USER MOD reduce.3.24.130724 H: found=0, std=0, add=633, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 629 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 26 TYR OH : rot 22:sc= 0.481 USER MOD Set 1.2: A 49 SER OG : rot 91:sc= 1.64 USER MOD Set 2.1: A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 33 TYR OH : rot 180:sc= 0 USER MOD Set 3.1: A 14 SER OG : rot -119:sc= 1.19 USER MOD Set 3.2: A 16 SER OG : rot 180:sc= 1.05 USER MOD Single : A 1 SER N :NH3+ -113:sc= 0.107 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 3 LYS NZ :NH3+ 171:sc= 1.2 (180deg=1.14) USER MOD Single : A 5 THR OG1 : rot 93:sc= 0.663 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 TYR OH : rot 5:sc= 0.861 USER MOD Single : A 18 ASN : amide:sc= -0.293! C(o=-0.29!,f=-9.7!) USER MOD Single : A 20 GLN : amide:sc= 0 K(o=0,f=-0.96) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 177:sc= 1.15 (180deg=1.14) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 HIS : no HD1:sc= 0.677 K(o=0.68,f=-6.4!) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 THR OG1 : rot 102:sc= 1.32 USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ -178:sc= 1.22 (180deg=1.14) USER MOD Single : A 46 LYS NZ :NH3+ -165:sc= 1.17 (180deg=0.799) USER MOD Single : A 56 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 GLN : amide:sc= -0.0396 X(o=-0.04,f=-0.04) USER MOD Single : A 60 LYS NZ :NH3+ -170:sc= 1.09 (180deg=1.01) USER MOD Single : A 64 TYR OH : rot -37:sc= 0.3 USER MOD Single : A 66 GLN : amide:sc= 0 K(o=0,f=-0.98) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot 123:sc= 0.703 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -6.883 -15.642 -6.866 1.00 0.00 N ATOM 2 CA SER A 1 -5.437 -15.536 -6.723 1.00 0.00 C ATOM 3 C SER A 1 -4.983 -14.083 -6.784 1.00 0.00 C ATOM 4 O SER A 1 -5.798 -13.174 -6.939 1.00 0.00 O ATOM 5 CB SER A 1 -4.745 -16.335 -7.809 1.00 0.00 C ATOM 6 OG SER A 1 -4.928 -15.742 -9.065 1.00 0.00 O ATOM 0 H1 SER A 1 -7.296 -15.981 -5.974 1.00 0.00 H new ATOM 0 H2 SER A 1 -7.278 -14.708 -7.098 1.00 0.00 H new ATOM 0 H3 SER A 1 -7.108 -16.312 -7.629 1.00 0.00 H new ATOM 0 HA SER A 1 -5.166 -15.940 -5.748 1.00 0.00 H new ATOM 0 HB2 SER A 1 -3.680 -16.407 -7.589 1.00 0.00 H new ATOM 0 HB3 SER A 1 -5.137 -17.352 -7.823 1.00 0.00 H new ATOM 0 HG SER A 1 -4.471 -16.275 -9.748 1.00 0.00 H new ATOM 11 N VAL A 2 -3.678 -13.871 -6.659 1.00 0.00 N ATOM 12 CA VAL A 2 -3.111 -12.526 -6.698 1.00 0.00 C ATOM 13 C VAL A 2 -2.313 -12.302 -7.976 1.00 0.00 C ATOM 14 O VAL A 2 -1.261 -12.910 -8.176 1.00 0.00 O ATOM 15 CB VAL A 2 -2.200 -12.294 -5.479 1.00 0.00 C ATOM 16 CG1 VAL A 2 -1.594 -10.900 -5.526 1.00 0.00 C ATOM 17 CG2 VAL A 2 -2.992 -12.495 -4.196 1.00 0.00 C ATOM 0 H VAL A 2 -2.991 -14.614 -6.530 1.00 0.00 H new ATOM 0 HA VAL A 2 -3.938 -11.817 -6.675 1.00 0.00 H new ATOM 0 HB VAL A 2 -1.385 -13.017 -5.503 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -0.953 -10.753 -4.657 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -1.003 -10.790 -6.436 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -2.391 -10.156 -5.519 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -2.342 -12.329 -3.337 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -3.821 -11.788 -4.165 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -3.382 -13.512 -4.165 1.00 0.00 H new ATOM 27 N LYS A 3 -2.819 -11.428 -8.839 1.00 0.00 N ATOM 28 CA LYS A 3 -2.145 -11.112 -10.093 1.00 0.00 C ATOM 29 C LYS A 3 -1.055 -10.070 -9.886 1.00 0.00 C ATOM 30 O LYS A 3 0.123 -10.405 -9.765 1.00 0.00 O ATOM 31 CB LYS A 3 -3.153 -10.619 -11.132 1.00 0.00 C ATOM 32 CG LYS A 3 -4.086 -11.698 -11.666 1.00 0.00 C ATOM 33 CD LYS A 3 -5.071 -11.128 -12.677 1.00 0.00 C ATOM 34 CE LYS A 3 -5.979 -12.213 -13.238 1.00 0.00 C ATOM 35 NZ LYS A 3 -7.038 -11.649 -14.118 1.00 0.00 N ATOM 0 H LYS A 3 -3.694 -10.925 -8.693 1.00 0.00 H new ATOM 0 HA LYS A 3 -1.677 -12.026 -10.459 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -3.753 -9.824 -10.689 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -2.609 -10.180 -11.968 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -3.500 -12.490 -12.133 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -4.632 -12.151 -10.839 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -5.675 -10.355 -12.203 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -4.525 -10.651 -13.491 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -5.382 -12.930 -13.802 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -6.442 -12.759 -12.417 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -7.538 -12.423 -14.599 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -7.713 -11.105 -13.544 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -6.604 -11.024 -14.827 1.00 0.00 H new ATOM 49 N GLU A 4 -1.454 -8.803 -9.844 1.00 0.00 N ATOM 50 CA GLU A 4 -0.508 -7.706 -9.682 1.00 0.00 C ATOM 51 C GLU A 4 -0.080 -7.558 -8.226 1.00 0.00 C ATOM 52 O GLU A 4 -0.883 -7.739 -7.312 1.00 0.00 O ATOM 53 CB GLU A 4 -1.121 -6.395 -10.177 1.00 0.00 C ATOM 54 CG GLU A 4 -1.390 -6.354 -11.675 1.00 0.00 C ATOM 55 CD GLU A 4 -1.959 -5.040 -12.132 1.00 0.00 C ATOM 56 OE1 GLU A 4 -2.170 -4.186 -11.304 1.00 0.00 O ATOM 57 OE2 GLU A 4 -2.186 -4.890 -13.310 1.00 0.00 O ATOM 0 H GLU A 4 -2.428 -8.511 -9.920 1.00 0.00 H new ATOM 0 HA GLU A 4 0.374 -7.937 -10.279 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -2.058 -6.223 -9.647 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -0.452 -5.574 -9.917 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -0.461 -6.548 -12.211 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -2.082 -7.154 -11.937 1.00 0.00 H new ATOM 64 N THR A 5 1.191 -7.232 -8.020 1.00 0.00 N ATOM 65 CA THR A 5 1.731 -7.065 -6.675 1.00 0.00 C ATOM 66 C THR A 5 2.238 -5.645 -6.457 1.00 0.00 C ATOM 67 O THR A 5 2.832 -5.340 -5.424 1.00 0.00 O ATOM 68 CB THR A 5 2.867 -8.066 -6.405 1.00 0.00 C ATOM 69 OG1 THR A 5 3.936 -7.842 -7.334 1.00 0.00 O ATOM 70 CG2 THR A 5 2.365 -9.495 -6.553 1.00 0.00 C ATOM 0 H THR A 5 1.868 -7.078 -8.768 1.00 0.00 H new ATOM 0 HA THR A 5 0.918 -7.258 -5.975 1.00 0.00 H new ATOM 0 HB THR A 5 3.225 -7.920 -5.386 1.00 0.00 H new ATOM 0 HG1 THR A 5 4.586 -7.223 -6.941 1.00 0.00 H new ATOM 0 HG21 THR A 5 3.182 -10.190 -6.358 1.00 0.00 H new ATOM 0 HG22 THR A 5 1.560 -9.673 -5.840 1.00 0.00 H new ATOM 0 HG23 THR A 5 1.993 -9.647 -7.566 1.00 0.00 H new ATOM 78 N LYS A 6 2.000 -4.779 -7.436 1.00 0.00 N ATOM 79 CA LYS A 6 2.558 -3.432 -7.423 1.00 0.00 C ATOM 80 C LYS A 6 2.276 -2.734 -6.099 1.00 0.00 C ATOM 81 O LYS A 6 3.189 -2.225 -5.448 1.00 0.00 O ATOM 82 CB LYS A 6 1.998 -2.608 -8.582 1.00 0.00 C ATOM 83 CG LYS A 6 2.530 -1.184 -8.656 1.00 0.00 C ATOM 84 CD LYS A 6 1.958 -0.441 -9.855 1.00 0.00 C ATOM 85 CE LYS A 6 2.455 0.996 -9.906 1.00 0.00 C ATOM 86 NZ LYS A 6 1.940 1.722 -11.100 1.00 0.00 N ATOM 0 H LYS A 6 1.423 -4.987 -8.251 1.00 0.00 H new ATOM 0 HA LYS A 6 3.638 -3.517 -7.541 1.00 0.00 H new ATOM 0 HB2 LYS A 6 2.227 -3.118 -9.518 1.00 0.00 H new ATOM 0 HB3 LYS A 6 0.912 -2.573 -8.496 1.00 0.00 H new ATOM 0 HG2 LYS A 6 2.276 -0.651 -7.740 1.00 0.00 H new ATOM 0 HG3 LYS A 6 3.618 -1.203 -8.722 1.00 0.00 H new ATOM 0 HD2 LYS A 6 2.239 -0.958 -10.773 1.00 0.00 H new ATOM 0 HD3 LYS A 6 0.869 -0.450 -9.805 1.00 0.00 H new ATOM 0 HE2 LYS A 6 2.145 1.519 -9.002 1.00 0.00 H new ATOM 0 HE3 LYS A 6 3.545 1.002 -9.920 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 2.302 2.697 -11.096 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 2.257 1.238 -11.964 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 0.900 1.739 -11.074 1.00 0.00 H new ATOM 100 N LEU A 7 1.008 -2.712 -5.705 1.00 0.00 N ATOM 101 CA LEU A 7 0.588 -1.984 -4.513 1.00 0.00 C ATOM 102 C LEU A 7 1.118 -2.648 -3.249 1.00 0.00 C ATOM 103 O LEU A 7 1.440 -1.972 -2.271 1.00 0.00 O ATOM 104 CB LEU A 7 -0.943 -1.904 -4.454 1.00 0.00 C ATOM 105 CG LEU A 7 -1.614 -1.139 -5.600 1.00 0.00 C ATOM 106 CD1 LEU A 7 -3.117 -1.085 -5.363 1.00 0.00 C ATOM 107 CD2 LEU A 7 -1.025 0.262 -5.689 1.00 0.00 C ATOM 0 H LEU A 7 0.252 -3.191 -6.194 1.00 0.00 H new ATOM 0 HA LEU A 7 1.001 -0.977 -4.571 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -1.341 -2.919 -4.437 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -1.228 -1.434 -3.513 1.00 0.00 H new ATOM 0 HG LEU A 7 -1.432 -1.650 -6.546 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -3.595 -0.541 -6.178 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -3.515 -2.099 -5.321 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -3.319 -0.577 -4.420 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -1.502 0.806 -6.504 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -1.197 0.789 -4.751 1.00 0.00 H new ATOM 0 HD23 LEU A 7 0.047 0.195 -5.876 1.00 0.00 H new ATOM 119 N TYR A 8 1.206 -3.973 -3.273 1.00 0.00 N ATOM 120 CA TYR A 8 1.763 -4.725 -2.155 1.00 0.00 