00 0.25 C ATOM 670 CG1 VAL A 46 3.700 -2.947 -0.238 1.00 0.39 C ATOM 671 CG2 VAL A 46 3.246 -0.870 -1.474 1.00 0.34 C ATOM 0 H VAL A 46 6.312 -3.469 -0.468 1.00 0.30 H new ATOM 0 HA VAL A 46 5.831 -1.155 -2.290 1.00 0.24 H new ATOM 0 HB VAL A 46 4.055 -2.686 -2.342 1.00 0.25 H new ATOM 0 HG11 VAL A 46 2.641 -3.183 -0.339 1.00 0.39 H new ATOM 0 HG12 VAL A 46 4.277 -3.872 -0.211 1.00 0.39 H new ATOM 0 HG13 VAL A 46 3.861 -2.391 0.686 1.00 0.39 H new ATOM 0 HG21 VAL A 46 2.203 -1.186 -1.511 1.00 0.34 H new ATOM 0 HG22 VAL A 46 3.410 -0.264 -0.583 1.00 0.34 H new ATOM 0 HG23 VAL A 46 3.478 -0.281 -2.361 1.00 0.34 H new ATOM 681 N ASN A 47 5.957 0.508 -0.407 1.00 0.20 N ATOM 682 CA ASN A 47 6.202 1.506 0.619 1.00 0.21 C ATOM 683 C ASN A 47 5.005 2.443 0.664 1.00 0.23 C ATOM 684 O ASN A 47 4.455 2.782 -0.384 1.00 0.39 O ATOM 685 CB ASN A 47 7.471 2.308 0.303 1.00 0.24 C ATOM 686 CG ASN A 47 8.753 1.557 0.632 1.00 0.27 C ATOM 687 OD1 ASN A 47 9.511 1.180 -0.258 1.00 0.31 O ATOM 688 ND2 ASN A 47 9.028 1.370 1.917 1.00 0.29 N ATOM 0 H ASN A 47 5.755 0.913 -1.321 1.00 0.20 H new ATOM 0 HA ASN A 47 6.342 1.014 1.581 1.00 0.21 H new ATOM 0 HB2 ASN A 47 7.473 2.571 -0.755 1.00 0.24 H new ATOM 0 HB3 ASN A 47 7.451 3.243 0.863 1.00 0.24 H new ATOM 0 HD21 ASN A 47 9.891 0.901 2.191 1.00 0.29 H new ATOM 0 HD22 ASN A 47 8.376 1.696 2.631 1.00 0.29 H new ATOM 695 N VAL A 48 4.611 2.892 1.856 1.00 0.20 N ATOM 696 CA VAL A 48 3.424 3.704 2.048 1.00 0.20 C ATOM 697 C VAL A 48 3.781 4.771 3.077 1.00 0.23 C ATOM 698 O VAL A 48 4.390 4.448 4.098 1.00 0.29 O ATOM 699 CB VAL A 48 2.221 2.811 2.398 1.00 0.24 C ATOM 700 CG1 VAL A 48 2.494 1.875 3.582 1.00 1.78 C ATOM 701 CG2 VAL A 48 0.957 3.650 2.617 1.00 1.63 C ATOM 0 H VAL A 48 5.117 2.696 2.720 1.00 0.20 H new ATOM 0 HA VAL A 48 3.106 4.222 1.143 1.00 0.20 H new ATOM 0 HB VAL A 48 2.052 2.163 1.538 1.00 0.24 H new ATOM 0 HG11 VAL A 48 1.608 1.271 3.780 1.00 1.78 H new ATOM 0 HG12 VAL A 48 3.333 1.221 3.343 1.00 1.78 H new ATOM 0 HG13 VAL A 48 2.735 2.466 4.465 1.00 1.78 H new ATOM 0 HG21 VAL A 48 0.122 2.993 2.863 1.00 1.63 H new ATOM 0 HG22 VAL A 48 1.122 4.349 3.437 1.00 1.63 H new ATOM 0 HG23 VAL A 48 0.726 4.205 1.707 1.00 1.63 H new ATOM 711 N ILE A 49 3.490 6.032 2.740 1.00 0.25 N ATOM 712 CA ILE A 49 3.956 7.228 3.422 1.00 0.35 C ATOM 713 C ILE A 49 2.759 7.837 4.168 1.00 0.32 C ATOM 714 O ILE A 49 2.004 8.654 3.617 1.00 0.35 O ATOM 715 CB ILE A 49 4.576 8.223 2.413 1.00 0.48 C ATOM 716 CG1 ILE A 49 5.496 7.577 1.360 1.00 0.63 C ATOM 717 CG2 ILE A 49 5.323 9.334 3.163 1.00 0.62 C ATOM 718 CD1 ILE A 49 6.685 6.814 1.947 1.00 0.52 C ATOM 0 H ILE A 49 2.892 6.249 1.943 1.00 0.25 H new ATOM 0 HA ILE A 49 4.742 6.984 4.137 1.00 0.35 H new ATOM 0 HB ILE A 49 3.739 8.638 1.852 1.00 0.48 H new ATOM 0 HG12 ILE A 49 4.906 6.893 0.749 1.00 0.63 H new ATOM 0 HG13 ILE A 49 5.871 8.355 0.695 1.00 0.63 H new ATOM 0 HG21 ILE A 49 5.756 10.030 2.445 1.00 0.62 H new ATOM 0 HG22 ILE A 49 4.627 9.867 3.811 1.00 0.62 H new ATOM 0 HG23 ILE A 49 6.117 8.895 3.767 1.00 0.62 H new ATOM 0 HD11 ILE A 49 7.281 6.391 1.138 1.00 0.52 H new ATOM 0 HD12 ILE A 49 7.301 7.496 2.533 1.00 0.52 H new ATOM 0 HD13 ILE A 49 6.321 6.011 2.588 1.00 0.52 H new ATOM 730 N TYR A 50 2.552 7.404 5.413 1.00 0.32 N