USER MOD reduce.3.24.130724 H: found=0, std=0, add=694, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 694 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 59 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 63 ASN : amide:sc= 0.506 K(o=0.51,f=0) USER MOD Set 2.1: A 38 TYR OH : rot -97:sc= 0.666 USER MOD Set 2.2: A 42 ASN :FLIP amide:sc= 0.768 F(o=2.4!,f=5.3) USER MOD Set 2.3: A 81 THR OG1 : rot 121:sc= 1.95 USER MOD Set 2.4: A 83 SER OG : rot 84:sc= 1.92 USER MOD Set 3.1: A 37 THR OG1 : rot 69:sc= 1.11 USER MOD Set 3.2: A 57 ASN : amide:sc= 0.094 K(o=1.2,f=-0.65!) USER MOD Set 4.1: A 13 MET CE :methyl -118:sc= -0.0119 (180deg=-1.48!) USER MOD Set 4.2: A 41 LYS NZ :NH3+ -160:sc= 0.161 (180deg=0.152) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.074) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ -156:sc= 0.456 (180deg=0.205) USER MOD Single : A 8 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.000368) USER MOD Single : A 10 ASN : amide:sc= -0.132 K(o=-0.13,f=-6!) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 CYS SG : rot 180:sc= -3.37! USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 20 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 23 GLN : amide:sc= -0.061 X(o=-0.061,f=-0.32) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot -76:sc= 1.17 USER MOD Single : A 32 LYS NZ :NH3+ 161:sc= 0.883 (180deg=0.626) USER MOD Single : A 33 ASN : amide:sc= -0.149 K(o=-0.15,f=-2.7!) USER MOD Single : A 40 GLN :FLIP amide:sc= -0.831 F(o=-2.9!,f=-0.83) USER MOD Single : A 50 HIS : no HD1:sc= -0.0374 X(o=-0.037,f=-0.0032) USER MOD Single : A 52 LYS NZ :NH3+ 157:sc= 1.04 (180deg=0.678) USER MOD Single : A 54 THR OG1 : rot -20:sc= 0.146 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 66 CYS SG : rot -134:sc= -4.19! USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 68 GLN :FLIP amide:sc= -0.0796 F(o=-0.87,f=-0.08) USER MOD Single : A 73 TYR OH : rot -178:sc= 0.662 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 CYS SG : rot 75:sc= 0.518 USER MOD Single : A 79 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 82 LYS NZ :NH3+ -169:sc= 0.414 (180deg=0.348) USER MOD Single : A 86 ASN : amide:sc= -0.495 X(o=-0.5,f=0) USER MOD Single : A 87 GLN : amide:sc= -0.0439 X(o=-0.044,f=-0.44) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 6.437 5.971 -2.737 1.00 0.00 N ATOM 2 CA MET A 1 7.885 5.881 -3.033 1.00 0.00 C ATOM 3 C MET A 1 8.272 4.414 -3.289 1.00 0.00 C ATOM 4 O MET A 1 8.153 3.576 -2.385 1.00 0.00 O ATOM 5 CB MET A 1 8.703 6.482 -1.856 1.00 0.00 C ATOM 6 CG MET A 1 10.231 6.380 -1.993 1.00 0.00 C ATOM 7 SD MET A 1 11.096 7.240 -0.659 1.00 0.00 S ATOM 8 CE MET A 1 12.806 6.887 -1.045 1.00 0.00 C ATOM 0 H1 MET A 1 6.179 6.964 -2.565 1.00 0.00 H new ATOM 0 H2 MET A 1 5.894 5.608 -3.546 1.00 0.00 H new ATOM 0 H3 MET A 1 6.220 5.405 -1.892 1.00 0.00 H new ATOM 0 HA MET A 1 8.112 6.456 -3.931 1.00 0.00 H new ATOM 0 HB2 MET A 1 8.434 7.533 -1.749 1.00 0.00 H new ATOM 0 HB3 MET A 1 8.404 5.981 -0.935 1.00 0.00 H new ATOM 0 HG2 MET A 1 10.524 5.330 -1.996 1.00 0.00 H new ATOM 0 HG3 MET A 1 10.537 6.799 -2.951 1.00 0.00 H new ATOM 0 HE1 MET A 1 13.451 7.357 -0.303 1.00 0.00 H new ATOM 0 HE2 MET A 1 12.966 5.809 -1.035 1.00 0.00 H new ATOM 0 HE3 MET A 1 13.044 7.280 -2.033 1.00 0.00 H new ATOM 20 N LYS A 2 8.714 4.110 -4.525 1.00 0.00 N ATOM 21 CA LYS A 2 9.202 2.780 -4.892 1.00 0.00 C ATOM 22 C LYS A 2 10.692 2.696 -4.572 1.00 0.00 C ATOM 23 O LYS A 2 11.536 3.036 -5.403 1.00 0.00 O ATOM 24 CB LYS A 2 8.947 2.455 -6.398 1.00 0.00 C ATOM 25 CG LYS A 2 7.462 2.321 -6.783 1.00 0.00 C ATOM 26 CD LYS A 2 7.257 1.817 -8.233 1.00 0.00 C ATOM 27 CE LYS A 2 5.772 1.572 -8.553 1.00 0.00 C ATOM 28 NZ LYS A 2 4.953 2.804 -8.382 1.00 0.00 N ATOM 0 H LYS A 2 8.740 4.783 -5.291 1.00 0.00 H new ATOM 0 HA LYS A 2 8.651 2.038 -4.313 1.00 0.00 H new ATOM 0 HB2 LYS A 2 9.397 3.239 -7.007 1.00 0.00 H new ATOM 0 HB3 LYS A 2 9.459 1.525 -6.647 1.00 0.00 H new ATOM 0 HG2 LYS A 2 6.974 1.633 -6.093 1.00 0.00 H new ATOM 0 HG3 LYS A 2 6.974 3.289 -6.668 1.00 0.00 H new ATOM 0 HD2 LYS A 2 7.663 2.548 -8.932 1.00 0.00 H new ATOM 0 HD3 LYS A 2 7.817 0.893 -8.378 1.00 0.00 H new ATOM 0 HE2 LYS A 2 5.677 1.213 -9.578 1.00 0.00 H new ATOM 0 HE3 LYS A 2 5.386 0.787 -7.903 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 3.985 2.627 -8.720 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 4.926 3.066 -7.376 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 5.375 3.580 -8.931 1.00 0.00 H new ATOM 42 N ASP A 3 11.008 2.307 -3.333 1.00 0.00 N ATOM 43 CA ASP A 3 12.393 2.020 -2.926 1.00 0.00 C ATOM 44 C ASP A 3 12.859 0.676 -3.534 1.00 0.00 C ATOM 45 O ASP A 3 14.056 0.383 -3.590 1.00 0.00 O ATOM 46 CB ASP A 3 12.513 1.988 -1.383 1.00 0.00 C ATOM 47 CG ASP A 3 11.708 0.848 -0.728 1.00 0.00 C ATOM 48 OD1 ASP A 3 10.477 0.994 -0.569 1.00 0.00 O ATOM 49 OD2 ASP A 3 12.300 -0.194 -0.378 1.00 0.00 O ATOM 0 H ASP A 3 10.322 2.182 -2.589 1.00 0.00 H new ATOM 0 HA ASP A 3 13.037 2.815 -3.301 1.00 0.00 H new ATOM 0 HB2 ASP A 3 13.563 1.884 -1.110 1.00 0.00 H new ATOM 0 HB3 ASP A 3 12.172 2.941 -0.980 1.00 0.00 H new ATOM 54 N SER A 4 11.872 -0.133 -3.967 1.00 0.00 N ATOM 55 CA SER A 4 12.086 -1.398 -4.689 1.00 0.00 C ATOM 56 C SER A 4 11.971 -1.161 -6.217 1.00 0.00 C ATOM 57 O SER A 4 11.609 -2.060 -6.969 1.00 0.00 O ATOM 58 CB SER A 4 11.032 -2.428 -4.196 1.00 0.00 C ATOM 59 OG SER A 4 11.049 -2.548 -2.773 1.00 0.00 O ATOM 0 H SER A 4 10.885 0.081 -3.821 1.00 0.00 H new ATOM 0 HA SER A 4 13.085 -1.787 -4.491 1.00 0.00 H new ATOM 0 HB2 SER A 4 10.039 -2.121 -4.525 1.00 0.00 H new ATOM 0 HB3 SER A 4 11.231 -3.400 -4.647 1.00 0.00 H new ATOM 0 HG SER A 4 10.375 -3.201 -2.492 1.00 0.00 H new ATOM 65 N ASP A 5 12.328 0.060 -6.655 1.00 0.00 N ATOM 66 CA ASP A 5 12.193 0.518 -8.060 1.00 0.00 C ATOM 67 C ASP A 5 13.001 -0.339 -9.054 1.00 0.00 C ATOM 68 O ASP A 5 12.539 -0.596 -10.157 1.00 0.00 O ATOM 69 CB ASP A 5 12.650 1.997 -8.180 1.00 0.00 C ATOM 70 CG ASP A 5 14.138 2.197 -7.801 1.00 0.00 C ATOM 71 OD1 ASP A 5 14.494 1.977 -6.616 1.00 0.00 O ATOM 72 OD2 ASP A 5 14.957 2.542 -8.673 1.00 0.00 O ATOM 0 H ASP A 5 12.724 0.770 -6.039 1.00 0.00 H new ATOM 0 HA ASP A 5 11.139 0.416 -8.320 1.00 0.00 H new ATOM 0 HB2 ASP A 5 12.491 2.340 -9.202 1.00 0.00 H new ATOM 0 HB3 ASP A 5 12.029 2.618 -7.535 1.00 0.00 H new ATOM 77 N LYS A 6 14.200 -0.770 -8.646 1.00 0.00 N ATOM 78 CA LYS A 6 15.151 -1.447 -9.551 1.00 0.00 C ATOM 79 C LYS A 6 14.653 -2.859 -9.917 1.00 0.00 C ATOM 80 O LYS A 6 14.730 -3.272 -11.086 1.00 0.00 O ATOM 81 CB LYS A 6 16.560 -1.489 -8.901 1.00 0.00 C ATOM 82 CG LYS A 6 17.728 -2.011 -9.801 1.00 0.00 C ATOM 83 CD LYS A 6 18.002 -1.133 -11.069 1.00 0.00 C ATOM 84 CE LYS A 6 17.225 -1.599 -12.322 1.00 0.00 C ATOM 85 NZ LYS A 6 17.341 -0.651 -13.446 1.00 0.00 N ATOM 0 H LYS A 6 14.541 -0.664 -7.691 1.00 0.00 H new ATOM 0 HA LYS A 6 15.220 -0.880 -10.479 1.00 0.00 H new ATOM 0 HB2 LYS A 6 16.811 -0.483 -8.566 1.00 0.00 H new ATOM 0 HB3 LYS A 6 16.507 -2.117 -8.012 1.00 0.00 H new ATOM 0 HG2 LYS A 6 18.638 -2.061 -9.203 1.00 0.00 H new ATOM 0 HG3 LYS A 6 17.500 -3.028 -10.119 1.00 0.00 H new ATOM 0 HD2 LYS A 6 17.735 -0.099 -10.850 1.00 0.00 H new ATOM 0 HD3 LYS A 6 19.070 -1.147 -11.287 1.00 0.00 H new ATOM 0 HE2 LYS A 6 17.598 -2.575 -12.634 1.00 0.00 H new ATOM 0 HE3 LYS A 6 16.173 -1.727 -12.066 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 16.527 -0.767 -14.083 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 17.358 0.322 -13.079 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 18.220 -0.839 -13.969 1.00 0.00 H new ATOM 99 N GLU A 7 14.119 -3.577 -8.918 1.00 0.00 N ATOM 100 CA GLU A 7 13.571 -4.936 -9.112 1.00 0.00 C ATOM 101 C GLU A 7 12.171 -4.880 -9.761 1.00 0.00 C ATOM 102 O GLU A 7 11.756 -5.821 -10.451 1.00 0.00 O ATOM 103 CB GLU A 7 13.514 -5.688 -7.748 1.00 0.00 C ATOM 104 CG GLU A 7 12.521 -5.100 -6.724 1.00 0.00 C ATOM 105 CD GLU A 7 12.595 -5.758 -5.338 1.00 0.00 C ATOM 106 OE1 GLU A 7 11.893 -6.769 -5.097 1.00 0.00 O ATOM 107 OE2 GLU A 7 13.364 -5.271 -4.480 1.00 0.00 O ATOM 0 H GLU A 7 14.053 -3.239 -7.958 1.00 0.00 H new ATOM 0 HA GLU A 7 14.231 -5.481 -9.787 1.00 0.00 H new ATOM 0 HB2 GLU A 7 13.248 -6.729 -7.934 1.00 0.00 H new ATOM 0 HB3 GLU A 7 14.511 -5.688 -7.307 1.00 0.00 H new ATOM 0 HG2 GLU A 7 12.712 -4.032 -6.619 1.00 0.00 H new ATOM 0 HG3 GLU A 7 11.508 -5.206 -7.112 1.00 0.00 H new ATOM 114 N LYS A 8 11.462 -3.752 -9.551 1.00 0.00 N ATOM 115 CA LYS A 8 10.030 -3.619 -9.871 1.00 0.00 C ATOM 116 C LYS A 8 9.791 -2.332 -10.699 1.00 0.00 C ATOM 117 O LYS A 8 8.843 -1.573 -10.448 1.00 0.00 O ATOM 118 CB LYS A 8 9.227 -3.617 -8.530 1.00 0.00 C ATOM 119 CG LYS A 8 7.718 -3.925 -8.656 1.00 0.00 C ATOM 120 CD LYS A 8 6.962 -3.822 -7.306 1.00 0.00 C ATOM 121 CE LYS A 8 7.577 -4.693 -6.189 1.00 0.00 C ATOM 122 NZ LYS A 8 7.621 -6.137 -6.545 1.00 0.00 N ATOM 0 H LYS A 8 11.870 -2.906 -9.153 1.00 0.00 H new ATOM 0 HA LYS A 8 9.687 -4.455 -10.480 1.00 0.00 H new ATOM 0 HB2 LYS A 8 9.674 -4.350 -7.858 1.00 0.00 H new ATOM 0 HB3 LYS A 8 9.342 -2.641 -8.059 1.00 0.00 H new ATOM 0 HG2 LYS A 8 7.270 -3.234 -9.370 1.00 0.00 H new ATOM 0 HG3 LYS A 8 7.591 -4.929 -9.061 1.00 0.00 H new ATOM 0 HD2 LYS A 8 6.954 -2.781 -6.982 1.00 0.00 H new ATOM 0 HD3 LYS A 8 5.924 -4.117 -7.456 1.00 0.00 H new ATOM 0 HE2 LYS A 8 8.588 -4.344 -5.977 1.00 0.00 H new ATOM 0 HE3 LYS A 8 6.998 -4.566 -5.274 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 8.027 -6.677 -5.754 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 6.657 -6.477 -6.738 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 8.210 -6.268 -7.392 1.00 0.00 H new ATOM 136 N GLU A 9 10.653 -2.103 -11.713 1.00 0.00 N ATOM 137 CA GLU A 9 10.548 -0.917 -12.587 1.00 0.00 C ATOM 138 C GLU A 9 9.419 -1.087 -13.614 1.00 0.00 C ATOM 139 O GLU A 9 9.199 -2.183 -14.152 1.00 0.00 O ATOM 140 CB GLU A 9 11.899 -0.592 -13.296 1.00 0.00 C ATOM 141 CG GLU A 9 12.404 -1.648 -14.296 1.00 0.00 C ATOM 142 CD GLU A 9 13.638 -1.185 -15.096 1.00 0.00 C ATOM 143 OE1 GLU A 9 13.466 -0.419 -16.077 1.00 0.00 O ATOM 144 OE2 GLU A 9 14.781 -1.567 -14.745 1.00 0.00 O ATOM 0 H GLU