C ATOM 121 C TYR A 8 3.261 -4.485 -2.022 1.00 0.00 C ATOM 122 O TYR A 8 3.799 -4.469 -0.914 1.00 0.00 O ATOM 123 CB TYR A 8 1.477 -6.220 -2.320 1.00 0.00 C ATOM 124 CG TYR A 8 0.006 -6.568 -2.275 1.00 0.00 C ATOM 125 CD1 TYR A 8 -0.644 -6.986 -3.427 1.00 0.00 C ATOM 126 CD2 TYR A 8 -0.693 -6.471 -1.081 1.00 0.00 C ATOM 127 CE1 TYR A 8 -1.987 -7.305 -3.386 1.00 0.00 C ATOM 128 CE2 TYR A 8 -2.037 -6.790 -1.040 1.00 0.00 C ATOM 129 CZ TYR A 8 -2.683 -7.206 -2.186 1.00 0.00 C ATOM 130 OH TYR A 8 -4.021 -7.524 -2.144 1.00 0.00 O ATOM 0 H TYR A 8 0.898 -4.549 -4.056 1.00 0.00 H new ATOM 0 HA TYR A 8 1.282 -4.374 -1.242 1.00 0.00 H new ATOM 0 HB2 TYR A 8 1.892 -6.557 -3.270 1.00 0.00 H new ATOM 0 HB3 TYR A 8 1.995 -6.769 -1.533 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -0.099 -7.062 -4.357 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -0.187 -6.146 -0.184 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -2.495 -7.630 -4.282 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -2.582 -6.714 -0.111 1.00 0.00 H new ATOM 0 HH TYR A 8 -4.301 -7.877 -3.014 1.00 0.00 H new ATOM 140 N ASP A 9 3.930 -4.300 -3.154 1.00 0.00 N ATOM 141 CA ASP A 9 5.364 -4.039 -3.164 1.00 0.00 C ATOM 142 C ASP A 9 5.671 -2.625 -2.690 1.00 0.00 C ATOM 143 O ASP A 9 6.692 -2.382 -2.046 1.00 0.00 O ATOM 144 CB ASP A 9 5.937 -4.250 -4.567 1.00 0.00 C ATOM 145 CG ASP A 9 5.924 -5.710 -5.000 1.00 0.00 C ATOM 146 OD1 ASP A 9 5.974 -6.562 -4.146 1.00 0.00 O ATOM 147 OD2 ASP A 9 5.863 -5.957 -6.181 1.00 0.00 O ATOM 0 H ASP A 9 3.501 -4.326 -4.079 1.00 0.00 H new ATOM 0 HA ASP A 9 5.833 -4.742 -2.476 1.00 0.00 H new ATOM 0 HB2 ASP A 9 5.363 -3.660 -5.281 1.00 0.00 H new ATOM 0 HB3 ASP A 9 6.961 -3.877 -4.596 1.00 0.00 H new ATOM 152 N LEU A 10 4.781 -1.692 -3.012 1.00 0.00 N ATOM 153 CA LEU A 10 4.890 -0.325 -2.518 1.00 0.00 C ATOM 154 C LEU A 10 4.801 -0.279 -0.997 1.00 0.00 C ATOM 155 O LEU A 10 5.549 0.449 -0.344 1.00 0.00 O ATOM 156 CB LEU A 10 3.788 0.549 -3.128 1.00 0.00 C ATOM 157 CG LEU A 10 3.941 0.869 -4.620 1.00 0.00 C ATOM 158 CD1 LEU A 10 2.682 1.562 -5.123 1.00 0.00 C ATOM 159 CD2 LEU A 10 5.168 1.745 -4.829 1.00 0.00 C ATOM 0 H LEU A 10 3.975 -1.859 -3.614 1.00 0.00 H new ATOM 0 HA LEU A 10 5.865 0.061 -2.817 1.00 0.00 H new ATOM 0 HB2 LEU A 10 2.830 0.050 -2.979 1.00 0.00 H new ATOM 0 HB3 LEU A 10 3.748 1.488 -2.576 1.00 0.00 H new ATOM 0 HG LEU A 10 4.076 -0.052 -5.186 1.00 0.00 H new ATOM 0 HD11 LEU A 10 2.791 1.789 -6.183 1.00 0.00 H new ATOM 0 HD12 LEU A 10 1.823 0.906 -4.979 1.00 0.00 H new ATOM 0 HD13 LEU A 10 2.529 2.487 -4.567 1.00 0.00 H new ATOM 0 HD21 LEU A 10 5.276 1.972 -5.890 1.00 0.00 H new ATOM 0 HD22 LEU A 10 5.052 2.673 -4.269 1.00 0.00 H new ATOM 0 HD23 LEU A 10 6.055 1.218 -4.478 1.00 0.00 H new ATOM 171 N LEU A 11 3.882 -1.061 -0.441 1.00 0.00 N ATOM 172 CA LEU A 11 3.713 -1.132 1.006 1.00 0.00 C ATOM 173 C LEU A 11 4.778 -2.015 1.642 1.00 0.00 C ATOM 174 O LEU A 11 5.163 -1.807 2.793 1.00 0.00 O ATOM 175 CB LEU A 11 2.318 -1.672 1.349 1.00 0.00 C ATOM 176 CG LEU A 11 1.138 -0.784 0.934 1.00 0.00 C ATOM 177 CD1 LEU A 11 -0.169 -1.463 1.316 1.00 0.00 C ATOM 178 CD2 LEU A 11 1.265 0.575 1.607 1.00 0.00 C ATOM 0 H LEU A 11 3.243 -1.654 -0.970 1.00 0.00 H new ATOM 0 HA LEU A 11 3.820 -0.124 1.407 1.00 0.00 H new ATOM 0 HB2 LEU A 11 2.199 -2.646 0.875 1.00 0.00 H new ATOM 0 HB3 LEU A 11 2.266 -1.833 2.426 1.00 0.00 H new ATOM 0 HG LEU A 11 1.145 -0.636 -0.146 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -1.007 -0.831 1.021 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -0.242 -2.424 0.807 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -0.196 -1.621 2.394 1.00 0.00 H new ATOM 0 HD21 LEU A 11 0.427 1.207 1.313 1.00 0.00 H new ATOM 0 HD22 LEU A 11 1.260 0.447 2.689 1.00 0.00 H new ATOM 0 HD23 LEU A 11 2.199 1.046 1.302 1.00 0.00 H new ATOM 190 N GLY A 12 5.250 -3.001 0.888 1.00 0.00 N ATOM 191 CA GLY A 12 6.271 -3.919 1.378 1.00 0.00 C ATOM 192 C GLY A 12 5.659 -5.005 2.254 1.00 0.00 C ATOM 193 O GLY A 12 6.202 -5.346 3.306 1.00 0.00 O ATOM 0 H GLY A 12 4.941 -3.185 -0.067 1.00 0.00 H new ATOM 0 HA2 GLY A 12 6.788 -4.377 0.534 1.00 0.00 H new ATOM 0 HA3 GLY A 12 7.018 -3.366 1.948 1.00 0.00 H new ATOM 197 N VAL A 13 4.527 -5.544 1.814 1.00 0.00 N ATOM 198 CA VAL A 13 3.778 -6.507 2.614 1.00 0.00 C ATOM 199 C VAL A 13 3.174 -7.597 1.737 1.00 0.00 C ATOM 200 O VAL A 13 2.720 -7.332 0.624 1.00 0.00 O ATOM 201 CB VAL A 