ATOM 731 CA TYR A 50 1.324 7.683 6.150 1.00 0.29 C ATOM 732 C TYR A 50 1.601 8.070 7.584 1.00 0.27 C ATOM 733 O TYR A 50 2.737 7.957 8.042 1.00 0.32 O ATOM 734 CB TYR A 50 0.408 6.462 6.112 1.00 0.31 C ATOM 735 CG TYR A 50 0.823 5.275 6.955 1.00 0.30 C ATOM 736 CD1 TYR A 50 1.617 4.256 6.406 1.00 1.57 C ATOM 737 CD2 TYR A 50 0.285 5.113 8.245 1.00 1.60 C ATOM 738 CE1 TYR A 50 1.747 3.028 7.076 1.00 1.55 C ATOM 739 CE2 TYR A 50 0.520 3.932 8.963 1.00 1.64 C ATOM 740 CZ TYR A 50 1.190 2.863 8.354 1.00 0.43 C ATOM 741 OH TYR A 50 1.312 1.676 9.017 1.00 0.54 O ATOM 0 H TYR A 50 3.231 6.851 5.936 1.00 0.32 H new ATOM 0 HA TYR A 50 0.835 8.529 5.667 1.00 0.29 H new ATOM 0 HB2 TYR A 50 -0.587 6.773 6.429 1.00 0.31 H new ATOM 0 HB3 TYR A 50 0.324 6.132 5.077 1.00 0.31 H new ATOM 0 HD1 TYR A 50 2.128 4.416 5.468 1.00 1.57 H new ATOM 0 HD2 TYR A 50 -0.310 5.900 8.683 1.00 1.60 H new ATOM 0 HE1 TYR A 50 2.276 2.211 6.608 1.00 1.55 H new ATOM 0 HE2 TYR A 50 0.184 3.846 9.986 1.00 1.64 H new ATOM 0 HH TYR A 50 1.325 1.841 9.983 1.00 0.54 H new ATOM 751 N ASP A 51 0.535 8.481 8.271 1.00 0.26 N ATOM 752 CA ASP A 51 0.584 8.910 9.659 1.00 0.31 C ATOM 753 C ASP A 51 0.274 7.735 10.585 1.00 0.39 C ATOM 754 O ASP A 51 -0.898 7.363 10.706 1.00 0.44 O ATOM 755 CB ASP A 51 -0.397 10.069 9.887 1.00 0.40 C ATOM 756 CG ASP A 51 -0.345 10.593 11.318 1.00 1.77 C ATOM 757 OD1 ASP A 51 0.314 9.940 12.158 1.00 3.08 O ATOM 758 OD2 ASP A 51 -0.988 11.636 11.562 1.00 2.84 O ATOM 0 H ASP A 51 -0.401 8.524 7.867 1.00 0.26 H new ATOM 0 HA ASP A 51 1.589 9.265 9.889 1.00 0.31 H new ATOM 0 HB2 ASP A 51 -0.166 10.880 9.196 1.00 0.40 H new ATOM 0 HB3 ASP A 51 -1.410 9.736 9.660 1.00 0.40 H new ATOM 763 N PRO A 52 1.277 7.146 11.263 1.00 0.50 N ATOM 764 CA PRO A 52 1.050 6.019 12.144 1.00 0.57 C ATOM 765 C PRO A 52 0.368 6.429 13.456 1.00 0.71 C ATOM 766 O PRO A 52 0.169 5.568 14.311 1.00 0.76 O ATOM 767 CB PRO A 52 2.424 5.384 12.359 1.00 0.69 C ATOM 768 CG PRO A 52 3.339 6.610 12.335 1.00 0.75 C ATOM 769 CD PRO A 52 2.686 7.510 11.280 1.00 0.58 C ATOM 0 HA PRO A 52 0.356 5.303 11.704 1.00 0.57 H new ATOM 0 HB2 PRO A 52 2.483 4.847 13.306 1.00 0.69 H new ATOM 0 HB3 PRO A 52 2.673 4.672 11.573 1.00 0.69 H new ATOM 0 HG2 PRO A 52 3.385 7.098 13.309 1.00 0.75 H new ATOM 0 HG3 PRO A 52 4.361 6.345 12.063 1.00 0.75 H new ATOM 0 HD2 PRO A 52 2.815 8.563 11.531 1.00 0.58 H new ATOM 0 HD3 PRO A 52 3.141 7.358 10.301 1.00 0.58 H new ATOM 777 N ALA A 53 -0.003 7.705 13.645 1.00 0.83 N ATOM 778 CA ALA A 53 -0.907 8.085 14.710 1.00 0.97 C ATOM 779 C ALA A 53 -2.344 7.837 14.261 1.00 0.92 C ATOM 780 O ALA A 53 -3.203 7.608 15.111 1.00 1.07 O ATOM 781 CB ALA A 53 -0.720 9.567 15.045 1.00 1.06 C ATOM 0 H ALA A 53 0.317 8.482 13.067 1.00 0.83 H new ATOM 0 HA ALA A 53 -0.693 7.490 15.598 1.00 0.97 H new ATOM 0 HB1 ALA A 53 -1.403 9.848 15.847 1.00 1.06 H new ATOM 0 HB2 ALA A 53 0.307 9.741 15.365 1.00 1.06 H new ATOM 0 HB3 ALA A 53 -0.931 10.169 14.161 1.00 1.06 H new ATOM 787 N GLU A 54 -2.612 7.930 12.948 1.00 0.77 N ATOM 788 CA GLU A 54 -3.966 8.004 12.424 1.00 0.78 C ATOM 789 C GLU A 54 -4.337 6.695 11.725 1.00 0.63 C ATOM 790 O GLU A 54 -5.313 6.041 12.091 1.00 0.74 O ATOM 791 CB GLU A 54 -4.145 9.244 11.531 1.00 0.82 C ATOM 792 CG GLU A 54 -5.603 