A 9 11.428 -2.724 -11.946 1.00 0.00 H new ATOM 0 HA GLU A 9 10.305 -0.068 -11.948 1.00 0.00 H new ATOM 0 HB2 GLU A 9 11.792 0.357 -13.822 1.00 0.00 H new ATOM 0 HB3 GLU A 9 12.663 -0.449 -12.532 1.00 0.00 H new ATOM 0 HG2 GLU A 9 12.651 -2.562 -13.756 1.00 0.00 H new ATOM 0 HG3 GLU A 9 11.601 -1.895 -14.990 1.00 0.00 H new ATOM 151 N ASN A 10 8.703 0.016 -13.850 1.00 0.00 N ATOM 152 CA ASN A 10 7.641 0.123 -14.862 1.00 0.00 C ATOM 153 C ASN A 10 8.047 1.265 -15.814 1.00 0.00 C ATOM 154 O ASN A 10 8.651 2.255 -15.380 1.00 0.00 O ATOM 155 CB ASN A 10 6.268 0.399 -14.174 1.00 0.00 C ATOM 156 CG ASN A 10 5.040 0.222 -15.091 1.00 0.00 C ATOM 157 OD1 ASN A 10 5.111 0.383 -16.311 1.00 0.00 O ATOM 158 ND2 ASN A 10 3.890 -0.088 -14.500 1.00 0.00 N ATOM 0 H ASN A 10 8.847 0.882 -13.331 1.00 0.00 H new ATOM 0 HA ASN A 10 7.525 -0.804 -15.423 1.00 0.00 H new ATOM 0 HB2 ASN A 10 6.165 -0.269 -13.319 1.00 0.00 H new ATOM 0 HB3 ASN A 10 6.270 1.417 -13.785 1.00 0.00 H new ATOM 0 HD21 ASN A 10 3.043 -0.197 -15.058 1.00 0.00 H new ATOM 0 HD22 ASN A 10 3.855 -0.217 -13.489 1.00 0.00 H new ATOM 165 N GLY A 11 7.720 1.124 -17.101 1.00 0.00 N ATOM 166 CA GLY A 11 8.232 2.020 -18.150 1.00 0.00 C ATOM 167 C GLY A 11 9.350 1.364 -18.955 1.00 0.00 C ATOM 168 O GLY A 11 9.930 1.990 -19.853 1.00 0.00 O ATOM 0 H GLY A 11 7.098 0.393 -17.447 1.00 0.00 H new ATOM 0 HA2 GLY A 11 7.418 2.300 -18.819 1.00 0.00 H new ATOM 0 HA3 GLY A 11 8.602 2.939 -17.695 1.00 0.00 H new ATOM 172 N LYS A 12 9.664 0.097 -18.614 1.00 0.00 N ATOM 173 CA LYS A 12 10.638 -0.710 -19.361 1.00 0.00 C ATOM 174 C LYS A 12 9.979 -1.245 -20.649 1.00 0.00 C ATOM 175 O LYS A 12 8.934 -1.914 -20.605 1.00 0.00 O ATOM 176 CB LYS A 12 11.216 -1.857 -18.479 1.00 0.00 C ATOM 177 CG LYS A 12 10.165 -2.811 -17.871 1.00 0.00 C ATOM 178 CD LYS A 12 10.798 -3.939 -17.025 1.00 0.00 C ATOM 179 CE LYS A 12 9.747 -4.893 -16.443 1.00 0.00 C ATOM 180 NZ LYS A 12 10.370 -5.988 -15.655 1.00 0.00 N ATOM 0 H LYS A 12 9.250 -0.388 -17.818 1.00 0.00 H new ATOM 0 HA LYS A 12 11.484 -0.083 -19.643 1.00 0.00 H new ATOM 0 HB2 LYS A 12 11.910 -2.443 -19.082 1.00 0.00 H new ATOM 0 HB3 LYS A 12 11.794 -1.414 -17.668 1.00 0.00 H new ATOM 0 HG2 LYS A 12 9.478 -2.238 -17.248 1.00 0.00 H new ATOM 0 HG3 LYS A 12 9.575 -3.253 -18.674 1.00 0.00 H new ATOM 0 HD2 LYS A 12 11.496 -4.505 -17.642 1.00 0.00 H new ATOM 0 HD3 LYS A 12 11.376 -3.499 -16.212 1.00 0.00 H new ATOM 0 HE2 LYS A 12 9.061 -4.333 -15.808 1.00 0.00 H new ATOM 0 HE3 LYS A 12 9.155 -5.320 -17.253 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 9.627 -6.611 -15.279 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 11.006 -6.538 -16.267 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 10.914 -5.582 -14.867 1.00 0.00 H new ATOM 194 N MET A 13 10.583 -0.903 -21.791 1.00 0.00 N ATOM 195 CA MET A 13 10.047 -1.210 -23.124 1.00 0.00 C ATOM 196 C MET A 13 11.140 -1.883 -23.971 1.00 0.00 C ATOM 197 O MET A 13 12.292 -1.960 -23.545 1.00 0.00 O ATOM 198 CB MET A 13 9.551 0.105 -23.801 1.00 0.00 C ATOM 199 CG MET A 13 10.666 1.001 -24.369 1.00 0.00 C ATOM 200 SD MET A 13 11.958 1.398 -23.168 1.00 0.00 S ATOM 201 CE MET A 13 13.274 1.945 -24.254 1.00 0.00 C ATOM 0 H MET A 13 11.469 -0.399 -21.818 1.00 0.00 H new ATOM 0 HA MET A 13 9.203 -1.894 -23.038 1.00 0.00 H new ATOM 0 HB2 MET A 13 8.867 -0.155 -24.609 1.00 0.00 H new ATOM 0 HB3 MET A 13 8.980 0.679 -23.072 1.00 0.00 H new ATOM 0 HG2 MET A 13 11.119 0.503 -25.226 1.00 0.00 H new ATOM 0 HG3 MET A 13 10.225 1.928 -24.735 1.00 0.00 H new ATOM 0 HE1 MET A 13 14.134 1.285 -24.144 1.00 0.00 H new ATOM 0 HE2 MET A 13 12.927 1.921 -25.287 1.00 0.00 H new ATOM 0 HE3 MET A 13 13.562 2.963 -23.992 1.00 0.00 H new ATOM 211 N GLY A 14 10.759 -2.352 -25.168 1.00 0.00 N ATOM 212 CA GLY A 14 11.711 -2.887 -26.143 1.00 0.00 C ATOM 213 C GLY A 14 12.109 -4.341 -25.911 1.00 0.00 C ATOM 214 O GLY A 14 13.184 -4.769 -26.331 1.00 0.00 O ATOM 0 H GLY A 14 9.789 -2.370 -25.483 1.00 0.00 H new ATOM 0 HA2 GLY A 14 11.279 -2.797 -27.140 1.00 0.00 H new ATOM 0 HA3 GLY A 14 12.610 -2.271 -26.128 1.00 0.00 H new ATOM 218 N CYS A 15 11.246 -5.104 -25.241 1.00 0.00 N ATOM 219 CA CYS A 15 11.441 -6.554 -25.052 1.00 0.00 C ATOM 220 C CYS A 15 11.004 -7.296 -26.335 1.00 0.00 C ATOM 221 O CYS A 15 9.845 -7.715 -26.461 1.00 0.00 O ATOM 222 CB CYS A 15 10.651 -7.031 -23.811 1.00 0.00 C ATOM 223 SG CYS A 15 10.745 -8.809 -23.490 1.00 0.00 S ATOM 0 H CYS A 15 10.393 -4.743 -24.813 1.00 0.00 H new ATOM 0 HA CYS A 15 12.494 -6.775 -24.875 1.00 0.00 H new ATOM 0 HB2 CYS A 15 11.021 -6.498 -22.935 1.00 0.00 H new ATOM 0 HB3 CYS A 15 9.604 -6.753 -23.935 1.00 0.00 H new ATOM 0 HG CYS A 15 10.050 -9.096 -22.429 1.00 0.00 H new ATOM 229 N TRP A 16 11.931 -7.384 -27.316 1.00 0.00 N ATOM 230 CA TRP A 16 11.664 -8.004 -28.635 1.00 0.00 C ATOM 231 C TRP A 16 12.110 -9.481 -28.636 1.00 0.00 C ATOM 232 O TRP A 16 12.569 -10.014 -27.616 1.00 0.00 O ATOM 233 CB TRP A 16 12.412 -7.228 -29.765 1.00 0.00 C ATOM 234 CG TRP A 16 12.251 -5.722 -29.706 1.00 0.00 C ATOM 235 CD1 TRP A 16 11.106 -5.004 -29.915 1.00 0.00 C ATOM 236 CD2 TRP A 16 13.273 -4.756 -29.423 1.00 0.00 C ATOM 237 NE1 TRP A 16 11.351 -3.668 -29.765 1.00 0.00 N ATOM 238 CE2 TRP A 16 12.673 -3.486 -29.464 1.00 0.00 C ATOM 239 CE3 TRP A 16 14.632 -4.843 -29.139 1.00 0.00 C ATOM 240 CZ2 TRP A 16 13.386 -2.309 -29.228 1.00 0.00 C ATOM 241 CZ3 TRP A 16 15.339 -3.683 -28.897 1.00 0.00 C ATOM 242 CH2 TRP A 16 14.716 -2.427 -28.945 1.00 0.00 C ATOM 0 H TRP A 16 12.882 -7.029 -27.217 1.00 0.00 H new ATOM 0 HA TRP A 16 10.591 -7.957 -28.823 1.00 0.00 H new ATOM 0 HB2 TRP A 16 13.474 -7.470 -29.713 1.00 0.00 H new ATOM 0 HB3 TRP A 16 12.052 -7.582 -30.731 1.00 0.00 H new ATOM 0 HD1 TRP A 16 10.146 -5.432 -30.163 1.00 0.00 H new ATOM 0 HE1 TRP A 16 10.659 -2.925 -29.862 1.00 0.00 H new ATOM 0 HE3 TRP A 16 15.126 -5.803 -29.108 1.00 0.00 H new ATOM 0 HZ2 TRP A 16 12.904 -1.343 -29.268 1.00 0.00 H new ATOM 0 HZ3 TRP A 16 16.392 -3.743 -28.666 1.00 0.00 H new ATOM 0 HH2 TRP A 16 15.299 -1.538 -28.755 1.00 0.00 H new ATOM 253 N SER A 17 11.930 -10.141 -29.788 1.00 0.00 N ATOM 254 CA SER A 17 12.556 -11.441 -30.079 1.00 0.00 C ATOM 255 C SER A 17 13.898 -11.202 -30.789 1.00 0.00 C ATOM 256 O SER A 17 14.120 -10.120 -31.356 1.00 0.00 O ATOM 257 CB SER A 17 11.622 -12.289 -30.970 1.00 0.00 C ATOM 258 OG SER A 17 10.361 -12.481 -30.353 1.00 0.00 O ATOM 0 H SER A 17 11.346 -9.789 -30.546 1.00 0.00 H new ATOM 0 HA SER A 17 12.729 -11.982 -29.149 1.00 0.00 H new ATOM 0 HB2 SER A 17 11.487 -11.796 -31.933 1.00 0.00 H new ATOM 0 HB3 SER A 17 12.084 -13.256 -31.169 1.00 0.00 H new ATOM 0 HG SER A 17 9.789 -13.019 -30.939 1.00 0.00 H new ATOM 264 N ILE A 18 14.776 -12.222 -30.765 1.00 0.00 N ATOM 265 CA ILE A 18 16.063 -12.193 -31.494 1.00 0.00 C ATOM 266 C ILE A 18 15.805 -11.963 -32.999 1.00 0.00 C ATOM 267 O ILE A 18 16.467 -11.140 -33.636 1.00 0.00 O ATOM 268 CB ILE A 18 16.868 -13.537 -31.303 1.00 0.00 C ATOM 269 CG1 ILE A 18 17.108 -13.853 -29.788 1.00 0.00 C ATOM 270 CG2 ILE A 18 18.198 -13.534 -32.107 1.00 0.00 C ATOM 271 CD1 ILE A 18 17.808 -12.769 -28.998 1.00 0.00 C ATOM 0 H ILE A 18 14.617 -13.085 -30.244 1.00 0.00 H new ATOM 0 HA ILE A 18 16.659 -11.376 -31.086 1.00 0.00 H new ATOM 0 HB ILE A 18 16.253 -14.340 -31.709 1.00 0.00 H new ATOM 0 HG12 ILE A 18 16.144 -14.054 -29.320 1.00 0.00 H new ATOM 0 HG13 ILE A 18 17.695 -14.768 -29.715 1.00 0.00 H new ATOM 0 HG21 ILE A 18 18.721 -14.477 -31.948 1.00 0.00 H new ATOM 0 HG22 ILE A 18 17.981 -13.414 -33.168 1.00 0.00 H new ATOM 0 HG23 ILE A 18 18.826 -12.709 -31.769 1.00 0.00 H new ATOM 0 HD11 ILE A 18 17.924 -13.090 -27.963 1.00 0.00 H new ATOM 0 HD12 ILE A 18 18.790 -12.580 -29.431 1.00 0.00 H new ATOM 0 HD13 ILE A 18 17.215 -11.855 -29.030 1.00 0.00 H new ATOM 283 N GLU A 19 14.793 -12.680 -33.524 1.00 0.00 N ATOM 284 CA GLU A 19 14.398 -12.613 -34.937 1.00 0.00 C ATOM 285 C GLU A 19 13.786 -11.252 -35.303 1.00 0.00 C ATOM 286 O GLU A 19 14.017 -10.764 -36.403 1.00 0.00 O ATOM 287 CB GLU A 19 13.433 -13.760 -35.293 1.00 0.00 C ATOM 288 CG GLU A 19 14.086 -15.145 -35.270 1.00 0.00 C ATOM 289 CD GLU A 19 13.136 -16.263 -35.739 1.00 0.00 C ATOM 290 OE1 GLU A 19 12.301 -16.731 -34.937 1.00 0.00 O ATOM 291 OE2 GLU A 19 13.213 -16.674 -36.919 1.00 0.00 O ATOM 0 H GLU A 19 14.226 -13.325 -32.973 1.00 0.00 H new ATOM 0 HA GLU A 19 15.306 -12.728 -35.529 1.00 0.00 H new ATOM 0 HB2 GLU A 19 12.598 -13.750 -34.593 1.00 0.00 H new ATOM 0 HB3 GLU A 19 13.019 -13.580 -36.285 1.00 0.00 H new ATOM 0 HG2 GLU A 19 14.970 -15.135 -35.908 1.00 0.00 H new ATOM 0 HG3 GLU A 19 14.426 -15.364 -34.258 1.00 0.00 H new ATOM 298 N HIS A 20 13.004 -10.643 -34.388 1.00 0.00 N ATOM 299 CA HIS A 20 12.406 -9.309 -34.642 1.00 0.00 C ATOM 300 C HIS A 20 13.523 -8.269 -34.814 1.00 0.00 C ATOM 301 O HIS A 20 13.481 -7.436 -35.724 1.00 0.00 O ATOM 302 CB HIS A 20 11.438 -8.882 -33.508 1.00 0.00 C ATOM 303 CG HIS A 20 10.743 -7.571 -33.795 1.00 0.00 C ATOM 304 ND1 HIS A 20 9.632 -7.470 -34.613 1.00 0.00 N ATOM 305 CD2 HIS A 20 11.029 -6.299 -33.411 1.00 0.00 C ATOM 306 CE1 HIS A 20 9.282 -6.203 -34.723 1.00 0.00 C ATOM 307 NE2 HIS A 20 10.112 -5.474 -34.006 1.00 0.00 N ATOM 0 H HIS A 20 12.772 -11.043 -33.479 1.00 0.00 H new ATOM 0 HA HIS A 20 11.819 -9.371 -35.558 1.00 0.00 H new ATOM 0 HB2 HIS A 20 10.689 -9.661 -33.363 1.00 0.00 H new ATOM 0 HB3 HIS A 20 11.994 -8.797 -32.574 1.00 0.00 H new ATOM 0 HD2 HIS A 20 11.832 -5.995 -32.756 1.00 0.00 H new ATOM 0 HE1 HIS A 20 8.453 -5.826 -35.304 1.00 0.00 H new ATOM 0 HE2 HIS A 20 10.077 -4.459 -33.909 1.00 0.00 H new ATOM 316 N VAL A 21 14.531 -8.368 -33.940 1.00 0.00 N ATOM 317 CA VAL A 21 15.731 -7.532 -33.992 1.00 0.00 C ATOM 318 C VAL A 21 16.451 -7.703 -35.344 1.00 0.00 C ATOM 319 O VAL A 21 16.470 -6.770 -36.136 1.00 0.00 O ATOM 320 CB VAL A 21 16.678 -7.867 -32.778 1.00 0.00 C ATOM 321 CG1 VAL A 21 18.093 -7.263 -32.946 1.00 0.00 C ATOM 322 CG2 VAL A 21 16.028 -7.390 -31.458 1.00 0.00 C ATOM 0 H VAL A 21 14.535 -9.037 -33.170 1.00 0.00 H new ATOM 0 HA VAL A 21 15.441 -6.485 -33.909 1.00 0.00 H new ATOM 0 HB VAL A 21 16.805 -8.949 -32.748 1.00 0.00 H new ATOM 0 HG11 VAL A 