13 2.654 -5.796 3.390 1.00 0.00 C ATOM 202 CG1 VAL A 13 1.683 -5.125 2.430 1.00 0.00 C ATOM 203 CG2 VAL A 13 1.929 -6.794 4.280 1.00 0.00 C ATOM 0 H VAL A 13 4.108 -5.331 0.909 1.00 0.00 H new ATOM 0 HA VAL A 13 4.473 -6.968 3.316 1.00 0.00 H new ATOM 0 HB VAL A 13 3.094 -5.022 4.019 1.00 0.00 H new ATOM 0 HG11 VAL A 13 0.896 -4.628 2.997 1.00 0.00 H new ATOM 0 HG12 VAL A 13 2.216 -4.389 1.828 1.00 0.00 H new ATOM 0 HG13 VAL A 13 1.240 -5.876 1.776 1.00 0.00 H new ATOM 0 HG21 VAL A 13 1.135 -6.285 4.826 1.00 0.00 H new ATOM 0 HG22 VAL A 13 1.497 -7.584 3.665 1.00 0.00 H new ATOM 0 HG23 VAL A 13 2.634 -7.230 4.988 1.00 0.00 H new ATOM 213 N SER A 14 3.171 -8.824 2.246 1.00 0.00 N ATOM 214 CA SER A 14 2.620 -9.957 1.512 1.00 0.00 C ATOM 215 C SER A 14 1.141 -9.751 1.210 1.00 0.00 C ATOM 216 O SER A 14 0.399 -9.212 2.032 1.00 0.00 O ATOM 217 CB SER A 14 2.809 -11.235 2.306 1.00 0.00 C ATOM 218 OG SER A 14 2.163 -12.312 1.684 1.00 0.00 O ATOM 0 H SER A 14 3.545 -9.060 3.165 1.00 0.00 H new ATOM 0 HA SER A 14 3.155 -10.036 0.566 1.00 0.00 H new ATOM 0 HB2 SER A 14 3.873 -11.452 2.405 1.00 0.00 H new ATOM 0 HB3 SER A 14 2.415 -11.103 3.314 1.00 0.00 H new ATOM 0 HG SER A 14 1.475 -12.671 2.283 1.00 0.00 H new ATOM 224 N PRO A 15 0.718 -10.182 0.027 1.00 0.00 N ATOM 225 CA PRO A 15 -0.675 -10.052 -0.384 1.00 0.00 C ATOM 226 C PRO A 15 -1.564 -11.034 0.367 1.00 0.00 C ATOM 227 O PRO A 15 -2.791 -10.947 0.307 1.00 0.00 O ATOM 228 CB PRO A 15 -0.625 -10.366 -1.882 1.00 0.00 C ATOM 229 CG PRO A 15 0.537 -11.290 -2.022 1.00 0.00 C ATOM 230 CD PRO A 15 1.553 -10.765 -1.042 1.00 0.00 C ATOM 0 HA PRO A 15 -1.098 -9.070 -0.172 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -1.549 -10.833 -2.222 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -0.488 -9.461 -2.474 1.00 0.00 H new ATOM 0 HG2 PRO A 15 0.257 -12.318 -1.792 1.00 0.00 H new ATOM 0 HG3 PRO A 15 0.927 -11.286 -3.040 1.00 0.00 H new ATOM 0 HD2 PRO A 15 2.196 -11.560 -0.663 1.00 0.00 H new ATOM 0 HD3 PRO A 15 2.204 -10.019 -1.497 1.00 0.00 H new ATOM 238 N SER A 16 -0.939 -11.970 1.074 1.00 0.00 N ATOM 239 CA SER A 16 -1.669 -12.894 1.935 1.00 0.00 C ATOM 240 C SER A 16 -2.137 -12.207 3.210 1.00 0.00 C ATOM 241 O SER A 16 -2.970 -12.741 3.944 1.00 0.00 O ATOM 242 CB SER A 16 -0.793 -14.083 2.281 1.00 0.00 C ATOM 243 OG SER A 16 0.276 -13.697 3.102 1.00 0.00 O ATOM 0 H SER A 16 0.071 -12.109 1.068 1.00 0.00 H new ATOM 0 HA SER A 16 -2.549 -13.238 1.392 1.00 0.00 H new ATOM 0 HB2 SER A 16 -1.389 -14.843 2.787 1.00 0.00 H new ATOM 0 HB3 SER A 16 -0.409 -14.535 1.366 1.00 0.00 H new ATOM 0 HG SER A 16 0.826 -14.480 3.313 1.00 0.00 H new ATOM 249 N ALA A 17 -1.596 -11.022 3.470 1.00 0.00 N ATOM 250 CA ALA A 17 -1.984 -10.243 4.639 1.00 0.00 C ATOM 251 C ALA A 17 -3.385 -9.666 4.477 1.00 0.00 C ATOM 252 O ALA A 17 -3.798 -9.314 3.373 1.00 0.00 O ATOM 253 CB ALA A 17 -0.980 -9.128 4.891 1.00 0.00 C ATOM 0 H ALA A 17 -0.886 -10.580 2.886 1.00 0.00 H new ATOM 0 HA ALA A 17 -1.992 -10.912 5.500 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -1.284 -8.556 5.767 1.00 0.00 H new ATOM 0 HB2 ALA A 17 0.006 -9.559 5.063 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -0.942 -8.470 4.023 1.00 0.00 H new ATOM 259 N ASN A 18 -4.113 -9.573 5.586 1.00 0.00 N ATOM 260 CA ASN A 18 -5.444 -8.978 5.580 1.00 0.00 C ATOM 261 C ASN A 18 -5.372 -7.464 5.728 1.00 0.00 C ATOM 262 O ASN A 18 -4.291 -6.897 5.891 1.00 0.00 O ATOM 263 CB ASN A 18 -6.304 -9.582 6.676 1.00 0.00 C ATOM 264 CG ASN A 18 -5.806 -9.240 8.054 1.00 0.00 C ATOM 265 OD1 ASN A 18 -5.044 -8.284 8.233 1.00 0.00 O ATOM 266 ND2 ASN A 18 -6.223 -10.004 9.030 1.00 0.00 N ATOM 0 H ASN A 18 -3.803 -9.902 6.500 1.00 0.00 H new ATOM 0 HA ASN A 18 -5.905 -9.198 4.617 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -7.329 -9.228 6.566 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -6.327 -10.666 6.560 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -5.919 -9.821 9.986 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -6.852 -10.783 8.835 1.00 0.00 H new ATOM 273 N GLU A 19 -6.529 -6.812 5.672 1.00 0.00 N ATOM 274 CA GLU A 19 -6.587 -5.357 5.627 1.00 0.00 C ATOM 275 C GLU A 19 -5.910 -4.741 6.845 1.00 0.00 C ATOM 276 O GLU A 19 -5.306 -3.671 6.758 1.00 0.00 O ATOM 277 CB GLU A 19 -8.039 -4.883 5.546 1.00 0.00 C ATOM 278 CG GLU A 19 -8.721 -5.170 4.215 1.00 0.00 C ATOM 279 CD GLU A 19 -9.234 -6.579 4.113 1.00 0.00 C ATOM 280 OE1 GLU A 