9.725 11.601 1.00 0.82 C ATOM 793 CD GLU A 54 -5.893 10.864 10.631 1.00 1.47 C ATOM 794 OE1 GLU A 54 -5.924 10.574 9.415 1.00 2.52 O ATOM 795 OE2 GLU A 54 -6.106 11.993 11.121 1.00 2.39 O ATOM 0 H GLU A 54 -1.889 7.955 12.229 1.00 0.77 H new ATOM 0 HA GLU A 54 -4.665 8.127 13.251 1.00 0.78 H new ATOM 0 HB2 GLU A 54 -3.474 10.039 11.856 1.00 0.82 H new ATOM 0 HB3 GLU A 54 -3.880 9.004 10.501 1.00 0.82 H new ATOM 0 HG2 GLU A 54 -6.268 8.889 11.383 1.00 0.82 H new ATOM 0 HG3 GLU A 54 -5.825 10.053 12.617 1.00 0.82 H new ATOM 802 N THR A 55 -3.527 6.295 10.742 1.00 0.46 N ATOM 803 CA THR A 55 -3.462 4.928 10.249 1.00 0.40 C ATOM 804 C THR A 55 -2.468 4.051 10.980 1.00 0.33 C ATOM 805 O THR A 55 -1.775 4.449 11.908 1.00 0.52 O ATOM 806 CB THR A 55 -3.405 4.811 8.708 1.00 0.42 C ATOM 807 OG1 THR A 55 -2.826 5.977 8.163 1.00 0.45 O ATOM 808 CG2 THR A 55 -4.819 4.703 8.147 1.00 0.52 C ATOM 0 H THR A 55 -2.888 6.928 10.261 1.00 0.46 H new ATOM 0 HA THR A 55 -4.431 4.503 10.510 1.00 0.40 H new ATOM 0 HB THR A 55 -2.818 3.930 8.451 1.00 0.42 H new ATOM 0 HG1 THR A 55 -1.879 5.814 7.973 1.00 0.45 H new ATOM 0 HG21 THR A 55 -4.774 4.621 7.061 1.00 0.52 H new ATOM 0 HG22 THR A 55 -5.307 3.819 8.558 1.00 0.52 H new ATOM 0 HG23 THR A 55 -5.388 5.592 8.420 1.00 0.52 H new ATOM 816 N GLY A 56 -2.478 2.803 10.535 1.00 0.54 N ATOM 817 CA GLY A 56 -1.625 1.716 10.913 1.00 0.53 C ATOM 818 C GLY A 56 -1.751 0.732 9.760 1.00 1.05 C ATOM 819 O GLY A 56 -1.793 1.116 8.594 1.00 2.54 O ATOM 0 H GLY A 56 -3.156 2.511 9.831 1.00 0.54 H new ATOM 0 HA2 GLY A 56 -0.594 2.045 11.046 1.00 0.53 H new ATOM 0 HA3 GLY A 56 -1.941 1.269 11.856 1.00 0.53 H new ATOM 823 N THR A 57 -1.893 -0.536 10.096 1.00 0.51 N ATOM 824 CA THR A 57 -2.074 -1.657 9.204 1.00 0.71 C ATOM 825 C THR A 57 -3.516 -1.679 8.686 1.00 0.43 C ATOM 826 O THR A 57 -3.778 -2.064 7.547 1.00 0.46 O ATOM 827 CB THR A 57 -1.714 -2.883 10.047 1.00 1.14 C ATOM 828 OG1 THR A 57 -2.427 -2.795 11.269 1.00 1.32 O ATOM 829 CG2 THR A 57 -0.211 -2.847 10.376 1.00 1.36 C ATOM 0 H THR A 57 -1.884 -0.827 11.074 1.00 0.51 H new ATOM 0 HA THR A 57 -1.450 -1.615 8.311 1.00 0.71 H new ATOM 0 HB THR A 57 -1.960 -3.797 9.506 1.00 1.14 H new ATOM 0 HG1 THR A 57 -2.215 -3.571 11.828 1.00 1.32 H new ATOM 0 HG21 THR A 57 0.051 -3.718 10.976 1.00 1.36 H new ATOM 0 HG22 THR A 57 0.364 -2.858 9.450 1.00 1.36 H new ATOM 0 HG23 THR A 57 0.018 -1.939 10.935 1.00 1.36 H new ATOM 837 N ALA A 58 -4.444 -1.278 9.562 1.00 0.38 N ATOM 838 CA ALA A 58 -5.873 -1.486 9.429 1.00 0.43 C ATOM 839 C ALA A 58 -6.431 -1.080 8.077 1.00 0.41 C ATOM 840 O ALA A 58 -6.942 -1.898 7.309 1.00 0.42 O ATOM 841 CB ALA A 58 -6.599 -0.769 10.574 1.00 0.55 C ATOM 0 H ALA A 58 -4.199 -0.779 10.417 1.00 0.38 H new ATOM 0 HA ALA A 58 -6.050 -2.560 9.493 1.00 0.43 H new ATOM 0 HB1 ALA A 58 -7.674 -0.924 10.477 1.00 0.55 H new ATOM 0 HB2 ALA A 58 -6.259 -1.171 11.528 1.00 0.55 H new ATOM 0 HB3 ALA A 58 -6.381 0.298 10.532 1.00 0.55 H new ATOM 847 N ALA A 59 -6.309 0.211 7.792 1.00 0.41 N ATOM 848 CA ALA A 59 -7.021 0.778 6.652 1.00 0.39 C ATOM 849 C ALA A 59 -6.359 0.281 5.374 1.00 0.34 C ATOM 850 O ALA A 59 -7.003 0.028 4.359 1.00 0.33 O ATOM 851 CB ALA A 59 -7.029 2.300 6.744 1.00 0.44 C ATOM 0 H ALA A 59 -5.739 0.872 8.320 1.00 0.41 