21 18.705 -7.524 -32.082 1.00 0.00 H new ATOM 0 HG12 VAL A 21 18.553 -7.661 -33.850 1.00 0.00 H new ATOM 0 HG13 VAL A 21 18.019 -6.178 -33.024 1.00 0.00 H new ATOM 0 HG21 VAL A 21 16.687 -7.624 -30.622 1.00 0.00 H new ATOM 0 HG22 VAL A 21 15.865 -6.313 -31.501 1.00 0.00 H new ATOM 0 HG23 VAL A 21 15.073 -7.896 -31.319 1.00 0.00 H new ATOM 332 N GLU A 22 16.935 -8.926 -35.631 1.00 0.00 N ATOM 333 CA GLU A 22 17.830 -9.188 -36.779 1.00 0.00 C ATOM 334 C GLU A 22 17.156 -8.903 -38.131 1.00 0.00 C ATOM 335 O GLU A 22 17.768 -8.295 -39.016 1.00 0.00 O ATOM 336 CB GLU A 22 18.375 -10.643 -36.739 1.00 0.00 C ATOM 337 CG GLU A 22 17.318 -11.760 -36.802 1.00 0.00 C ATOM 338 CD GLU A 22 17.916 -13.171 -36.798 1.00 0.00 C ATOM 339 OE1 GLU A 22 18.413 -13.618 -35.740 1.00 0.00 O ATOM 340 OE2 GLU A 22 17.899 -13.836 -37.851 1.00 0.00 O ATOM 0 H GLU A 22 16.720 -9.756 -35.079 1.00 0.00 H new ATOM 0 HA GLU A 22 18.667 -8.495 -36.685 1.00 0.00 H new ATOM 0 HB2 GLU A 22 19.065 -10.775 -37.573 1.00 0.00 H new ATOM 0 HB3 GLU A 22 18.954 -10.768 -35.824 1.00 0.00 H new ATOM 0 HG2 GLU A 22 16.643 -11.658 -35.952 1.00 0.00 H new ATOM 0 HG3 GLU A 22 16.718 -11.631 -37.703 1.00 0.00 H new ATOM 347 N GLN A 23 15.887 -9.314 -38.260 1.00 0.00 N ATOM 348 CA GLN A 23 15.138 -9.218 -39.521 1.00 0.00 C ATOM 349 C GLN A 23 14.687 -7.780 -39.793 1.00 0.00 C ATOM 350 O GLN A 23 14.694 -7.339 -40.949 1.00 0.00 O ATOM 351 CB GLN A 23 13.923 -10.188 -39.511 1.00 0.00 C ATOM 352 CG GLN A 23 14.308 -11.685 -39.414 1.00 0.00 C ATOM 353 CD GLN A 23 15.216 -12.172 -40.552 1.00 0.00 C ATOM 354 OE1 GLN A 23 15.134 -11.686 -41.684 1.00 0.00 O ATOM 355 NE2 GLN A 23 16.093 -13.128 -40.261 1.00 0.00 N ATOM 0 H GLN A 23 15.351 -9.722 -37.494 1.00 0.00 H new ATOM 0 HA GLN A 23 15.806 -9.512 -40.331 1.00 0.00 H new ATOM 0 HB2 GLN A 23 13.277 -9.935 -38.670 1.00 0.00 H new ATOM 0 HB3 GLN A 23 13.340 -10.032 -40.419 1.00 0.00 H new ATOM 0 HG2 GLN A 23 14.810 -11.859 -38.462 1.00 0.00 H new ATOM 0 HG3 GLN A 23 13.397 -12.284 -39.408 1.00 0.00 H new ATOM 0 HE21 GLN A 23 16.137 -13.510 -39.316 1.00 0.00 H new ATOM 0 HE22 GLN A 23 16.722 -13.480 -40.983 1.00 0.00 H new ATOM 364 N TYR A 24 14.292 -7.050 -38.731 1.00 0.00 N ATOM 365 CA TYR A 24 13.794 -5.670 -38.871 1.00 0.00 C ATOM 366 C TYR A 24 14.901 -4.620 -38.603 1.00 0.00 C ATOM 367 O TYR A 24 14.616 -3.424 -38.682 1.00 0.00 O ATOM 368 CB TYR A 24 12.574 -5.426 -37.942 1.00 0.00 C ATOM 369 CG TYR A 24 11.328 -6.275 -38.251 1.00 0.00 C ATOM 370 CD1 TYR A 24 11.315 -7.646 -38.012 1.00 0.00 C ATOM 371 CD2 TYR A 24 10.170 -5.701 -38.769 1.00 0.00 C ATOM 372 CE1 TYR A 24 10.195 -8.411 -38.274 1.00 0.00 C ATOM 373 CE2 TYR A 24 9.046 -6.454 -39.028 1.00 0.00 C ATOM 374 CZ TYR A 24 9.064 -7.811 -38.783 1.00 0.00 C ATOM 375 OH TYR A 24 7.941 -8.566 -39.038 1.00 0.00 O ATOM 0 H TYR A 24 14.309 -7.393 -37.771 1.00 0.00 H new ATOM 0 HA TYR A 24 13.475 -5.549 -39.906 1.00 0.00 H new ATOM 0 HB2 TYR A 24 12.878 -5.619 -36.913 1.00 0.00 H new ATOM 0 HB3 TYR A 24 12.299 -4.373 -38.001 1.00 0.00 H new ATOM 0 HD1 TYR A 24 12.199 -8.122 -37.613 1.00 0.00 H new ATOM 0 HD2 TYR A 24 10.153 -4.640 -38.972 1.00 0.00 H new ATOM 0 HE1 TYR A 24 10.206 -9.474 -38.081 1.00 0.00 H new ATOM 0 HE2 TYR A 24 8.156 -5.985 -39.421 1.00 0.00 H new ATOM 0 HH TYR A 24 7.233 -7.989 -39.393 1.00 0.00 H new ATOM 385 N LEU A 25 16.148 -5.054 -38.283 1.00 0.00 N ATOM 386 CA LEU A 25 17.283 -4.113 -38.071 1.00 0.00 C ATOM 387 C LEU A 25 17.533 -3.260 -39.328 1.00 0.00 C ATOM 388 O LEU A 25 17.797 -3.791 -40.408 1.00 0.00 O ATOM 389 CB LEU A 25 18.606 -4.836 -37.619 1.00 0.00 C ATOM 390 CG LEU A 25 18.928 -4.787 -36.085 1.00 0.00 C ATOM 391 CD1 LEU A 25 20.330 -5.341 -35.790 1.00 0.00 C ATOM 392 CD2 LEU A 25 18.776 -3.364 -35.520 1.00 0.00 C ATOM 0 H LEU A 25 16.393 -6.037 -38.167 1.00 0.00 H new ATOM 0 HA LEU A 25 16.989 -3.458 -37.251 1.00 0.00 H new ATOM 0 HB2 LEU A 25 18.548 -5.881 -37.924 1.00 0.00 H new ATOM 0 HB3 LEU A 25 19.442 -4.392 -38.160 1.00 0.00 H new ATOM 0 HG LEU A 25 18.200 -5.425 -35.584 1.00 0.00 H new ATOM 0 HD11 LEU A 25 20.522 -5.293 -34.718 1.00 0.00 H new ATOM 0 HD12 LEU A 25 20.389 -6.377 -36.123 1.00 0.00 H new ATOM 0 HD13 LEU A 25 21.075 -4.747 -36.319 1.00 0.00 H new ATOM 0 HD21 LEU A 25 19.007 -3.369 -34.455 1.00 0.00 H new ATOM 0 HD22 LEU A 25 19.461 -2.692 -36.037 1.00 0.00 H new ATOM 0 HD23 LEU A 25 17.752 -3.021 -35.668 1.00 0.00 H new ATOM 404 N GLY A 26 17.414 -1.936 -39.156 1.00 0.00 N ATOM 405 CA GLY A 26 17.643 -0.969 -40.229 1.00 0.00 C ATOM 406 C GLY A 26 16.351 -0.348 -40.736 1.00 0.00 C ATOM 407 O GLY A 26 16.370 0.756 -41.293 1.00 0.00 O ATOM 0 H GLY A 26 17.156 -1.509 -38.266 1.00 0.00 H new ATOM 0 HA2 GLY A 26 18.305 -0.181 -39.869 1.00 0.00 H new ATOM 0 HA3 GLY A 26 18.155 -1.462 -41.056 1.00 0.00 H new ATOM 411 N THR A 27 15.221 -1.059 -40.546 1.00 0.00 N ATOM 412 CA THR A 27 13.890 -0.554 -40.938 1.00 0.00 C ATOM 413 C THR A 27 13.391 0.453 -39.880 1.00 0.00 C ATOM 414 O THR A 27 13.994 0.595 -38.808 1.00 0.00 O ATOM 415 CB THR A 27 12.837 -1.712 -41.094 1.00 0.00 C ATOM 416 OG1 THR A 27 12.444 -2.214 -39.804 1.00 0.00 O ATOM 417 CG2 THR A 27 13.376 -2.880 -41.942 1.00 0.00 C ATOM 0 H THR A 27 15.204 -1.987 -40.122 1.00 0.00 H new ATOM 0 HA THR A 27 13.994 -0.069 -41.909 1.00 0.00 H new ATOM 0 HB THR A 27 11.976 -1.284 -41.608 1.00 0.00 H new ATOM 0 HG1 THR A 27 13.159 -2.778 -39.441 1.00 0.00 H new ATOM 0 HG21 THR A 27 12.613 -3.655 -42.021 1.00 0.00 H new ATOM 0 HG22 THR A 27 13.631 -2.519 -42.938 1.00 0.00 H new ATOM 0 HG23 THR A 27 14.266 -3.294 -41.467 1.00 0.00 H new ATOM 425 N ASP A 28 12.293 1.155 -40.189 1.00 0.00 N ATOM 426 CA ASP A 28 11.627 2.071 -39.234 1.00 0.00 C ATOM 427 C ASP A 28 10.894 1.273 -38.128 1.00 0.00 C ATOM 428 O ASP A 28 10.559 1.816 -37.066 1.00 0.00 O ATOM 429 CB ASP A 28 10.651 2.999 -40.001 1.00 0.00 C ATOM 430 CG ASP A 28 10.052 4.125 -39.135 1.00 0.00 C ATOM 431 OD1 ASP A 28 10.827 4.978 -38.646 1.00 0.00 O ATOM 432 OD2 ASP A 28 8.813 4.176 -38.954 1.00 0.00 O ATOM 0 H ASP A 28 11.838 1.110 -41.101 1.00 0.00 H new ATOM 0 HA ASP A 28 12.380 2.688 -38.744 1.00 0.00 H new ATOM 0 HB2 ASP A 28 11.176 3.444 -40.846 1.00 0.00 H new ATOM 0 HB3 ASP A 28 9.839 2.398 -40.411 1.00 0.00 H new ATOM 437 N GLU A 29 10.671 -0.029 -38.391 1.00 0.00 N ATOM 438 CA GLU A 29 10.007 -0.949 -37.453 1.00 0.00 C ATOM 439 C GLU A 29 10.952 -1.321 -36.289 1.00 0.00 C ATOM 440 O GLU A 29 10.510 -1.480 -35.144 1.00 0.00 O ATOM 441 CB GLU A 29 9.563 -2.232 -38.198 1.00 0.00 C ATOM 442 CG GLU A 29 8.782 -1.993 -39.505 1.00 0.00 C ATOM 443 CD GLU A 29 7.505 -1.161 -39.313 1.00 0.00 C ATOM 444 OE1 GLU A 29 6.468 -1.733 -38.911 1.00 0.00 O ATOM 445 OE2 GLU A 29 7.522 0.062 -39.580 1.00 0.00 O ATOM 0 H GLU A 29 10.949 -0.473 -39.266 1.00 0.00 H new ATOM 0 HA GLU A 29 9.131 -0.448 -37.041 1.00 0.00 H new ATOM 0 HB2 GLU A 29 10.448 -2.826 -38.426 1.00 0.00 H new ATOM 0 HB3 GLU A 29 8.944 -2.827 -37.527 1.00 0.00 H new ATOM 0 HG2 GLU A 29 9.431 -1.487 -40.220 1.00 0.00 H new ATOM 0 HG3 GLU A 29 8.516 -2.956 -39.941 1.00 0.00 H new ATOM 452 N LEU A 30 12.260 -1.463 -36.602 1.00 0.00 N ATOM 453 CA LEU A 30 13.304 -1.730 -35.595 1.00 0.00 C ATOM 454 C LEU A 30 14.611 -1.051 -36.060 1.00 0.00 C ATOM 455 O LEU A 30 15.462 -1.697 -36.682 1.00 0.00 O ATOM 456 CB LEU A 30 13.470 -3.279 -35.378 1.00 0.00 C ATOM 457 CG LEU A 30 14.062 -3.781 -34.017 1.00 0.00 C ATOM 458 CD1 LEU A 30 15.563 -3.483 -33.849 1.00 0.00 C ATOM 459 CD2 LEU A 30 13.254 -3.209 -32.851 1.00 0.00 C ATOM 0 H LEU A 30 12.617 -1.396 -37.555 1.00 0.00 H new ATOM 0 HA LEU A 30 13.025 -1.313 -34.627 1.00 0.00 H new ATOM 0 HB2 LEU A 30 12.490 -3.739 -35.504 1.00 0.00 H new ATOM 0 HB3 LEU A 30 14.106 -3.660 -36.177 1.00 0.00 H new ATOM 0 HG LEU A 30 13.978 -4.868 -34.020 1.00 0.00 H new ATOM 0 HD11 LEU A 30 15.903 -3.859 -32.884 1.00 0.00 H new ATOM 0 HD12 LEU A 30 16.123 -3.972 -34.646 1.00 0.00 H new ATOM 0 HD13 LEU A 30 15.728 -2.407 -33.897 1.00 0.00 H new ATOM 0 HD21 LEU A 30 13.673 -3.564 -31.909 1.00 0.00 H new ATOM 0 HD22 LEU A 30 13.295 -2.120 -32.879 1.00 0.00 H new ATOM 0 HD23 LEU A 30 12.217 -3.535 -32.932 1.00 0.00 H new ATOM 471 N PRO A 31 14.763 0.295 -35.838 1.00 0.00 N ATOM 472 CA PRO A 31 16.023 0.997 -36.150 1.00 0.00 C ATOM 473 C PRO A 31 17.157 0.559 -35.197 1.00 0.00 C ATOM 474 O PRO A 31 16.913 0.238 -34.026 1.00 0.00 O ATOM 475 CB PRO A 31 15.666 2.500 -36.002 1.00 0.00 C ATOM 476 CG PRO A 31 14.479 2.532 -35.080 1.00 0.00 C ATOM 477 CD PRO A 31 13.724 1.232 -35.309 1.00 0.00 C ATOM 0 HA PRO A 31 16.401 0.771 -37.147 1.00 0.00 H new ATOM 0 HB2 PRO A 31 16.502 3.065 -35.589 1.00 0.00 H new ATOM 0 HB3 PRO A 31 15.427 2.945 -36.968 1.00 0.00 H new ATOM 0 HG2 PRO A 31 14.796 2.619 -34.041 1.00 0.00 H new ATOM 0 HG3 PRO A 31 13.845 3.392 -35.293 1.00 0.00 H new ATOM 0 HD2 PRO A 31 13.284 0.858 -34.384 1.00 0.00 H new ATOM 0 HD3 PRO A 31 12.908 1.365 -36.019 1.00 0.00 H new ATOM 485 N LYS A 32 18.387 0.540 -35.737 1.00 0.00 N ATOM 486 CA LYS A 32 19.609 0.148 -35.007 1.00 0.00 C ATOM 487 C LYS A 32 19.802 1.004 -33.757 1.00 0.00 C ATOM 488 O LYS A 32 20.171 0.490 -32.702 1.00 0.00 O ATOM 489 CB LYS A 32 20.830 0.276 -35.946 1.00 0.00 C ATOM 490 CG LYS A 32 20.809 -0.698 -37.141 1.00 0.00 C ATOM 491 CD LYS A 32 22.028 -0.535 -38.067 1.00 0.00 C ATOM 492 CE LYS A 32 21.981 0.744 -38.910 1.00 0.00 C ATOM 493 NZ LYS A 32 23.161 0.860 -39.802 1.00 0.00 N ATOM 0 H LYS A 32 18.565 0.800 -36.707 1.00 0.00 H new ATOM 0 HA LYS A 32 19.508 -0.888 -34.684 1.00 0.00 H new ATOM 0 HB2 LYS A 32 20.879 1.297 -36.324 1.00 0.00 H new ATOM 0 HB3 LYS A 32 21.739 0.106 -35.368 1.00 0.00 H new ATOM 0 HG2 LYS A 32 20.776 -1.722 -36.768 1.00 0.00 H new ATOM 0 HG3 LYS A 32 19.897 -0.539 -37.717 1.00 0.00 H new ATOM 0 HD2 LYS A 32 22.936 -0.531 -37.464 1.00 0.00 H new ATOM 0 HD3 LYS A 32 22.090 -1.397 -38.731 1.00 0.00 H new ATOM 0 HE2 LYS A 32 21.070 0.751 -39.509 1.00 0.00 H new ATOM 0 HE3 LYS A 32 21.936 1.612 -38.252 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 22.954 1.535 -40.566 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 23.978 1.197 -39.254 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 