19 -9.055 -7.325 5.046 1.00 0.00 O ATOM 281 OE2 GLU A 19 -9.808 -6.910 3.102 1.00 0.00 O ATOM 0 H GLU A 19 -7.440 -7.270 5.657 1.00 0.00 H new ATOM 0 HA GLU A 19 -6.053 -5.030 4.735 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -8.609 -5.360 6.343 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -8.069 -3.809 5.732 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -9.551 -4.476 4.080 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -8.016 -4.986 3.404 1.00 0.00 H new ATOM 288 N GLN A 20 -6.013 -5.422 7.981 1.00 0.00 N ATOM 289 CA GLN A 20 -5.417 -4.939 9.221 1.00 0.00 C ATOM 290 C GLN A 20 -3.896 -4.988 9.157 1.00 0.00 C ATOM 291 O GLN A 20 -3.217 -4.047 9.569 1.00 0.00 O ATOM 292 CB GLN A 20 -5.918 -5.761 10.412 1.00 0.00 C ATOM 293 CG GLN A 20 -7.386 -5.553 10.738 1.00 0.00 C ATOM 294 CD GLN A 20 -7.866 -6.461 11.854 1.00 0.00 C ATOM 295 OE1 GLN A 20 -7.311 -7.542 12.076 1.00 0.00 O ATOM 296 NE2 GLN A 20 -8.901 -6.030 12.564 1.00 0.00 N ATOM 0 H GLN A 20 -6.504 -6.311 8.069 1.00 0.00 H new ATOM 0 HA GLN A 20 -5.720 -3.900 9.353 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -5.749 -6.818 10.206 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -5.323 -5.508 11.290 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -7.548 -4.514 11.024 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -7.983 -5.734 9.844 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -9.329 -5.130 12.346 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -9.268 -6.598 13.327 1.00 0.00 H new ATOM 305 N GLU A 21 -3.366 -6.091 8.639 1.00 0.00 N ATOM 306 CA GLU A 21 -1.924 -6.259 8.505 1.00 0.00 C ATOM 307 C GLU A 21 -1.373 -5.411 7.366 1.00 0.00 C ATOM 308 O GLU A 21 -0.234 -4.948 7.418 1.00 0.00 O ATOM 309 CB GLU A 21 -1.577 -7.731 8.272 1.00 0.00 C ATOM 310 CG GLU A 21 -1.837 -8.635 9.469 1.00 0.00 C ATOM 311 CD GLU A 21 -1.011 -8.269 10.670 1.00 0.00 C ATOM 312 OE1 GLU A 21 0.173 -8.083 10.518 1.00 0.00 O ATOM 313 OE2 GLU A 21 -1.563 -8.174 11.740 1.00 0.00 O ATOM 0 H GLU A 21 -3.915 -6.883 8.305 1.00 0.00 H new ATOM 0 HA GLU A 21 -1.463 -5.925 9.435 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -2.154 -8.098 7.423 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -0.525 -7.805 7.998 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -2.894 -8.585 9.732 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -1.626 -9.667 9.190 1.00 0.00 H new ATOM 320 N LEU A 22 -2.190 -5.211 6.337 1.00 0.00 N ATOM 321 CA LEU A 22 -1.834 -4.322 5.238 1.00 0.00 C ATOM 322 C LEU A 22 -1.717 -2.880 5.712 1.00 0.00 C ATOM 323 O LEU A 22 -0.852 -2.133 5.254 1.00 0.00 O ATOM 324 CB LEU A 22 -2.880 -4.416 4.120 1.00 0.00 C ATOM 325 CG LEU A 22 -2.924 -5.747 3.360 1.00 0.00 C ATOM 326 CD1 LEU A 22 -4.126 -5.759 2.424 1.00 0.00 C ATOM 327 CD2 LEU A 22 -1.627 -5.936 2.589 1.00 0.00 C ATOM 0 H LEU A 22 -3.104 -5.653 6.242 1.00 0.00 H new ATOM 0 HA LEU A 22 -0.864 -4.637 4.854 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -3.864 -4.233 4.552 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -2.692 -3.616 3.404 1.00 0.00 H new ATOM 0 HG LEU A 22 -3.028 -6.574 4.063 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -4.157 -6.705 1.884 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -5.041 -5.643 3.005 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -4.041 -4.938 1.712 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -1.659 -6.882 2.049 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -1.503 -5.118 1.880 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -0.788 -5.944 3.285 1.00 0.00 H new ATOM 339 N LYS A 23 -2.591 -2.492 6.633 1.00 0.00 N ATOM 340 CA LYS A 23 -2.500 -1.187 7.277 1.00 0.00 C ATOM 341 C LYS A 23 -1.174 -1.026 8.010 1.00 0.00 C ATOM 342 O LYS A 23 -0.525 0.016 7.918 1.00 0.00 O ATOM 343 CB LYS A 23 -3.664 -0.984 8.247 1.00 0.00 C ATOM 344 CG LYS A 23 -3.661 0.359 8.962 1.00 0.00 C ATOM 345 CD LYS A 23 -4.891 0.520 9.844 1.00 0.00 C ATOM 346 CE LYS A 23 -4.876 1.852 10.579 1.00 0.00 C ATOM 347 NZ LYS A 23 -6.073 2.023 11.447 1.00 0.00 N ATOM 0 H LYS A 23 -3.373 -3.064 6.951 1.00 0.00 H new ATOM 0 HA LYS A 23 -2.554 -0.427 6.497 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -4.600 -1.087 7.698 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -3.642 -1.779 8.993 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -2.761 0.447 9.570 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -3.630 1.164 