H new ATOM 0 HA ALA A 59 -8.063 0.457 6.649 1.00 0.39 H new ATOM 0 HB1 ALA A 59 -7.563 2.713 5.888 1.00 0.44 H new ATOM 0 HB2 ALA A 59 -7.526 2.606 7.664 1.00 0.44 H new ATOM 0 HB3 ALA A 59 -6.004 2.670 6.745 1.00 0.44 H new ATOM 857 N ILE A 60 -5.039 0.137 5.463 1.00 0.36 N ATOM 858 CA ILE A 60 -4.182 -0.444 4.461 1.00 0.35 C ATOM 859 C ILE A 60 -4.658 -1.834 4.070 1.00 0.33 C ATOM 860 O ILE A 60 -4.948 -2.035 2.896 1.00 0.32 O ATOM 861 CB ILE A 60 -2.738 -0.309 4.971 1.00 0.39 C ATOM 862 CG1 ILE A 60 -2.282 1.065 4.480 1.00 0.38 C ATOM 863 CG2 ILE A 60 -1.784 -1.387 4.458 1.00 0.46 C ATOM 864 CD1 ILE A 60 -1.160 1.684 5.316 1.00 1.32 C ATOM 0 H ILE A 60 -4.521 0.443 6.286 1.00 0.36 H new ATOM 0 HA ILE A 60 -4.221 0.081 3.506 1.00 0.35 H new ATOM 0 HB ILE A 60 -2.720 -0.425 6.055 1.00 0.39 H new ATOM 0 HG12 ILE A 60 -1.945 0.977 3.447 1.00 0.38 H new ATOM 0 HG13 ILE A 60 -3.137 1.741 4.480 1.00 0.38 H new ATOM 0 HG21 ILE A 60 -0.788 -1.216 4.867 1.00 0.46 H new ATOM 0 HG22 ILE A 60 -2.141 -2.368 4.771 1.00 0.46 H new ATOM 0 HG23 ILE A 60 -1.741 -1.347 3.370 1.00 0.46 H new ATOM 0 HD11 ILE A 60 -0.893 2.657 4.903 1.00 1.32 H new ATOM 0 HD12 ILE A 60 -1.498 1.806 6.345 1.00 1.32 H new ATOM 0 HD13 ILE A 60 -0.288 1.030 5.296 1.00 1.32 H new ATOM 876 N GLN A 61 -4.787 -2.780 5.006 1.00 0.34 N ATOM 877 CA GLN A 61 -5.238 -4.120 4.638 1.00 0.33 C ATOM 878 C GLN A 61 -6.648 -4.040 4.018 1.00 0.31 C ATOM 879 O GLN A 61 -6.907 -4.646 2.979 1.00 0.32 O ATOM 880 CB GLN A 61 -5.214 -5.070 5.844 1.00 0.47 C ATOM 881 CG GLN A 61 -4.223 -6.241 5.722 1.00 0.46 C ATOM 882 CD GLN A 61 -2.860 -5.955 6.352 1.00 0.65 C ATOM 883 OE1 GLN A 61 -2.378 -4.720 6.273 1.00 1.09 O flip ATOM 884 NE2 GLN A 61 -2.241 -6.840 6.933 1.00 0.86 N flip ATOM 0 H GLN A 61 -4.591 -2.646 5.998 1.00 0.34 H new ATOM 0 HA GLN A 61 -4.550 -4.528 3.897 1.00 0.33 H new ATOM 0 HB2 GLN A 61 -4.968 -4.495 6.737 1.00 0.47 H new ATOM 0 HB3 GLN A 61 -6.216 -5.474 5.991 1.00 0.47 H new ATOM 0 HG2 GLN A 61 -4.655 -7.123 6.195 1.00 0.46 H new ATOM 0 HG3 GLN A 61 -4.084 -6.481 4.668 1.00 0.46 H new ATOM 0 HE21 GLN A 61 -2.627 -7.783 6.984 1.00 0.86 H new ATOM 0 HE22 GLN A 61 -1.341 -6.633 7.365 1.00 0.86 H new ATOM 893 N GLU A 62 -7.550 -3.270 4.644 1.00 0.33 N ATOM 894 CA GLU A 62 -8.898 -3.051 4.128 1.00 0.37 C ATOM 895 C GLU A 62 -8.887 -2.645 2.651 1.00 0.37 C ATOM 896 O GLU A 62 -9.490 -3.302 1.800 1.00 0.42 O ATOM 897 CB GLU A 62 -9.604 -1.981 4.972 1.00 0.38 C ATOM 898 CG GLU A 62 -10.389 -2.577 6.143 1.00 0.50 C ATOM 899 CD GLU A 62 -11.154 -1.483 6.879 1.00 1.98 C ATOM 900 OE1 GLU A 62 -11.890 -0.749 6.183 1.00 2.67 O ATOM 901 OE2 GLU A 62 -10.974 -1.388 8.111 1.00 3.24 O ATOM 0 H GLU A 62 -7.360 -2.785 5.521 1.00 0.33 H new ATOM 0 HA GLU A 62 -9.443 -3.992 4.199 1.00 0.37 H new ATOM 0 HB2 GLU A 62 -8.863 -1.279 5.356 1.00 0.38 H new ATOM 0 HB3 GLU A 62 -10.283 -1.412 4.337 1.00 0.38 H new ATOM 0 HG2 GLU A 62 -11.084 -3.333 5.777 1.00 0.50 H new ATOM 0 HG3 GLU A 62 -9.707 -3.078 6.830 1.00 0.50 H new ATOM 908 N LYS A 63 -8.222 -1.535 2.338 1.00 0.34 N ATOM 909 CA LYS A 63 -8.138 -1.030 0.995 1.00 0.38 C ATOM 910 C LYS A 63 -7.402 -2.008 0.086 1.00 0.33 C ATOM 911 O LYS A 63 -7.837 -2.195 -1.045 1.00 0.37 O ATOM 912 CB LYS A 63 -7.476 0.342 1.034 