USER MOD reduce.3.24.130724 H: found=0, std=0, add=706, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 704 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 67 GLN : amide:sc= -4.25 K(o=-7.3,f=-9.1!) USER MOD Set 1.2: A 75 HIS : no HE2:sc= -3.08 K(o=-7.3,f=-16!) USER MOD Set 2.1: A 3 LYS NZ :NH3+ 156:sc=-0.000942 (180deg=0) USER MOD Set 2.2: A 5 TYR OH : rot 30:sc= 0.245 USER MOD Set 2.3: A 54 LYS NZ :NH3+ -109:sc= 0.244 (180deg=-0.708) USER MOD Single : A 1 MET CE :methyl 163:sc= -2.32 (180deg=-3.25!) USER MOD Single : A 1 MET N :NH3+ -111:sc= -3.16! (180deg=-6.23!) USER MOD Single : A 7 TYR OH : rot 132:sc= -0.771! USER MOD Single : A 9 SER OG : rot 73:sc= 1.17 USER MOD Single : A 10 ASN : amide:sc= 0 K(o=0,f=-0.76) USER MOD Single : A 12 HIS :FLIP no HE2:sc= 0.118 F(o=-1.2,f=0.12) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 ASN : amide:sc= -0.206 K(o=-0.21,f=-1.6) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 THR OG1 : rot 83:sc= 0.925 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN : amide:sc= 0 K(o=0,f=-0.95) USER MOD Single : A 35 ASN : amide:sc= -1.23 K(o=-1.2,f=-4.1!) USER MOD Single : A 37 MET CE :methyl 154:sc= -0.031 (180deg=-0.722) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 74 SER OG : rot 180:sc= -2.47! USER MOD Single : A 81 GLN : amide:sc= 0 X(o=0,f=-0.025) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ 169:sc=-0.00638 (180deg=-0.126) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -11.585 1.618 -5.657 1.00 0.00 N ATOM 2 CA MET A 1 -10.590 0.524 -5.481 1.00 0.00 C ATOM 3 C MET A 1 -9.421 0.965 -4.607 1.00 0.00 C ATOM 4 O MET A 1 -8.817 2.010 -4.844 1.00 0.00 O ATOM 5 CB MET A 1 -10.108 0.112 -6.868 1.00 0.00 C ATOM 6 CG MET A 1 -9.070 -0.985 -6.890 1.00 0.00 C ATOM 7 SD MET A 1 -8.476 -1.334 -8.556 1.00 0.00 S ATOM 8 CE MET A 1 -8.024 0.310 -9.106 1.00 0.00 C ATOM 0 H1 MET A 1 -12.462 1.374 -5.154 1.00 0.00 H new ATOM 0 H2 MET A 1 -11.199 2.503 -5.271 1.00 0.00 H new ATOM 0 H3 MET A 1 -11.790 1.741 -6.669 1.00 0.00 H new ATOM 0 HA MET A 1 -11.055 -0.320 -4.972 1.00 0.00 H new ATOM 0 HB2 MET A 1 -10.969 -0.213 -7.452 1.00 0.00 H new ATOM 0 HB3 MET A 1 -9.697 0.989 -7.367 1.00 0.00 H new ATOM 0 HG2 MET A 1 -8.228 -0.698 -6.260 1.00 0.00 H new ATOM 0 HG3 MET A 1 -9.495 -1.892 -6.461 1.00 0.00 H new ATOM 0 HE1 MET A 1 -7.373 0.236 -9.977 1.00 0.00 H new ATOM 0 HE2 MET A 1 -8.924 0.865 -9.372 1.00 0.00 H new ATOM 0 HE3 MET A 1 -7.500 0.831 -8.304 1.00 0.00 H new ATOM 20 N PHE A 2 -9.115 0.167 -3.589 1.00 0.00 N ATOM 21 CA PHE A 2 -8.029 0.490 -2.676 1.00 0.00 C ATOM 22 C PHE A 2 -6.709 0.603 -3.424 1.00 0.00 C ATOM 23 O PHE A 2 -6.497 -0.061 -4.440 1.00 0.00 O ATOM 24 CB PHE A 2 -7.930 -0.559 -1.566 1.00 0.00 C ATOM 25 CG PHE A 2 -9.031 -0.450 -0.550 1.00 0.00 C ATOM 26 CD1 PHE A 2 -10.256 -1.056 -0.772 1.00 0.00 C ATOM 27 CD2 PHE A 2 -8.841 0.259 0.624 1.00 0.00 C ATOM 28 CE1 PHE A 2 -11.271 -0.958 0.159 1.00 0.00 C ATOM 29 CE2 PHE A 2 -9.852 0.362 1.558 1.00 0.00 C ATOM 30 CZ PHE A 2 -11.070 -0.247 1.326 1.00 0.00 C ATOM 0 H PHE A 2 -9.602 -0.704 -3.378 1.00 0.00 H new ATOM 0 HA PHE A 2 -8.245 1.456 -2.219 1.00 0.00 H new ATOM 0 HB2 PHE A 2 -7.953 -1.554 -2.012 1.00 0.00 H new ATOM 0 HB3 PHE A 2 -6.968 -0.457 -1.063 1.00 0.00 H new ATOM 0 HD1 PHE A 2 -10.419 -1.612 -1.684 1.00 0.00 H new ATOM 0 HD2 PHE A 2 -7.891 0.737 0.811 1.00 0.00 H new ATOM 0 HE1 PHE A 2 -12.221 -1.437 -0.025 1.00 0.00 H new ATOM 0 HE2 PHE A 2 -9.691 0.918 2.470 1.00 0.00 H new ATOM 0 HZ PHE A 2 -11.863 -0.167 2.055 1.00 0.00 H new ATOM 40 N LYS A 3 -5.832 1.461 -2.925 1.00 0.00 N ATOM 41 CA LYS A 3 -4.542 1.682 -3.551 1.00 0.00 C ATOM 42 C LYS A 3 -3.404 1.320 -2.609 1.00 0.00 C ATOM 43 O LYS A 3 -3.309 1.855 -1.508 1.00 0.00 O ATOM 44 CB LYS A 3 -4.414 3.147 -3.963 1.00 0.00 C ATOM 45 CG LYS A 3 -5.244 3.517 -5.182 1.00 0.00 C ATOM 46 CD LYS A 3 -6.479 4.316 -4.792 1.00 0.00 C ATOM 47 CE LYS A 3 -6.724 5.470 -5.752 1.00 0.00 C ATOM 48 NZ LYS A 3 -6.302 6.776 -5.172 1.00 0.00 N ATOM 0 H LYS A 3 -5.993 2.016 -2.085 1.00 0.00 H new ATOM 0 HA LYS A 3 -4.478 1.041 -4.430 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -4.714 3.778 -3.126 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -3.366 3.367 -4.168 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -4.636 4.099 -5.875 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -5.546 2.611 -5.707 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -7.349 3.660 -4.781 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -6.359 4.703 -3.780 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -6.180 5.292 -6.679 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -7.783 5.511 -6.007 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -6.097 7.447 -5.940 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -7.066 7.155 -4.577 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -5.448 6.640 -4.594 1.00 0.00 H new ATOM 62 N VAL A 4 -2.536 0.417 -3.048 1.00 0.00 N ATOM 63 CA VAL A 4 -1.403 0.010 -2.228 1.00 0.00 C ATOM 64 C VAL A 4 -0.077 0.419 -2.857 1.00 0.00 C ATOM 65 O VAL A 4 0.123 0.296 -4.066 1.00 0.00 O ATOM 66 CB VAL A 4 -1.379 -1.513 -1.971 1.00 0.00 C ATOM 67 CG1 VAL A 4 0.015 -1.969 -1.567 1.00 0.00 C ATOM 68 CG2 VAL A 4 -2.370 -1.898 -0.893 1.00 0.00 C ATOM 0 H VAL A 4 -2.593 -0.043 -3.957 1.00 0.00 H new ATOM 0 HA VAL A 4 -1.530 0.525 -1.276 1.00 0.00 H new ATOM 0 HB VAL A 4 -1.661 -2.008 -2.900 1.00 0.00 H new ATOM 0 HG11 VAL A 4 0.009 -3.045 -1.391 1.00 0.00 H new ATOM 0 HG12 VAL A 4 0.720 -1.736 -2.365 1.00 0.00 H new ATOM 0 HG13 VAL A 4 0.316 -1.454 -0.655 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -2.332 -2.975 -0.732 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -2.117 -1.384 0.034 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -3.375 -1.612 -1.204 1.00 0.00 H new ATOM 78 N TYR A 5 0.830 0.876 -2.007 1.00 0.00 N ATOM 79 CA TYR A 5 2.159 1.281 -2.423 1.00 0.00 C ATOM 80 C TYR A 5 3.198 0.472 -1.659 1.00 0.00 C ATOM 81 O TYR A 5 3.495 0.765 -0.501 1.00 0.00 O ATOM 82 CB TYR A 5 2.363 2.770 -2.158 1.00 0.00 C ATOM 83 CG TYR A 5 1.439 3.659 -2.952 1.00 0.00 C ATOM 84 CD1 TYR A 5 1.170 3.397 -4.286 1.00 0.00 C ATOM 85 CD2 TYR A 5 0.848 4.769 -2.368 1.00 0.00 C ATOM 86 CE1 TYR A 5 0.335 4.218 -5.018 1.00 0.00 C ATOM 87 CE2 TYR A 5 0.014 5.598 -3.092 1.00 0.00 C ATOM 88 CZ TYR A 5 -0.238 5.318 -4.418 1.00 0.00 C ATOM 89 OH TYR A 5 -1.068 6.140 -5.144 1.00 0.00 O ATOM 0 H TYR A 5 0.662 0.976 -1.006 1.00 0.00 H new ATOM 0 HA TYR A 5 2.270 1.098 -3.492 1.00 0.00 H new ATOM 0 HB2 TYR A 5 2.216 2.964 -1.096 1.00 0.00 H new ATOM 0 HB3 TYR A 5 3.395 3.033 -2.390 1.00 0.00 H new ATOM 0 HD1 TYR A 5 1.620 2.538 -4.760 1.00 0.00 H new ATOM 0 HD2 TYR A 5 1.043 4.989 -1.329 1.00 0.00 H new ATOM 0 HE1 TYR A 5 0.132 3.999 -6.056 1.00 0.00 H new ATOM 0 HE2 TYR A 5 -0.438 6.460 -2.623 1.00 0.00 H new ATOM 0 HH TYR A 5 -1.521 5.617 -5.838 1.00 0.00 H new ATOM 99 N GLY A 6 3.734 -0.559 -2.300 1.00 0.00 N ATOM 100 CA GLY A 6 4.721 -1.393 -1.651 1.00 0.00 C ATOM 101 C GLY A 6 5.574 -2.153 -2.640 1.00 0.00 C ATOM 102 O GLY A 6 5.947 -1.624 -3.686 1.00 0.00 O ATOM 0 H GLY A 6 3.502 -0.830 -3.256 1.00 0.00 H new ATOM 0 HA2 GLY A 6 5.362 -0.772 -1.025 1.00 0.00 H new ATOM 0 HA3 GLY A 6 4.218 -2.100 -0.991 1.00 0.00 H new ATOM 106 N TYR A 7 5.893 -3.392 -2.301 1.00 0.00 N ATOM 107 CA TYR A 7 6.719 -4.226 -3.143 1.00 0.00 C ATOM 108 C TYR A 7 6.011 -5.526 -3.507 1.00 0.00 C ATOM 109 O TYR A 7 5.060 -5.934 -2.841 1.00 0.00 O ATOM 110 CB TYR A 7 8.018 -4.518 -2.416 1.00 0.00 C ATOM 111 CG TYR A 7 8.702 -3.265 -1.930 1.00 0.00 C ATOM 112 CD1 TYR A 7 9.318 -2.403 -2.824 1.00 0.00 C ATOM 113 CD2 TYR A 7 8.715 -2.935 -0.582 1.00 0.00 C ATOM 114 CE1 TYR A 7 9.929 -1.247 -2.390 1.00 0.00 C ATOM 115 CE2 TYR A 7 9.327 -1.780 -0.139 1.00 0.00 C ATOM 116 CZ TYR A 7 9.933 -0.938 -1.047 1.00 0.00 C ATOM 117 OH TYR A 7 10.542 0.216 -0.611 1.00 0.00 O ATOM 0 H TYR A 7 5.586 -3.841 -1.438 1.00 0.00 H new ATOM 0 HA TYR A 7 6.922 -3.697 -4.074 1.00 0.00 H new ATOM 0 HB2 TYR A 7 7.816 -5.171 -1.567 1.00 0.00 H new ATOM 0 HB3 TYR A 7 8.690 -5.060 -3.082 1.00 0.00 H new ATOM 0 HD1 TYR A 7 9.319 -2.641 -3.877 1.00 0.00 H new ATOM 0 HD2 TYR A 7 8.239 -3.592 0.131 1.00 0.00 H new ATOM 0 HE1 TYR A 7 10.403 -0.585 -3.100 1.00 0.00 H new ATOM 0 HE2 TYR A 7 9.331 -1.537 0.913 1.00 0.00 H new ATOM 0 HH TYR A 7 9.939 0.695 -0.004 1.00 0.00 H new ATOM 127 N ASP A 8 6.479 -6.171 -4.569 1.00 0.00 N ATOM 128 CA ASP A 8 5.886 -7.426 -5.019 1.00 0.00 C ATOM 129 C ASP A 8 6.624 -8.621 -4.419 1.00 0.00 C ATOM 130 O ASP A 8 6.060 -9.372 -3.624 1.00 0.00 O ATOM 131 CB ASP A 8 5.890 -7.511 -6.552 1.00 0.00 C ATOM 132 CG ASP A 8 7.180 -7.004 -7.174 1.00 0.00 C ATOM 133 OD1 ASP A 8 7.577 -5.860 -6.871 1.00 0.00 O ATOM 134 OD2 ASP A 8 7.792 -7.754 -7.964 1.00 0.00 O ATOM 0 H ASP A 8 7.265 -5.848 -5.133 1.00 0.00 H new ATOM 0 HA ASP A 8 4.852 -7.452 -4.675 1.00 0.00 H new ATOM 0 HB2 ASP A 8 5.731 -8.547 -6.853 1.00 0.00 H new ATOM 0 HB3 ASP A 8 5.053 -6.933 -6.944 1.00 0.00 H new ATOM 139 N SER A 9 7.889 -8.784 -4.804 1.00 0.00 N ATOM 140 CA SER A 9 8.721 -9.882 -4.311 1.00 0.00 C ATOM 141 C SER A 9 9.927 -10.078 -5.219 1.00 0.00 C ATOM 142 O SER A 9 11.028 -10.374 -4.755 1.00 0.00 O ATOM 143 CB SER A 9 7.926 -11.189 -4.229 1.00 0.00 C ATOM 144 OG SER A 9 7.399 -11.383 -2.929 1.00 0.00 O ATOM 0 H SER A 9 8.363 -8.165 -5.461 1.00 0.00 H new ATOM 0 HA SER A 9 9.058 -9.618 -3.308 1.00 0.00 H new ATOM 0 HB2 SER A 9 7.114 -11.171 -4.955 1.00 0.00 H new ATOM 0 HB3 SER A 9 8.570 -12.028 -4.493 1.00 0.00 H new ATOM 0 HG SER A 9 6.657 -10.761 -2.781 1.00 0.00 H new ATOM 150 N ASN A 10 9.704 -9.913 -6.517 1.00 0.00 N ATOM 151 CA ASN A 10 10.764 -10.071 -7.503 1.00 0.00 C ATOM 152 C ASN A 10 11.854 -9.020 -7.301 1.00 0.00 C ATOM 153 O ASN A 10 13.043 -9.335 -7.326 1.00 0.00 O ATOM 154 CB ASN A 10 10.184 -9.981 -8.915 1.00 0.00 C ATOM 155 CG ASN A 10 9.439 -11.245 -9.305 1.00 0.00 C ATOM 156 OD1 ASN A 10 8.532 -11.686 -8.599 1.00 0.00 O ATOM 157 ND2 ASN A 10 9.822 -11.836 -10.429 1.00 0.00 N ATOM 0 H ASN A 10 8.796 -9.669 -6.911 1.00 0.00 H new ATOM 0 HA ASN A 10 11.216 -11.054 -7.372 1.00 0.00 H new ATOM 0 HB2 ASN A 10 9.508 -9.128 -8.976 1.00 0.00 H new ATOM 0 HB3 ASN A 10 10.989 -9.800 -9.627 1.00 0.00 H new ATOM 0 HD21 ASN