8.228 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -5.791 0.450 9.233 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -4.932 -0.295 10.566 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -3.974 1.920 11.187 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -4.834 2.665 9.855 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -6.023 2.943 11.929 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -6.933 1.984 10.864 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -6.100 1.262 12.155 1.00 0.00 H new ATOM 361 N LYS A 24 -0.777 -2.064 8.738 1.00 0.00 N ATOM 362 CA LYS A 24 0.506 -2.066 9.432 1.00 0.00 C ATOM 363 C LYS A 24 1.660 -1.864 8.459 1.00 0.00 C ATOM 364 O LYS A 24 2.613 -1.141 8.753 1.00 0.00 O ATOM 365 CB LYS A 24 0.694 -3.373 10.206 1.00 0.00 C ATOM 366 CG LYS A 24 -0.228 -3.529 11.408 1.00 0.00 C ATOM 367 CD LYS A 24 -0.028 -4.875 12.086 1.00 0.00 C ATOM 368 CE LYS A 24 -1.006 -5.070 13.236 1.00 0.00 C ATOM 369 NZ LYS A 24 -0.880 -6.417 13.854 1.00 0.00 N ATOM 0 H LYS A 24 -1.325 -2.915 8.863 1.00 0.00 H new ATOM 0 HA LYS A 24 0.505 -1.234 10.136 1.00 0.00 H new ATOM 0 HB2 LYS A 24 0.531 -4.210 9.527 1.00 0.00 H new ATOM 0 HB3 LYS A 24 1.728 -3.435 10.546 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -0.037 -2.728 12.122 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -1.265 -3.431 11.089 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -0.158 -5.674 11.356 1.00 0.00 H new ATOM 0 HD3 LYS A 24 0.994 -4.948 12.459 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -0.831 -4.306 13.994 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -2.024 -4.932 12.873 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -1.528 -6.489 14.664 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -1.121 -7.145 13.152 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 0.098 -6.560 14.179 1.00 0.00 H new ATOM 383 N GLY A 25 1.567 -2.505 7.298 1.00 0.00 N ATOM 384 CA GLY A 25 2.553 -2.319 6.240 1.00 0.00 C ATOM 385 C GLY A 25 2.626 -0.860 5.806 1.00 0.00 C ATOM 386 O GLY A 25 3.713 -0.306 5.637 1.00 0.00 O ATOM 0 H GLY A 25 0.818 -3.158 7.066 1.00 0.00 H new ATOM 0 HA2 GLY A 25 3.532 -2.647 6.590 1.00 0.00 H new ATOM 0 HA3 GLY A 25 2.295 -2.943 5.385 1.00 0.00 H new ATOM 390 N TYR A 26 1.464 -0.242 5.628 1.00 0.00 N ATOM 391 CA TYR A 26 1.393 1.171 5.278 1.00 0.00 C ATOM 392 C TYR A 26 2.045 2.037 6.349 1.00 0.00 C ATOM 393 O TYR A 26 2.831 2.934 6.042 1.00 0.00 O ATOM 394 CB TYR A 26 -0.060 1.597 5.062 1.00 0.00 C ATOM 395 CG TYR A 26 -0.237 3.087 4.864 1.00 0.00 C ATOM 396 CD1 TYR A 26 0.337 3.714 3.768 1.00 0.00 C ATOM 397 CD2 TYR A 26 -0.973 3.825 5.779 1.00 0.00 C ATOM 398 CE1 TYR A 26 0.175 5.074 3.588 1.00 0.00 C ATOM 399 CE2 TYR A 26 -1.135 5.185 5.599 1.00 0.00 C ATOM 400 CZ TYR A 26 -0.563 5.809 4.508 1.00 0.00 C ATOM 401 OH TYR A 26 -0.724 7.164 4.328 1.00 0.00 O ATOM 0 H TYR A 26 0.557 -0.699 5.721 1.00 0.00 H new ATOM 0 HA TYR A 26 1.942 1.313 4.347 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -0.456 1.075 4.191 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -0.653 1.281 5.920 1.00 0.00 H new ATOM 0 HD1 TYR A 26 0.910 3.139 3.056 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -1.420 3.336 6.632 1.00 0.00 H new ATOM 0 HE1 TYR A 26 0.620 5.564 2.735 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -1.709 5.760 6.311 1.00 0.00 H new ATOM 0 HH TYR A 26 -0.578 7.388 3.385 1.00 0.00 H new ATOM 411 N ARG A 27 1.712 1.764 7.606 1.00 0.00 N ATOM 412 CA ARG A 27 2.239 2.539 8.723 1.00 0.00 C ATOM 413 C ARG A 27 3.762 2.539 8.723 1.00 0.00 C ATOM 414 O ARG A 27 4.392 3.568 8.970 1.00 0.00 O ATOM 415 CB ARG A 27 1.735 1.980 10.046 1.00 0.00 C ATOM 416 CG ARG A 27 0.256 2.207 10.315 1.00 0.00 C ATOM 417 CD ARG A 27 -0.181 1.546 11.570 1.00 0.00 C ATOM 418 NE ARG A 27 0.424 2.155 12.745 1.00 0.00 N ATOM 419 CZ ARG A 27 0.394 1.625 13.982 1.00 0.00 C ATOM 420 NH1 ARG A 27 -0.213 0.479 14.192 1.00 0.00 N ATOM 421 NH2 ARG A 27 0.975 2.260 14.987 1.00 0.00 N ATOM 0 H ARG A 27 1.079 1.011 7.877 1.00 0.00 H new ATOM 0 HA ARG A 27 1.888 3.564 8.605 1.00 0.00 H new ATOM 0 HB2 ARG A 27 1.933 0.908 10.070 1.00 0.00 H new ATOM 0 HB3 ARG A 27 2.310 2.429 10.856 1.00 0.00 H new ATOM 0 HG2 ARG A 27 0.058 3.277 10.379 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -0.329 1.824 9.479 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -1.267 1.602 11.651 1.00 0.00 H new ATOM 0 HD3 ARG A 27 