23.379 -0.071 -40.212 1.00 0.00 H new ATOM 507 N ASN A 33 19.500 2.308 -33.898 1.00 0.00 N ATOM 508 CA ASN A 33 19.594 3.291 -32.802 1.00 0.00 C ATOM 509 C ASN A 33 18.747 2.841 -31.581 1.00 0.00 C ATOM 510 O ASN A 33 19.224 2.884 -30.448 1.00 0.00 O ATOM 511 CB ASN A 33 19.127 4.685 -33.293 1.00 0.00 C ATOM 512 CG ASN A 33 19.462 5.823 -32.318 1.00 0.00 C ATOM 513 OD1 ASN A 33 20.446 6.543 -32.497 1.00 0.00 O ATOM 514 ND2 ASN A 33 18.680 5.966 -31.259 1.00 0.00 N ATOM 0 H ASN A 33 19.182 2.711 -34.779 1.00 0.00 H new ATOM 0 HA ASN A 33 20.636 3.356 -32.489 1.00 0.00 H new ATOM 0 HB2 ASN A 33 19.590 4.895 -34.257 1.00 0.00 H new ATOM 0 HB3 ASN A 33 18.049 4.662 -33.455 1.00 0.00 H new ATOM 0 HD21 ASN A 33 18.886 6.686 -30.567 1.00 0.00 H new ATOM 0 HD22 ASN A 33 17.872 5.356 -31.136 1.00 0.00 H new ATOM 521 N ASP A 34 17.504 2.382 -31.847 1.00 0.00 N ATOM 522 CA ASP A 34 16.544 1.933 -30.794 1.00 0.00 C ATOM 523 C ASP A 34 17.056 0.683 -30.060 1.00 0.00 C ATOM 524 O ASP A 34 16.865 0.551 -28.846 1.00 0.00 O ATOM 525 CB ASP A 34 15.113 1.665 -31.395 1.00 0.00 C ATOM 526 CG ASP A 34 14.059 2.706 -30.962 1.00 0.00 C ATOM 527 OD1 ASP A 34 13.726 2.749 -29.760 1.00 0.00 O ATOM 528 OD2 ASP A 34 13.559 3.473 -31.817 1.00 0.00 O ATOM 0 H ASP A 34 17.131 2.309 -32.794 1.00 0.00 H new ATOM 0 HA ASP A 34 16.464 2.744 -30.070 1.00 0.00 H new ATOM 0 HB2 ASP A 34 15.180 1.658 -32.483 1.00 0.00 H new ATOM 0 HB3 ASP A 34 14.779 0.673 -31.090 1.00 0.00 H new ATOM 533 N LEU A 35 17.693 -0.225 -30.813 1.00 0.00 N ATOM 534 CA LEU A 35 18.287 -1.452 -30.252 1.00 0.00 C ATOM 535 C LEU A 35 19.377 -1.086 -29.225 1.00 0.00 C ATOM 536 O LEU A 35 19.305 -1.464 -28.053 1.00 0.00 O ATOM 537 CB LEU A 35 18.879 -2.322 -31.390 1.00 0.00 C ATOM 538 CG LEU A 35 19.505 -3.685 -30.954 1.00 0.00 C ATOM 539 CD1 LEU A 35 18.464 -4.579 -30.263 1.00 0.00 C ATOM 540 CD2 LEU A 35 20.146 -4.398 -32.143 1.00 0.00 C ATOM 0 H LEU A 35 17.812 -0.133 -31.822 1.00 0.00 H new ATOM 0 HA LEU A 35 17.512 -2.027 -29.745 1.00 0.00 H new ATOM 0 HB2 LEU A 35 18.090 -2.522 -32.115 1.00 0.00 H new ATOM 0 HB3 LEU A 35 19.645 -1.741 -31.904 1.00 0.00 H new ATOM 0 HG LEU A 35 20.291 -3.475 -30.229 1.00 0.00 H new ATOM 0 HD11 LEU A 35 18.929 -5.520 -29.971 1.00 0.00 H new ATOM 0 HD12 LEU A 35 18.081 -4.073 -29.377 1.00 0.00 H new ATOM 0 HD13 LEU A 35 17.642 -4.778 -30.950 1.00 0.00 H new ATOM 0 HD21 LEU A 35 20.574 -5.344 -31.812 1.00 0.00 H new ATOM 0 HD22 LEU A 35 19.389 -4.589 -32.904 1.00 0.00 H new ATOM 0 HD23 LEU A 35 20.932 -3.771 -32.563 1.00 0.00 H new ATOM 552 N ILE A 36 20.345 -0.299 -29.700 1.00 0.00 N ATOM 553 CA ILE A 36 21.479 0.213 -28.902 1.00 0.00 C ATOM 554 C ILE A 36 20.983 0.951 -27.636 1.00 0.00 C ATOM 555 O ILE A 36 21.553 0.781 -26.551 1.00 0.00 O ATOM 556 CB ILE A 36 22.351 1.170 -29.794 1.00 0.00 C ATOM 557 CG1 ILE A 36 22.844 0.412 -31.071 1.00 0.00 C ATOM 558 CG2 ILE A 36 23.552 1.774 -29.014 1.00 0.00 C ATOM 559 CD1 ILE A 36 23.371 1.302 -32.178 1.00 0.00 C ATOM 0 H ILE A 36 20.370 0.011 -30.671 1.00 0.00 H new ATOM 0 HA ILE A 36 22.087 -0.630 -28.573 1.00 0.00 H new ATOM 0 HB ILE A 36 21.719 2.006 -30.094 1.00 0.00 H new ATOM 0 HG12 ILE A 36 23.629 -0.286 -30.781 1.00 0.00 H new ATOM 0 HG13 ILE A 36 22.019 -0.182 -31.464 1.00 0.00 H new ATOM 0 HG21 ILE A 36 24.123 2.427 -29.674 1.00 0.00 H new ATOM 0 HG22 ILE A 36 23.182 2.349 -28.165 1.00 0.00 H new ATOM 0 HG23 ILE A 36 24.194 0.970 -28.655 1.00 0.00 H new ATOM 0 HD11 ILE A 36 23.689 0.686 -33.020 1.00 0.00 H new ATOM 0 HD12 ILE A 36 22.584 1.983 -32.503 1.00 0.00 H new ATOM 0 HD13 ILE A 36 24.220 1.878 -31.809 1.00 0.00 H new ATOM 571 N THR A 37 19.890 1.729 -27.804 1.00 0.00 N ATOM 572 CA THR A 37 19.224 2.459 -26.706 1.00 0.00 C ATOM 573 C THR A 37 18.751 1.481 -25.609 1.00 0.00 C ATOM 574 O THR A 37 19.068 1.678 -24.432 1.00 0.00 O ATOM 575 CB THR A 37 18.012 3.304 -27.224 1.00 0.00 C ATOM 576 OG1 THR A 37 18.471 4.296 -28.161 1.00 0.00 O ATOM 577 CG2 THR A 37 17.250 3.998 -26.080 1.00 0.00 C ATOM 0 H THR A 37 19.444 1.868 -28.711 1.00 0.00 H new ATOM 0 HA THR A 37 19.958 3.144 -26.282 1.00 0.00 H new ATOM 0 HB THR A 37 17.324 2.613 -27.711 1.00 0.00 H new ATOM 0 HG1 THR A 37 18.768 3.856 -28.985 1.00 0.00 H new ATOM 0 HG21 THR A 37 16.419 4.571 -26.491 1.00 0.00 H new ATOM 0 HG22 THR A 37 16.866 3.247 -25.390 1.00 0.00 H new ATOM 0 HG23 THR A 37 17.925 4.668 -25.548 1.00 0.00 H new ATOM 585 N TYR A 38 18.038 0.411 -26.024 1.00 0.00 N ATOM 586 CA TYR A 38 17.506 -0.613 -25.099 1.00 0.00 C ATOM 587 C TYR A 38 18.637 -1.214 -24.260 1.00 0.00 C ATOM 588 O TYR A 38 18.519 -1.325 -23.040 1.00 0.00 O ATOM 589 CB TYR A 38 16.783 -1.739 -25.886 1.00 0.00 C ATOM 590 CG TYR A 38 16.319 -2.937 -25.025 1.00 0.00 C ATOM 591 CD1 TYR A 38 15.083 -2.933 -24.391 1.00 0.00 C ATOM 592 CD2 TYR A 38 17.115 -4.076 -24.863 1.00 0.00 C ATOM 593 CE1 TYR A 38 14.664 -4.015 -23.631 1.00 0.00 C ATOM 594 CE2 TYR A 38 16.694 -5.156 -24.116 1.00 0.00 C ATOM 595 CZ TYR A 38 15.472 -5.117 -23.501 1.00 0.00 C ATOM 596 OH TYR A 38 15.048 -6.201 -22.772 1.00 0.00 O ATOM 0 H TYR A 38 17.816 0.234 -27.004 1.00 0.00 H new ATOM 0 HA TYR A 38 16.788 -0.130 -24.436 1.00 0.00 H new ATOM 0 HB2 TYR A 38 15.915 -1.312 -26.388 1.00 0.00 H new ATOM 0 HB3 TYR A 38 17.452 -2.106 -26.664 1.00 0.00 H new ATOM 0 HD1 TYR A 38 14.437 -2.073 -24.492 1.00 0.00 H new ATOM 0 HD2 TYR A 38 18.085 -4.110 -25.336 1.00 0.00 H new ATOM 0 HE1 TYR A 38 13.702 -3.990 -23.141 1.00 0.00 H new ATOM 0 HE2 TYR A 38 17.325 -6.027 -24.017 1.00 0.00 H new ATOM 0 HH TYR A 38 15.413 -6.148 -21.864 1.00 0.00 H new ATOM 606 N LEU A 39 19.726 -1.596 -24.943 1.00 0.00 N ATOM 607 CA LEU A 39 20.876 -2.252 -24.296 1.00 0.00 C ATOM 608 C LEU A 39 21.562 -1.325 -23.282 1.00 0.00 C ATOM 609 O LEU A 39 21.890 -1.756 -22.203 1.00 0.00 O ATOM 610 CB LEU A 39 21.896 -2.790 -25.339 1.00 0.00 C ATOM 611 CG LEU A 39 21.548 -4.172 -25.990 1.00 0.00 C ATOM 612 CD1 LEU A 39 20.308 -4.109 -26.888 1.00 0.00 C ATOM 613 CD2 LEU A 39 22.738 -4.732 -26.775 1.00 0.00 C ATOM 0 H LEU A 39 19.836 -1.462 -25.948 1.00 0.00 H new ATOM 0 HA LEU A 39 20.483 -3.109 -23.748 1.00 0.00 H new ATOM 0 HB2 LEU A 39 21.996 -2.051 -26.134 1.00 0.00 H new ATOM 0 HB3 LEU A 39 22.870 -2.873 -24.856 1.00 0.00 H new ATOM 0 HG LEU A 39 21.319 -4.846 -25.164 1.00 0.00 H new ATOM 0 HD11 LEU A 39 20.115 -5.095 -27.312 1.00 0.00 H new ATOM 0 HD12 LEU A 39 19.448 -3.793 -26.298 1.00 0.00 H new ATOM 0 HD13 LEU A 39 20.478 -3.395 -27.694 1.00 0.00 H new ATOM 0 HD21 LEU A 39 22.465 -5.691 -27.215 1.00 0.00 H new ATOM 0 HD22 LEU A 39 23.012 -4.035 -27.567 1.00 0.00 H new ATOM 0 HD23 LEU A 39 23.585 -4.869 -26.103 1.00 0.00 H new ATOM 625 N GLN A 40 21.769 -0.044 -23.618 1.00 0.00 N ATOM 626 CA GLN A 40 22.456 0.895 -22.695 1.00 0.00 C ATOM 627 C GLN A 40 21.545 1.351 -21.547 1.00 0.00 C ATOM 628 O GLN A 40 22.033 1.831 -20.520 1.00 0.00 O ATOM 629 CB GLN A 40 23.087 2.075 -23.469 1.00 0.00 C ATOM 630 CG GLN A 40 22.106 2.944 -24.271 1.00 0.00 C ATOM 631 CD GLN A 40 22.757 3.712 -25.429 1.00 0.00 C ATOM 632 OE1 GLN A 40 23.749 3.099 -26.083 1.00 0.00 O flip ATOM 633 NE2 GLN A 40 22.349 4.822 -25.760 1.00 0.00 N flip ATOM 0 H GLN A 40 21.479 0.369 -24.505 1.00 0.00 H new ATOM 0 HA GLN A 40 23.275 0.354 -22.222 1.00 0.00 H new ATOM 0 HB2 GLN A 40 23.612 2.713 -22.758 1.00 0.00 H new ATOM 0 HB3 GLN A 40 23.836 1.678 -24.154 1.00 0.00 H new ATOM 0 HG2 GLN A 40 21.315 2.308 -24.669 1.00 0.00 H new ATOM 0 HG3 GLN A 40 21.633 3.657 -23.596 1.00 0.00 H new ATOM 0 HE21 GLN A 40 21.590 5.262 -25.240 1.00 0.00 H new ATOM 0 HE22 GLN A 40 22.769 5.303 -26.555 1.00 0.00 H new ATOM 642 N LYS A 41 20.224 1.195 -21.728 1.00 0.00 N ATOM 643 CA LYS A 41 19.252 1.445 -20.652 1.00 0.00 C ATOM 644 C LYS A 41 19.191 0.255 -19.669 1.00 0.00 C ATOM 645 O LYS A 41 19.274 0.448 -18.448 1.00 0.00 O ATOM 646 CB LYS A 41 17.844 1.739 -21.227 1.00 0.00 C ATOM 647 CG LYS A 41 17.715 3.103 -21.947 1.00 0.00 C ATOM 648 CD LYS A 41 16.256 3.434 -22.333 1.00 0.00 C ATOM 649 CE LYS A 41 15.332 3.527 -21.103 1.00 0.00 C ATOM 650 NZ LYS A 41 13.935 3.866 -21.459 1.00 0.00 N ATOM 0 H LYS A 41 19.805 0.897 -22.609 1.00 0.00 H new ATOM 0 HA LYS A 41 19.590 2.325 -20.105 1.00 0.00 H new ATOM 0 HB2 LYS A 41 17.579 0.947 -21.927 1.00 0.00 H new ATOM 0 HB3 LYS A 41 17.119 1.702 -20.414 1.00 0.00 H new ATOM 0 HG2 LYS A 41 18.103 3.890 -21.300 1.00 0.00 H new ATOM 0 HG3 LYS A 41 18.332 3.095 -22.845 1.00 0.00 H new ATOM 0 HD2 LYS A 41 16.232 4.379 -22.875 1.00 0.00 H new ATOM 0 HD3 LYS A 41 15.879 2.668 -23.011 1.00 0.00 H new ATOM 0 HE2 LYS A 41 15.346 2.576 -20.571 1.00 0.00 H new ATOM 0 HE3 LYS A 41 15.721 4.281 -20.418 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 13.445 4.243 -20.623 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 13.933 4.582 -22.214 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 13.444 3.011 -21.791 1.00 0.00 H new ATOM 664 N ASN A 42 19.054 -0.974 -20.211 1.00 0.00 N ATOM 665 CA ASN A 42 18.802 -2.179 -19.388 1.00 0.00 C ATOM 666 C ASN A 42 20.120 -2.761 -18.854 1.00 0.00 C ATOM 667 O ASN A 42 20.227 -3.081 -17.675 1.00 0.00 O ATOM 668 CB ASN A 42 18.001 -3.250 -20.188 1.00 0.00 C ATOM 669 CG ASN A 42 16.560 -2.830 -20.551 1.00 0.00 C ATOM 670 OD1 ASN A 42 16.372 -1.630 -21.094 1.00 0.00 O flip ATOM 671 ND2 ASN A 42 15.620 -3.608 -20.390 1.00 0.00 N flip ATOM 0 H ASN A 42 19.113 -1.159 -21.212 1.00 0.00 H new ATOM 0 HA ASN A 42 18.194 -1.880 -18.534 1.00 0.00 H new ATOM 0 HB2 ASN A 42 18.542 -3.479 -21.106 1.00 0.00 H new ATOM 0 HB3 ASN A 42 17.962 -4.169 -19.603 1.00 0.00 H new ATOM 0 HD21 ASN A 42 15.782 -4.524 -19.972 1.00 0.00 H new ATOM 0 HD22 ASN A 42 14.679 -3.337 -20.675 1.00 0.00 H new ATOM 678 N ALA A 43 21.131 -2.865 -19.727 1.00 0.00 N ATOM 679 CA ALA A 43 22.466 -3.380 -19.348 1.00 0.00 C ATOM 680 C ALA A 43 23.278 -2.318 -18.608 1.00 0.00 C ATOM 681 O ALA A 43 23.085 -1.109 -18.817 1.00 0.00 O ATOM 682 CB ALA A 43 23.257 -3.865 -20.574 1.00 0.00 C ATOM 0 H ALA A 43 21.054 -2.599 -20.709 1.00 0.00 H new ATOM 0 HA ALA A 43 22.298 -4.228 -18.684 1.00 0.00 H new ATOM 0 HB1 ALA A 43 24.231 -4.236 -20.255 1.00 0.00 H new ATOM 0 HB2 ALA A 43 22.708 -4.667 -21.068 1.00 0.00 H new ATOM 0 HB3 ALA A 43 23.394 -3.037 -21.270 1.00 0.00 H new ATOM 688 N ASP A 44 24.185 -2.795 -17.746 1.00 0.00 N ATOM 689 CA ASP A 44 25.149 -1.960 -17.019 1.00 0.00 C ATOM 690 C ASP A 44 26.268 -1.529 -17.978 1.00 0.00 C ATOM 691 O ASP A 44 26.530 -2.224 -18.970 1.00 0.00 O ATOM 692 CB ASP A 44 25.739 -2.741 -15.817 1.00 0.00 C ATOM 693 CG ASP A 44 24.676 -3.309 -14.848 1.00 0.00 C ATOM 694 OD1 ASP A 44 23.932 -4.246 -15.237 1.00 0.00 O ATOM 695 OD2 ASP A 44 24.575 -2.824 -13.698 1.00 0.00 O ATOM 0 H ASP A 44 24.271 -3.788 -17.531 1.00 0.00 H new ATOM 0 HA ASP A 44 24.643 -1.075 -16.634 1.00 0.00 H new ATOM 0 HB2 ASP A 44 26.346 -3.563 -16.195 1.00 0.00 H new ATOM 0 HB3 ASP A 44 26.406 -2.082 -15.261 1.00 0.00 H new ATOM 700 N ALA A 45 26.943 -0.416 -17.645 1.00 0.00 N ATOM 701 CA ALA A 45 27.901 0.276 -18.550 1.00 0.00 C ATOM 702 C ALA A 45 28.981 -0.668 -19.133 1.00 0.00 C ATOM 703 O ALA A 45 29.414 -0.490 -20.271 1.00 0.00 O ATOM 704 CB ALA A 45 28.552 1.453 -17.808 1.00 0.00 C ATOM 0 H ALA A 45 26.845 0.038 -16.737 1.00 0.00 H new ATOM 0 HA ALA A 45 27.331 0.644 -19.403 1.00 0.00 H new ATOM 0 HB1 ALA A 45 29.253 1.959 -18.472 1.00 0.00 H new ATOM 0 HB2 ALA A 45 27.781 2.155 -17.492 1.00 0.00 H new ATOM 0 HB3 ALA A 45 29.085 1.081 -16.933 1.00 0.00 H new ATOM 710 N ALA A 46 29.352 -1.691 -18.339 1.00 0.00 N ATOM 711 CA ALA A 46 30.370 -2.704 -18.696 1.00 0.00 C ATOM 712 C ALA A 46 30.035 -3.433 -20.016 1.00 0.00 C ATOM 713 O ALA A 46 30.910 -3.645 -20.867 1.00 0.00 O ATOM 714 CB ALA A 46 30.483 -3.727 -17.559 1.00 0.00 C ATOM 0 H ALA A 46 28.947 -1.841 -17.415 1.00 0.00 H new ATOM 0 HA ALA A 46 31.318 -2.186 -18.842 1.00 0.00 H new ATOM 0 HB1 ALA A 46 31.232 -4.476 -17.817 1.00 0.00 H new ATOM 0 HB2 ALA A 46 30.778 -3.219 -16.641 1.00 0.00 H new ATOM 0 HB3 ALA A 46 29.519 -4.214 -17.410 1.00 0.00 H new ATOM 720 N PHE A 47 28.748 -3.795 -20.163 1.00 0.00 N ATOM 721 CA PHE A 47 28.238 -4.553 -21.322 1.00 0.00 C ATOM 722 C PHE A 47 28.404 -3.736 -22.614 1.00 0.00 C ATOM 723 O PHE A 47 28.789 -4.260 -23.658 1.00 0.00 O ATOM 724 CB PHE A 47 26.753 -4.913 -21.083 1.00 0.00 C ATOM 725 CG PHE A 47 26.156 -5.885 -22.101 1.00 0.00 C ATOM 726 CD1 PHE A 47 26.388 -7.254 -21.985 1.00 0.00 C ATOM 727 CD2 PHE A 47 25.378 -5.437 -23.173 1.00 0.00 C ATOM 728 CE1 PHE A 47 25.857 -8.145 -22.899 1.00 0.00 C ATOM 729 CE2 PHE A 47 24.852 -6.331 -24.086 1.00 0.00 C ATOM 730 CZ PHE A 47 25.096 -7.681 -23.950 1.00 0.00 C ATOM 0 H PHE A 47 28.027 -3.569 -19.477 1.00 0.00 H new ATOM 0 HA PHE A 47 28.812 -5.473 -21.435 1.00 0.00 H new ATOM 0 HB2 PHE A 47 26.655 -5.346 -20.088 1.00 0.00 H new ATOM 0 HB3 PHE A 47 26.166 -3.995 -21.091 1.00 0.00 H new ATOM 0 HD1 PHE A 47 26.991 -7.624 -21.169 1.00 0.00 H new ATOM 0 HD2 PHE A 47 25.186 -4.381 -23.289 1.00 0.00 H new ATOM 0 HE1 PHE A 47 26.038 -9.204 -22.789 1.00 0.00 H new ATOM 0 HE2 PHE A 47 24.249 -5.972 -24.907 1.00 0.00 H new ATOM 0 HZ PHE A 47 24.690 -8.377 -24.669 1.00 0.00 H new ATOM 740 N LEU A 48 28.129 -2.434 -22.510 1.00 0.00 N ATOM 741 CA LEU A 48 28.220 -1.507 -23.645 1.00 0.00 C ATOM 742 C LEU A 48 29.684 -1.178 -23.957 1.00 0.00 C ATOM 743 O LEU A 48 30.032 -0.919 -25.098 1.00 0.00 O ATOM 744 CB LEU A 48 27.411 -0.215 -23.364 1.00 0.00 C ATOM 745 CG LEU A 48 25.888 -0.391 -23.040 1.00 0.00 C ATOM 746 CD1 LEU A 48 25.213 -1.435 -23.949 1.00 0.00 C ATOM 747 CD2 LEU A 48 25.638 -0.694 -21.552 1.00 0.00 C ATOM 0 H LEU A 48 27.837 -1.991 -21.639 1.00 0.00 H new ATOM 0 HA LEU A 48 27.787 -1.993 -24.520 1.00 0.00 H new ATOM 0 HB2 LEU A 48 27.879 0.303 -22.527 1.00 0.00 H new ATOM 0 HB3 LEU A 48 27.500 0.437 -24.233 1.00 0.00 H new ATOM 0 HG LEU A 48 25.420 0.570 -23.254 1.00 0.00 H new ATOM 0 HD11 LEU A 48 24.159 -1.520 -23.685 1.00 0.00 H new ATOM 0 HD12 LEU A 48 25.302 -1.123 -24.990 1.00 0.00 H new ATOM 0 HD13 LEU A 48 25.699 -2.401 -23.817 1.00 0.00 H new ATOM 0 HD21 LEU A 48 24.568 -0.807 -21.379 1.00 0.00 H new ATOM 0 HD22 LEU A 48 26.150 -1.616 -21.278 1.00 0.00 H new ATOM 0 HD23 LEU A 48 26.019 0.127 -20.945 1.00 0.00 H new ATOM 759 N ARG A 49 30.538 -1.202 -22.929 1.00 0.00 N ATOM 760 CA ARG A 49 31.996 -1.021 -23.096 1.00 0.00 C ATOM 761 C ARG A 49 32.652 -2.308 -23.655 1.00 0.00 C ATOM 762 O ARG A 49 33.800 -2.275 -24.089 1.00 0.00 O ATOM 763 CB ARG A 49 32.632 -0.590 -21.750 1.00 0.00 C ATOM 764 CG ARG A 49 32.161 0.801 -21.262 1.00 0.00 C ATOM 765 CD ARG A 49 32.595 1.154 -19.828 1.00 0.00 C ATOM 766 NE ARG A 49 34.061 1.251 -19.671 1.00 0.00 N ATOM 767 CZ ARG A 49 34.721 2.305 -19.154 1.00 0.00 C ATOM 768 NH1 ARG A 49 34.073 3.404 -18.776 1.00 0.00 N ATOM 769 NH2 ARG A 49 36.036 2.250 -19.012 1.00 0.00 N ATOM 0 H ARG A 49 30.248 -1.346 -21.962 1.00 0.00 H new ATOM 0 HA ARG A 49 32.174 -0.229 -23.824 1.00 0.00 H new ATOM 0 HB2 ARG A 49 32.392 -1.333 -20.990 1.00 0.00 H new ATOM 0 HB3 ARG A 49 33.717 -0.581 -21.856 1.00 0.00 H new ATOM 0 HG2 ARG A 49 32.546 1.561 -21.942 1.00 0.00 H new ATOM 0 HG3 ARG A 49 31.073 0.843 -21.320 1.00 0.00 H new ATOM 0 HD2 ARG A 49 32.142 2.103 -19.541 1.00 0.00 H new ATOM 0 HD3 ARG A 49 32.212 0.398 -19.143 1.00 0.00 H new ATOM 0 HE ARG A 49 34.619 0.455 -19.979 1.00 0.00 H new ATOM 0 HH11 ARG A 49 33.059 3.458 -18.876 1.00 0.00 H new ATOM 0 HH12 ARG A 49 34.590 4.192 -18.386 1.00 0.00 H new ATOM 0 HH21 ARG A 49 36.545 1.412 -19.294 1.00 0.00 H new ATOM 0 HH22 ARG A 49 36.540 3.046 -18.621 1.00 0.00 H new ATOM 783 N HIS A 50 31.910 -3.439 -23.607 1.00 0.00 N ATOM 784 CA HIS A 50 32.294 -4.690 -24.295 1.00 0.00 C ATOM 785 C HIS A 50 31.956 -4.576 -25.802 1.00 0.00 C ATOM 786 O HIS A 50 32.842 -4.674 -26.658 1.00 0.00 O ATOM 787 CB HIS A 50 31.569 -5.908 -23.638 1.00 0.00 C ATOM 788 CG HIS A 50 31.885 -7.270 -24.234 1.00 0.00 C ATOM 789 ND1 HIS A 50 32.663 -8.216 -23.597 1.00 0.00 N ATOM 790 CD2 HIS A 50 31.496 -7.850 -25.398 1.00 0.00 C ATOM 791 CE1 HIS A 50 32.733 -9.307 -24.337 1.00 0.00 C ATOM 792 NE2 HIS A 50 32.033 -9.111 -25.433 1.00 0.00 N ATOM 0 H HIS A 50 31.032 -3.508 -23.092 1.00 0.00 H new ATOM 0 HA HIS A 50 33.368 -4.850 -24.196 1.00 0.00 H new ATOM 0 HB2 HIS A 50 31.823 -5.929 -22.578 1.00 0.00 H new ATOM 0 HB3 HIS A 50 30.493 -5.745 -23.704 1.00 0.00 H new ATOM 0 HD2 HIS A 50 30.876 -7.400 -26.159 1.00 0.00 H new ATOM 0 HE1 HIS A 50 33.273 -10.208 -24.085 1.00 0.00 H new ATOM 0 HE2 HIS A 50 31.910 -9.787 -26.187 1.00 0.00 H new ATOM 801 N TRP A 51 30.668 -4.337 -26.118 1.00 0.00 N ATOM 802 CA TRP A 51 30.152 -4.347 -27.517 1.00 0.00 C ATOM 803 C TRP A 51 30.320 -2.976 -28.228 1.00 0.00 C ATOM 804 O TRP A 51 29.844 -2.808 -29.358 1.00 0.00 O ATOM 805 CB TRP A 51 28.666 -4.795 -27.529 1.00 0.00 C ATOM 806 CG TRP A 51 28.452 -6.183 -26.974 1.00 0.00 C ATOM 807 CD1 TRP A 51 28.082 -6.517 -25.702 1.00 0.00 C ATOM 808 CD2 TRP A 51 28.610 -7.423 -27.677 1.00 0.00 C ATOM 809 NE1 TRP A 51 28.013 -7.875 -25.573 1.00 0.00 N ATOM 810 CE2 TRP A 51 28.333 -8.454 -26.768 1.00 0.00 C ATOM 811 CE3 TRP A 51 28.969 -7.762 -28.980 1.00 0.00 C ATOM 812 CZ2 TRP A 51 28.397 -9.793 -27.118 1.00 0.00 C ATOM 813 CZ3 TRP A 51 29.026 -9.096 -29.327 1.00 0.00 C ATOM 814 CH2 TRP A 51 28.749 -10.099 -28.397 1.00 0.00 C ATOM 0 H TRP A 51 29.953 -4.132 -25.420 1.00 0.00 H new ATOM 0 HA TRP A 51 30.751 -5.062 -28.080 1.00 0.00 H new ATOM 0 HB2 TRP A 51 28.076 -4.085 -26.949 1.00 0.00 H new ATOM 0 HB3 TRP A 51 28.292 -4.760 -28.552 1.00 0.00 H new ATOM 0 HD1 TRP A 51 27.874 -5.810 -24.913 1.00 0.00 H new ATOM 0 HE1 TRP A 51 27.763 -8.376 -24.721 1.00 0.00 H new ATOM 0 HE3 TRP A 51 29.198 -6.995 -29.705 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 28.175 -10.568 -26.400 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 29.290 -9.369 -30.338 1.00 0.00 H new ATOM 0 HH2 TRP A 51 28.815 -11.134 -28.697 1.00 0.00 H new ATOM 825 N LYS A 52 30.989 -2.014 -27.542 1.00 0.00 N ATOM 826 CA LYS A 52 31.348 -0.666 -28.082 1.00 0.00 C ATOM 827 C LYS A 52 30.101 0.242 -28.262 1.00 0.00 C ATOM 828 O LYS A 52 30.131 1.221 -29.015 1.00 0.00 O ATOM 829 CB LYS A 52 32.168 -0.766 -29.411 1.00 0.00 C ATOM 830 CG LYS A 52 33.499 -1.571 -29.346 1.00 0.00 C ATOM 831 CD LYS A 52 34.626 -0.905 -28.503 1.00 0.00 C ATOM 832 CE LYS A 52 34.593 -1.262 -27.004 1.00 0.00 C ATOM 833 NZ LYS A 52 34.853 -2.704 -26.770 1.00 0.00 N ATOM 0 H LYS A 52 31.302 -2.150 -26.581 1.00 0.00 H new ATOM 0 HA LYS A 52 31.989 -0.196 -27.336 1.00 0.00 H new ATOM 0 HB2 LYS A 52 31.532 -1.219 -30.171 1.00 0.00 H new ATOM 0 HB3 LYS A 52 32.397 0.245 -29.748 1.00 0.00 H new ATOM 0 HG2 LYS A 52 33.290 -2.558 -28.932 1.00 0.00 H new ATOM 0 HG3 LYS A 52 33.866 -1.722 -30.361 1.00 0.00 H new ATOM 0 HD2 LYS A 52 35.592 -1.199 -28.913 1.00 0.00 H new ATOM 0 HD3 LYS A 52 34.551 0.177 -28.608 1.00 0.00 H new ATOM 0 HE2 LYS A 52 35.338 -0.669 -26.474 1.00 0.00 H new ATOM 0 HE3 LYS A 52 33.620 -0.997 -26.590 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 35.204 -2.841 -25.801 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 33.971 -3.241 -26.897 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 35.566 -3.043 -27.448 1.00 0.00 H new ATOM 847 N LEU A 53 29.029 -0.070 -27.508 1.00 0.00 N ATOM 848 CA LEU A 53 27.747 0.677 -27.545 1.00 0.00 C ATOM 849 C LEU A 53 27.727 1.822 -26.499 1.00 0.00 C ATOM 850 O LEU A 53 26.688 2.465 -26.287 1.00 0.00 O ATOM 851 CB LEU A 53 26.574 -0.295 -27.259 1.00 0.00 C ATOM 852 CG LEU A 53 26.614 -1.673 -27.985 1.00 0.00 C ATOM 853 CD1 LEU A 53 25.441 -2.545 -27.533 1.00 0.00 C ATOM 854 CD2 LEU A 53 26.640 -1.523 -29.518 1.00 0.00 C ATOM 0 H LEU A 53 29.023 -0.851 -26.851 1.00 0.00 H new ATOM 0 HA LEU A 53 27.641 1.117 -28.537 1.00 0.00 H new ATOM 0 HB2 LEU A 53 26.537 -0.477 -26.185 1.00 0.00 H new ATOM 0 HB3 LEU A 53 25.644 0.205 -27.529 1.00 0.00 H new ATOM 0 HG LEU A 53 27.544 -2.167 -27.705 1.00 0.00 H new ATOM 0 HD11 LEU A 53 25.481 -3.505 -28.048 1.00 0.00 H new ATOM 0 HD12 LEU A 53 25.502 -2.708 -26.457 1.00 0.00 H new ATOM 0 HD13 LEU A 53 24.503 -2.044 -27.771 1.00 0.00 H new ATOM 0 HD21 LEU A 53 26.668 -2.510 -29.980 1.00 0.00 H new ATOM 0 HD22 LEU A 53 25.746 -0.993 -29.847 1.00 0.00 H new ATOM 0 HD23 LEU A 53 27.525 -0.959 -29.813 1.00 0.00 H new ATOM 866 N THR A 54 