A 10 9.360 -12.691 -10.739 1.00 0.00 H new ATOM 0 HD22 ASN A 10 10.579 -11.436 -10.984 1.00 0.00 H new ATOM 164 N ILE A 11 11.442 -7.773 -7.093 1.00 0.00 N ATOM 165 CA ILE A 11 12.388 -6.683 -6.880 1.00 0.00 C ATOM 166 C ILE A 11 12.719 -6.545 -5.403 1.00 0.00 C ATOM 167 O ILE A 11 13.874 -6.341 -5.027 1.00 0.00 O ATOM 168 CB ILE A 11 11.834 -5.337 -7.393 1.00 0.00 C ATOM 169 CG1 ILE A 11 10.994 -5.549 -8.653 1.00 0.00 C ATOM 170 CG2 ILE A 11 12.971 -4.367 -7.666 1.00 0.00 C ATOM 171 CD1 ILE A 11 11.726 -6.288 -9.754 1.00 0.00 C ATOM 0 H ILE A 11 10.462 -7.493 -7.067 1.00 0.00 H new ATOM 0 HA ILE A 11 13.289 -6.929 -7.443 1.00 0.00 H new ATOM 0 HB ILE A 11 11.193 -4.909 -6.622 1.00 0.00 H new ATOM 0 HG12 ILE A 11 10.094 -6.105 -8.390 1.00 0.00 H new ATOM 0 HG13 ILE A 11 10.670 -4.579 -9.031 1.00 0.00 H new ATOM 0 HG21 ILE A 11 12.565 -3.422 -8.027 1.00 0.00 H new ATOM 0 HG22 ILE A 11 13.530 -4.194 -6.746 1.00 0.00 H new ATOM 0 HG23 ILE A 11 13.635 -4.788 -8.421 1.00 0.00 H new ATOM 0 HD11 ILE A 11 11.068 -6.402 -10.616 1.00 0.00 H new ATOM 0 HD12 ILE A 11 12.611 -5.723 -10.045 1.00 0.00 H new ATOM 0 HD13 ILE A 11 12.026 -7.272 -9.394 1.00 0.00 H new ATOM 183 N HIS A 12 11.700 -6.670 -4.566 1.00 0.00 N ATOM 184 CA HIS A 12 11.884 -6.577 -3.131 1.00 0.00 C ATOM 185 C HIS A 12 10.891 -7.473 -2.415 1.00 0.00 C ATOM 186 O HIS A 12 9.726 -7.564 -2.795 1.00 0.00 O ATOM 187 CB HIS A 12 11.753 -5.132 -2.661 1.00 0.00 C ATOM 188 CG HIS A 12 12.394 -4.868 -1.333 1.00 0.00 C ATOM 189 ND1 HIS A 12 11.897 -4.260 -0.226 1.00 0.00 N flip ATOM 190 CD2 HIS A 12 13.685 -5.228 -1.017 1.00 0.00 C flip ATOM 191 CE1 HIS A 12 12.872 -4.250 0.768 1.00 0.00 C flip ATOM 192 NE2 HIS A 12 13.925 -4.843 0.243 1.00 0.00 N flip ATOM 0 H HIS A 12 10.737 -6.836 -4.859 1.00 0.00 H new ATOM 0 HA HIS A 12 12.891 -6.917 -2.888 1.00 0.00 H new ATOM 0 HB2 HIS A 12 12.200 -4.475 -3.407 1.00 0.00 H new ATOM 0 HB3 HIS A 12 10.696 -4.873 -2.602 1.00 0.00 H new ATOM 0 HD1 HIS A 12 10.958 -3.872 -0.136 1.00 0.00 H new ATOM 0 HD2 HIS A 12 14.382 -5.732 -1.670 1.00 0.00 H new ATOM 0 HE1 HIS A 12 12.783 -3.841 1.764 1.00 0.00 H new ATOM 200 N LYS A 13 11.374 -8.153 -1.392 1.00 0.00 N ATOM 201 CA LYS A 13 10.548 -9.076 -0.621 1.00 0.00 C ATOM 202 C LYS A 13 9.689 -8.342 0.407 1.00 0.00 C ATOM 203 O LYS A 13 10.033 -7.249 0.854 1.00 0.00 O ATOM 204 CB LYS A 13 11.431 -10.136 0.058 1.00 0.00 C ATOM 205 CG LYS A 13 11.757 -9.853 1.518 1.00 0.00 C ATOM 206 CD LYS A 13 12.644 -8.629 1.658 1.00 0.00 C ATOM 207 CE LYS A 13 12.736 -8.172 3.104 1.00 0.00 C ATOM 208 NZ LYS A 13 13.745 -8.954 3.871 1.00 0.00 N ATOM 0 H LYS A 13 12.340 -8.086 -1.071 1.00 0.00 H new ATOM 0 HA LYS A 13 9.867 -9.575 -1.311 1.00 0.00 H new ATOM 0 HB2 LYS A 13 10.931 -11.102 -0.008 1.00 0.00 H new ATOM 0 HB3 LYS A 13 12.364 -10.222 -0.498 1.00 0.00 H new ATOM 0 HG2 LYS A 13 10.833 -9.701 2.076 1.00 0.00 H new ATOM 0 HG3 LYS A 13 12.255 -10.718 1.956 1.00 0.00 H new ATOM 0 HD2 LYS A 13 13.642 -8.856 1.283 1.00 0.00 H new ATOM 0 HD3 LYS A 13 12.249 -7.820 1.044 1.00 0.00 H new ATOM 0 HE2 LYS A 13 12.997 -7.114 3.134 1.00 0.00 H new ATOM 0 HE3 LYS A 13 11.760 -8.273 3.579 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 13.777 -8.611 4.852 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 13.483 -9.960 3.864 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 14.681 -8.837 3.433 1.00 0.00 H new ATOM 222 N CYS A 14 8.577 -8.967 0.781 1.00 0.00 N ATOM 223 CA CYS A 14 7.664 -8.397 1.764 1.00 0.00 C ATOM 224 C CYS A 14 6.737 -9.474 2.315 1.00 0.00 C ATOM 225 O CYS A 14 5.979 -10.093 1.569 1.00 0.00 O ATOM 226 CB CYS A 14 6.843 -7.264 1.146 1.00 0.00 C ATOM 227 SG CYS A 14 6.140 -7.655 -0.488 1.00 0.00 S ATOM 0 H CYS A 14 8.286 -9.874 0.415 1.00 0.00 H new ATOM 0 HA CYS A 14 8.256 -7.989 2.583 1.00 0.00 H new ATOM 0 HB2 CYS A 14 6.031 -7.006 1.826 1.00 0.00 H new ATOM 0 HB3 CYS A 14 7.475 -6.381 1.055 1.00 0.00 H new ATOM 232 N VAL A 15 6.809 -9.700 3.623 1.00 0.00 N ATOM 233 CA VAL A 15 5.981 -10.713 4.273 1.00 0.00 C ATOM 234 C VAL A 15 4.639 -10.138 4.719 1.00 0.00 C ATOM 235 O VAL A 15 3.669 -10.874 4.896 1.00 0.00 O ATOM 236 CB VAL A 15 6.697 -11.320 5.494 1.00 0.00 C ATOM 237 CG1 VAL A 15 7.802 -12.261 5.043 1.00 0.00 C ATOM 238 CG2 VAL A 15 7.250 -10.226 6.396 1.00 0.00 C ATOM 0 H VAL A 15 7.432 -9.196 4.254 1.00 0.00 H new ATOM 0 HA VAL A 15 5.805 -11.494 3.533 1.00 0.00 H new ATOM 0 HB VAL A 15 5.971 -11.893 6.071 1.00 0.00 H new ATOM 0 HG11 VAL A 15 8.300 -12.683 5.916 1.00 0.00 H new ATOM 0 HG12 VAL A 15 7.373 -13.066 4.446 1.00 0.00 H new ATOM 0 HG13 VAL A 15 8.527 -11.710 4.443 1.00 0.00 H new ATOM 0 HG21 VAL A 15 7.751 -10.679 7.252 1.00 0.00 H new ATOM 0 HG22 VAL A 15 7.963 -9.619 5.837 1.00 0.00 H new ATOM 0 HG23 VAL A 15 6.433 -9.595 6.746 1.00 0.00 H new ATOM 248 N TYR A 16 4.589 -8.822 4.906 1.00 0.00 N ATOM 249 CA TYR A 16 3.359 -8.162 5.338 1.00 0.00 C ATOM 250 C TYR A 16 2.512 -7.721 4.144 1.00 0.00 C ATOM 251 O TYR A 16 1.329 -7.410 4.296 1.00 0.00 O ATOM 252 CB TYR A 16 3.681 -6.958 6.228 1.00 0.00 C ATOM 253 CG TYR A 16 3.356 -7.189 7.688 1.00 0.00 C ATOM 254 CD1 TYR A 16 4.037 -8.149 8.427 1.00 0.00 C ATOM 255 CD2 TYR A 16 2.366 -6.452 8.325 1.00 0.00 C ATOM 256 CE1 TYR A 16 3.742 -8.367 9.759 1.00 0.00 C ATOM 257 CE2 TYR A 16 2.064 -6.664 9.658 1.00 0.00 C ATOM 258 CZ TYR A 16 2.754 -7.621 10.369 1.00 0.00 C ATOM 259 OH TYR A 16 2.458 -7.836 11.696 1.00 0.00 O ATOM 0 H TYR A 16 5.381 -8.194 4.766 1.00 0.00 H new ATOM 0 HA TYR A 16 2.781 -8.885 5.913 1.00 0.00 H new ATOM 0 HB2 TYR A 16 4.740 -6.717 6.132 1.00 0.00 H new ATOM 0 HB3 TYR A 16 3.123 -6.092 5.871 1.00 0.00 H new ATOM 0 HD1 TYR A 16 4.810 -8.735 7.952 1.00 0.00 H new ATOM 0 HD2 TYR A 16 1.823 -5.701 7.770 1.00 0.00 H new ATOM 0 HE1 TYR A 16 4.281 -9.116 10.319 1.00 0.00 H new ATOM 0 HE2 TYR A 16 1.291 -6.082 10.139 1.00 0.00 H new ATOM 0 HH TYR A 16 1.740 -7.229 11.974 1.00 0.00 H new ATOM 269 N CYS A 17 3.117 -7.695 2.959 1.00 0.00 N ATOM 270 CA CYS A 17 2.407 -7.290 1.751 1.00 0.00 C ATOM 271 C CYS A 17 1.455 -8.390 1.285 1.00 0.00 C ATOM 272 O CYS A 17 0.311 -8.120 0.919 1.00 0.00 O ATOM 273 CB CYS A 17 3.403 -6.940 0.637 1.00 0.00 C ATOM 274 SG CYS A 17 4.291 -8.375 -0.058 1.00 0.00 S ATOM 0 H CYS A 17 4.094 -7.949 2.811 1.00 0.00 H new ATOM 0 HA CYS A 17 1.817 -6.404 1.984 1.00 0.00 H new ATOM 0 HB2 CYS A 17 2.868 -6.435 -0.167 1.00 0.00 H new ATOM 0 HB3 CYS A 17 4.133 -6.231 1.028 1.00 0.00 H new ATOM 279 N ASP A 18 1.933 -9.629 1.309 1.00 0.00 N ATOM 280 CA ASP A 18 1.127 -10.770 0.891 1.00 0.00 C ATOM 281 C ASP A 18 -0.069 -10.961 1.818 1.00 0.00 C ATOM 282 O ASP A 18 -1.197 -11.153 1.364 1.00 0.00 O ATOM 283 CB ASP A 18 1.980 -12.040 0.874 1.00 0.00 C ATOM 284 CG ASP A 18 1.598 -12.977 -0.254 1.00 0.00 C ATOM 285 OD1 ASP A 18 0.683 -13.804 -0.056 1.00 0.00 O ATOM 286 OD2 ASP A 18 2.213 -12.883 -1.337 1.00 0.00 O ATOM 0 H ASP A 18 2.876 -9.869 1.614 1.00 0.00 H new ATOM 0 HA ASP A 18 0.756 -10.573 -0.115 1.00 0.00 H new ATOM 0 HB2 ASP A 18 3.031 -11.767 0.776 1.00 0.00 H new ATOM 0 HB3 ASP A 18 1.873 -12.559 1.826 1.00 0.00 H new ATOM 291 N ASN A 19 0.189 -10.907 3.121 1.00 0.00 N ATOM 292 CA ASN A 19 -0.859 -11.076 4.120 1.00 0.00 C ATOM 293 C ASN A 19 -1.988 -10.073 3.907 1.00 0.00 C ATOM 294 O ASN A 19 -3.167 -10.428 3.964 1.00 0.00 O ATOM 295 CB ASN A 19 -0.277 -10.919 5.527 1.00 0.00 C ATOM 296 CG ASN A 19 0.891 -11.853 5.773 1.00 0.00 C ATOM 297 OD1 ASN A 19 1.143 -12.771 4.992 1.00 0.00 O ATOM 298 ND2 ASN A 19 1.612 -11.625 6.865 1.00 0.00 N ATOM 0 H ASN A 19 1.118 -10.747 3.510 1.00 0.00 H new ATOM 0 HA ASN A 19 -1.270 -12.080 4.012 1.00 0.00 H new ATOM 0 HB2 ASN A 19 0.048 -9.889 5.671 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -1.056 -11.113 6.264 1.00 0.00 H new ATOM 0 HD21 ASN A 19 2.410 -12.222 7.083 1.00 0.00 H new ATOM 0 HD22 ASN A 19 1.368 -10.853 7.485 1.00 0.00 H new ATOM 305 N ALA A 20 -1.624 -8.817 3.672 1.00 0.00 N ATOM 306 CA ALA A 20 -2.615 -7.775 3.453 1.00 0.00 C ATOM 307 C ALA A 20 -3.406 -8.036 2.178 1.00 0.00 C ATOM 308 O ALA A 20 -4.617 -7.820 2.134 1.00 0.00 O ATOM 309 CB ALA A 20 -1.953 -6.406 3.406 1.00 0.00 C ATOM 0 H ALA A 20 -0.656 -8.499 3.629 1.00 0.00 H new ATOM 0 HA ALA A 20 -3.312 -7.789 4.291 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -2.711 -5.641 3.241 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -1.444 -6.215 4.351 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -1.229 -6.380 2.592 1.00 0.00 H new ATOM 315 N LYS A 21 -2.722 -8.516 1.145 1.00 0.00 N ATOM 316 CA LYS A 21 -3.372 -8.818 -0.127 1.00 0.00 C ATOM 317 C LYS A 21 -4.595 -9.701 0.098 1.00 0.00 C ATOM 318 O LYS A 21 -5.652 -9.485 -0.496 1.00 0.00 O ATOM 319 CB LYS A 21 -2.392 -9.513 -1.074 1.00 0.00 C ATOM 320 CG LYS A 21 -2.586 -9.135 -2.533 1.00 0.00 C ATOM 321 CD LYS A 21 -2.028 -10.201 -3.463 1.00 0.00 C ATOM 322 CE LYS A 21 -2.877 -10.344 -4.716 1.00 0.00 C ATOM 323 NZ LYS A 21 -2.940 -11.755 -5.187 1.00 0.00 N ATOM 0 H LYS A 21 -1.720 -8.704 1.162 1.00 0.00 H new ATOM 0 HA LYS A 21 -3.694 -7.881 -0.580 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -1.373 -9.265 -0.775 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -2.502 -10.592 -0.969 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -3.648 -8.993 -2.735 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -2.094 -8.183 -2.732 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -1.006 -9.944 -3.742 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -1.985 -11.156 -2.940 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -3.886 -9.984 -4.514 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -2.466 -9.716 -5.506 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -3.528 -11.809 -6.043 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -1.980 -12.092 -5.404 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -3.356 -12.351 -4.443 1.00 0.00 H new ATOM 337 N ARG A 22 -4.442 -10.693 0.971 1.00 0.00 N ATOM 338 CA ARG A 22 -5.532 -11.607 1.291 1.00 0.00 C ATOM 339 C ARG A 22 -6.577 -10.912 2.159 1.00 0.00 C ATOM 340 O ARG A 22 -7.750 -11.281 2.151 1.00 0.00 O ATOM 341 CB ARG A 22 -4.994 -12.844 2.011 1.00 0.00 C ATOM 342 CG ARG A 22 -5.721 -14.127 1.644 1.00 0.00 C ATOM 343 CD ARG A 22 -5.848 -15.059 2.838 1.00 0.00 C ATOM 344 NE ARG A 22 -6.544 -16.297 2.495 1.00 0.00 N ATOM 345 CZ ARG A 22 -7.003 -17.163 3.396 1.00 0.00 C ATOM 346 NH1 ARG A 22 -6.841 -16.931 4.693 1.00 0.00 N ATOM 347 NH2 ARG A 22 -7.627 -18.264 3.000 1.00 0.00 N ATOM 0 H ARG A 22 -3.573 -10.884 1.469 1.00 0.00 H new ATOM 0 HA ARG A 22 -6.003 -11.918 0.359 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -3.935 -12.957 1.779 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -5.069 -12.689 3.087 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -6.713 -13.887 1.262 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -5.184 -14.633 0.842 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -4.855 -15.295 3.220 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -6.385 -14.551 3.639 1.00 0.00 H new ATOM 0 HE ARG A 22 -6.687 -16.510 1.508 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -6.363 -16.085 5.004 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -7.195 -17.598 5.379 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -7.755 -18.448 2.005 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -7.979 -18.927 3.690 1.00 0.00 H new ATOM 361 N LEU A 23 -6.139 -9.897 2.902 1.00 0.00 N ATOM 362 CA LEU A 23 -7.032 -9.140 3.772 1.00 0.00 C ATOM 363 C LEU A 23 -8.182 -8.549 2.965 1.00 0.00 C ATOM 364 O LEU A 23 -9.352 -8.790 3.261 1.00 0.00 O ATOM 365 CB LEU A 23 -6.253 -8.019 4.468 1.00 0.00 C ATOM 366 CG LEU A 23 -6.884 -7.456 5.747 1.00 0.00 C ATOM 367 CD1 LEU A 23 -6.198 -6.159 6.144 1.00 0.00 C ATOM 368 CD2 LEU A 23 -8.376 -7.226 5.568 1.00 0.00 C ATOM 0 H LEU A 23 -5.169 -9.581 2.918 1.00 0.00 H new ATOM 0 HA LEU A 23 -7.442 -9.813 4.525 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -5.258 -8.392 4.711 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -6.123 -7.200 3.760 1.00 0.00 H new ATOM 0 HG LEU A 23 -6.748 -8.189 6.542 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -6.655 -5.769 7.054 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -5.139 -6.347 6.322 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -6.307 -5.429 5.342 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -8.796 -6.827 6.491 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -8.540 -6.516 4.758 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -8.863 -8.171 5.327 1.00 0.00 H new ATOM 380 N LEU A 24 -7.837 -7.781 1.938 1.00 0.00 N ATOM 381 CA LEU A 24 -8.840 -7.157 1.083 1.00 0.00 C ATOM 382 C LEU A 24 -9.677 -8.217 0.375 1.00 0.00 C ATOM 383 O LEU A 24 -10.906 -8.138 0.350 1.00 0.00 O ATOM 384 CB LEU A 24 -8.172 -6.240 0.054 1.00 0.00 C ATOM 385 CG LEU A 24 -7.180 -5.220 0.628 1.00 0.00 C ATOM 386 CD1 LEU A 24 -6.916 -4.108 -0.376 1.00 0.00 C ATOM 387 CD2 LEU A 24 -7.699 -4.639 1.937 1.00 0.00 C ATOM 0 H LEU A 24 -6.872 -7.576 1.677 1.00 0.00 H new ATOM 0 HA LEU A 24 -9.498 -6.557 1.712 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -7.649 -6.860 -0.675 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -8.950 -5.701 -0.486 1.00 0.00 H new ATOM 0 HG LEU A 24 -6.241 -5.736 0.830 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -6.210 -3.394 0.049 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -6.497 -4.533 -1.288 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -7.851 -3.599 -0.609 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -6.980 -3.918 2.326 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -8.653 -4.141 1.761 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -7.837 -5.441 2.662 1.00 0.00 H new ATOM 399 N THR A 25 -9.005 -9.215 -0.192 1.00 0.00 N ATOM 400 CA THR A 25 -9.693 -10.296 -0.889 1.00 0.00 C ATOM 401 C THR A 25 -10.749 -10.921 0.017 1.00 0.00 C ATOM 402 O THR A 25 -11.802 -11.361 -0.445 1.00 0.00 O ATOM 403 CB THR A 25 -8.693 -11.362 -1.340 1.00 0.00 C ATOM 404 OG1 THR A 25 -7.627 -10.774 -2.065 1.00 0.00 O ATOM 405 CG2 THR A 25 -9.312 -12.428 -2.217 1.00 0.00 C ATOM 0 H THR A 25 -7.988 -9.297 -0.182 1.00 0.00 H new ATOM 0 HA THR A 25 -10.184 -9.882 -1.770 1.00 0.00 H new ATOM 0 HB THR A 25 -8.335 -11.831 -0.423 1.00 0.00 H new ATOM 0 HG1 THR A 25 -6.959 -10.424 -1.439 1.00 0.00 H new ATOM 0 HG21 THR A 25 -8.549 -13.153 -2.502 1.00 0.00 H new ATOM 0 HG22 THR A 25 -10.107 -12.934 -1.669 1.00 0.00 H new ATOM 0 HG23 THR A 25 -9.727 -11.966 -3.113 1.00 0.00 H new ATOM 413 N VAL A 26 -10.457 -10.942 1.314 1.00 0.00 N ATOM 414 CA VAL A 26 -11.372 -11.498 2.303 1.00 0.00 C ATOM 415 C VAL A 26 -12.530 -10.538 2.565 1.00 0.00 C ATOM 416 O VAL A 26 -13.640 -10.960 2.888 1.00 0.00 O ATOM 417 CB VAL A 26 -10.638 -11.795 3.629 1.00 0.00 C ATOM 418 CG1 VAL A 26 -11.614 -12.225 4.714 1.00 0.00 C ATOM 419 CG2 VAL A 26 -9.571 -12.858 3.417 1.00 0.00 C ATOM 0 H VAL A 26 -9.588 -10.578 1.705 1.00 0.00 H new ATOM 0 HA VAL A 26 -11.765 -12.432 1.902 1.00 0.00 H new ATOM 0 HB VAL A 26 -10.155 -10.876 3.961 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -11.068 -12.427 5.635 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -12.338 -11.429 4.888 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -12.136 -13.127 4.397 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -9.063 -13.056 4.360 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -10.037 -13.775 3.056 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -8.847 -12.506 2.682 1.00 0.00 H new ATOM 429 N LYS A 27 -12.261 -9.243 2.425 1.00 0.00 N ATOM 430 CA LYS A 27 -13.279 -8.220 2.647 1.00 0.00 C ATOM 431 C LYS A 27 -14.225 -8.106 1.452 1.00 0.00 C ATOM 432 O LYS A 27 -15.247 -7.430 1.531 1.00 0.00 O ATOM 433 CB LYS A 27 -12.620 -6.868 2.926 1.00 0.00 C ATOM 434 CG LYS A 27 -12.286 -6.648 4.393 1.00 0.00 C ATOM 435 CD LYS A 27 -13.541 -6.602 5.251 1.00 0.00 C ATOM 436 CE LYS A 27 -13.380 -7.418 6.523 1.00 0.00 C ATOM 437 NZ LYS A 27 -14.100 -8.719 6.443 1.00 0.00 N ATOM 0 H LYS A 27 -11.347 -8.877 2.159 1.00 0.00 H new ATOM 0 HA LYS A 27 -13.867 -8.518 3.515 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -11.706 -6.790 2.338 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -13.285 -6.072 2.589 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -11.634 -7.449 4.743 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -11.733 -5.715 4.505 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -13.769 -5.568 5.508 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -14.387 -6.982 4.679 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -12.321 -7.600 6.706 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -13.757 -6.846 7.371 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -13.965 -9.245 7.330 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -15.115 -8.546 6.294 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -13.724 -9.276 5.649 1.00 0.00 H new ATOM 451 N LYS A 28 -13.877 -8.771 0.350 1.00 0.00 N ATOM 452 CA LYS A 28 -14.694 -8.751 -0.864 1.00 0.00 C ATOM 453 C LYS A 28 -14.762 -7.346 -1.468 1.00 0.00 C ATOM 454 O LYS A 28 -15.807 -6.908 -1.949 1.00 0.00 O ATOM 455 CB LYS A 28 -16.101 -9.313 -0.579 1.00 0.00 C ATOM 456 CG LYS A 28 -17.166 -8.270 -0.252 1.00 0.00 C ATOM 457 CD LYS A 28 -18.125 -8.767 0.819 1.00 0.00 C ATOM 458 CE LYS A 28 -17.449 -8.863 2.178 1.00 0.00 C ATOM 459 NZ LYS A 28 -18.193 -9.758 3.106 1.00 0.00 N ATOM 0 H LYS A 28 -13.030 -9.333 0.273 1.00 0.00 H new ATOM 0 HA LYS A 28 -14.218 -9.395 -1.604 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -16.429 -9.883 -1.448 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -16.033 -10.012 0.254 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -16.685 -7.352 0.086 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -17.724 -8.023 -1.155 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -18.979 -8.093 0.884 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -18.512 -9.746 0.535 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -16.432 -9.235 2.052 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -17.373 -7.868 2.617 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -17.700 -9.797 4.021 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -19.155 -9.390 3.247 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -18.244 -10.714 2.700 1.00 0.00 H new ATOM 473 N GLN A 29 -13.630 -6.652 -1.455 1.00 0.00 N ATOM 474 CA GLN A 29 -13.551 -5.309 -2.010 1.00 0.00 C ATOM 475 C GLN A 29 -12.487 -5.249 -3.098 1.00 0.00 C ATOM 476 O GLN A 29 -11.459 -5.920 -3.006 1.00 0.00 O ATOM 477 CB GLN A 29 -13.232 -4.296 -0.910 1.00 0.00 C ATOM 478 CG GLN A 29 -14.449 -3.862 -0.109 1.00 0.00 C ATOM 479 CD GLN A 29 -15.188 -2.708 -0.754 1.00 0.00 C ATOM 480 OE1 GLN A 29 -14.726 -1.567 -0.725 1.00 0.00 O ATOM 481 NE2 GLN A 29 -16.345 -2.997 -1.339 1.00 0.00 N ATOM 0 H GLN A 29 -12.754 -6.999 -1.065 1.00 0.00 H new ATOM 0 HA GLN A 29 -14.517 -5.059 -2.448 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -12.497 -4.729 -0.232 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -12.772 -3.417 -1.360 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -15.128 -4.708 0.001 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -14.135 -3.573 0.894 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -16.691 -3.957 -1.340 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -16.888 -2.259 -1.788 1.00 0.00 H new ATOM 490 N PRO A 30 -12.712 -4.444 -4.148 1.00 0.00 N ATOM 491 CA PRO A 30 -11.758 -4.310 -5.248 1.00 0.00 C ATOM 492 C PRO A 30 -10.597 -3.399 -4.884 1.00 0.00 C ATOM 493 O PRO A 30 -10.797 -2.328 -4.314 1.00 0.00 O ATOM 494 CB PRO A 30 -12.600 -3.673 -6.348 1.00 0.00 C ATOM 495 CG PRO A 30 -13.558 -2.818 -5.600 1.00 0.00 C ATOM 496 CD PRO A 30 -13.905 -3.597 -4.356 1.00 0.00 C ATOM 0 HA PRO A 30 -11.305 -5.262 -5.526 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -11.988 -3.086 -7.033 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -13.115 -4.425 -6.946 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -13.112 -1.856 -5.349 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -14.448 -2.612 -6.195 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -14.086 -2.939 -3.506 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -14.806 -4.196 -4.493 1.00 0.00 H new ATOM 504 N PHE A 31 -9.387 -3.819 -5.220 1.00 0.00 N ATOM 505 CA PHE A 31 -8.209 -3.020 -4.924 1.00 0.00 C ATOM 506 C PHE A 31 -7.137 -3.173 -5.997 1.00 0.00 C ATOM 507 O PHE A 31 -7.211 -4.065 -6.842 1.00 0.00 O ATOM 508 CB PHE A 31 -7.651 -3.386 -3.567 1.00 