0.082 0.489 11.534 1.00 0.00 H new ATOM 0 HE ARG A 27 0.905 3.046 12.623 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -0.662 -0.010 13.417 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -0.235 0.078 15.130 1.00 0.00 H new ATOM 0 HH21 ARG A 27 1.445 3.150 14.824 1.00 0.00 H new ATOM 0 HH22 ARG A 27 0.953 1.859 15.925 1.00 0.00 H new ATOM 435 N LYS A 28 4.349 1.382 8.442 1.00 0.00 N ATOM 436 CA LYS A 28 5.800 1.259 8.359 1.00 0.00 C ATOM 437 C LYS A 28 6.355 2.066 7.193 1.00 0.00 C ATOM 438 O LYS A 28 7.329 2.803 7.344 1.00 0.00 O ATOM 439 CB LYS A 28 6.206 -0.210 8.222 1.00 0.00 C ATOM 440 CG LYS A 28 5.978 -1.044 9.475 1.00 0.00 C ATOM 441 CD LYS A 28 6.363 -2.499 9.246 1.00 0.00 C ATOM 442 CE LYS A 28 6.109 -3.340 10.489 1.00 0.00 C ATOM 443 NZ LYS A 28 6.454 -4.772 10.272 1.00 0.00 N ATOM 0 H LYS A 28 3.842 0.514 8.267 1.00 0.00 H new ATOM 0 HA LYS A 28 6.222 1.658 9.281 1.00 0.00 H new ATOM 0 HB2 LYS A 28 5.647 -0.654 7.398 1.00 0.00 H new ATOM 0 HB3 LYS A 28 7.261 -0.259 7.954 1.00 0.00 H new ATOM 0 HG2 LYS A 28 6.564 -0.635 10.298 1.00 0.00 H new ATOM 0 HG3 LYS A 28 4.930 -0.984 9.769 1.00 0.00 H new ATOM 0 HD2 LYS A 28 5.792 -2.901 8.409 1.00 0.00 H new ATOM 0 HD3 LYS A 28 7.416 -2.560 8.972 1.00 0.00 H new ATOM 0 HE2 LYS A 28 6.696 -2.947 11.319 1.00 0.00 H new ATOM 0 HE3 LYS A 28 5.060 -3.259 10.774 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 6.267 -5.310 11.142 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 5.876 -5.155 9.497 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 7.461 -4.853 10.025 1.00 0.00 H new ATOM 457 N ALA A 29 5.730 1.925 6.029 1.00 0.00 N ATOM 458 CA ALA A 29 6.148 2.656 4.840 1.00 0.00 C ATOM 459 C ALA A 29 5.915 4.152 5.003 1.00 0.00 C ATOM 460 O ALA A 29 6.693 4.969 4.509 1.00 0.00 O ATOM 461 CB ALA A 29 5.411 2.137 3.613 1.00 0.00 C ATOM 0 H ALA A 29 4.930 1.309 5.884 1.00 0.00 H new ATOM 0 HA ALA A 29 7.217 2.494 4.704 1.00 0.00 H new ATOM 0 HB1 ALA A 29 5.734 2.693 2.733 1.00 0.00 H new ATOM 0 HB2 ALA A 29 5.633 1.079 3.476 1.00 0.00 H new ATOM 0 HB3 ALA A 29 4.338 2.267 3.751 1.00 0.00 H new ATOM 467 N ALA A 30 4.841 4.507 5.699 1.00 0.00 N ATOM 468 CA ALA A 30 4.509 5.906 5.939 1.00 0.00 C ATOM 469 C ALA A 30 5.584 6.592 6.773 1.00 0.00 C ATOM 470 O ALA A 30 5.943 7.742 6.517 1.00 0.00 O ATOM 471 CB ALA A 30 3.155 6.022 6.623 1.00 0.00 C ATOM 0 H ALA A 30 4.184 3.843 6.108 1.00 0.00 H new ATOM 0 HA ALA A 30 4.459 6.409 4.973 1.00 0.00 H new ATOM 0 HB1 ALA A 30 2.923 7.073 6.795 1.00 0.00 H new ATOM 0 HB2 ALA A 30 2.387 5.580 5.988 1.00 0.00 H new ATOM 0 HB3 ALA A 30 3.183 5.496 7.577 1.00 0.00 H new ATOM 477 N LEU A 31 6.094 5.880 7.771 1.00 0.00 N ATOM 478 CA LEU A 31 7.220 6.364 8.561 1.00 0.00 C ATOM 479 C LEU A 31 8.482 6.466 7.715 1.00 0.00 C ATOM 480 O LEU A 31 9.248 7.423 7.837 1.00 0.00 O ATOM 481 CB LEU A 31 7.470 5.435 9.754 1.00 0.00 C ATOM 482 CG LEU A 31 6.399 5.460 10.852 1.00 0.00 C ATOM 483 CD1 LEU A 31 6.683 4.357 11.864 1.00 0.00 C ATOM 484 CD2 LEU A 31 6.390 6.826 11.523 1.00 0.00 C ATOM 0 H LEU A 31 5.745 4.964 8.053 1.00 0.00 H new ATOM 0 HA LEU A 31 6.969 7.360 8.926 1.00 0.00 H new ATOM 0 HB2 LEU A 31 7.560 4.414 9.383 1.00 0.00 H new ATOM 0 HB3 LEU A 31 8.429 5.698 10.201 1.00 0.00 H new ATOM 0 HG LEU A 31 5.416 5.284 10.416 1.00 0.00 H new ATOM 0 HD11 LEU A 31 5.922 4.374 12.644 1.00 0.00 H new ATOM 0 HD12 LEU A 31 6.666 3.390 11.362 1.00 0.00 H new ATOM 0 HD13 LEU A 31 7.664 4.517 12.311 1.00 0.00 H new ATOM 0 HD21 LEU A 31 5.629 6.843 12.303 1.00 0.00 H new ATOM 0 HD22 LEU A 31 7.367 7.021 11.965 1.00 0.00 H new ATOM 0 HD23 LEU A 31 6.168 7.594 10.782 1.00 0.00 H new ATOM 496 N LYS A 32 8.695 5.474 6.858 1.00 0.00 N ATOM 497 CA LYS A 32 9.860 5.455 5.980 1.00 0.00 C ATOM 498 C LYS A 32 9.914 6.704 5.109 1.00 0.00 C ATOM 499 O LYS A 32 10.968 7.319 4.953 1.00 0.00 O ATOM 500 CB LYS A 32 9.850 4.202 5.102 1.00 0.00 C ATOM 501 CG LYS A 32 11.053 4.073 4.177 1.00 0.00 C ATOM 502 CD LYS A 32 11.007 2.772 3.391 1.00 0.00 C ATOM 503 CE LYS A 32 12.206 2.642 2.463 1.00 0.00 C ATOM 504 NZ LYS A 32 12.181 1.368 1.696 1.00 0.00 N ATOM 0 H LYS A 32 8.075 4.671 6.752 1.00 0.00 H new ATOM 0 HA LYS A 32 10.750 5.439 6.609 1.00 0.00 H new ATOM 0 HB2 LYS A 32 9.805 3.323 5.745 1.00 0.00 H new ATOM 0 HB3 LYS A 32 8.942 4.203 4.499 1.00 0.00 H new ATOM 0 HG2 LYS A 32 11.077 4.917 3.487 1.00 0.00 H new ATOM 0 HG3 LYS A 32 11.971 4.114 4.763 1.00 0.00 H new ATOM 