28.880 2.064 -25.852 1.00 0.00 N ATOM 867 CA THR A 54 29.004 3.014 -24.726 1.00 0.00 C ATOM 868 C THR A 54 29.176 4.485 -25.178 1.00 0.00 C ATOM 869 O THR A 54 28.991 5.410 -24.364 1.00 0.00 O ATOM 870 CB THR A 54 30.201 2.595 -23.812 1.00 0.00 C ATOM 871 OG1 THR A 54 30.294 3.455 -22.668 1.00 0.00 O ATOM 872 CG2 THR A 54 31.544 2.587 -24.576 1.00 0.00 C ATOM 0 H THR A 54 29.758 1.605 -26.094 1.00 0.00 H new ATOM 0 HA THR A 54 28.067 2.967 -24.172 1.00 0.00 H new ATOM 0 HB THR A 54 30.002 1.576 -23.479 1.00 0.00 H new ATOM 0 HG1 THR A 54 29.821 4.294 -22.850 1.00 0.00 H new ATOM 0 HG21 THR A 54 32.346 2.290 -23.900 1.00 0.00 H new ATOM 0 HG22 THR A 54 31.487 1.881 -25.404 1.00 0.00 H new ATOM 0 HG23 THR A 54 31.748 3.585 -24.964 1.00 0.00 H new ATOM 880 N GLY A 55 29.532 4.699 -26.464 1.00 0.00 N ATOM 881 CA GLY A 55 29.829 6.050 -26.987 1.00 0.00 C ATOM 882 C GLY A 55 28.574 6.808 -27.417 1.00 0.00 C ATOM 883 O GLY A 55 27.515 6.656 -26.800 1.00 0.00 O ATOM 0 H GLY A 55 29.620 3.955 -27.157 1.00 0.00 H new ATOM 0 HA2 GLY A 55 30.350 6.624 -26.221 1.00 0.00 H new ATOM 0 HA3 GLY A 55 30.506 5.965 -27.837 1.00 0.00 H new ATOM 887 N THR A 56 28.698 7.644 -28.469 1.00 0.00 N ATOM 888 CA THR A 56 27.551 8.343 -29.078 1.00 0.00 C ATOM 889 C THR A 56 26.810 7.380 -30.023 1.00 0.00 C ATOM 890 O THR A 56 27.421 6.791 -30.924 1.00 0.00 O ATOM 891 CB THR A 56 27.984 9.649 -29.840 1.00 0.00 C ATOM 892 OG1 THR A 56 26.861 10.221 -30.535 1.00 0.00 O ATOM 893 CG2 THR A 56 29.133 9.412 -30.836 1.00 0.00 C ATOM 0 H THR A 56 29.591 7.851 -28.917 1.00 0.00 H new ATOM 0 HA THR A 56 26.883 8.658 -28.277 1.00 0.00 H new ATOM 0 HB THR A 56 28.348 10.340 -29.080 1.00 0.00 H new ATOM 0 HG1 THR A 56 27.145 11.034 -31.003 1.00 0.00 H new ATOM 0 HG21 THR A 56 29.386 10.350 -31.330 1.00 0.00 H new ATOM 0 HG22 THR A 56 30.006 9.036 -30.302 1.00 0.00 H new ATOM 0 HG23 THR A 56 28.822 8.681 -31.583 1.00 0.00 H new ATOM 901 N ASN A 57 25.487 7.244 -29.805 1.00 0.00 N ATOM 902 CA ASN A 57 24.636 6.241 -30.488 1.00 0.00 C ATOM 903 C ASN A 57 24.669 6.409 -32.026 1.00 0.00 C ATOM 904 O ASN A 57 24.510 5.439 -32.754 1.00 0.00 O ATOM 905 CB ASN A 57 23.180 6.317 -29.937 1.00 0.00 C ATOM 906 CG ASN A 57 22.309 5.079 -30.227 1.00 0.00 C ATOM 907 OD1 ASN A 57 22.467 4.387 -31.231 1.00 0.00 O ATOM 908 ND2 ASN A 57 21.372 4.795 -29.335 1.00 0.00 N ATOM 0 H ASN A 57 24.973 7.829 -29.147 1.00 0.00 H new ATOM 0 HA ASN A 57 25.038 5.251 -30.275 1.00 0.00 H new ATOM 0 HB2 ASN A 57 23.223 6.468 -28.858 1.00 0.00 H new ATOM 0 HB3 ASN A 57 22.692 7.194 -30.362 1.00 0.00 H new ATOM 0 HD21 ASN A 57 20.764 3.988 -29.474 1.00 0.00 H new ATOM 0 HD22 ASN A 57 21.259 5.383 -28.509 1.00 0.00 H new ATOM 915 N LYS A 58 24.927 7.640 -32.494 1.00 0.00 N ATOM 916 CA LYS A 58 25.049 7.966 -33.932 1.00 0.00 C ATOM 917 C LYS A 58 26.211 7.192 -34.595 1.00 0.00 C ATOM 918 O LYS A 58 26.022 6.490 -35.611 1.00 0.00 O ATOM 919 CB LYS A 58 25.254 9.493 -34.092 1.00 0.00 C ATOM 920 CG LYS A 58 25.419 9.987 -35.550 1.00 0.00 C ATOM 921 CD LYS A 58 25.399 11.531 -35.662 1.00 0.00 C ATOM 922 CE LYS A 58 24.038 12.132 -35.259 1.00 0.00 C ATOM 923 NZ LYS A 58 24.041 13.612 -35.309 1.00 0.00 N ATOM 0 H LYS A 58 25.059 8.447 -31.884 1.00 0.00 H new ATOM 0 HA LYS A 58 24.131 7.663 -34.435 1.00 0.00 H new ATOM 0 HB2 LYS A 58 24.402 10.006 -33.646 1.00 0.00 H new ATOM 0 HB3 LYS A 58 26.137 9.786 -33.524 1.00 0.00 H new ATOM 0 HG2 LYS A 58 26.359 9.609 -35.953 1.00 0.00 H new ATOM 0 HG3 LYS A 58 24.619 9.572 -36.163 1.00 0.00 H new ATOM 0 HD2 LYS A 58 26.180 11.949 -35.027 1.00 0.00 H new ATOM 0 HD3 LYS A 58 25.632 11.821 -36.686 1.00 0.00 H new ATOM 0 HE2 LYS A 58 23.263 11.750 -35.924 1.00 0.00 H new ATOM 0 HE3 LYS A 58 23.783 11.805 -34.251 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 23.105 13.971 -35.030 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 24.762 13.980 -34.656 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 24.258 13.926 -36.276 1.00 0.00 H new ATOM 937 N SER A 59 27.403 7.302 -33.983 1.00 0.00 N ATOM 938 CA SER A 59 28.618 6.649 -34.490 1.00 0.00 C ATOM 939 C SER A 59 28.496 5.117 -34.369 1.00 0.00 C ATOM 940 O SER A 59 29.101 4.385 -35.138 1.00 0.00 O ATOM 941 CB SER A 59 29.871 7.159 -33.735 1.00 0.00 C ATOM 942 OG SER A 59 31.068 6.652 -34.307 1.00 0.00 O ATOM 0 H SER A 59 27.549 7.842 -33.130 1.00 0.00 H new ATOM 0 HA SER A 59 28.730 6.904 -35.544 1.00 0.00 H new ATOM 0 HB2 SER A 59 29.890 8.249 -33.755 1.00 0.00 H new ATOM 0 HB3 SER A 59 29.812 6.861 -32.688 1.00 0.00 H new ATOM 0 HG SER A 59 31.839 6.994 -33.808 1.00 0.00 H new ATOM 948 N ILE A 60 27.685 4.647 -33.414 1.00 0.00 N ATOM 949 CA ILE A 60 27.508 3.214 -33.162 1.00 0.00 C ATOM 950 C ILE A 60 26.551 2.591 -34.206 1.00 0.00 C ATOM 951 O ILE A 60 26.903 1.631 -34.855 1.00 0.00 O ATOM 952 CB ILE A 60 26.981 2.978 -31.705 1.00 0.00 C ATOM 953 CG1 ILE A 60 27.909 3.686 -30.661 1.00 0.00 C ATOM 954 CG2 ILE A 60 26.867 1.470 -31.394 1.00 0.00 C ATOM 955 CD1 ILE A 60 27.311 3.826 -29.275 1.00 0.00 C ATOM 0 H ILE A 60 27.136 5.246 -32.798 1.00 0.00 H new ATOM 0 HA ILE A 60 28.476 2.722 -33.258 1.00 0.00 H new ATOM 0 HB ILE A 60 25.985 3.414 -31.633 1.00 0.00 H new ATOM 0 HG12 ILE A 60 28.841 3.126 -30.585 1.00 0.00 H new ATOM 0 HG13 ILE A 60 28.163 4.678 -31.034 1.00 0.00 H new ATOM 0 HG21 ILE A 60 26.499 1.335 -30.377 1.00 0.00 H new ATOM 0 HG22 ILE A 60 26.174 1.005 -32.095 1.00 0.00 H new ATOM 0 HG23 ILE A 60 27.847 1.004 -31.490 1.00 0.00 H new ATOM 0 HD11 ILE A 60 28.024 4.327 -28.620 1.00 0.00 H new ATOM 0 HD12 ILE A 60 26.395 4.414 -29.332 1.00 0.00 H new ATOM 0 HD13 ILE A 60 27.084 2.838 -28.875 1.00 0.00 H new ATOM 967 N ARG A 61 25.351 3.162 -34.390 1.00 0.00 N ATOM 968 CA ARG A 61 24.371 2.649 -35.387 1.00 0.00 C ATOM 969 C ARG A 61 24.966 2.657 -36.808 1.00 0.00 C ATOM 970 O ARG A 61 24.681 1.766 -37.608 1.00 0.00 O ATOM 971 CB ARG A 61 23.050 3.461 -35.351 1.00 0.00 C ATOM 972 CG ARG A 61 23.236 4.963 -35.647 1.00 0.00 C ATOM 973 CD ARG A 61 21.948 5.779 -35.536 1.00 0.00 C ATOM 974 NE ARG A 61 20.987 5.450 -36.601 1.00 0.00 N ATOM 975 CZ ARG A 61 19.963 6.230 -36.967 1.00 0.00 C ATOM 976 NH1 ARG A 61 19.711 7.367 -36.328 1.00 0.00 N ATOM 977 NH2 ARG A 61 19.200 5.874 -37.982 1.00 0.00 N ATOM 0 H ARG A 61 25.027 3.977 -33.869 1.00 0.00 H new ATOM 0 HA ARG A 61 24.144 1.618 -35.116 1.00 0.00 H new ATOM 0 HB2 ARG A 61 22.355 3.040 -36.078 1.00 0.00 H new ATOM 0 HB3 ARG A 61 22.591 3.348 -34.369 1.00 0.00 H new ATOM 0 HG2 ARG A 61 23.974 5.371 -34.956 1.00 0.00 H new ATOM 0 HG3 ARG A 61 23.642 5.078 -36.652 1.00 0.00 H new ATOM 0 HD2 ARG A 61 21.488 5.597 -34.565 1.00 0.00 H new ATOM 0 HD3 ARG A 61 22.188 6.841 -35.581 1.00 0.00 H new ATOM 0 HE ARG A 61 21.110 4.566 -37.095 1.00 0.00 H new ATOM 0 HH11 ARG A 61 20.301 7.655 -35.548 1.00 0.00 H new ATOM 0 HH12 ARG A 61 18.927 7.952 -36.618 1.00 0.00 H new ATOM 0 HH21 ARG A 61 19.391 5.007 -38.485 1.00 0.00 H new ATOM 0 HH22 ARG A 61 18.418 6.465 -38.264 1.00 0.00 H new ATOM 991 N LYS A 62 25.812 3.662 -37.096 1.00 0.00 N ATOM 992 CA LYS A 62 26.451 3.795 -38.412 1.00 0.00 C ATOM 993 C LYS A 62 27.646 2.820 -38.573 1.00 0.00 C ATOM 994 O LYS A 62 27.675 2.014 -39.512 1.00 0.00 O ATOM 995 CB LYS A 62 26.906 5.261 -38.629 1.00 0.00 C ATOM 996 CG LYS A 62 27.456 5.562 -40.044 1.00 0.00 C ATOM 997 CD LYS A 62 27.917 7.027 -40.212 1.00 0.00 C ATOM 998 CE LYS A 62 26.779 8.051 -40.023 1.00 0.00 C ATOM 999 NZ LYS A 62 27.263 9.451 -40.108 1.00 0.00 N ATOM 0 H LYS A 62 26.068 4.393 -36.432 1.00 0.00 H new ATOM 0 HA LYS A 62 25.717 3.531 -39.173 1.00 0.00 H new ATOM 0 HB2 LYS A 62 26.062 5.922 -38.433 1.00 0.00 H new ATOM 0 HB3 LYS A 62 27.676 5.501 -37.896 1.00 0.00 H new ATOM 0 HG2 LYS A 62 28.294 4.897 -40.251 1.00 0.00 H new ATOM 0 HG3 LYS A 62 26.685 5.342 -40.782 1.00 0.00 H new ATOM 0 HD2 LYS A 62 28.708 7.236 -39.492 1.00 0.00 H new ATOM 0 HD3 LYS A 62 28.348 7.153 -41.205 1.00 0.00 H new ATOM 0 HE2 LYS A 62 26.015 7.886 -40.783 1.00 0.00 H new ATOM 0 HE3 LYS A 62 26.306 7.890 -39.054 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 26.464 10.103 -39.975 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 27.973 9.618 -39.367 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 27.691 9.614 -41.042 1.00 0.00 H new ATOM 1013 N ASN A 63 28.608 2.887 -37.635 1.00 0.00 N ATOM 1014 CA ASN A 63 29.932 2.219 -37.773 1.00 0.00 C ATOM 1015 C ASN A 63 29.938 0.798 -37.190 1.00 0.00 C ATOM 1016 O ASN A 63 30.656 -0.072 -37.694 1.00 0.00 O ATOM 1017 CB ASN A 63 31.043 3.078 -37.117 1.00 0.00 C ATOM 1018 CG ASN A 63 31.267 4.399 -37.865 1.00 0.00 C ATOM 1019 OD1 ASN A 63 32.016 4.451 -38.832 1.00 0.00 O ATOM 1020 ND2 ASN A 63 30.622 5.472 -37.423 1.00 0.00 N ATOM 0 H ASN A 63 28.499 3.401 -36.761 1.00 0.00 H new ATOM 0 HA ASN A 63 30.133 2.127 -38.840 1.00 0.00 H new ATOM 0 HB2 ASN A 63 30.774 3.289 -36.082 1.00 0.00 H new ATOM 0 HB3 ASN A 63 31.974 2.511 -37.096 1.00 0.00 H new ATOM 0 HD21 ASN A 63 30.744 6.370 -37.892 1.00 0.00 H new ATOM 0 HD22 ASN A 63 30.004 5.399 -36.615 1.00 0.00 H new ATOM 1027 N ARG A 64 29.165 0.574 -36.116 1.00 0.00 N ATOM 1028 CA ARG A 64 28.992 -0.775 -35.535 1.00 0.00 C ATOM 1029 C ARG A 64 27.992 -1.529 -36.425 1.00 0.00 C ATOM 1030 O ARG A 64 26.856 -1.066 -36.605 1.00 0.00 O ATOM 1031 CB ARG A 64 28.492 -0.711 -34.050 1.00 0.00 C ATOM 1032 CG ARG A 64 29.002 -1.845 -33.137 1.00 0.00 C ATOM 1033 CD ARG A 64 30.518 -1.744 -32.920 1.00 0.00 C ATOM 1034 NE ARG A 64 31.067 -2.861 -32.134 1.00 0.00 N ATOM 1035 CZ ARG A 64 32.294 -3.365 -32.295 1.00 0.00 C ATOM 1036 NH1 ARG A 64 33.091 -2.915 -33.254 1.00 0.00 N ATOM 1037 NH2 ARG A 64 32.723 -4.323 -31.497 1.00 0.00 N ATOM 0 H ARG A 64 28.648 1.307 -35.629 1.00 0.00 H new ATOM 0 HA ARG A 64 29.950 -1.294 -35.507 1.00 0.00 H new ATOM 0 HB2 ARG A 64 28.797 0.244 -33.622 1.00 0.00 H new ATOM 0 HB3 ARG A 64 27.402 -0.728 -34.049 1.00 0.00 H new ATOM 0 HG2 ARG A 64 28.491 -1.799 -32.176 1.00 0.00 H new ATOM 0 HG3 ARG A 64 28.759 -2.810 -33.581 1.00 0.00 H new ATOM 0 HD2 ARG A 64 31.016 -1.711 -33.889 1.00 0.00 H new ATOM 0 HD3 ARG A 64 30.744 -0.806 -32.413 1.00 0.00 H new ATOM 0 HE ARG A 64 30.471 -3.278 -31.419 1.00 