0.00 C ATOM 509 CG PHE A 31 -6.915 -4.683 -3.575 1.00 0.00 C ATOM 510 CD1 PHE A 31 -5.603 -4.736 -3.991 1.00 0.00 C ATOM 511 CD2 PHE A 31 -7.546 -5.850 -3.190 1.00 0.00 C ATOM 512 CE1 PHE A 31 -4.924 -5.932 -4.025 1.00 0.00 C ATOM 513 CE2 PHE A 31 -6.875 -7.052 -3.217 1.00 0.00 C ATOM 514 CZ PHE A 31 -5.559 -7.096 -3.636 1.00 0.00 C ATOM 0 H PHE A 31 -9.196 -4.702 -5.694 1.00 0.00 H new ATOM 0 HA PHE A 31 -8.516 -1.974 -4.912 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -6.981 -2.595 -3.230 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -8.467 -3.441 -2.847 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -5.102 -3.829 -4.294 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -8.575 -5.819 -2.865 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -3.896 -5.961 -4.355 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -7.376 -7.959 -2.911 1.00 0.00 H new ATOM 0 HZ PHE A 31 -5.029 -8.037 -3.659 1.00 0.00 H new ATOM 524 N GLU A 32 -6.135 -2.297 -5.953 1.00 0.00 N ATOM 525 CA GLU A 32 -5.045 -2.339 -6.922 1.00 0.00 C ATOM 526 C GLU A 32 -3.695 -2.153 -6.241 1.00 0.00 C ATOM 527 O GLU A 32 -3.455 -1.141 -5.581 1.00 0.00 O ATOM 528 CB GLU A 32 -5.237 -1.259 -7.990 1.00 0.00 C ATOM 529 CG GLU A 32 -5.457 -1.819 -9.386 1.00 0.00 C ATOM 530 CD GLU A 32 -4.207 -2.457 -9.962 1.00 0.00 C ATOM 531 OE1 GLU A 32 -3.158 -1.782 -9.996 1.00 0.00 O ATOM 532 OE2 GLU A 32 -4.279 -3.633 -10.377 1.00 0.00 O ATOM 0 H GLU A 32 -6.056 -1.553 -5.260 1.00 0.00 H new ATOM 0 HA GLU A 32 -5.061 -3.320 -7.396 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -6.090 -0.638 -7.718 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -4.361 -0.610 -8.001 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -6.257 -2.559 -9.355 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -5.789 -1.018 -10.047 1.00 0.00 H new ATOM 539 N PHE A 33 -2.815 -3.132 -6.415 1.00 0.00 N ATOM 540 CA PHE A 33 -1.488 -3.082 -5.835 1.00 0.00 C ATOM 541 C PHE A 33 -0.518 -2.410 -6.797 1.00 0.00 C ATOM 542 O PHE A 33 -0.690 -2.477 -8.013 1.00 0.00 O ATOM 543 CB PHE A 33 -1.012 -4.496 -5.514 1.00 0.00 C ATOM 544 CG PHE A 33 0.201 -4.522 -4.645 1.00 0.00 C ATOM 545 CD1 PHE A 33 0.077 -4.462 -3.272 1.00 0.00 C ATOM 546 CD2 PHE A 33 1.462 -4.594 -5.202 1.00 0.00 C ATOM 547 CE1 PHE A 33 1.195 -4.475 -2.461 1.00 0.00 C ATOM 548 CE2 PHE A 33 2.588 -4.603 -4.400 1.00 0.00 C ATOM 549 CZ PHE A 33 2.452 -4.543 -3.026 1.00 0.00 C ATOM 0 H PHE A 33 -3.004 -3.974 -6.958 1.00 0.00 H new ATOM 0 HA PHE A 33 -1.525 -2.500 -4.914 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -1.817 -5.041 -5.021 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -0.796 -5.020 -6.445 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -0.905 -4.404 -2.827 1.00 0.00 H new ATOM 0 HD2 PHE A 33 1.570 -4.644 -6.275 1.00 0.00 H new ATOM 0 HE1 PHE A 33 1.086 -4.432 -1.387 1.00 0.00 H new ATOM 0 HE2 PHE A 33 3.570 -4.657 -4.846 1.00 0.00 H new ATOM 0 HZ PHE A 33 3.329 -4.549 -2.395 1.00 0.00 H new ATOM 559 N ILE A 34 0.499 -1.758 -6.247 1.00 0.00 N ATOM 560 CA ILE A 34 1.493 -1.072 -7.060 1.00 0.00 C ATOM 561 C ILE A 34 2.874 -1.187 -6.440 1.00 0.00 C ATOM 562 O ILE A 34 3.110 -0.730 -5.323 1.00 0.00 O ATOM 563 CB ILE A 34 1.165 0.421 -7.235 1.00 0.00 C ATOM 564 CG1 ILE A 34 -0.326 0.623 -7.513 1.00 0.00 C ATOM 565 CG2 ILE A 34 2.004 1.020 -8.353 1.00 0.00 C ATOM 566 CD1 ILE A 34 -0.793 2.046 -7.294 1.00 0.00 C ATOM 0 H ILE A 34 0.656 -1.690 -5.241 1.00 0.00 H new ATOM 0 HA ILE A 34 1.477 -1.557 -8.036 1.00 0.00 H new ATOM 0 HB ILE A 34 1.408 0.936 -6.305 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -0.538 0.334 -8.542 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -0.901 -0.043 -6.870 1.00 0.00 H new ATOM 0 HG21 ILE A 34 1.760 2.077 -8.465 1.00 0.00 H new ATOM 0 HG22 ILE A 34 3.061 0.915 -8.111 1.00 0.00 H new ATOM 0 HG23 ILE A 34 1.792 0.498 -9.286 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -1.859 2.116 -7.510 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -0.613 2.333 -6.258 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -0.244 2.715 -7.957 1.00 0.00 H new ATOM 578 N ASN A 35 3.784 -1.790 -7.183 1.00 0.00 N ATOM 579 CA ASN A 35 5.154 -1.956 -6.724 1.00 0.00 C ATOM 580 C ASN A 35 5.916 -0.649 -6.887 1.00 0.00 C ATOM 581 O ASN A 35 6.199 -0.218 -8.005 1.00 0.00 O ATOM 582 CB ASN A 35 5.852 -3.076 -7.498 1.00 0.00 C ATOM 583 CG ASN A 35 5.684 -2.938 -8.999 1.00 0.00 C ATOM 584 OD1 ASN A 35 5.162 -1.935 -9.487 1.00 0.00 O ATOM 585 ND2 ASN A 35 6.130 -3.946 -9.739 1.00 0.00 N ATOM 0 H ASN A 35 3.600 -2.174 -8.110 1.00 0.00 H new ATOM 0 HA ASN A 35 5.137 -2.230 -5.669 1.00 0.00 H new ATOM 0 HB2 ASN A 35 6.914 -3.075 -7.253 1.00 0.00 H new ATOM 0 HB3 ASN A 35 5.452 -4.038 -7.178 1.00 0.00 H new ATOM 0 HD21 ASN A 35 6.047 -3.909 -10.755 1.00 0.00 H new ATOM 0 HD22 ASN A 35 6.556 -4.758 -9.292 1.00 0.00 H new ATOM 592 N ILE A 36 6.228 -0.012 -5.765 1.00 0.00 N ATOM 593 CA ILE A 36 6.942 1.255 -5.782 1.00 0.00 C ATOM 594 C ILE A 36 8.300 1.119 -6.461 1.00 0.00 C ATOM 595 O ILE A 36 8.811 2.075 -7.044 1.00 0.00 O ATOM 596 CB ILE A 36 7.136 1.806 -4.356 1.00 0.00 C ATOM 597 CG1 ILE A 36 7.932 0.818 -3.501 1.00 0.00 C ATOM 598 CG2 ILE A 36 5.787 2.101 -3.717 1.00 0.00 C ATOM 599 CD1 ILE A 36 8.633 1.466 -2.328 1.00 0.00 C ATOM 0 H ILE A 36 5.997 -0.354 -4.832 1.00 0.00 H new ATOM 0 HA ILE A 36 6.332 1.955 -6.353 1.00 0.00 H new ATOM 0 HB ILE A 36 7.701 2.736 -4.417 1.00 0.00 H new ATOM 0 HG12 ILE A 36 7.258 0.045 -3.130 1.00 0.00 H new ATOM 0 HG13 ILE A 36 8.673 0.321 -4.128 1.00 0.00 H new ATOM 0 HG21 ILE A 36 5.939 2.490 -2.710 1.00 0.00 H new ATOM 0 HG22 ILE A 36 5.255 2.841 -4.315 1.00 0.00 H new ATOM 0 HG23 ILE A 36 5.200 1.184 -3.667 1.00 0.00 H new ATOM 0 HD11 ILE A 36 9.178 0.708 -1.766 1.00 0.00 H new ATOM 0 HD12 ILE A 36 9.332 2.219 -2.692 1.00 0.00 H new ATOM 0 HD13 ILE A 36 7.896 1.939 -1.679 1.00 0.00 H new ATOM 611 N MET A 37 8.880 -0.074 -6.383 1.00 0.00 N ATOM 612 CA MET A 37 10.179 -0.332 -6.991 1.00 0.00 C ATOM 613 C MET A 37 10.085 -1.475 -8.003 1.00 0.00 C ATOM 614 O MET A 37 10.317 -2.635 -7.666 1.00 0.00 O ATOM 615 CB MET A 37 11.213 -0.653 -5.901 1.00 0.00 C ATOM 616 CG MET A 37 12.473 -1.345 -6.413 1.00 0.00 C ATOM 617 SD MET A 37 13.966 -0.811 -5.549 1.00 0.00 S ATOM 618 CE MET A 37 13.425 -0.852 -3.841 1.00 0.00 C ATOM 0 H MET A 37 8.471 -0.877 -5.905 1.00 0.00 H new ATOM 0 HA MET A 37 10.500 0.562 -7.525 1.00 0.00 H new ATOM 0 HB2 MET A 37 11.499 0.274 -5.404 1.00 0.00 H new ATOM 0 HB3 MET A 37 10.745 -1.287 -5.148 1.00 0.00 H new ATOM 0 HG2 MET A 37 12.360 -2.423 -6.301 1.00 0.00 H new ATOM 0 HG3 MET A 37 12.584 -1.145 -7.479 1.00 0.00 H new ATOM 0 HE1 MET A 37 14.286 -1.006 -3.190 1.00 0.00 H new ATOM 0 HE2 MET A 37 12.944 0.093 -3.589 1.00 0.00 H new ATOM 0 HE3 MET A 37 12.716 -1.668 -3.703 1.00 0.00 H new ATOM 628 N PRO A 38 9.738 -1.155 -9.264 1.00 0.00 N ATOM 629 CA PRO A 38 9.609 -2.155 -10.329 1.00 0.00 C ATOM 630 C PRO A 38 10.959 -2.644 -10.848 1.00 0.00 C ATOM 631 O PRO A 38 11.021 -3.538 -11.693 1.00 0.00 O ATOM 632 CB PRO A 38 8.864 -1.395 -11.425 1.00 0.00 C ATOM 633 CG PRO A 38 9.275 0.022 -11.235 1.00 0.00 C ATOM 634 CD PRO A 38 9.437 0.208 -9.750 1.00 0.00 C ATOM 0 HA PRO A 38 9.101 -3.055 -9.982 1.00 0.00 H new ATOM 0 HB2 PRO A 38 9.136 -1.758 -12.416 1.00 0.00 H new ATOM 0 HB3 PRO A 38 7.785 -1.513 -11.327 1.00 0.00 H new ATOM 0 HG2 PRO A 38 10.207 0.232 -11.759 1.00 0.00 H new ATOM 0 HG3 PRO A 38 8.524 0.704 -11.635 1.00 0.00 H new ATOM 0 HD2 PRO A 38 10.243 0.904 -9.518 1.00 0.00 H new ATOM 0 HD3 PRO A 38 8.531 0.606 -9.294 1.00 0.00 H new ATOM 642 N GLU A 39 12.041 -2.056 -10.343 1.00 0.00 N ATOM 643 CA GLU A 39 13.384 -2.438 -10.762 1.00 0.00 C ATOM 644 C GLU A 39 14.331 -2.474 -9.568 1.00 0.00 C ATOM 645 O GLU A 39 14.322 -1.573 -8.728 1.00 0.00 O ATOM 646 CB GLU A 39 13.909 -1.465 -11.820 1.00 0.00 C ATOM 647 CG GLU A 39 12.945 -1.249 -12.977 1.00 0.00 C ATOM 648 CD GLU A 39 13.654 -0.883 -14.266 1.00 0.00 C ATOM 649 OE1 GLU A 39 14.324 -1.763 -14.846 1.00 0.00 O ATOM 650 OE2 GLU A 39 13.535 0.283 -14.698 1.00 0.00 O ATOM 0 H GLU A 39 12.012 -1.314 -9.644 1.00 0.00 H new ATOM 0 HA GLU A 39 13.335 -3.437 -11.195 1.00 0.00 H new ATOM 0 HB2 GLU A 39 14.118 -0.505 -11.348 1.00 0.00 H new ATOM 0 HB3 GLU A 39 14.855 -1.841 -12.211 1.00 0.00 H new ATOM 0 HG2 GLU A 39 12.361 -2.156 -13.133 1.00 0.00 H new ATOM 0 HG3 GLU A 39 12.242 -0.458 -12.716 1.00 0.00 H new ATOM 657 N LYS A 40 15.148 -3.521 -9.493 1.00 0.00 N ATOM 658 CA LYS A 40 16.096 -3.676 -8.393 1.00 0.00 C ATOM 659 C LYS A 40 17.158 -2.588 -8.397 1.00 0.00 C ATOM 660 O LYS A 40 17.952 -2.466 -7.464 1.00 0.00 O ATOM 661 CB LYS A 40 16.756 -5.056 -8.431 1.00 0.00 C ATOM 662 CG LYS A 40 17.252 -5.529 -7.074 1.00 0.00 C ATOM 663 CD LYS A 40 18.585 -6.253 -7.186 1.00 0.00 C ATOM 664 CE LYS A 40 18.470 -7.507 -8.038 1.00 0.00 C ATOM 665 NZ LYS A 40 19.774 -7.885 -8.649 1.00 0.00 N ATOM 0 H LYS A 40 15.173 -4.274 -10.180 1.00 0.00 H new ATOM 0 HA LYS A 40 15.527 -3.581 -7.468 1.00 0.00 H new ATOM 0 HB2 LYS A 40 16.041 -5.781 -8.821 1.00 0.00 H new ATOM 0 HB3 LYS A 40 17.595 -5.030 -9.127 1.00 0.00 H new ATOM 0 HG2 LYS A 40 17.357 -4.674 -6.406 1.00 0.00 H new ATOM 0 HG3 LYS A 40 16.513 -6.194 -6.627 1.00 0.00 H new ATOM 0 HD2 LYS A 40 19.328 -5.584 -7.620 1.00 0.00 H new ATOM 0 HD3 LYS A 40 18.940 -6.520 -6.190 1.00 0.00 H new ATOM 0 HE2 LYS A 40 18.104 -8.330 -7.424 1.00 0.00 H new ATOM 0 HE3 LYS A 40 17.734 -7.345 -8.825 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 19.653 -8.745 -9.222 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 20.111 -7.110 -9.255 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 20.470 -8.065 -7.898 1.00 0.00 H new ATOM 679 N GLY A 41 17.151 -1.801 -9.447 1.00 0.00 N ATOM 680 CA GLY A 41 18.104 -0.714 -9.585 1.00 0.00 C ATOM 681 C GLY A 41 17.607 0.556 -8.930 1.00 0.00 C ATOM 682 O GLY A 41 18.183 1.030 -7.951 1.00 0.00 O ATOM 0 H GLY A 41 16.495 -1.890 -10.223 1.00 0.00 H new ATOM 0 HA2 GLY A 41 19.055 -1.005 -9.138 1.00 0.00 H new ATOM 0 HA3 GLY A 41 18.292 -0.528 -10.642 1.00 0.00 H new ATOM 686 N VAL A 42 16.519 1.093 -9.465 1.00 0.00 N ATOM 687 CA VAL A 42 15.913 2.304 -8.930 1.00 0.00 C ATOM 688 C VAL A 42 14.398 2.190 -8.979 1.00 0.00 C ATOM 689 O VAL A 42 13.827 1.829 -10.007 1.00 0.00 O ATOM 690 CB VAL A 42 16.353 3.560 -9.706 1.00 0.00 C ATOM 691 CG1 VAL A 42 15.963 4.817 -8.944 1.00 0.00 C ATOM 692 CG2 VAL A 42 17.852 3.531 -9.969 1.00 0.00 C ATOM 0 H VAL A 42 16.035 0.705 -10.275 1.00 0.00 H new ATOM 0 HA VAL A 42 16.250 2.408 -7.899 1.00 0.00 H new ATOM 0 HB VAL A 42 15.841 3.569 -10.668 1.00 0.00 H new ATOM 0 HG11 VAL A 42 16.281 5.696 -9.505 1.00 0.00 H new ATOM 0 HG12 VAL A 42 14.881 4.842 -8.813 1.00 0.00 H new ATOM 0 HG13 VAL A 42 16.447 4.815 -7.967 1.00 0.00 H new ATOM 0 HG21 VAL A 42 18.142 4.427 -10.518 1.00 0.00 H new ATOM 0 HG22 VAL A 42 18.387 3.498 -9.020 1.00 0.00 H new ATOM 0 HG23 VAL A 42 18.101 2.648 -10.557 1.00 0.00 H new ATOM 702 N PHE A 43 13.750 2.473 -7.857 1.00 0.00 N ATOM 703 CA PHE A 43 12.300 2.372 -7.776 1.00 0.00 C ATOM 704 C PHE A 43 11.599 3.445 -8.610 1.00 0.00 C ATOM 705 O PHE A 43 12.223 4.399 -9.074 1.00 0.00 O ATOM 706 CB PHE A 43 11.853 2.422 -6.315 1.00 0.00 C ATOM 707 CG PHE A 43 11.977 3.762 -5.650 1.00 0.00 C ATOM 708 CD1 PHE A 43 12.751 4.775 -6.196 1.00 0.00 C ATOM 709 CD2 PHE A 43 11.316 3.997 -4.459 1.00 0.00 C ATOM 710 CE1 PHE A 43 12.858 5.998 -5.563 1.00 0.00 C ATOM 711 CE2 PHE A 43 11.420 5.217 -3.819 1.00 0.00 C ATOM 712 CZ PHE A 43 12.192 6.220 -4.373 1.00 0.00 C ATOM 0 H PHE A 43 14.203 2.773 -6.994 1.00 0.00 H new ATOM 0 HA PHE A 43 12.007 1.411 -8.200 1.00 0.00 H new ATOM 0 HB2 PHE A 43 10.812 2.103 -6.260 1.00 0.00 H new ATOM 0 HB3 PHE A 43 12.439 1.698 -5.748 1.00 0.00 H new ATOM 0 HD1 PHE A 43 13.275 4.606 -7.125 1.00 0.00 H new ATOM 0 HD2 PHE A 43 10.710 3.217 -4.023 1.00 0.00 H new ATOM 0 HE1 PHE A 43 13.462 6.780 -5.998 1.00 0.00 H new ATOM 0 HE2 PHE A 43 10.899 5.386 -2.888 1.00 0.00 H new ATOM 0 HZ PHE A 43 12.275 7.176 -3.877 1.00 0.00 H new ATOM 722 N ASP A 44 10.294 3.259 -8.812 1.00 0.00 N ATOM 723 CA ASP A 44 9.487 4.182 -9.611 1.00 0.00 C ATOM 724 C ASP A 44 9.043 5.397 -8.801 1.00 0.00 C ATOM 725 O ASP A 44 8.051 5.343 -8.076 1.00 0.00 O ATOM 726 CB ASP A 44 8.263 3.451 -10.164 1.00 0.00 C ATOM 727 CG ASP A 44 7.535 4.255 -11.222 1.00 0.00 C ATOM 728 OD1 ASP A 44 6.949 5.299 -10.870 1.00 0.00 O ATOM 729 OD2 ASP A 44 7.549 3.840 -12.399 1.00 0.00 O ATOM 0 H ASP A 44 9.770 2.471 -8.430 1.00 0.00 H new ATOM 0 HA ASP A 44 10.107 4.541 -10.432 1.00 0.00 H new ATOM 0 HB2 ASP A 44 8.575 2.497 -10.588 1.00 0.00 H new ATOM 0 HB3 ASP A 44 7.577 3.227 -9.347 1.00 0.00 H new ATOM 734 N ASP A 45 9.782 6.494 -8.935 1.00 0.00 N ATOM 735 CA ASP A 45 9.465 7.725 -8.219 1.00 0.00 C ATOM 736 C ASP A 45 8.158 8.348 -8.710 1.00 0.00 C ATOM 737 O ASP A 45 7.590 9.211 -8.040 1.00 0.00 O ATOM 738 CB ASP A 45 10.609 8.730 -8.367 1.00 0.00 C ATOM 739 CG ASP A 45 11.019 8.930 -9.813 1.00 0.00 C ATOM 740 OD1 ASP A 45 10.446 9.822 -10.474 1.00 0.00 O ATOM 741 OD2 ASP A 45 11.911 8.195 -10.285 1.00 0.00 O ATOM 0 H ASP A 45 10.606 6.556 -9.534 1.00 0.00 H new ATOM 0 HA ASP A 45 9.337 7.470 -7.167 1.00 0.00 H new ATOM 0 HB2 ASP A 45 10.306 9.687 -7.943 1.00 0.00 H new ATOM 0 HB3 ASP A 45 11.469 8.385 -7.793 1.00 0.00 H new ATOM 746 N GLU A 46 7.681 7.916 -9.875 1.00 0.00 N ATOM 747 CA GLU A 46 6.438 8.451 -10.424 1.00 0.00 C ATOM 748 C GLU A 46 5.260 8.119 -9.512 1.00 0.00 C ATOM 749 O GLU A 46 4.487 9.001 -9.137 1.00 0.00 O ATOM 750 CB GLU A 46 6.185 7.903 -11.831 1.00 0.00 C ATOM 751 CG GLU A 46 7.418 7.912 -12.720 1.00 0.00 C ATOM 752 CD GLU A 46 7.310 8.907 -13.860 1.00 0.00 C ATOM 753 OE1 GLU A 46 6.443 9.802 -13.788 1.00 0.00 O ATOM 754 OE2 GLU A 46 8.094 8.791 -14.826 1.00 0.00 O ATOM 0 H GLU A 46 8.131 7.205 -10.452 1.00 0.00 H new ATOM 0 HA GLU A 46 6.537 9.535 -10.487 1.00 0.00 H new ATOM 0 HB2 GLU A 46 5.812 6.882 -11.752 1.00 0.00 H new ATOM 0 HB3 GLU A 46 5.401 8.493 -12.306 1.00 0.00 H new ATOM 0 HG2 GLU A 46 8.294 8.150 -12.117 1.00 0.00 H new ATOM 0 HG3 GLU A 46 7.574 6.913 -13.128 1.00 0.00 H new ATOM 761 N LYS A 47 5.132 6.845 -9.153 1.00 0.00 N ATOM 762 CA LYS A 47 4.053 6.409 -8.277 1.00 0.00 C ATOM 763 C LYS A 47 4.288 6.910 -6.857 1.00 0.00 C ATOM 764 O LYS A 47 3.350 7.299 -6.162 1.00 0.00 O ATOM 765 CB LYS A 47 3.933 4.882 -8.290 1.00 0.00 C ATOM 766 CG LYS A 47 2.709 4.375 -9.035 1.00 0.00 C ATOM 767 CD LYS A 47 2.659 4.910 -10.457 1.00 0.00 C ATOM 768 CE LYS A 47 1.364 4.525 -11.152 1.00 0.00 C ATOM 769 NZ LYS A 47 0.239 5.421 -10.771 1.00 0.00 N ATOM 0 H LYS A 47 5.760 6.100 -9.455 1.00 0.00 H new ATOM 0 HA LYS A 47 3.118 6.831 -8.645 1.00 0.00 H new ATOM 0 HB2 LYS A 47 4.828 4.459 -8.747 1.00 0.00 H new ATOM 0 HB3 LYS A 47 3.899 4.520 -7.263 1.00 0.00 H new ATOM 0 HG2 LYS A 47 2.720 3.285 -9.056 1.00 0.00 H new ATOM 0 HG3 LYS A 47 1.807 4.674 -8.501 1.00 0.00 H new ATOM 0 HD2 LYS A 47 2.756 5.996 -10.442 1.00 0.00 H new ATOM 0 HD3 LYS A 47 3.506 4.522 -11.023 1.00 0.00 H new ATOM 0 HE2 LYS A 47 1.507 4.562 -12.232 1.00 0.00 H new ATOM 0 HE3 LYS A 47 1.109 3.496 -10.899 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -0.625 5.123 -11.267 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 0.085 5.367 -9.744 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 0.470 6.400 -11.035 1.00 0.00 H new ATOM 783 N ILE A 48 5.550 6.910 -6.438 1.00 0.00 N ATOM 784 CA ILE A 48 5.910 7.380 -5.107 1.00 0.00 C ATOM 785 C ILE A 48 5.670 8.885 -5.005 1.00 0.00 C ATOM 786 O ILE A 48 5.269 9.392 -3.957 1.00 0.00 O ATOM 787 CB ILE A 48 7.392 7.066 -4.781 1.00 0.00 C ATOM 788 CG1 ILE A 48 7.570 5.580 -4.449 1.00 0.00 C ATOM 789 CG2 ILE A 48 7.896 7.929 -3.629 1.00 0.00 C ATOM 790 CD1 ILE A 48 8.338 4.816 -5.501 1.00 0.00 C ATOM 0 H ILE A 48 6.338 6.590 -7.001 1.00 0.00 H new ATOM 0 HA ILE A 48 5.283 6.858 -4.384 1.00 0.00 H new ATOM 0 HB ILE A 48 7.984 7.299 -5.666 1.00 0.00 H new ATOM 0 HG12 ILE A 48 8.088 5.489 -3.494 1.00 0.00 H new ATOM 0 HG13 ILE A 48 6.588 5.124 -4.324 1.00 0.00 H new ATOM 0 HG21 ILE A 48 8.939 7.687 -3.422 1.00 0.00 H new ATOM 0 HG22 ILE A 48 7.815 8.982 -3.900 1.00 0.00 H new ATOM 0 HG23 ILE A 48 7.296 7.736 -2.740 1.00 0.00 H new ATOM 0 HD11 ILE A 48 8.426 3.772 -5.201 1.00 0.00 H new ATOM 0 HD12 ILE A 48 7.810 4.877 -6.453 1.00 0.00 H new ATOM 0 HD13 ILE A 48 9.333 5.247 -5.610 1.00 0.00 H new ATOM 802 N ALA A 49 5.913 9.591 -6.106 1.00 0.00 N ATOM 803 CA ALA A 49 5.720 11.035 -6.149 1.00 0.00 C ATOM 804 C ALA A 49 4.273 11.395 -5.834 1.00 0.00 C ATOM 805 O ALA A 49 4.006 12.285 -5.027 1.00 0.00 O ATOM 806 CB ALA A 49 6.119 11.582 -7.511 1.00 0.00 C ATOM 0 H ALA A 49 6.244 9.185 -6.981 1.00 0.00 H new ATOM 0 HA ALA A 49 6.358 11.489 -5.391 1.00 0.00 H new ATOM 0 HB1 ALA A 49 5.969 12.662 -7.528 1.00 0.00 H new ATOM 0 HB2 ALA A 49 7.169 11.358 -7.700 1.00 0.00 H new ATOM 0 HB3 ALA A 49 5.505 11.119 -8.283 1.00 0.00 H new ATOM 812 N GLU A 50 3.343 10.693 -6.475 1.00 0.00 N ATOM 813 CA GLU A 50 1.923 10.936 -6.256 1.00 0.00 C ATOM 814 C GLU A 50 1.562 10.686 -4.795 1.00 0.00 C ATOM 815 O GLU A 50 0.770 11.423 -4.206 1.00 0.00 O ATOM 816 CB GLU A 50 1.084 10.035 -7.169 1.00 0.00 C ATOM 817 CG GLU A 50 -0.399 10.016 -6.821 1.00 0.00 C ATOM 818 CD GLU A 50 -1.286 10.314 -8.014 1.00 0.00 C ATOM 819 OE1 GLU A 50 -1.505 11.509 -8.306 1.00 0.00 O ATOM 820 OE2 GLU A 50 -1.761 9.355 -8.655 1.00 0.00 O ATOM 0 H GLU A 50 3.547 9.954 -7.148 1.00 0.00 H new ATOM 0 HA GLU A 50 1.707 11.977 -6.496 1.00 0.00 H new ATOM 0 HB2 GLU A 50 1.201 10.369 -8.200 1.00 0.00 H new ATOM 0 HB3 GLU A 50 1.473 9.018 -7.117 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -0.660 9.039 -6.415 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -0.593 10.749 -6.038 1.00 0.00 H new ATOM 827 N LEU A 51 2.157 9.649 -4.214 1.00 0.00 N ATOM 828 CA LEU A 51 1.907 9.303 -2.822 1.00 0.00 C ATOM 829 C LEU A 51 2.222 10.487 -1.914 1.00 0.00 C ATOM 830 O LEU A 51 1.399 10.891 -1.091 1.00 0.00 O ATOM 831 CB LEU A 51 2.754 8.091 -2.426 1.00 0.00 C ATOM 832 CG LEU A 51 2.859 7.825 -0.924 1.00 0.00 C ATOM 833 CD1 LEU A 51 1.479 7.814 -0.287 1.00 0.00 C ATOM 834 CD2 LEU A 51 3.577 6.508 -0.671 1.00 0.00 C ATOM 0 H LEU A 51 2.817 9.033 -4.688 1.00 0.00 H new ATOM 0 HA LEU A 51 0.853 9.051 -2.707 1.00 0.00 H new ATOM 0 HB2 LEU A 51 2.337 7.206 -2.906 1.00 0.00 H new ATOM 0 HB3 LEU A 51 3.759 8.226 -2.825 1.00 0.00 H new ATOM 0 HG LEU A 51 3.438 8.628 -0.468 1.00 0.00 H new ATOM 0 HD11 LEU A 51 1.573 7.623 0.782 1.00 0.00 H new ATOM 0 HD12 LEU A 51 0.999 8.780 -0.442 1.00 0.00 H new ATOM 0 HD13 LEU A 51 0.874 7.031 -0.743 1.00 0.00 H new ATOM 0 HD21 LEU A 51 3.645 6.331 0.402 1.00 0.00 H new ATOM 0 HD22 LEU A 51 3.021 5.695 -1.138 1.00 0.00 H new ATOM 0 HD23 LEU A 51 4.580 6.553 -1.095 1.00 0.00 H new ATOM 846 N LEU A 52 3.418 11.045 -2.079 1.00 0.00 N ATOM 847 CA LEU A 52 3.851 12.183 -1.289 1.00 0.00 C ATOM 848 C LEU A 52 2.814 13.297 -1.301 1.00 0.00 C ATOM 849 O LEU A 52 2.481 13.868 -0.264 1.00 0.00 O ATOM 850 CB LEU A 52 5.162 12.679 -1.829 1.00 0.00 C ATOM 851 CG LEU A 52 6.306 11.729 -1.547 1.00 0.00 C ATOM 852 CD1 LEU A 52 7.543 12.236 -2.210 1.00 0.00 C ATOM 853 CD2 LEU A 52 6.515 11.572 -0.050 1.00 0.00 C ATOM 0 H LEU A 52 4.106 10.721 -2.759 1.00 0.00 H new ATOM 0 HA LEU A 52 3.972 11.867 -0.253 1.00 0.00 H new ATOM 0 HB2 LEU A 52 5.075 12.827 -2.905 1.00 0.00 H new ATOM 0 HB3 LEU A 52 5.386 13.652 -1.391 1.00 0.00 H new ATOM 0 HG LEU A 52 6.066 10.745 -1.951 1.00 0.00 H new ATOM 0 HD11 LEU A 52 8.369 11.554 -2.009 1.00 0.00 H new ATOM 0 HD12 LEU A 52 7.379 12.300 -3.286 1.00 0.00 H new ATOM 0 HD13 LEU A 52 7.786 13.225 -1.820 1.00 0.00 H new ATOM 0 HD21 LEU A 52 7.342 10.885 0.132 1.00 0.00 H new ATOM 0 HD22 LEU A 52 6.746 12.543 0.389 1.00 0.00 H new ATOM 0 HD23 LEU A 52 5.607 11.175 0.405 1.00 0.00 H new ATOM 865 N THR A 53 2.304 13.592 -2.491 1.00 0.00 N ATOM 866 CA THR A 53 1.297 14.631 -2.656 1.00 0.00 C ATOM 867 C THR A 53 0.036 14.286 -1.871 1.00 0.00 C ATOM 868 O THR A 53 -0.560 15.146 -1.222 1.00 0.00 O ATOM 869 CB THR A 53 0.960 14.812 -4.138 1.00 0.00 C ATOM 870 OG1 THR A 53 2.121 15.144 -4.879 1.00 0.00 O ATOM 871 CG2 THR A 53 -0.070 15.891 -4.392 1.00 0.00 C ATOM 0 H THR A 53 2.573 13.125 -3.357 1.00 0.00 H new ATOM 0 HA THR A 53 1.702 15.566 -2.269 1.00 0.00 H new ATOM 0 HB THR A 53 0.546 13.856 -4.458 1.00 0.00 H new ATOM 0 HG1 THR A 53 1.886 15.254 -5.824 1.00 0.00 H new ATOM 0 HG21 THR A 53 -0.262 15.966 -5.462 1.00 0.00 H new ATOM 0 HG22 THR A 53 -0.996 15.640 -3.874 