1.00 0.40 C ATOM 913 CG LYS A 63 -8.440 1.492 1.372 1.00 0.51 C ATOM 914 CD LYS A 63 -9.511 1.811 0.314 1.00 0.61 C ATOM 915 CE LYS A 63 -10.901 1.238 0.647 1.00 1.74 C ATOM 916 NZ LYS A 63 -11.971 1.934 -0.097 1.00 2.20 N ATOM 0 H LYS A 63 -7.727 -0.966 3.024 1.00 0.34 H new ATOM 0 HA LYS A 63 -9.137 -0.922 0.572 1.00 0.38 H new ATOM 0 HB2 LYS A 63 -6.673 0.326 1.771 1.00 0.40 H new ATOM 0 HB3 LYS A 63 -7.016 0.540 0.066 1.00 0.40 H new ATOM 0 HG2 LYS A 63 -8.944 1.253 2.309 1.00 0.51 H new ATOM 0 HG3 LYS A 63 -7.852 2.393 1.547 1.00 0.51 H new ATOM 0 HD2 LYS A 63 -9.590 2.893 0.205 1.00 0.61 H new ATOM 0 HD3 LYS A 63 -9.186 1.417 -0.649 1.00 0.61 H new ATOM 0 HE2 LYS A 63 -10.923 0.175 0.407 1.00 1.74 H new ATOM 0 HE3 LYS A 63 -11.085 1.327 1.718 1.00 1.74 H new ATOM 0 HZ1 LYS A 63 -12.892 1.521 0.153 1.00 2.20 H new ATOM 0 HZ2 LYS A 63 -11.966 2.944 0.151 1.00 2.20 H new ATOM 0 HZ3 LYS A 63 -11.809 1.827 -1.119 1.00 2.20 H new ATOM 930 N ILE A 64 -6.322 -2.635 0.561 1.00 0.27 N ATOM 931 CA ILE A 64 -5.567 -3.630 -0.177 1.00 0.23 C ATOM 932 C ILE A 64 -6.554 -4.661 -0.754 1.00 0.27 C ATOM 933 O ILE A 64 -6.603 -4.887 -1.964 1.00 0.30 O ATOM 934 CB ILE A 64 -4.526 -4.244 0.772 1.00 0.23 C ATOM 935 CG1 ILE A 64 -3.205 -3.471 0.712 1.00 0.28 C ATOM 936 CG2 ILE A 64 -4.310 -5.742 0.609 1.00 0.28 C ATOM 937 CD1 ILE A 64 -2.399 -3.790 -0.543 1.00 0.35 C ATOM 0 H ILE A 64 -5.946 -2.455 1.492 1.00 0.27 H new ATOM 0 HA ILE A 64 -5.025 -3.200 -1.019 1.00 0.23 H new ATOM 0 HB ILE A 64 -4.953 -4.140 1.770 1.00 0.23 H new ATOM 0 HG12 ILE A 64 -3.412 -2.401 0.745 1.00 0.28 H new ATOM 0 HG13 ILE A 64 -2.609 -3.708 1.593 1.00 0.28 H new ATOM 0 HG21 ILE A 64 -3.558 -6.081 1.322 1.00 0.28 H new ATOM 0 HG22 ILE A 64 -5.247 -6.267 0.793 1.00 0.28 H new ATOM 0 HG23 ILE A 64 -3.970 -5.952 -0.405 1.00 0.28 H new ATOM 0 HD11 ILE A 64 -1.472 -3.216 -0.536 1.00 0.35 H new ATOM 0 HD12 ILE A 64 -2.166 -4.855 -0.565 1.00 0.35 H new ATOM 0 HD13 ILE A 64 -2.982 -3.528 -1.426 1.00 0.35 H new ATOM 949 N GLU A 65 -7.377 -5.237 0.131 1.00 0.29 N ATOM 950 CA GLU A 65 -8.417 -6.186 -0.236 1.00 0.36 C ATOM 951 C GLU A 65 -9.403 -5.546 -1.210 1.00 0.39 C ATOM 952 O GLU A 65 -9.624 -6.062 -2.302 1.00 0.44 O ATOM 953 CB GLU A 65 -9.134 -6.679 1.029 1.00 0.39 C ATOM 954 CG GLU A 65 -8.301 -7.727 1.778 1.00 0.47 C ATOM 955 CD GLU A 65 -8.412 -9.131 1.186 1.00 0.76 C ATOM 956 OE1 GLU A 65 -9.070 -9.272 0.132 1.00 1.62 O ATOM 957 OE2 GLU A 65 -7.852 -10.049 1.822 1.00 1.45 O ATOM 0 H GLU A 65 -7.333 -5.050 1.133 1.00 0.29 H new ATOM 0 HA GLU A 65 -7.963 -7.042 -0.736 1.00 0.36 H new ATOM 0 HB2 GLU A 65 -9.334 -5.834 1.688 1.00 0.39 H new ATOM 0 HB3 GLU A 65 -10.099 -7.107 0.758 1.00 0.39 H new ATOM 0 HG2 GLU A 65 -7.255 -7.420 1.772 1.00 0.47 H new ATOM 0 HG3 GLU A 65 -8.619 -7.755 2.820 1.00 0.47 H new ATOM 964 N LYS A 66 -10.002 -4.411 -0.835 1.00 0.40 N ATOM 965 CA LYS A 66 -11.040 -3.781 -1.648 1.00 0.46 C ATOM 966 C LYS A 66 -10.569 -3.458 -3.073 1.00 0.47 C ATOM 967 O LYS A 66 -11.354 -3.545 -4.014 1.00 0.52 O ATOM 968 CB LYS A 66 -11.602 -2.531 -0.945 1.00 0.51 C ATOM 969 CG LYS A 66 -13.056 -2.731 -0.501 1.00 0.72 C ATOM 970 CD LYS A 66 -14.013 -2.759 -1.705 1.00 2.38 C ATOM 971 CE LYS A 66 -15.461 -2.948 -1.230 1.00 2.83 C ATOM 972 NZ LYS A 66 -16.409 -3.045 -2.360 1.00 4.43 N ATOM 0 H LYS A 66 -9.784 -3.912 0.027 1.00 0.40 H new ATOM 0 HA LYS A 66 -11.844 -4.509 -1.752 1.00 0.46 H new ATOM 0 HB2 LYS A 66 -10.986 -2.295 -0.077 1.00 0.51 H new ATOM 0 HB3 LYS A 66 -11.542 -1.677 -1.620 1.00 0.51 H new ATOM 0 HG2 LYS A 66 -13.143 -3.664 0.056 1.00 0.72 H new ATOM 0 HG3 LYS A 66 -13.345 -1.927 0.176 1.00 0.72 H new ATOM 0 HD2 LYS A 66 -13.926 -1.830 -2.269 1.00 2.38 H new ATOM 0 HD3 LYS A 66 -13.736 -3.569 -2.380 1.00 2.38 H new ATOM 0 HE2 LYS A 66 -15.528 -3.851 -0.623 1.00 2.83 H new ATOM 0 HE3 LYS A 66 -15.744 -2.112 -0.591 1.00 2.83 H new ATOM 0 HZ1 LYS A 66 -17.374 -3.172 -1.994 1.00 4.43 H new ATOM 0 HZ2 LYS A 66 -16.365 -2.173 -2.926 1.00 4.43 H new ATOM 0 HZ3 LYS A 66 -16.156 -3.858 -2.957 1.00 4.43 H new ATOM 986 N LEU A 67 -9.307 -3.056 -3.222 1.00 0.44 N ATOM 987 CA LEU A 67 -8.662 -2.789 -4.503 1.00 0.46 C ATOM 988 C LEU A 67 -8.395 -4.075 -5.295 1.00 0.46 C ATOM 989 O LEU A 67 -8.166 -4.007 -6.499 1.00 0.49 O ATOM 990 CB LEU A 67 -7.383 -1.972 -4.268 1.00 0.47 C ATOM 991 CG LEU A 67 -7.724 -0.510 -3.925 1.00 0.56 C ATOM 992 CD1 LEU A 67 -6.633 0.126 -3.058 1.00 0.56 C ATOM 993 CD2 LEU A 67 -7.905 0.310 -5.209 1.00 0.64 C ATOM 0 H LEU A 67 -8.687 -2.903 -2.427 1.00 0.44 H new ATOM 0 HA LEU A 67 -9.340 -2.201 -5.121 1.00 0.46 H new ATOM 0 HB2 LEU A 67 -6.806 -2.416 -3.456 1.00 0.47 H new ATOM 0 HB3 LEU A 67 -6.756 -2.005 -5.159 1.00 0.47 H new ATOM 0 HG LEU A 67 -8.657 -0.510 -3.361 1.00 0.56 H new ATOM 0 HD11 LEU A 67 -6.903 1.158 -2.833 1.00 0.56 H new ATOM 0 HD12 LEU A 67 -6.534 -0.434 -2.128 1.00 0.56 H new ATOM 0 HD13 LEU A 67 -5.685 0.108 -3.595 1.00 0.56 H new ATOM 0 HD21 LEU A 67 -8.146 1.341 -4.951 1.00 0.64 H new ATOM 0 HD22 LEU A 67 -6.982 0.287 -5.789 1.00 0.64 H new ATOM 0 HD23 LEU A 67 -8.716 -0.115 -5.801 1.00 0.64 H new ATOM 1005 N GLY A 68 -8.419 -5.235 -4.633 1.00 0.44 N ATOM 1006 CA GLY A 68 -8.282 -6.542 -5.254 1.00 0.45 C ATOM 1007 C GLY A 68 -6.846 -7.043 -5.166 1.00 0.37 C ATOM 1008 O GLY A 68 -6.344 -7.630 -6.122 1.00 0.36 O ATOM 0 H GLY A 68 -8.538 -5.285 -3.621 1.00 0.44 H new ATOM 0 HA2 GLY A 68 -8.949 -7.252 -4.765 1.00 0.45 H new ATOM 0 HA3 GLY A 68 -8.587 -6.485 -6.299 1.00 0.45 H new ATOM 1012 N TYR A 69 -6.180 -6.809 -4.030 1.00 0.36 N ATOM 1013 CA TYR A 69 -4.796 -7.192 -3.802 1.00 0.31 C ATOM 1014 C TYR A 69 -4.642 -7.822 -2.423 1.00 0.29 C ATOM 1015 O TYR A 69 -5.585 -7.849 -1.637 1.00 0.31 O ATOM 1016 CB TYR A 69 -3.913 -5.950 -3.932 1.00 0.31 C ATOM 1017 CG TYR A 69 -3.071 -6.003 -5.180 1.00 0.33 C ATOM 1018 CD1 TYR A 69 -3.665 -5.787 -6.433 1.00 1.90 C ATOM 1019 CD2 TYR A 69 -1.708 -6.323 -5.095 1.00 1.77 C ATOM 1020 CE1 TYR A 69 -2.865 -5.712 -7.580 1.00 1.94 C ATOM 1021 CE2 TYR A 69 -0.908 -6.242 -6.243 1.00 1.75 C ATOM 1022 CZ TYR A 69 -1.478 -5.911 -7.482 1.00 0.44 C ATOM 1023 OH TYR A 69 -0.686 -5.749 -8.579 1.00 0.53 O ATOM 0 H TYR A 69 -6.604 -6.338 -3.231 1.00 0.36 H new ATOM 0 HA TYR A 69 -4.491 -7.931 -4.542 1.00 0.31 H new ATOM 0 HB2 TYR A 69 -4.538 -5.057 -3.951 1.00 0.31 H new ATOM 0 HB3 TYR A 69 -3.267 -5.868 -3.058 1.00 0.31 H new ATOM 0 HD1 TYR A 69 -4.737 -5.679 -6.513 1.00 1.90 H new ATOM 0 HD2 TYR A 69 -1.278 -6.629 -4.153 1.00 1.77 H new ATOM 0 HE1 TYR A 69 -3.314 -5.501 -8.539 1.00 1.94 H new ATOM 0 HE2 TYR A 69 0.152 -6.435 -6.174 1.00 1.75 H new ATOM 0 HH TYR A 69 -1.084 -5.079 -9.174 1.00 0.53 H new ATOM 1033 N HIS A 70 -3.431 -8.298 -2.120 1.00 0.28 N ATOM 1034 CA HIS A 70 -3.065 -8.788 -0.804 1.00 0.29 C ATOM 1035 C HIS A 70 -1.608 -8.394 -0.549 1.00 0.30 C ATOM 1036 O HIS A 70 -0.766 -8.544 -1.437 1.00 0.48 O ATOM 1037 CB HIS A 70 -3.303 -10.301 -0.748 1.00 0.40 C ATOM 1038 CG HIS A 70 -3.080 -10.949 0.598 1.00 0.55 C ATOM 1039 ND1 HIS A 70 -2.837 -12.289 0.799 1.00 2.04 N ATOM 1040 CD2 HIS A 70 -3.230 -10.372 1.833 1.00 1.68 C ATOM 1041 CE1 HIS A 70 -2.819 -12.505 2.124 1.00 1.72 C ATOM 1042 NE2 HIS A 70 -3.047 -11.368 2.796 1.00 1.25 N ATOM 0 H HIS A 70 -2.671 -8.351 -2.798 1.00 0.28 H new ATOM 0 HA HIS A 70 -3.675 -8.348 -0.015 1.00 0.29 H new ATOM 0 HB2 HIS A 70 -4.327 -10.501 -1.062 1.00 0.40 H new ATOM 0 HB3 HIS A 70 -2.647 -10.781 -1.475 1.00 0.40 H new ATOM 0 HD2 HIS A 70 -3.450 -9.333 2.027 1.00 1.68 H new ATOM 0 HE1 HIS A 70 -2.644 -13.465 2.586 1.00 1.72 H new ATOM 0 HE2 HIS A 70 -3.080 -11.253 3.809 1.00 1.25 H new ATOM 1050 N VAL A 71 -1.333 -7.853 0.641 1.00 0.35 N ATOM 1051 CA VAL A 71 -0.017 -7.416 1.082 1.00 0.39 C ATOM 1052 C VAL A 71 0.459 -8.403 2.150 1.00 0.46 C ATOM 1053 O VAL A 71 -0.351 -8.849 2.960 1.00 0.65 O ATOM 1054 CB VAL A 71 -0.111 -5.961 1.586 1.00 0.52 C ATOM 1055 CG1 VAL A 71 -0.784 -5.812 2.958 1.00 1.49 C ATOM 1056 CG2 VAL A 71 1.252 -5.273 1.605 1.00 1.19 C ATOM 0 H VAL A 71 -2.054 -7.704 1.347 1.00 0.35 H new ATOM 0 HA VAL A 71 0.715 -7.414 0.274 1.00 0.39 H new ATOM 0 HB VAL A 71 -0.756 -5.466 0.861 1.00 0.52 H new ATOM 0 HG11 VAL A 71 -0.810 -4.759 3.238 1.00 1.49 H new ATOM 0 HG12 VAL A 71 -1.802 -6.199 2.908 1.00 1.49 H new ATOM 0 HG13 VAL A 71 -0.219 -6.372 3.703 1.00 1.49 H new ATOM 0 HG21 VAL A 71 1.139 -4.251 1.966 1.00 1.19 H new ATOM 0 HG22 VAL A 71 1.926 -5.819 2.265 1.00 1.19 H new ATOM 0 HG23 VAL A 71 1.666 -5.258 0.597 1.00 1.19 H new ATOM 1066 N VAL A 72 1.744 -8.767 2.139 1.00 0.41 N ATOM 1067 CA VAL A 72 2.324 -9.704 3.091 1.00 0.48 C ATOM 1068 C VAL A 72 3.234 -8.943 4.047 1.00 0.53 C ATOM 1069 O VAL A 72 3.988 -8.052 3.655 1.00 0.48 O ATOM 1070 CB VAL A 72 3.069 -10.836 2.387 1.00 0.50 C ATOM 1071 CG1 VAL A 72 3.745 -11.802 3.372 1.00 0.57 C ATOM 1072 CG2 VAL A 72 2.129 -11.628 1.471 1.00 0.68 C ATOM 0 H VAL A 72 2.415 -8.412 1.458 1.00 0.41 H new ATOM 0 HA VAL A 72 1.522 -10.173 3.660 1.00 0.48 H new ATOM 0 HB VAL A 72 3.848 -10.360 1.792 1.00 0.50 H new ATOM 0 HG11 VAL A 72 4.260 -12.586 2.817 1.00 0.57 H new ATOM 0 HG12 VAL A 72 4.466 -11.256 3.981 1.00 0.57 H new ATOM 0 HG13 VAL A 72 2.990 -12.250 4.018 1.00 0.57 H new ATOM 0 HG21 VAL A 72 2.686 -12.428 0.982 1.00 0.68 H new ATOM 0 HG22 VAL A 72 1.321 -12.058 2.063 1.00 0.68 H new ATOM 0 HG23 VAL A 72 1.711 -10.963 0.715 1.00 0.68 H new ATOM 1082 N ILE A 73 3.142 -9.325 5.315 1.00 0.66 N ATOM 1083 CA ILE A 73 3.734 -8.631 6.443 1.00 0.85 C ATOM 1084 C ILE A 73 4.963 -9.405 6.918 1.00 0.90 C ATOM 1085 O ILE A 73 4.938 -10.070 7.945 1.00 0.91 O ATOM 1086 CB ILE A 73 2.676 -8.424 7.542 1.00 0.96 C ATOM 1087 CG1 ILE A 73 1.417 -7.711 7.011 1.00 1.12 C ATOM 1088 CG2 ILE A 73 3.262 -7.635 8.722 1.00 1.17 C ATOM 1089 CD1 ILE A 73 1.662 -6.327 6.396 