0.00 H new ATOM 0 HH11 ARG A 64 32.770 -2.176 -33.879 1.00 0.00 H new ATOM 0 HH12 ARG A 64 34.026 -3.308 -33.367 1.00 0.00 H new ATOM 0 HH21 ARG A 64 32.118 -4.679 -30.757 1.00 0.00 H new ATOM 0 HH22 ARG A 64 33.660 -4.708 -31.620 1.00 0.00 H new ATOM 1051 N ASN A 65 28.442 -2.653 -37.007 1.00 0.00 N ATOM 1052 CA ASN A 65 27.651 -3.438 -37.976 1.00 0.00 C ATOM 1053 C ASN A 65 26.343 -3.940 -37.350 1.00 0.00 C ATOM 1054 O ASN A 65 26.304 -4.230 -36.149 1.00 0.00 O ATOM 1055 CB ASN A 65 28.480 -4.636 -38.510 1.00 0.00 C ATOM 1056 CG ASN A 65 29.719 -4.196 -39.293 1.00 0.00 C ATOM 1057 OD1 ASN A 65 30.796 -4.010 -38.727 1.00 0.00 O ATOM 1058 ND2 ASN A 65 29.572 -4.013 -40.599 1.00 0.00 N ATOM 0 H ASN A 65 29.365 -3.045 -36.820 1.00 0.00 H new ATOM 0 HA ASN A 65 27.399 -2.781 -38.809 1.00 0.00 H new ATOM 0 HB2 ASN A 65 28.788 -5.261 -37.672 1.00 0.00 H new ATOM 0 HB3 ASN A 65 27.849 -5.251 -39.152 1.00 0.00 H new ATOM 0 HD21 ASN A 65 30.365 -3.710 -41.164 1.00 0.00 H new ATOM 0 HD22 ASN A 65 28.666 -4.176 -41.038 1.00 0.00 H new ATOM 1065 N CYS A 66 25.282 -4.026 -38.179 1.00 0.00 N ATOM 1066 CA CYS A 66 23.965 -4.541 -37.764 1.00 0.00 C ATOM 1067 C CYS A 66 24.112 -5.946 -37.155 1.00 0.00 C ATOM 1068 O CYS A 66 23.524 -6.235 -36.125 1.00 0.00 O ATOM 1069 CB CYS A 66 23.014 -4.585 -38.976 1.00 0.00 C ATOM 1070 SG CYS A 66 23.002 -3.065 -39.940 1.00 0.00 S ATOM 0 H CYS A 66 25.317 -3.739 -39.157 1.00 0.00 H new ATOM 0 HA CYS A 66 23.547 -3.875 -37.009 1.00 0.00 H new ATOM 0 HB2 CYS A 66 23.302 -5.413 -39.623 1.00 0.00 H new ATOM 0 HB3 CYS A 66 22.003 -4.791 -38.626 1.00 0.00 H new ATOM 0 HG CYS A 66 21.774 -2.728 -40.204 1.00 0.00 H new ATOM 1076 N SER A 67 24.960 -6.777 -37.804 1.00 0.00 N ATOM 1077 CA SER A 67 25.311 -8.137 -37.344 1.00 0.00 C ATOM 1078 C SER A 67 25.879 -8.132 -35.902 1.00 0.00 C ATOM 1079 O SER A 67 25.543 -8.999 -35.088 1.00 0.00 O ATOM 1080 CB SER A 67 26.337 -8.742 -38.322 1.00 0.00 C ATOM 1081 OG SER A 67 25.862 -8.662 -39.657 1.00 0.00 O ATOM 0 H SER A 67 25.425 -6.516 -38.674 1.00 0.00 H new ATOM 0 HA SER A 67 24.405 -8.742 -37.326 1.00 0.00 H new ATOM 0 HB2 SER A 67 27.286 -8.213 -38.236 1.00 0.00 H new ATOM 0 HB3 SER A 67 26.528 -9.783 -38.060 1.00 0.00 H new ATOM 0 HG SER A 67 26.527 -9.049 -40.264 1.00 0.00 H new ATOM 1087 N GLN A 68 26.719 -7.119 -35.610 1.00 0.00 N ATOM 1088 CA GLN A 68 27.358 -6.943 -34.288 1.00 0.00 C ATOM 1089 C GLN A 68 26.304 -6.558 -33.224 1.00 0.00 C ATOM 1090 O GLN A 68 26.385 -6.992 -32.071 1.00 0.00 O ATOM 1091 CB GLN A 68 28.478 -5.857 -34.364 1.00 0.00 C ATOM 1092 CG GLN A 68 29.338 -5.725 -33.090 1.00 0.00 C ATOM 1093 CD GLN A 68 30.208 -6.960 -32.833 1.00 0.00 C ATOM 1094 OE1 GLN A 68 29.657 -7.948 -32.143 1.00 0.00 O flip ATOM 1095 NE2 GLN A 68 31.361 -7.027 -33.261 1.00 0.00 N flip ATOM 0 H GLN A 68 26.975 -6.398 -36.285 1.00 0.00 H new ATOM 0 HA GLN A 68 27.813 -7.890 -33.996 1.00 0.00 H new ATOM 0 HB2 GLN A 68 29.132 -6.088 -35.205 1.00 0.00 H new ATOM 0 HB3 GLN A 68 28.016 -4.893 -34.575 1.00 0.00 H new ATOM 0 HG2 GLN A 68 29.978 -4.847 -33.178 1.00 0.00 H new ATOM 0 HG3 GLN A 68 28.686 -5.560 -32.232 1.00 0.00 H new ATOM 0 HE21 GLN A 68 31.755 -6.248 -33.789 1.00 0.00 H new ATOM 0 HE22 GLN A 68 31.922 -7.861 -33.088 1.00 0.00 H new ATOM 1104 N LEU A 69 25.321 -5.742 -33.648 1.00 0.00 N ATOM 1105 CA LEU A 69 24.228 -5.251 -32.783 1.00 0.00 C ATOM 1106 C LEU A 69 23.251 -6.394 -32.412 1.00 0.00 C ATOM 1107 O LEU A 69 22.772 -6.463 -31.270 1.00 0.00 O ATOM 1108 CB LEU A 69 23.489 -4.088 -33.498 1.00 0.00 C ATOM 1109 CG LEU A 69 24.381 -2.879 -33.920 1.00 0.00 C ATOM 1110 CD1 LEU A 69 23.585 -1.847 -34.735 1.00 0.00 C ATOM 1111 CD2 LEU A 69 25.051 -2.227 -32.698 1.00 0.00 C ATOM 0 H LEU A 69 25.261 -5.401 -34.608 1.00 0.00 H new ATOM 0 HA LEU A 69 24.653 -4.880 -31.850 1.00 0.00 H new ATOM 0 HB2 LEU A 69 23.001 -4.485 -34.388 1.00 0.00 H new ATOM 0 HB3 LEU A 69 22.701 -3.723 -32.839 1.00 0.00 H new ATOM 0 HG LEU A 69 25.170 -3.266 -34.565 1.00 0.00 H new ATOM 0 HD11 LEU A 69 24.238 -1.019 -35.011 1.00 0.00 H new ATOM 0 HD12 LEU A 69 23.195 -2.318 -35.637 1.00 0.00 H new ATOM 0 HD13 LEU A 69 22.756 -1.470 -34.135 1.00 0.00 H new ATOM 0 HD21 LEU A 69 25.666 -1.388 -33.024 1.00 0.00 H new ATOM 0 HD22 LEU A 69 24.285 -1.869 -32.010 1.00 0.00 H new ATOM 0 HD23 LEU A 69 25.678 -2.961 -32.192 1.00 0.00 H new ATOM 1123 N ILE A 70 22.957 -7.280 -33.396 1.00 0.00 N ATOM 1124 CA ILE A 70 22.176 -8.527 -33.165 1.00 0.00 C ATOM 1125 C ILE A 70 22.896 -9.371 -32.115 1.00 0.00 C ATOM 1126 O ILE A 70 22.298 -9.775 -31.137 1.00 0.00 O ATOM 1127 CB ILE A 70 22.015 -9.437 -34.452 1.00 0.00 C ATOM 1128 CG1 ILE A 70 21.525 -8.626 -35.682 1.00 0.00 C ATOM 1129 CG2 ILE A 70 21.049 -10.627 -34.161 1.00 0.00 C ATOM 1130 CD1 ILE A 70 21.688 -9.327 -37.027 1.00 0.00 C ATOM 0 H ILE A 70 23.250 -7.155 -34.365 1.00 0.00 H new ATOM 0 HA ILE A 70 21.182 -8.205 -32.854 1.00 0.00 H new ATOM 0 HB ILE A 70 23.001 -9.832 -34.697 1.00 0.00 H new ATOM 0 HG12 ILE A 70 20.472 -8.384 -35.542 1.00 0.00 H new ATOM 0 HG13 ILE A 70 22.068 -7.681 -35.714 1.00 0.00 H new ATOM 0 HG21 ILE A 70 20.950 -11.242 -35.055 1.00 0.00 H new ATOM 0 HG22 ILE A 70 21.451 -11.231 -33.348 1.00 0.00 H new ATOM 0 HG23 ILE A 70 20.071 -10.240 -33.876 1.00 0.00 H new ATOM 0 HD11 ILE A 70 21.317 -8.680 -37.822 1.00 0.00 H new ATOM 0 HD12 ILE A 70 22.742 -9.545 -37.198 1.00 0.00 H new ATOM 0 HD13 ILE A 70 21.121 -10.258 -37.023 1.00 0.00 H new ATOM 1142 N ALA A 71 24.204 -9.603 -32.360 1.00 0.00 N ATOM 1143 CA ALA A 71 25.080 -10.409 -31.489 1.00 0.00 C ATOM 1144 C ALA A 71 25.092 -9.869 -30.049 1.00 0.00 C ATOM 1145 O ALA A 71 25.148 -10.641 -29.097 1.00 0.00 O ATOM 1146 CB ALA A 71 26.505 -10.448 -32.067 1.00 0.00 C ATOM 0 H ALA A 71 24.685 -9.230 -33.179 1.00 0.00 H new ATOM 0 HA ALA A 71 24.684 -11.424 -31.454 1.00 0.00 H new ATOM 0 HB1 ALA A 71 27.145 -11.045 -31.417 1.00 0.00 H new ATOM 0 HB2 ALA A 71 26.482 -10.893 -33.062 1.00 0.00 H new ATOM 0 HB3 ALA A 71 26.899 -9.434 -32.132 1.00 0.00 H new ATOM 1152 N ALA A 72 25.022 -8.535 -29.921 1.00 0.00 N ATOM 1153 CA ALA A 72 24.979 -7.853 -28.618 1.00 0.00 C ATOM 1154 C ALA A 72 23.665 -8.173 -27.856 1.00 0.00 C ATOM 1155 O ALA A 72 23.699 -8.651 -26.717 1.00 0.00 O ATOM 1156 CB ALA A 72 25.159 -6.341 -28.822 1.00 0.00 C ATOM 0 H ALA A 72 24.994 -7.899 -30.718 1.00 0.00 H new ATOM 0 HA ALA A 72 25.798 -8.221 -28.001 1.00 0.00 H new ATOM 0 HB1 ALA A 72 25.127 -5.837 -27.856 1.00 0.00 H new ATOM 0 HB2 ALA A 72 26.120 -6.150 -29.299 1.00 0.00 H new ATOM 0 HB3 ALA A 72 24.358 -5.961 -29.456 1.00 0.00 H new ATOM 1162 N TYR A 73 22.510 -7.928 -28.523 1.00 0.00 N ATOM 1163 CA TYR A 73 21.158 -8.201 -27.956 1.00 0.00 C ATOM 1164 C TYR A 73 20.968 -9.698 -27.673 1.00 0.00 C ATOM 1165 O TYR A 73 20.319 -10.090 -26.700 1.00 0.00 O ATOM 1166 CB TYR A 73 20.058 -7.712 -28.934 1.00 0.00 C ATOM 1167 CG TYR A 73 18.608 -7.897 -28.424 1.00 0.00 C ATOM 1168 CD1 TYR A 73 18.013 -6.946 -27.595 1.00 0.00 C ATOM 1169 CD2 TYR A 73 17.841 -9.018 -28.765 1.00 0.00 C ATOM 1170 CE1 TYR A 73 16.728 -7.099 -27.128 1.00 0.00 C ATOM 1171 CE2 TYR A 73 16.545 -9.171 -28.298 1.00 0.00 C ATOM 1172 CZ TYR A 73 15.999 -8.208 -27.477 1.00 0.00 C ATOM 1173 OH TYR A 73 14.714 -8.348 -27.003 1.00 0.00 O ATOM 0 H TYR A 73 22.485 -7.537 -29.465 1.00 0.00 H new ATOM 0 HA TYR A 73 21.074 -7.658 -27.015 1.00 0.00 H new ATOM 0 HB2 TYR A 73 20.222 -6.655 -29.145 1.00 0.00 H new ATOM 0 HB3 TYR A 73 20.167 -8.246 -29.878 1.00 0.00 H new ATOM 0 HD1 TYR A 73 18.575 -6.068 -27.313 1.00 0.00 H new ATOM 0 HD2 TYR A 73 18.267 -9.777 -29.404 1.00 0.00 H new ATOM 0 HE1 TYR A 73 16.293 -6.347 -26.487 1.00 0.00 H new ATOM 0 HE2 TYR A 73 15.966 -10.040 -28.576 1.00 0.00 H new ATOM 0 HH TYR A 73 14.342 -9.200 -27.314 1.00 0.00 H new ATOM 1183 N LYS A 74 21.553 -10.508 -28.551 1.00 0.00 N ATOM 1184 CA LYS A 74 21.403 -11.964 -28.541 1.00 0.00 C ATOM 1185 C LYS A 74 22.087 -12.512 -27.294 1.00 0.00 C ATOM 1186 O LYS A 74 21.492 -13.243 -26.509 1.00 0.00 O ATOM 1187 CB LYS A 74 22.019 -12.574 -29.837 1.00 0.00 C ATOM 1188 CG LYS A 74 21.476 -13.957 -30.236 1.00 0.00 C ATOM 1189 CD LYS A 74 22.246 -14.586 -31.425 1.00 0.00 C ATOM 1190 CE LYS A 74 22.102 -13.762 -32.720 1.00 0.00 C ATOM 1191 NZ LYS A 74 22.792 -14.385 -33.871 1.00 0.00 N ATOM 0 H LYS A 74 22.154 -10.168 -29.302 1.00 0.00 H new ATOM 0 HA LYS A 74 20.348 -12.236 -28.519 1.00 0.00 H new ATOM 0 HB2 LYS A 74 21.846 -11.883 -30.662 1.00 0.00 H new ATOM 0 HB3 LYS A 74 23.098 -12.650 -29.705 1.00 0.00 H new ATOM 0 HG2 LYS A 74 21.534 -14.626 -29.377 1.00 0.00 H new ATOM 0 HG3 LYS A 74 20.422 -13.866 -30.499 1.00 0.00 H new ATOM 0 HD2 LYS A 74 23.302 -14.670 -31.167 1.00 0.00 H new ATOM 0 HD3 LYS A 74 21.878 -15.597 -31.598 1.00 0.00 H new ATOM 0 HE2 LYS A 74 21.044 -13.644 -32.956 1.00 0.00 H new ATOM 0 HE3 LYS A 74 22.505 -12.763 -32.557 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 22.664 -13.791 -34.715 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 23.807 -14.474 -33.661 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 22.391 -15.328 -34.047 1.00 0.00 H new ATOM 1205 N ASP A 75 23.339 -12.065 -27.117 1.00 0.00 N ATOM 1206 CA ASP A 75 24.196 -12.416 -25.977 1.00 0.00 C ATOM 1207 C ASP A 75 23.605 -11.896 -24.654 1.00 0.00 C ATOM 1208 O ASP A 75 23.787 -12.516 -23.618 1.00 0.00 O ATOM 1209 CB ASP A 75 25.607 -11.830 -26.215 1.00 0.00 C ATOM 1210 CG ASP A 75 26.610 -12.110 -25.083 1.00 0.00 C ATOM 1211 OD1 ASP A 75 27.054 -13.270 -24.948 1.00 0.00 O ATOM 1212 OD2 ASP A 75 26.974 -11.172 -24.338 1.00 0.00 O ATOM 0 H ASP A 75 23.793 -11.435 -27.778 1.00 0.00 H new ATOM 0 HA ASP A 75 24.258 -13.501 -25.897 1.00 0.00 H new ATOM 0 HB2 ASP A 75 26.004 -12.237 -27.145 1.00 0.00 H new ATOM 0 HB3 ASP A 75 25.521 -10.752 -26.350 1.00 0.00 H new ATOM 1217 N PHE A 76 22.895 -10.760 -24.728 1.00 0.00 N ATOM 1218 CA PHE A 76 22.224 -10.122 -23.572 1.00 0.00 C ATOM 1219 C PHE A 76 21.107 -11.035 -23.009 1.00 0.00 C ATOM 1220 O PHE A 76 21.064 -11.339 -21.795 1.00 0.00 O ATOM 1221 CB PHE A 76 21.652 -8.749 -24.041 1.00 0.00 C ATOM 1222 CG PHE A 76 21.166 -7.800 -22.951 1.00 0.00 C ATOM 1223 CD1 PHE A 76 21.860 -7.670 -21.751 1.00 0.00 C ATOM 1224 CD2 PHE A 76 20.029 -7.011 -23.147 1.00 0.00 C ATOM 1225 CE1 PHE A 76 21.440 -6.781 -20.788 1.00 0.00 C ATOM 1226 CE2 PHE A 76 19.609 -6.122 -22.176 1.00 0.00 C ATOM 1227 CZ PHE A 76 20.313 -6.012 -20.998 1.00 0.00 C ATOM 0 H PHE A 76 22.766 -10.248 -25.601 1.00 0.00 H new ATOM 0 HA PHE A 76 22.939 -9.964 -22.764 1.00 0.00 H new ATOM 0 HB2 PHE A 76 22.423 -8.238 -24.617 1.00 0.00 H new ATOM 0 HB3 PHE A 76 20.821 -8.941 -24.720 1.00 0.00 H new ATOM 0 HD1 PHE A 76 22.738 -8.274 -21.574 1.00 0.00 H new ATOM 0 HD2 PHE A 76 19.472 -7.097 -24.068 1.00 0.00 H new ATOM 0 HE1 PHE A 76 21.994 -6.685 -19.866 1.00 0.00 H new ATOM 0 HE2 PHE A 76 18.731 -5.515 -22.341 1.00 0.00 H new ATOM 0 HZ PHE A 76 19.983 -5.322 -20.236 1.00 0.00 H new ATOM 1237 N CYS A 77 20.228 -11.482 -23.915 1.00 0.00 N ATOM 1238 CA CYS A 77 19.107 -12.370 -23.578 1.00 0.00 C ATOM 1239 C CYS A 77 19.620 -13.753 -23.112 1.00 0.00 C ATOM 1240 O CYS A 77 19.130 -14.304 -22.131 1.00 0.00 O ATOM 1241 CB CYS A 77 18.178 -12.491 -24.796 1.00 0.00 C ATOM 1242 SG CYS A 77 17.522 -10.901 -25.358 1.00 0.00 S ATOM 0 H CYS A 77 20.274 -11.238 -24.904 1.00 0.00 H new ATOM 0 HA CYS A 77 18.543 -11.946 -22.748 1.00 0.00 H new ATOM 0 HB2 CYS A 77 18.723 -12.961 -25.615 1.00 0.00 H new ATOM 0 HB3 CYS A 77 17.347 -13.151 -24.546 1.00 0.00 H new ATOM 0 HG CYS A 77 18.451 -10.247 -25.990 1.00 0.00 H new ATOM 1248 N GLU A 78 20.650 -14.280 -23.803 1.00 0.00 N ATOM 1249 CA GLU A 78 21.303 -15.564 -23.444 1.00 0.00 C ATOM 1250 C GLU A 78 22.048 -15.447 -22.092 1.00 0.00 C ATOM 1251 O GLU A 78 22.158 -16.428 -21.349 1.00 0.00 O ATOM 1252 CB GLU A 78 22.285 -15.988 -24.569 1.00 0.00 C ATOM 1253 CG GLU A 78 21.627 -16.277 -25.937 1.00 0.00 C ATOM 1254 CD GLU A 78 20.861 -17.611 -25.996 1.00 0.00 C ATOM 1255 OE1 GLU A 78 19.646 -17.639 -25.697 1.00 0.00 O ATOM 1256 OE2 GLU A 78 21.471 -18.635 -26.368 1.00 0.00 O ATOM 0 H GLU A 78 21.055 -13.832 -24.625 1.00 0.00 H new ATOM 0 HA GLU A 78 20.532 -16.327 -23.337 1.00 0.00 H new ATOM 0 HB2 GLU A 78 23.027 -15.200 -24.699 1.00 0.00 H new ATOM 0 HB3 GLU A 78 22.821 -16.880 -24.245 1.00 0.00 H new ATOM 0 HG2 GLU A 78 20.940 -15.465 -26.177 1.00 0.00 H new ATOM 0 HG3 GLU A 78 22.399 -16.279 -26.706 1.00 0.00 H new ATOM 1263 N HIS A 79 22.540 -14.224 -21.793 1.00 0.00 N ATOM 1264 CA HIS A 79 23.249 -13.910 -20.526 1.00 0.00 C ATOM 1265 C HIS A 79 22.278 -13.950 -19.350 1.00 0.00 C ATOM 1266 O HIS A 79 22.672 -14.281 -18.228 1.00 0.00 O ATOM 1267 CB HIS A 79 23.934 -12.520 -20.596 1.00 0.00 C ATOM 1268 CG HIS A 79 24.761 -12.138 -19.390 1.00 0.00 C ATOM 1269 ND1 HIS A 79 24.478 -11.048 -18.595 1.00 0.00 N ATOM 1270 CD2 HIS A 79 25.880 -12.696 -18.864 1.00 0.00 C ATOM 1271 CE1 HIS A 79 25.391 -10.944 -17.648 1.00 0.00 C ATOM 1272 NE2 HIS A 79 26.250 -11.934 -17.781 1.00 0.00 N ATOM 0 H HIS A 79 22.458 -13.425 -22.421 1.00 0.00 H new ATOM 0 HA HIS A 79 24.021 -14.666 -20.380 1.00 0.00 H new ATOM 0 HB2 HIS A 79 24.576 -12.495 -21.477 1.00 0.00 H new ATOM 0 HB3 HIS A 79 23.164 -11.762 -20.741 1.00 0.00 H new ATOM 0 HD2 HIS A 79 26.387 -13.577 -19.229 1.00 0.00 H new ATOM 0 HE1 HIS A 79 25.428 -10.175 -16.890 1.00 0.00 H new ATOM 0 HE2 HIS A 79 27.056 -12.107 -17.180 1.00 0.00 H new ATOM 1281 N GLY A 80 21.005 -13.607 -19.613 1.00 0.00 N ATOM 1282 CA GLY A 80 19.986 -13.662 -18.565 1.00 0.00 C ATOM 1283 C GLY A 80 19.640 -12.300 -18.017 1.00 0.00 C ATOM 1284 O GLY A 80 19.601 -12.112 -16.791 1.00 0.00 O ATOM 0 H GLY A 80 20.668 -13.296 -20.524 1.00 0.00 H new ATOM 0 HA2 GLY A 80 19.085 -14.128 -18.964 1.00 0.00 H new ATOM 0 HA3 GLY A 80 20.340 -14.297 -17.753 1.00 0.00 H new ATOM 1288 N THR A 81 19.470 -11.345 -18.948 1.00 0.00 N ATOM 1289 CA THR A 81 19.151 -9.931 -18.659 1.00 0.00 C ATOM 1290 C THR A 81 18.055 -9.743 -17.582 1.00 0.00 C ATOM 1291 O THR A 81 17.140 -10.570 -17.443 1.00 0.00 O ATOM 1292 CB THR A 81 18.714 -9.174 -19.966 1.00 0.00 C ATOM 1293 OG1 THR A 81 18.257 -7.843 -19.649 1.00 0.00 O ATOM 1294 CG2 THR A 81 17.617 -9.912 -20.745 1.00 0.00 C ATOM 0 H THR A 81 19.552 -11.537 -19.946 1.00 0.00 H new ATOM 0 HA THR A 81 20.074 -9.507 -18.262 1.00 0.00 H new ATOM 0 HB THR A 81 19.597 -9.127 -20.603 1.00 0.00 H new ATOM 0 HG1 THR A 81 18.808 -7.186 -20.123 1.00 0.00 H new ATOM 0 HG21 THR A 81 17.357 -9.341 -21.637 1.00 0.00 H new ATOM 0 HG22 THR A 81 17.979 -10.898 -21.038 1.00 0.00 H new ATOM 0 HG23 THR A 81 16.735 -10.022 -20.115 1.00 0.00 H new ATOM 1302 N LYS A 82 18.154 -8.606 -16.860 1.00 0.00 N ATOM 1303 CA LYS A 82 17.207 -8.205 -15.795 1.00 0.00 C ATOM 1304 C LYS A 82 15.780 -7.940 -16.347 1.00 0.00 C ATOM 1305 O LYS A 82 14.828 -7.776 -15.575 1.00 0.00 O ATOM 1306 CB LYS A 82 17.760 -6.943 -15.071 1.00 0.00 C ATOM 1307 CG LYS A 82 17.876 -5.686 -15.972 1.00 0.00 C ATOM 1308 CD LYS A 82 18.640 -4.512 -15.310 1.00 0.00 C ATOM 1309 CE LYS A 82 20.139 -4.829 -15.071 1.00 0.00 C ATOM 1310 NZ LYS A 82 20.933 -3.611 -14.760 1.00 0.00 N ATOM 0 H LYS A 82 18.905 -7.930 -17.002 1.00 0.00 H new ATOM 0 HA LYS A 82 17.119 -9.030 -15.088 1.00 0.00 H new ATOM 0 HB2 LYS A 82 17.112 -6.711 -14.226 1.00 0.00 H new ATOM 0 HB3 LYS A 82 18.744 -7.175 -14.664 1.00 0.00 H new ATOM 0 HG2 LYS A 82 18.381 -5.960 -16.898 1.00 0.00 H new ATOM 0 HG3 LYS A 82 16.875 -5.350 -16.242 1.00 0.00 H new ATOM 0 HD2 LYS A 82 18.557 -3.628 -15.942 1.00 0.00 H new ATOM 0 HD3 LYS A 82 18.169 -4.269 -14.358 1.00 0.00 H new ATOM 0 HE2 LYS A 82 20.231 -5.539 -14.249 1.00 0.00 H new ATOM 0 HE3 LYS A 82 20.551 -5.312 -15.957 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 21.947 -3.840 -14.792 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 20.723 -2.871 -15.460 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 20.686 -3.269 -13.810 1.00 0.00 H new ATOM 1324 N SER A 83 15.668 -7.887 -17.686 1.00 0.00 N ATOM 1325 CA SER A 83 14.391 -7.774 -18.413 1.00 0.00 C ATOM 1326 C SER A 83 13.539 -9.065 -18.298 1.00 0.00 C ATOM 1327 O SER A 83 12.356 -9.070 -18.663 1.00 0.00 O ATOM 1328 CB SER A 83 14.696 -7.475 -19.894 1.00 0.00 C ATOM 1329 OG SER A 83 15.644 -6.430 -20.014 1.00 0.00 O ATOM 0 H SER A 83 16.478 -7.922 -18.305 1.00 0.00 H new ATOM 0 HA SER A 83 13.809 -6.966 -17.969 1.00 0.00 H new ATOM 0 HB2 SER A 83 15.076 -8.374 -20.380 1.00 0.00 H new ATOM 0 HB3 SER A 83 13.777 -7.198 -20.410 1.00 0.00 H new ATOM 0 HG SER A 83 16.548 -6.797 -19.922 1.00 0.00 H new ATOM 1335 N GLY A 84 14.168 -10.162 -17.819 1.00 0.00 N ATOM 1336 CA GLY A 84 13.488 -11.447 -17.621 1.00 0.00 C ATOM 1337 C GLY A 84 13.687 -12.425 -18.783 1.00 0.00 C ATOM 1338 O GLY A 84 13.204 -13.561 -18.727 1.00 0.00 O ATOM 0 H GLY A 84 15.155 -10.174 -17.562 1.00 0.00 H new ATOM 0 HA2 GLY A 84 13.854 -11.906 -16.703 1.00 0.00 H new ATOM 0 HA3 GLY A 84 12.421 -11.268 -17.485 1.00 0.00 H new ATOM 1342 N LEU A 85 14.406 -11.983 -19.831 1.00 0.00 N ATOM 1343 CA LEU A 85 14.699 -12.814 -21.012 1.00 0.00 C ATOM 1344 C LEU A 85 15.957 -13.664 -20.750 1.00 0.00 C ATOM 1345 O LEU A 85 17.049 -13.117 -20.555 1.00 0.00 O ATOM 1346 CB LEU A 85 14.898 -11.917 -22.272 1.00 0.00 C ATOM 1347 CG LEU A 85 13.696 -10.988 -22.651 1.00 0.00 C ATOM 1348 CD1 LEU A 85 14.038 -10.083 -23.862 1.00 0.00 C ATOM 1349 CD2 LEU A 85 12.413 -11.816 -22.907 1.00 0.00 C ATOM 0 H LEU A 85 14.799 -11.043 -19.883 1.00 0.00 H new ATOM 0 HA LEU A 85 13.855 -13.479 -21.197 1.00 0.00 H new ATOM 0 HB2 LEU A 85 15.778 -11.293 -22.114 1.00 0.00 H new ATOM 0 HB3 LEU A 85 15.114 -12.563 -23.123 1.00 0.00 H new ATOM 0 HG LEU A 85 13.504 -10.332 -21.802 1.00 0.00 H new ATOM 0 HD11 LEU A 85 13.181 -9.452 -24.098 1.00 0.00 H new ATOM 0 HD12 LEU A 85 14.895 -9.456 -23.617 1.00 0.00 H new ATOM 0 HD13 LEU A 85 14.279 -10.705 -24.724 1.00 0.00 H new ATOM 0 HD21 LEU A 85 11.594 -11.146 -23.168 1.00 0.00 H new ATOM 0 HD22 LEU A 85 12.587 -12.513 -23.727 1.00 0.00 H new ATOM 0 HD23 LEU A 85 12.153 -12.373 -22.006 1.00 0.00 H new ATOM 1361 N ASN A 86 15.782 -14.999 -20.705 1.00 0.00 N ATOM 1362 CA ASN A 86 16.898 -15.956 -20.610 1.00 0.00 C ATOM 1363 C ASN A 86 16.506 -17.311 -21.213 1.00 0.00 C ATOM 1364 O ASN A 86 15.472 -17.879 -20.853 1.00 0.00 O ATOM 1365 CB ASN A 86 17.352 -16.162 -19.144 1.00 0.00 C ATOM 1366 CG ASN A 86 18.615 -17.030 -19.007 1.00 0.00 C ATOM 1367 OD1 ASN A 86 18.736 -17.824 -18.072 1.00 0.00 O ATOM 1368 ND2 ASN A 86 19.584 -16.852 -19.908 1.00 0.00 N ATOM 0 H ASN A 86 14.864 -15.442 -20.734 1.00 0.00 H new ATOM 0 HA ASN A 86 17.729 -15.533 -21.175 1.00 0.00 H new ATOM 0 HB2 ASN A 86 17.539 -15.189 -18.690 1.00 0.00 H new ATOM 0 HB3 ASN A 86 16.540 -16.625 -18.583 1.00 0.00 H new ATOM 0 HD21 ASN A 86 20.453 -17.380 -19.833 1.00 0.00 H new ATOM 0 HD22 ASN A 86 19.455 -16.188 -20.671 1.00 0.00 H new ATOM 1375 N GLN A 87 17.345 -17.807 -22.136 1.00 0.00 N ATOM 1376 CA GLN A 87 17.251 -19.179 -22.659 1.00 0.00 C ATOM 1377 C GLN A 87 18.644 -19.824 -22.522 1.00 0.00 C ATOM 1378 O GLN A 87 19.626 -19.314 -23.077 1.00 0.00 O ATOM 1379 CB GLN A 87 16.769 -19.184 -24.141 1.00 0.00 C ATOM 1380 CG GLN A 87 16.405 -20.587 -24.683 1.00 0.00 C ATOM 1381 CD GLN A 87 15.155 -21.195 -24.025 1.00 0.00 C ATOM 1382 OE1 GLN A 87 14.216 -20.484 -23.659 1.00 0.00 O ATOM 1383 NE2 GLN A 87 15.140 -22.511 -23.857 1.00 0.00 N ATOM 0 H GLN A 87 18.109 -17.267 -22.541 1.00 0.00 H new ATOM 0 HA GLN A 87 16.515 -19.750 -22.093 1.00 0.00 H new ATOM 0 HB2 GLN A 87 15.898 -18.535 -24.231 1.00 0.00 H new ATOM 0 HB3 GLN A 87 17.552 -18.756 -24.768 1.00 0.00 H new ATOM 0 HG2 GLN A 87 16.244 -20.521 -25.759 1.00 0.00 H new ATOM 0 HG3 GLN A 87 17.250 -21.258 -24.528 1.00 0.00 H new ATOM 0 HE21 GLN A 87 15.931 -23.074 -24.170 1.00 0.00 H new ATOM 0 HE22 GLN A 87 14.338 -22.960 -23.415 1.00 0.00 H new ATOM 1392 N GLY A 88 18.721 -20.922 -21.751 1.00 0.00 N ATOM 1393 CA GLY A 88 19.985 -21.609 -21.479 1.00 0.00 C ATOM 1394 C GLY A 88 19.832 -22.585 -20.309 1.00 0.00 C ATOM 1395 O GLY A 88 20.068 -22.188 -19.149 1.00 0.00 O ATOM 1396 OXT GLY A 88 19.430 -23.739 -20.541 1.00 0.00 O ATOM 0 H GLY A 88 17.912 -21.352 -21.304 1.00 0.00 H new ATOM 0 HA2 GLY A 88 20.310 -22.149 -22.369 1.00 0.00 H new ATOM 0 HA3 GLY A 88 20.760 -20.877 -21.249 1.00 0.00 H new TER 1400 GLY A 88