1.00 0.00 H new ATOM 0 HG23 THR A 53 0.304 16.846 -4.023 1.00 0.00 H new ATOM 879 N LYS A 54 -0.362 13.018 -1.932 1.00 0.00 N ATOM 880 CA LYS A 54 -1.549 12.555 -1.225 1.00 0.00 C ATOM 881 C LYS A 54 -1.397 12.764 0.279 1.00 0.00 C ATOM 882 O LYS A 54 -2.351 13.130 0.966 1.00 0.00 O ATOM 883 CB LYS A 54 -1.807 11.076 -1.528 1.00 0.00 C ATOM 884 CG LYS A 54 -2.894 10.851 -2.568 1.00 0.00 C ATOM 885 CD LYS A 54 -2.344 10.187 -3.823 1.00 0.00 C ATOM 886 CE LYS A 54 -2.747 8.724 -3.903 1.00 0.00 C ATOM 887 NZ LYS A 54 -3.165 8.338 -5.280 1.00 0.00 N ATOM 0 H LYS A 54 0.121 12.294 -2.464 1.00 0.00 H new ATOM 0 HA LYS A 54 -2.402 13.139 -1.571 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -0.881 10.618 -1.876 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -2.087 10.568 -0.605 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -3.682 10.229 -2.143 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -3.349 11.806 -2.831 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -2.709 10.714 -4.704 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -1.257 10.267 -3.831 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -1.911 8.099 -3.589 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -3.565 8.534 -3.208 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -4.193 8.180 -5.299 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -2.919 9.100 -5.944 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -2.675 7.464 -5.559 1.00 0.00 H new ATOM 901 N LEU A 55 -0.189 12.532 0.781 1.00 0.00 N ATOM 902 CA LEU A 55 0.096 12.698 2.203 1.00 0.00 C ATOM 903 C LEU A 55 -0.166 14.133 2.647 1.00 0.00 C ATOM 904 O LEU A 55 -0.978 14.382 3.538 1.00 0.00 O ATOM 905 CB LEU A 55 1.552 12.328 2.500 1.00 0.00 C ATOM 906 CG LEU A 55 1.910 10.842 2.351 1.00 0.00 C ATOM 907 CD1 LEU A 55 2.832 10.410 3.476 1.00 0.00 C ATOM 908 CD2 LEU A 55 0.663 9.969 2.327 1.00 0.00 C ATOM 0 H LEU A 55 0.610 12.228 0.224 1.00 0.00 H new ATOM 0 HA LEU A 55 -0.566 12.033 2.758 1.00 0.00 H new ATOM 0 HB2 LEU A 55 2.196 12.905 1.837 1.00 0.00 H new ATOM 0 HB3 LEU A 55 1.785 12.638 3.519 1.00 0.00 H new ATOM 0 HG LEU A 55 2.425 10.715 1.399 1.00 0.00 H new ATOM 0 HD11 LEU A 55 3.079 9.355 3.359 1.00 0.00 H new ATOM 0 HD12 LEU A 55 3.747 11.002 3.444 1.00 0.00 H new ATOM 0 HD13 LEU A 55 2.334 10.562 4.433 1.00 0.00 H new ATOM 0 HD21 LEU A 55 0.953 8.924 2.221 1.00 0.00 H new ATOM 0 HD22 LEU A 55 0.110 10.099 3.257 1.00 0.00 H new ATOM 0 HD23 LEU A 55 0.033 10.258 1.486 1.00 0.00 H new ATOM 920 N GLY A 56 0.535 15.071 2.020 1.00 0.00 N ATOM 921 CA GLY A 56 0.382 16.475 2.358 1.00 0.00 C ATOM 922 C GLY A 56 1.617 17.281 2.013 1.00 0.00 C ATOM 923 O GLY A 56 1.537 18.485 1.768 1.00 0.00 O ATOM 0 H GLY A 56 1.211 14.883 1.279 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -0.477 16.884 1.827 1.00 0.00 H new ATOM 0 HA3 GLY A 56 0.173 16.570 3.424 1.00 0.00 H new ATOM 927 N ARG A 57 2.763 16.609 1.993 1.00 0.00 N ATOM 928 CA ARG A 57 4.033 17.251 1.675 1.00 0.00 C ATOM 929 C ARG A 57 4.841 16.380 0.715 1.00 0.00 C ATOM 930 O ARG A 57 4.292 15.492 0.064 1.00 0.00 O ATOM 931 CB ARG A 57 4.828 17.507 2.958 1.00 0.00 C ATOM 932 CG ARG A 57 4.012 18.180 4.050 1.00 0.00 C ATOM 933 CD ARG A 57 4.637 17.982 5.420 1.00 0.00 C ATOM 934 NE ARG A 57 3.862 18.637 6.472 1.00 0.00 N ATOM 935 CZ ARG A 57 4.036 18.413 7.771 1.00 0.00 C ATOM 936 NH1 ARG A 57 4.956 17.553 8.186 1.00 0.00 N ATOM 937 NH2 ARG A 57 3.285 19.050 8.660 1.00 0.00 N ATOM 0 H ARG A 57 2.838 15.612 2.195 1.00 0.00 H new ATOM 0 HA ARG A 57 3.832 18.206 1.190 1.00 0.00 H new ATOM 0 HB2 ARG A 57 5.212 16.559 3.334 1.00 0.00 H new ATOM 0 HB3 ARG A 57 5.691 18.130 2.724 1.00 0.00 H new ATOM 0 HG2 ARG A 57 3.929 19.246 3.838 1.00 0.00 H new ATOM 0 HG3 ARG A 57 3.000 17.776 4.050 1.00 0.00 H new ATOM 0 HD2 ARG A 57 4.712 16.916 5.634 1.00 0.00 H new ATOM 0 HD3 ARG A 57 5.652 18.378 5.417 1.00 0.00 H new ATOM 0 HE ARG A 57 3.145 19.306 6.193 1.00 0.00 H new ATOM 0 HH11 ARG A 57 5.535 17.059 7.507 1.00 0.00 H new ATOM 0 HH12 ARG A 57 5.084 17.386 9.184 1.00 0.00 H new ATOM 0 HH21 ARG A 57 2.574 19.711 8.347 1.00 0.00 H new ATOM 0 HH22 ARG A 57 3.418 18.878 9.657 1.00 0.00 H new ATOM 951 N ASP A 58 6.140 16.640 0.623 1.00 0.00 N ATOM 952 CA ASP A 58 7.010 15.874 -0.266 1.00 0.00 C ATOM 953 C ASP A 58 8.056 15.086 0.524 1.00 0.00 C ATOM 954 O ASP A 58 9.112 14.741 -0.006 1.00 0.00 O ATOM 955 CB ASP A 58 7.702 16.808 -1.265 1.00 0.00 C ATOM 956 CG ASP A 58 8.221 18.074 -0.611 1.00 0.00 C ATOM 957 OD1 ASP A 58 9.108 17.971 0.263 1.00 0.00 O ATOM 958 OD2 ASP A 58 7.741 19.169 -0.973 1.00 0.00 O ATOM 0 H ASP A 58 6.614 17.373 1.151 1.00 0.00 H new ATOM 0 HA ASP A 58 6.389 15.163 -0.810 1.00 0.00 H new ATOM 0 HB2 ASP A 58 8.531 16.280 -1.737 1.00 0.00 H new ATOM 0 HB3 ASP A 58 7.001 17.073 -2.056 1.00 0.00 H new ATOM 963 N THR A 59 7.761 14.810 1.793 1.00 0.00 N ATOM 964 CA THR A 59 8.685 14.070 2.649 1.00 0.00 C ATOM 965 C THR A 59 8.055 12.784 3.187 1.00 0.00 C ATOM 966 O THR A 59 6.871 12.752 3.522 1.00 0.00 O ATOM 967 CB THR A 59 9.138 14.949 3.816 1.00 0.00 C ATOM 968 OG1 THR A 59 9.982 14.225 4.693 1.00 0.00 O ATOM 969 CG2 THR A 59 7.988 15.496 4.636 1.00 0.00 C ATOM 0 H THR A 59 6.892 15.087 2.250 1.00 0.00 H new ATOM 0 HA THR A 59 9.546 13.793 2.041 1.00 0.00 H new ATOM 0 HB THR A 59 9.668 15.784 3.358 1.00 0.00 H new ATOM 0 HG1 THR A 59 10.262 14.806 5.431 1.00 0.00 H new ATOM 0 HG21 THR A 59 8.379 16.110 5.447 1.00 0.00 H new ATOM 0 HG22 THR A 59 7.344 16.102 4.000 1.00 0.00 H new ATOM 0 HG23 THR A 59 7.412 14.669 5.052 1.00 0.00 H new ATOM 977 N GLN A 60 8.869 11.733 3.290 1.00 0.00 N ATOM 978 CA GLN A 60 8.417 10.445 3.809 1.00 0.00 C ATOM 979 C GLN A 60 8.770 10.338 5.287 1.00 0.00 C ATOM 980 O GLN A 60 9.913 10.054 5.647 1.00 0.00 O ATOM 981 CB GLN A 60 9.064 9.292 3.037 1.00 0.00 C ATOM 982 CG GLN A 60 9.280 9.581 1.559 1.00 0.00 C ATOM 983 CD GLN A 60 9.840 8.389 0.806 1.00 0.00 C ATOM 984 OE1 GLN A 60 9.136 7.408 0.559 1.00 0.00 O ATOM 985 NE2 GLN A 60 11.115 8.468 0.436 1.00 0.00 N ATOM 0 H GLN A 60 9.852 11.751 3.018 1.00 0.00 H new ATOM 0 HA GLN A 60 7.336 10.379 3.685 1.00 0.00 H new ATOM 0 HB2 GLN A 60 10.025 9.056 3.495 1.00 0.00 H new ATOM 0 HB3 GLN A 60 8.437 8.406 3.136 1.00 0.00 H new ATOM 0 HG2 GLN A 60 8.333 9.878 1.109 1.00 0.00 H new ATOM 0 HG3 GLN A 60 9.961 10.425 1.454 1.00 0.00 H new ATOM 0 HE21 GLN A 60 11.661 9.300 0.662 1.00 0.00 H new ATOM 0 HE22 GLN A 60 11.547 7.697 -0.073 1.00 0.00 H new ATOM 994 N ILE A 61 7.787 10.594 6.134 1.00 0.00 N ATOM 995 CA ILE A 61 7.995 10.562 7.579 1.00 0.00 C ATOM 996 C ILE A 61 8.166 9.143 8.111 1.00 0.00 C ATOM 997 O ILE A 61 7.248 8.577 8.707 1.00 0.00 O ATOM 998 CB ILE A 61 6.829 11.237 8.339 1.00 0.00 C ATOM 999 CG1 ILE A 61 6.244 12.402 7.531 1.00 0.00 C ATOM 1000 CG2 ILE A 61 7.296 11.717 9.707 1.00 0.00 C ATOM 1001 CD1 ILE A 61 4.999 12.033 6.753 1.00 0.00 C ATOM 0 H ILE A 61 6.835 10.827 5.850 1.00 0.00 H new ATOM 0 HA ILE A 61 8.917 11.117 7.755 1.00 0.00 H new ATOM 0 HB ILE A 61 6.041 10.496 8.478 1.00 0.00 H new ATOM 0 HG12 ILE A 61 6.009 13.222 8.209 1.00 0.00 H new ATOM 0 HG13 ILE A 61 7.001 12.769 6.837 1.00 0.00 H new ATOM 0 HG21 ILE A 61 6.465 12.190 10.230 1.00 0.00 H new ATOM 0 HG22 ILE A 61 7.654 10.867 10.288 1.00 0.00 H new ATOM 0 HG23 ILE A 61 8.104 12.438 9.583 1.00 0.00 H new ATOM 0 HD11 ILE A 61 4.640 12.905 6.206 1.00 0.00 H new ATOM 0 HD12 ILE A 61 5.233 11.234 6.050 1.00 0.00 H new ATOM 0 HD13 ILE A 61 4.226 11.694 7.443 1.00 0.00 H new ATOM 1013 N GLY A 62 9.362 8.589 7.907 1.00 0.00 N ATOM 1014 CA GLY A 62 9.682 7.246 8.378 1.00 0.00 C ATOM 1015 C GLY A 62 8.512 6.293 8.289 1.00 0.00 C ATOM 1016 O GLY A 62 8.389 5.367 9.093 1.00 0.00 O ATOM 0 H GLY A 62 10.126 9.054 7.416 1.00 0.00 H new ATOM 0 HA2 GLY A 62 10.511 6.850 7.792 1.00 0.00 H new ATOM 0 HA3 GLY A 62 10.020 7.301 9.413 1.00 0.00 H new ATOM 1020 N LEU A 63 7.646 6.528 7.318 1.00 0.00 N ATOM 1021 CA LEU A 63 6.470 5.687 7.135 1.00 0.00 C ATOM 1022 C LEU A 63 6.861 4.270 6.733 1.00 0.00 C ATOM 1023 O LEU A 63 7.983 4.023 6.291 1.00 0.00 O ATOM 1024 CB LEU A 63 5.526 6.290 6.093 1.00 0.00 C ATOM 1025 CG LEU A 63 4.206 6.816 6.661 1.00 0.00 C ATOM 1026 CD1 LEU A 63 3.409 5.689 7.306 1.00 0.00 C ATOM 1027 CD2 LEU A 63 4.475 7.915 7.674 1.00 0.00 C ATOM 0 H LEU A 63 7.732 7.290 6.646 1.00 0.00 H new ATOM 0 HA LEU A 63 5.949 5.639 8.091 1.00 0.00 H new ATOM 0 HB2 LEU A 63 6.040 7.107 5.586 1.00 0.00 H new ATOM 0 HB3 LEU A 63 5.307 5.534 5.339 1.00 0.00 H new ATOM 0 HG LEU A 63 3.617 7.226 5.841 1.00 0.00 H new ATOM 0 HD11 LEU A 63 2.474 6.085 7.703 1.00 0.00 H new ATOM 0 HD12 LEU A 63 3.191 4.924 6.560 1.00 0.00 H new ATOM 0 HD13 LEU A 63 3.990 5.250 8.117 1.00 0.00 H new ATOM 0 HD21 LEU A 63 3.529 8.282 8.072 1.00 0.00 H new ATOM 0 HD22 LEU A 63 5.082 7.519 8.488 1.00 0.00 H new ATOM 0 HD23 LEU A 63 5.007 8.734 7.190 1.00 0.00 H new ATOM 1039 N THR A 64 5.923 3.344 6.896 1.00 0.00 N ATOM 1040 CA THR A 64 6.159 1.945 6.555 1.00 0.00 C ATOM 1041 C THR A 64 5.369 1.542 5.314 1.00 0.00 C ATOM 1042 O THR A 64 4.372 2.174 4.966 1.00 0.00 O ATOM 1043 CB THR A 64 5.775 1.038 7.727 1.00 0.00 C ATOM 1044 OG1 THR A 64 6.007 1.687 8.966 1.00 0.00 O ATOM 1045 CG2 THR A 64 6.531 -0.274 7.747 1.00 0.00 C ATOM 0 H THR A 64 4.991 3.537 7.263 1.00 0.00 H new ATOM 0 HA THR A 64 7.222 1.828 6.343 1.00 0.00 H new ATOM 0 HB THR A 64 4.715 0.825 7.586 1.00 0.00 H new ATOM 0 HG1 THR A 64 5.753 1.090 9.701 1.00 0.00 H new ATOM 0 HG21 THR A 64 6.209 -0.866 8.603 1.00 0.00 H new ATOM 0 HG22 THR A 64 6.329 -0.825 6.828 1.00 0.00 H new ATOM 0 HG23 THR A 64 7.600 -0.077 7.824 1.00 0.00 H new ATOM 1053 N MET A 65 5.816 0.477 4.657 1.00 0.00 N ATOM 1054 CA MET A 65 5.151 -0.022 3.460 1.00 0.00 C ATOM 1055 C MET A 65 4.598 -1.421 3.699 1.00 0.00 C ATOM 1056 O MET A 65 5.066 -2.134 4.586 1.00 0.00 O ATOM 1057 CB MET A 65 6.121 -0.034 2.276 1.00 0.00 C ATOM 1058 CG MET A 65 6.386 1.344 1.696 1.00 0.00 C ATOM 1059 SD MET A 65 8.119 1.595 1.262 1.00 0.00 S ATOM 1060 CE MET A 65 8.784 2.161 2.827 1.00 0.00 C ATOM 0 H MET A 65 6.639 -0.058 4.935 1.00 0.00 H new ATOM 0 HA MET A 65 4.321 0.645 3.226 1.00 0.00 H new ATOM 0 HB2 MET A 65 7.066 -0.473 2.595 1.00 0.00 H new ATOM 0 HB3 MET A 65 5.719 -0.678 1.494 1.00 0.00 H new ATOM 0 HG2 MET A 65 5.769 