1.00 1.01 C ATOM 0 H ILE A 73 2.630 -10.163 5.593 1.00 0.66 H new ATOM 0 HA ILE A 73 4.074 -7.637 6.154 1.00 0.85 H new ATOM 0 HB ILE A 73 2.379 -9.416 7.884 1.00 0.96 H new ATOM 0 HG12 ILE A 73 0.948 -8.347 6.260 1.00 1.12 H new ATOM 0 HG13 ILE A 73 0.705 -7.606 7.830 1.00 1.12 H new ATOM 0 HG21 ILE A 73 2.496 -7.501 9.486 1.00 1.17 H new ATOM 0 HG22 ILE A 73 4.104 -8.184 9.144 1.00 1.17 H new ATOM 0 HG23 ILE A 73 3.602 -6.660 8.374 1.00 1.17 H new ATOM 0 HD11 ILE A 73 0.716 -5.909 6.052 1.00 1.01 H new ATOM 0 HD12 ILE A 73 2.099 -5.668 7.146 1.00 1.01 H new ATOM 0 HD13 ILE A 73 2.345 -6.420 5.552 1.00 1.01 H new ATOM 1101 N GLU A 74 6.073 -9.261 6.194 1.00 1.01 N ATOM 1102 CA GLU A 74 7.367 -9.803 6.554 1.00 1.20 C ATOM 1103 C GLU A 74 8.067 -9.032 7.688 1.00 1.49 C ATOM 1104 O GLU A 74 9.207 -9.323 8.043 1.00 1.69 O ATOM 1105 CB GLU A 74 8.228 -9.869 5.292 1.00 1.35 C ATOM 1106 CG GLU A 74 7.921 -11.114 4.449 1.00 1.27 C ATOM 1107 CD GLU A 74 8.598 -12.354 5.021 1.00 1.97 C ATOM 1108 OE1 GLU A 74 9.811 -12.498 4.763 1.00 2.71 O ATOM 1109 OE2 GLU A 74 7.895 -13.123 5.709 1.00 3.30 O ATOM 0 H GLU A 74 6.088 -8.746 5.314 1.00 1.01 H new ATOM 0 HA GLU A 74 7.217 -10.804 6.960 1.00 1.20 H new ATOM 0 HB2 GLU A 74 8.060 -8.975 4.692 1.00 1.35 H new ATOM 0 HB3 GLU A 74 9.281 -9.872 5.572 1.00 1.35 H new ATOM 0 HG2 GLU A 74 6.843 -11.272 4.409 1.00 1.27 H new ATOM 0 HG3 GLU A 74 8.258 -10.954 3.425 1.00 1.27 H new ATOM 1116 N GLY A 75 7.395 -8.015 8.226 1.00 1.61 N ATOM 1117 CA GLY A 75 7.950 -7.046 9.163 1.00 1.94 C ATOM 1118 C GLY A 75 7.375 -7.125 10.574 1.00 3.06 C ATOM 1119 O GLY A 75 7.828 -6.415 11.475 1.00 3.93 O ATOM 0 H GLY A 75 6.413 -7.839 8.012 1.00 1.61 H new ATOM 0 HA2 GLY A 75 9.029 -7.189 9.216 1.00 1.94 H new ATOM 0 HA3 GLY A 75 7.780 -6.043 8.771 1.00 1.94 H new ATOM 1123 N ARG A 76 6.336 -7.925 10.767 1.00 3.83 N ATOM 1124 CA ARG A 76 5.587 -8.024 12.007 1.00 5.53 C ATOM 1125 C ARG A 76 4.712 -9.276 11.930 1.00 6.62 C ATOM 1126 O ARG A 76 3.538 -9.199 12.351 1.00 7.58 O ATOM 1127 CB ARG A 76 4.761 -6.741 12.161 1.00 6.45 C ATOM 1128 CG ARG A 76 4.172 -6.521 13.563 1.00 8.20 C ATOM 1129 CD ARG A 76 5.008 -5.583 14.450 1.00 8.66 C ATOM 1130 NE ARG A 76 5.859 -6.310 15.406 1.00 9.19 N ATOM 1131 CZ ARG A 76 7.154 -6.640 15.261 1.00 9.13 C ATOM 1132 NH1 ARG A 76 7.797 -6.470 14.102 1.00 8.55 N ATOM 1133 NH2 ARG A 76 7.819 -7.144 16.307 1.00 10.08 N ATOM 1134 OXT ARG A 76 5.246 -10.288 11.430 1.00 7.02 O ATOM 0 H ARG A 76 5.981 -8.544 10.038 1.00 3.83 H new ATOM 0 HA ARG A 76 6.233 -8.118 12.880 1.00 5.53 H new ATOM 0 HB2 ARG A 76 5.390 -5.888 11.908 1.00 6.45 H new ATOM 0 HB3 ARG A 76 3.945 -6.761 11.438 1.00 6.45 H new ATOM 0 HG2 ARG A 76 3.167 -6.111 13.464 1.00 8.20 H new ATOM 0 HG3 ARG A 76 4.075 -7.486 14.061 1.00 8.20 H new ATOM 0 HD2 ARG A 76 5.635 -4.955 13.817 1.00 8.66 H new ATOM 0 HD3 ARG A 76 4.340 -4.918 14.998 1.00 8.66 H new ATOM 0 HE ARG A 76 5.415 -6.596 16.279 1.00 9.19 H new ATOM 0 HH11 ARG A 76 7.305 -6.081 13.298 1.00 8.55 H new ATOM 0 HH12 ARG A 76 8.780 -6.730 14.021 1.00 8.55 H new ATOM 0 HH21 ARG A 76 7.343 -7.273 17.200 1.00 10.08 H new ATOM 0 HH22 ARG A 76 8.802 -7.399 16.212 1.00 10.08 H new TER 1148 ARG A 76 HETATM 1149 CU CU A 77 -3.260 -5.426 -14.234 1.00 1.96 CU