1.485 0.808 1.00 0.00 H new ATOM 0 HG3 MET A 65 6.083 2.102 2.418 1.00 0.00 H new ATOM 0 HE1 MET A 65 9.850 2.359 2.719 1.00 0.00 H new ATOM 0 HE2 MET A 65 8.274 3.076 3.129 1.00 0.00 H new ATOM 0 HE3 MET A 65 8.632 1.393 3.586 1.00 0.00 H new ATOM 1070 N PRO A 66 3.583 -1.838 2.920 1.00 0.00 N ATOM 1071 CA PRO A 66 2.982 -1.037 1.849 1.00 0.00 C ATOM 1072 C PRO A 66 1.968 -0.020 2.363 1.00 0.00 C ATOM 1073 O PRO A 66 1.255 -0.273 3.336 1.00 0.00 O ATOM 1074 CB PRO A 66 2.267 -2.086 0.977 1.00 0.00 C ATOM 1075 CG PRO A 66 2.608 -3.412 1.574 1.00 0.00 C ATOM 1076 CD PRO A 66 2.939 -3.144 3.010 1.00 0.00 C ATOM 0 HA PRO A 66 3.735 -0.450 1.324 1.00 0.00 H new ATOM 0 HB2 PRO A 66 1.189 -1.924 0.975 1.00 0.00 H new ATOM 0 HB3 PRO A 66 2.600 -2.026 -0.059 1.00 0.00 H new ATOM 0 HG2 PRO A 66 1.771 -4.105 1.489 1.00 0.00 H new ATOM 0 HG3 PRO A 66 3.453 -3.867 1.057 1.00 0.00 H new ATOM 0 HD2 PRO A 66 2.049 -3.120 3.639 1.00 0.00 H new ATOM 0 HD3 PRO A 66 3.603 -3.901 3.426 1.00 0.00 H new ATOM 1084 N GLN A 67 1.889 1.118 1.680 1.00 0.00 N ATOM 1085 CA GLN A 67 0.943 2.167 2.045 1.00 0.00 C ATOM 1086 C GLN A 67 -0.345 2.008 1.249 1.00 0.00 C ATOM 1087 O GLN A 67 -0.311 1.759 0.048 1.00 0.00 O ATOM 1088 CB GLN A 67 1.551 3.548 1.787 1.00 0.00 C ATOM 1089 CG GLN A 67 1.042 4.624 2.735 1.00 0.00 C ATOM 1090 CD GLN A 67 2.085 5.048 3.750 1.00 0.00 C ATOM 1091 OE1 GLN A 67 2.180 6.222 4.106 1.00 0.00 O ATOM 1092 NE2 GLN A 67 2.871 4.090 4.228 1.00 0.00 N ATOM 0 H GLN A 67 2.469 1.337 0.870 1.00 0.00 H new ATOM 0 HA GLN A 67 0.718 2.078 3.108 1.00 0.00 H new ATOM 0 HB2 GLN A 67 2.635 3.481 1.876 1.00 0.00 H new ATOM 0 HB3 GLN A 67 1.333 3.846 0.762 1.00 0.00 H new ATOM 0 HG2 GLN A 67 0.728 5.493 2.157 1.00 0.00 H new ATOM 0 HG3 GLN A 67 0.160 4.254 3.258 1.00 0.00 H new ATOM 0 HE21 GLN A 67 2.758 3.129 3.905 1.00 0.00 H new ATOM 0 HE22 GLN A 67 3.588 4.315 4.918 1.00 0.00 H new ATOM 1101 N VAL A 68 -1.483 2.140 1.915 1.00 0.00 N ATOM 1102 CA VAL A 68 -2.763 1.993 1.236 1.00 0.00 C ATOM 1103 C VAL A 68 -3.533 3.307 1.197 1.00 0.00 C ATOM 1104 O VAL A 68 -3.287 4.209 1.998 1.00 0.00 O ATOM 1105 CB VAL A 68 -3.641 0.909 1.895 1.00 0.00 C ATOM 1106 CG1 VAL A 68 -4.743 0.469 0.943 1.00 0.00 C ATOM 1107 CG2 VAL A 68 -2.797 -0.284 2.329 1.00 0.00 C ATOM 0 H VAL A 68 -1.547 2.346 2.912 1.00 0.00 H new ATOM 0 HA VAL A 68 -2.533 1.686 0.216 1.00 0.00 H new ATOM 0 HB VAL A 68 -4.103 1.337 2.785 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -5.354 -0.296 1.422 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -5.367 1.325 0.689 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -4.298 0.062 0.035 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -3.438 -1.035 2.791 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -2.302 -0.715 1.459 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -2.046 0.044 3.048 1.00 0.00 H new ATOM 1117 N PHE A 69 -4.474 3.403 0.261 1.00 0.00 N ATOM 1118 CA PHE A 69 -5.283 4.605 0.116 1.00 0.00 C ATOM 1119 C PHE A 69 -6.721 4.245 -0.247 1.00 0.00 C ATOM 1120 O PHE A 69 -6.976 3.244 -0.917 1.00 0.00 O ATOM 1121 CB PHE A 69 -4.679 5.526 -0.943 1.00 0.00 C ATOM 1122 CG PHE A 69 -3.535 6.340 -0.419 1.00 0.00 C ATOM 1123 CD1 PHE A 69 -2.263 5.795 -0.333 1.00 0.00 C ATOM 1124 CD2 PHE A 69 -3.732 7.644 -0.002 1.00 0.00 C ATOM 1125 CE1 PHE A 69 -1.209 6.539 0.158 1.00 0.00 C ATOM 1126 CE2 PHE A 69 -2.682 8.393 0.493 1.00 0.00 C ATOM 1127 CZ PHE A 69 -1.418 7.840 0.573 1.00 0.00 C ATOM 0 H PHE A 69 -4.693 2.663 -0.406 1.00 0.00 H new ATOM 0 HA PHE A 69 -5.293 5.131 1.070 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -4.336 4.927 -1.787 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -5.452 6.195 -1.320 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -2.095 4.777 -0.654 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -4.717 8.081 -0.064 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -0.222 6.104 0.218 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -2.849 9.410 0.817 1.00 0.00 H new ATOM 0 HZ PHE A 69 -0.595 8.424 0.959 1.00 0.00 H new ATOM 1137 N ALA A 70 -7.657 5.056 0.231 1.00 0.00 N ATOM 1138 CA ALA A 70 -9.078 4.827 -0.001 1.00 0.00 C ATOM 1139 C ALA A 70 -9.421 4.730 -1.487 1.00 0.00 C ATOM 1140 O ALA A 70 -8.687 5.225 -2.342 1.00 0.00 O ATOM 1141 CB ALA A 70 -9.896 5.928 0.652 1.00 0.00 C ATOM 0 H ALA A 70 -7.454 5.887 0.787 1.00 0.00 H new ATOM 0 HA ALA A 70 -9.327 3.866 0.449 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -10.956 5.748 0.473 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -9.705 5.935 1.725 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -9.615 6.891 0.227 1.00 0.00 H new ATOM 1147 N PRO A 71 -10.561 4.085 -1.803 1.00 0.00 N ATOM 1148 CA PRO A 71 -11.038 3.920 -3.184 1.00 0.00 C ATOM 1149 C PRO A 71 -11.296 5.258 -3.870 1.00 0.00 C ATOM 1150 O PRO A 71 -11.239 5.359 -5.095 1.00 0.00 O ATOM 1151 CB PRO A 71 -12.355 3.148 -3.015 1.00 0.00 C ATOM 1152 CG PRO A 71 -12.247 2.500 -1.682 1.00 0.00 C ATOM 1153 CD PRO A 71 -11.487 3.472 -0.833 1.00 0.00 C ATOM 0 HA PRO A 71 -10.305 3.412 -3.810 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -13.214 3.817 -3.061 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -12.484 2.408 -3.805 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -13.232 2.297 -1.262 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -11.726 1.545 -1.750 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -12.144 4.212 -0.376 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -10.955 2.974 -0.023 1.00 0.00 H new ATOM 1161 N ASP A 72 -11.587 6.280 -3.072 1.00 0.00 N ATOM 1162 CA ASP A 72 -11.861 7.611 -3.602 1.00 0.00 C ATOM 1163 C ASP A 72 -10.627 8.507 -3.526 1.00 0.00 C ATOM 1164 O ASP A 72 -10.533 9.508 -4.237 1.00 0.00 O ATOM 1165 CB ASP A 72 -13.021 8.253 -2.841 1.00 0.00 C ATOM 1166 CG ASP A 72 -14.212 8.541 -3.733 1.00 0.00 C ATOM 1167 OD1 ASP A 72 -14.186 9.567 -4.444 1.00 0.00 O ATOM 1168 OD2 ASP A 72 -15.170 7.740 -3.721 1.00 0.00 O ATOM 0 H ASP A 72 -11.639 6.212 -2.056 1.00 0.00 H new ATOM 0 HA ASP A 72 -12.134 7.502 -4.652 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -13.329 7.592 -2.031 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -12.681 9.182 -2.383 1.00 0.00 H new ATOM 1173 N GLY A 73 -9.684 8.151 -2.658 1.00 0.00 N ATOM 1174 CA GLY A 73 -8.478 8.943 -2.515 1.00 0.00 C ATOM 1175 C GLY A 73 -8.295 9.480 -1.109 1.00 0.00 C ATOM 1176 O GLY A 73 -8.744 10.582 -0.793 1.00 0.00 O ATOM 0 H GLY A 73 -9.734 7.331 -2.054 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -7.614 8.334 -2.782 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -8.510 9.776 -3.217 1.00 0.00 H new ATOM 1180 N SER A 74 -7.632 8.697 -0.263 1.00 0.00 N ATOM 1181 CA SER A 74 -7.383 9.095 1.120 1.00 0.00 C ATOM 1182 C SER A 74 -6.387 8.143 1.776 1.00 0.00 C ATOM 1183 O SER A 74 -6.371 6.951 1.479 1.00 0.00 O ATOM 1184 CB SER A 74 -8.693 9.117 1.914 1.00 0.00 C ATOM 1185 OG SER A 74 -9.805 8.835 1.081 1.00 0.00 O ATOM 0 H SER A 74 -7.257 7.782 -0.511 1.00 0.00 H new ATOM 0 HA SER A 74 -6.959 10.099 1.119 1.00 0.00 H new ATOM 0 HB2 SER A 74 -8.645 8.385 2.720 1.00 0.00 H new ATOM 0 HB3 SER A 74 -8.823 10.094 2.379 1.00 0.00 H new ATOM 0 HG SER A 74 -10.627 8.854 1.615 1.00 0.00 H new ATOM 1191 N HIS A 75 -5.554 8.674 2.664 1.00 0.00 N ATOM 1192 CA HIS A 75 -4.556 7.861 3.351 1.00 0.00 C ATOM 1193 C HIS A 75 -5.191 7.061 4.485 1.00 0.00 C ATOM 1194 O HIS A 75 -5.684 7.629 5.458 1.00 0.00 O ATOM 1195 CB HIS A 75 -3.436 8.745 3.902 1.00 0.00 C ATOM 1196 CG HIS A 75 -2.194 7.987 4.257 1.00 0.00 C ATOM 1197 ND1 HIS A 75 -1.393 8.286 5.337 1.00 0.00 N ATOM 1198 CD2 HIS A 75 -1.615 6.920 3.647 1.00 0.00 C ATOM 1199 CE1 HIS A 75 -0.376 7.413 5.350 1.00 0.00 C ATOM 1200 NE2 HIS A 75 -0.464 6.563 4.345 1.00 0.00 N ATOM 0 H HIS A 75 -5.549 9.660 2.925 1.00 0.00 H new ATOM 0 HA HIS A 75 -4.135 7.162 2.628 1.00 0.00 H new ATOM 0 HB2 HIS A 75 -3.188 9.506 3.162 1.00 0.00 H new ATOM 0 HB3 HIS A 75 -3.799 9.267 4.787 1.00 0.00 H new ATOM 0 HD1 HIS A 75 -1.547 9.039 6.008 1.00 0.00 H new ATOM 0 HD2 HIS A 75 -1.988 6.427 2.761 1.00 0.00 H new ATOM 0 HE1 HIS A 75 0.413 7.406 6.087 1.00 0.00 H new ATOM 1208 N ILE A 76 -5.171 5.738 4.351 1.00 0.00 N ATOM 1209 CA ILE A 76 -5.743 4.859 5.365 1.00 0.00 C ATOM 1210 C ILE A 76 -4.643 4.246 6.232 1.00 0.00 C ATOM 1211 O ILE A 76 -4.746 4.229 7.458 1.00 0.00 O ATOM 1212 CB ILE A 76 -6.603 3.748 4.715 1.00 0.00 C ATOM 1213 CG1 ILE A 76 -7.981 4.299 4.353 1.00 0.00 C ATOM 1214 CG2 ILE A 76 -6.749 2.541 5.635 1.00 0.00 C ATOM 1215 CD1 ILE A 76 -8.029 4.953 2.992 1.00 0.00 C ATOM 0 H ILE A 76 -4.765 5.252 3.551 1.00 0.00 H new ATOM 0 HA ILE A 76 -6.391 5.460 6.003 1.00 0.00 H new ATOM 0 HB ILE A 76 -6.094 3.418 3.810 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -8.708 3.487 4.383 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -8.283 5.025 5.107 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -7.359 1.782 5.145 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -5.764 2.129 5.854 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -7.229 2.848 6.564 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -9.037 5.321 2.801 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -7.327 5.786 2.964 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -7.758 4.224 2.228 1.00 0.00 H new ATOM 1227 N GLY A 77 -3.587 3.753 5.591 1.00 0.00 N ATOM 1228 CA GLY A 77 -2.485 3.163 6.330 1.00 0.00 C ATOM 1229 C GLY A 77 -2.100 1.788 5.817 1.00 0.00 C ATOM 1230 O GLY A 77 -2.402 1.435 4.677 1.00 0.00 O ATOM 0 H GLY A 77 -3.475 3.751 4.577 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -1.620 3.823 6.271 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -2.758 3.089 7.383 1.00 0.00 H new ATOM 1234 N GLY A 78 -1.422 1.016 6.662 1.00 0.00 N ATOM 1235 CA GLY A 78 -0.999 -0.319 6.277 1.00 0.00 C ATOM 1236 C GLY A 78 -2.007 -1.382 6.667 1.00 0.00 C ATOM 1237 O GLY A 78 -3.171 -1.312 6.278 1.00 0.00 O ATOM 0 H GLY A 78 -1.158 1.292 7.608 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -0.842 -0.350 5.199 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -0.041 -0.542 6.746 1.00 0.00 H new ATOM 1241 N PHE A 79 -1.565 -2.368 7.441 1.00 0.00 N ATOM 1242 CA PHE A 79 -2.446 -3.443 7.883 1.00 0.00 C ATOM 1243 C PHE A 79 -3.238 -3.026 9.115 1.00 0.00 C ATOM 1244 O PHE A 79 -4.452 -2.856 9.047 1.00 0.00 O ATOM 1245 CB PHE A 79 -1.649 -4.715 8.166 1.00 0.00 C ATOM 1246 CG PHE A 79 -2.453 -5.967 7.962 1.00 0.00 C ATOM 1247 CD1 PHE A 79 -3.736 -6.059 8.467 1.00 0.00 C ATOM 1248 CD2 PHE A 79 -1.929 -7.045 7.270 1.00 0.00 C ATOM 1249 CE1 PHE A 79 -4.485 -7.204 8.290 1.00 0.00 C ATOM 1250 CE2 PHE A 79 -2.674 -8.193 7.091 1.00 0.00 C ATOM 1251 CZ PHE A 79 -3.952 -8.275 7.603 1.00 0.00 C ATOM 0 H PHE A 79 -0.604 -2.445 7.775 1.00 0.00 H new ATOM 0 HA PHE A 79 -3.151 -3.650 7.078 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -0.774 -4.741 7.516 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -1.283 -4.688 9.192 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -4.158 -5.224 9.007 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -0.929 -6.987 6.867 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -5.487 -7.262 8.689 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -2.256 -9.028 6.549 1.00 0.00 H new ATOM 0 HZ PHE A 79 -4.534 -9.175 7.467 1.00 0.00 H new ATOM 1261 N ASP A 80 -2.553 -2.848 10.240 1.00 0.00 N ATOM 1262 CA ASP A 80 -3.218 -2.443 11.476 1.00 0.00 C ATOM 1263 C ASP A 80 -4.103 -1.225 11.231 1.00 0.00 C ATOM 1264 O ASP A 80 -5.269 -1.190 11.631 1.00 0.00 O ATOM 1265 CB ASP A 80 -2.183 -2.126 12.557 1.00 0.00 C ATOM 1266 CG ASP A 80 -2.785 -2.124 13.948 1.00 0.00 C ATOM 1267 OD1 ASP A 80 -2.824 -3.201 14.579 1.00 0.00 O ATOM 1268 OD2 ASP A 80 -3.218 -1.046 14.406 1.00 0.00 O ATOM 0 H ASP A 80 -1.545 -2.976 10.323 1.00 0.00 H new ATOM 0 HA ASP A 80 -3.843 -3.269 11.816 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -1.379 -2.860 12.513 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -1.737 -1.152 12.355 1.00 0.00 H new ATOM 1273 N GLN A 81 -3.535 -0.230 10.560 1.00 0.00 N ATOM 1274 CA GLN A 81 -4.259 0.995 10.248 1.00 0.00 C ATOM 1275 C GLN A 81 -5.483 0.698 9.388 1.00 0.00 C ATOM 1276 O GLN A 81 -6.580 1.181 9.668 1.00 0.00 O ATOM 1277 CB GLN A 81 -3.340 1.983 9.527 1.00 0.00 C ATOM 1278 CG GLN A 81 -2.106 2.363 10.329 1.00 0.00 C ATOM 1279 CD GLN A 81 -1.720 3.818 10.151 1.00 0.00 C ATOM 1280 OE1 GLN A 81 -2.489 4.721 10.480 1.00 0.00 O ATOM 1281 NE2 GLN A 81 -0.521 4.052 9.630 1.00 0.00 N ATOM 0 H GLN A 81 -2.573 -0.248 10.221 1.00 0.00 H new ATOM 0 HA GLN A 81 -4.596 1.440 11.184 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -3.026 1.548 8.578 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -3.904 2.886 9.293 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -2.289 2.166 11.385 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -1.272 1.730 10.027 1.00 0.00 H new ATOM 0 HE21 GLN A 81 0.084 3.272 9.372 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -0.205 5.011 9.488 1.00 0.00 H new ATOM 1290 N LEU A 82 -5.289 -0.100 8.343 1.00 0.00 N ATOM 1291 CA LEU A 82 -6.381 -0.457 7.446 1.00 0.00 C ATOM 1292 C LEU A 82 -7.423 -1.317 8.148 1.00 0.00 C ATOM 1293 O LEU A 82 -8.622 -1.102 7.981 1.00 0.00 O ATOM 1294 CB LEU A 82 -5.860 -1.164 6.212 1.00 0.00 C ATOM 1295 CG LEU A 82 -6.949 -1.505 5.208 1.00 0.00 C ATOM 1296 CD1 LEU A 82 -6.624 -0.941 3.841 1.00 0.00 C ATOM 1297 CD2 LEU A 82 -7.142 -3.000 5.160 1.00 0.00 C ATOM 0 H LEU A 82 -4.388 -0.511 8.097 1.00 0.00 H new ATOM 0 HA LEU A 82 -6.863 0.471 7.137 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -5.114 -0.533 5.728 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -5.354 -2.081 6.514 1.00 0.00 H new ATOM 0 HG LEU A 82 -7.884 -1.046 5.527 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -7.419 -1.200 3.142 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -6.537 0.144 3.906 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -5.681 -1.360 3.489 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -7.923 -3.243 4.440 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -6.210 -3.478 4.859 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -7.433 -3.361 6.146 1.00 0.00 H new ATOM 1309 N ARG A 83 -6.975 -2.273 8.955 1.00 0.00 N ATOM 1310 CA ARG A 83 -7.900 -3.129 9.689 1.00 0.00 C ATOM 1311 C ARG A 83 -8.901 -2.262 10.440 1.00 0.00 C ATOM 1312 O ARG A 83 -10.056 -2.638 10.619 1.00 0.00 O ATOM 1313 CB ARG A 83 -7.142 -4.031 10.668 1.00 0.00 C ATOM 1314 CG ARG A 83 -7.719 -5.432 10.775 1.00 0.00 C ATOM 1315 CD ARG A 83 -6.649 -6.449 11.139 1.00 0.00 C ATOM 1316 NE ARG A 83 -7.063 -7.815 10.827 1.00 0.00 N ATOM 1317 CZ ARG A 83 -6.370 -8.896 11.174 1.00 0.00 C ATOM 1318 NH1 ARG A 83 -5.230 -8.776 11.844 1.00 0.00 N ATOM 1319 NH2 ARG A 83 -6.817 -10.103 10.852 1.00 0.00 N ATOM 0 H ARG A 83 -5.988 -2.473 9.117 1.00 0.00 H new ATOM 0 HA ARG A 83 -8.430 -3.767 8.982 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -6.100 -4.099 10.354 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -7.148 -3.568 11.655 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -8.507 -5.446 11.528 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -8.180 -5.710 9.827 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -5.730 -6.217 10.601 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -6.423 -6.373 12.203 1.00 0.00 H new ATOM 0 HE ARG A 83 -7.934 -7.947 10.313 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -4.881 -7.851 12.095 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -4.703 -9.609 12.107 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -7.692 -10.202 10.338 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -6.285 -10.932 11.118 1.00 0.00 H new ATOM 1333 N GLU A 84 -8.448 -1.079 10.851 1.00 0.00 N ATOM 1334 CA GLU A 84 -9.311 -0.139 11.549 1.00 0.00 C ATOM 1335 C GLU A 84 -10.325 0.443 10.572 1.00 0.00 C ATOM 1336 O GLU A 84 -11.465 0.732 10.937 1.00 0.00 O ATOM 1337 CB GLU A 84 -8.487 0.982 12.186 1.00 0.00 C ATOM 1338 CG GLU A 84 -9.032 1.452 13.524 1.00 0.00 C ATOM 1339 CD GLU A 84 -8.912 0.397 14.606 1.00 0.00 C ATOM 1340 OE1 GLU A 84 -9.809 -0.467 14.694 1.00 0.00 O ATOM 1341 OE2 GLU A 84 -7.921 0.436 15.365 1.00 0.00 O ATOM 0 H GLU A 84 -7.492 -0.753 10.712 1.00 0.00 H new ATOM 0 HA GLU A 84 -9.837 -0.667 12.344 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -7.462 0.636 12.322 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -8.450 1.829 11.501 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -8.496 2.349 13.835 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -10.079 1.730 13.408 1.00 0.00 H new ATOM 1348 N TYR A 85 -9.902 0.592 9.316 1.00 0.00 N ATOM 1349 CA TYR A 85 -10.767 1.112 8.269 1.00 0.00 C ATOM 1350 C TYR A 85 -11.846 0.089 7.927 1.00 0.00 C ATOM 1351 O TYR A 85 -12.950 0.443 7.518 1.00 0.00 O ATOM 1352 CB TYR A 85 -9.930 1.434 7.029 1.00 0.00 C ATOM 1353 CG TYR A 85 -10.698 2.112 5.918 1.00 0.00 C ATOM 1354 CD1 TYR A 85 -11.404 1.368 4.982 1.00 0.00 C ATOM 1355 CD2 TYR A 85 -10.703 3.495 5.797 1.00 0.00 C ATOM 1356 CE1 TYR A 85 -12.097 1.983 3.958 1.00 0.00 C ATOM 1357 CE2 TYR A 85 -11.392 4.118 4.775 1.00 0.00 C ATOM 1358 CZ TYR A 85 -12.087 3.359 3.858 1.00 0.00 C ATOM 1359 OH TYR A 85 -12.774 3.976 2.838 1.00 0.00 O ATOM 0 H TYR A 85 -8.960 0.357 9.003 1.00 0.00 H new ATOM 0 HA TYR A 85 -11.251 2.023 8.620 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -9.098 2.074 7.323 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -9.500 0.509 6.645 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -11.411 0.291 5.056 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -10.159 4.093 6.513 1.00 0.00 H new ATOM 0 HE1 TYR A 85 -12.644 1.390 3.240 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -11.386 5.195 4.695 1.00 0.00 H new ATOM 0 HH TYR A 85 -12.666 4.947 2.912 1.00 0.00 H new ATOM 1369 N PHE A 86 -11.508 -1.187 8.109 1.00 0.00 N ATOM 1370 CA PHE A 86 -12.428 -2.286 7.831 1.00 0.00 C ATOM 1371 C PHE A 86 -13.087 -2.802 9.107 1.00 0.00 C ATOM 1372 O PHE A 86 -14.281 -2.594 9.327 1.00 0.00 O ATOM 1373 CB PHE A 86 -11.674 -3.422 7.136 1.00 0.00 C ATOM 1374 CG PHE A 86 -11.546 -3.226 5.652 1.00 0.00 C ATOM 1375 CD1 PHE A 86 -12.642 -3.407 4.825 1.00 0.00 C ATOM 1376 CD2 PHE A 86 -10.338 -2.857 5.087 1.00 0.00 C ATOM 1377 CE1 PHE A 86 -12.536 -3.223 3.461 1.00 0.00 C ATOM 1378 CE2 PHE A 86 -10.224 -2.672 3.721 1.00 0.00 C ATOM 1379 CZ PHE A 86 -11.325 -2.855 2.908 1.00 0.00 C ATOM 0 H PHE A 86 -10.595 -1.485 8.451 1.00 0.00 H new ATOM 0 HA PHE A 86 -13.216 -1.912 7.178 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -10.679 -3.509 7.572 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -12.189 -4.363 7.329 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -13.591 -3.696 5.252 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -9.475 -2.712 5.720 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -13.399 -3.367 2.827 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -9.276 -2.385 3.291 1.00 0.00 H new ATOM 0 HZ PHE A 86 -11.239 -2.711 1.841 1.00 0.00 H new ATOM 1389 N LYS A 87 -12.302 -3.475 9.945 1.00 0.00 N ATOM 1390 CA LYS A 87 -12.800 -4.026 11.205 1.00 0.00 C ATOM 1391 C LYS A 87 -14.138 -4.735 11.013 1.00 0.00 C ATOM 1392 O LYS A 87 -14.448 -5.110 9.862 1.00 0.00 O ATOM 1393 CB LYS A 87 -12.936 -2.920 12.256 1.00 0.00 C ATOM 1394 CG LYS A 87 -14.023 -1.904 11.945 1.00 0.00 C ATOM 1395 CD LYS A 87 -14.506 -1.203 13.203 1.00 0.00 C ATOM 1396 CE LYS A 87 -15.731 -0.346 12.929 1.00 0.00 C ATOM 1397 NZ LYS A 87 -16.940 -1.172 12.663 1.00 0.00 N ATOM 1398 OXT LYS A 87 -14.864 -4.909 12.013 1.00 0.00 O ATOM 0 H LYS A 87 -11.312 -3.653 9.773 1.00 0.00 H new ATOM 0 HA LYS A 87 -12.075 -4.762 11.554 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -13.145 -3.376 13.224 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -11.982 -2.400 12.348 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -13.641 -1.166 11.240 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -14.862 -2.404 11.461 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -14.743 -1.945 13.966 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -13.706 -0.579 13.603 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -15.917 0.305 13.784 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -15.538 0.300 12.073 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -17.784 -0.564 12.666 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -16.848 -1.633 11.735 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -17.034 -1.898 13.402 1.00 0.00 H new