0 HD2 LYS A 32 10.986 1.929 4.081 1.00 0.00 H new ATOM 0 HD3 LYS A 32 10.087 2.730 2.808 1.00 0.00 H new ATOM 0 HE2 LYS A 32 12.220 3.483 1.769 1.00 0.00 H new ATOM 0 HE3 LYS A 32 13.124 2.695 3.048 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 13.015 1.319 1.076 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 12.193 0.565 2.357 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 11.317 1.328 1.118 1.00 0.00 H new ATOM 518 N TYR A 33 8.768 7.074 4.544 1.00 0.00 N ATOM 519 CA TYR A 33 8.694 8.216 3.641 1.00 0.00 C ATOM 520 C TYR A 33 7.985 9.393 4.299 1.00 0.00 C ATOM 521 O TYR A 33 7.420 10.249 3.618 1.00 0.00 O ATOM 522 CB TYR A 33 7.985 7.828 2.343 1.00 0.00 C ATOM 523 CG TYR A 33 8.661 6.704 1.590 1.00 0.00 C ATOM 524 CD1 TYR A 33 8.023 5.479 1.450 1.00 0.00 C ATOM 525 CD2 TYR A 33 9.920 6.896 1.040 1.00 0.00 C ATOM 526 CE1 TYR A 33 8.642 4.453 0.763 1.00 0.00 C ATOM 527 CE2 TYR A 33 10.538 5.869 0.353 1.00 0.00 C ATOM 528 CZ TYR A 33 9.903 4.652 0.213 1.00 0.00 C ATOM 529 OH TYR A 33 10.518 3.629 -0.471 1.00 0.00 O ATOM 0 H TYR A 33 7.878 6.599 4.696 1.00 0.00 H new ATOM 0 HA TYR A 33 9.713 8.523 3.406 1.00 0.00 H new ATOM 0 HB2 TYR A 33 6.961 7.534 2.573 1.00 0.00 H new ATOM 0 HB3 TYR A 33 7.928 8.703 1.696 1.00 0.00 H new ATOM 0 HD1 TYR A 33 7.043 5.328 1.878 1.00 0.00 H new ATOM 0 HD2 TYR A 33 10.417 7.849 1.149 1.00 0.00 H new ATOM 0 HE1 TYR A 33 8.148 3.499 0.653 1.00 0.00 H new ATOM 0 HE2 TYR A 33 11.518 6.019 -0.075 1.00 0.00 H new ATOM 0 HH TYR A 33 11.393 3.931 -0.793 1.00 0.00 H new ATOM 539 N HIS A 34 8.018 9.430 5.626 1.00 0.00 N ATOM 540 CA HIS A 34 7.318 10.463 6.382 1.00 0.00 C ATOM 541 C HIS A 34 7.915 11.839 6.117 1.00 0.00 C ATOM 542 O HIS A 34 9.133 12.016 6.157 1.00 0.00 O ATOM 543 CB HIS A 34 7.363 10.160 7.882 1.00 0.00 C ATOM 544 CG HIS A 34 6.351 10.922 8.681 1.00 0.00 C ATOM 545 ND1 HIS A 34 6.471 12.272 8.941 1.00 0.00 N ATOM 546 CD2 HIS A 34 5.202 10.524 9.275 1.00 0.00 C ATOM 547 CE1 HIS A 34 5.437 12.670 9.663 1.00 0.00 C ATOM 548 NE2 HIS A 34 4.654 11.629 9.879 1.00 0.00 N ATOM 0 H HIS A 34 8.523 8.756 6.202 1.00 0.00 H new ATOM 0 HA HIS A 34 6.280 10.466 6.051 1.00 0.00 H new ATOM 0 HB2 HIS A 34 7.203 9.092 8.033 1.00 0.00 H new ATOM 0 HB3 HIS A 34 8.359 10.390 8.260 1.00 0.00 H new ATOM 0 HD2 HIS A 34 4.793 9.525 9.274 1.00 0.00 H new ATOM 0 HE1 HIS A 34 5.263 13.676 10.016 1.00 0.00 H new ATOM 0 HE2 HIS A 34 3.783 11.643 10.409 1.00 0.00 H new ATOM 556 N PRO A 35 7.051 12.812 5.845 1.00 0.00 N ATOM 557 CA PRO A 35 7.496 14.144 5.458 1.00 0.00 C ATOM 558 C PRO A 35 8.460 14.724 6.484 1.00 0.00 C ATOM 559 O PRO A 35 9.385 15.458 6.135 1.00 0.00 O ATOM 560 CB PRO A 35 6.187 14.941 5.400 1.00 0.00 C ATOM 561 CG PRO A 35 5.167 13.937 4.984 1.00 0.00 C ATOM 562 CD PRO A 35 5.565 12.677 5.706 1.00 0.00 C ATOM 0 HA PRO A 35 8.045 14.158 4.517 1.00 0.00 H new ATOM 0 HB2 PRO A 35 5.944 15.378 6.368 1.00 0.00 H new ATOM 0 HB3 PRO A 35 6.252 15.762 4.686 1.00 0.00 H new ATOM 0 HG2 PRO A 35 4.162 14.253 5.262 1.00 0.00 H new ATOM 0 HG3 PRO A 35 5.169 13.793 3.904 1.00 0.00 H new ATOM 0 HD2 PRO A 35 5.076 12.599 6.677 1.00 0.00 H new ATOM 0 HD3 PRO A 35 5.294 11.786 5.139 1.00 0.00 H new ATOM 570 N ASP A 36 8.239 14.390 7.751 1.00 0.00 N ATOM 571 CA ASP A 36 8.960 15.026 8.847 1.00 0.00 C ATOM 572 C ASP A 36 10.211 14.239 9.216 1.00 0.00 C ATOM 573 O ASP A 36 10.855 14.518 10.227 1.00 0.00 O ATOM 574 CB ASP A 36 8.054 15.162 10.075 1.00 0.00 C ATOM 575 CG ASP A 36 6.902 16.135 9.856 1.00 0.00 C ATOM 576 OD1 ASP A 36 7.032 17.000 9.023 1.00 0.00 O ATOM 577 OD2 ASP A 36 5.906 16.001 10.524 1.00 0.00 O ATOM 0 H ASP A 36 7.566 13.682 8.044 1.00 0.00 H new ATOM 0 HA ASP A 36 9.264 16.018 8.512 1.00 0.00 H new ATOM 0 HB2 ASP A 36 7.652 14.183 10.334 1.00 0.00 H new ATOM 0 HB3 ASP A 36 8.649 15.497 10.924 1.00 0.00 H new ATOM 582 N LYS A 37 10.547 13.254 8.392 1.00 0.00 N ATOM 583 CA LYS A 37 11.759 12.468 8.593 1.00 0.00 C ATOM 584 C LYS A 37 12.806 12.789 7.533 1.00 0.00 C ATOM 585 O LYS A 37 12.479 13.274 6.450 1.00 0.00 O ATOM 586 CB LYS A 37 11.437 10.972 8.577 1.00 0.00 C ATOM 587 CG LYS A 37 10.495 10.520 9.686 1.00 0.00 C ATOM 588 CD LYS A 37 11.136 10.679 11.056 1.00 0.00 C ATOM 589 CE LYS A 37 10.235 10.140 12.155 1.00 0.00 C ATOM 590 NZ LYS A 37 10.824 10.343 13.507 1.00 0.00 N ATOM 0 H LYS A 37 9.997 12.980 7.578 1.00 0.00 H new ATOM 0 HA LYS A 37 12.169 12.732 9.568 1.00 0.00 H new ATOM 0 HB2 LYS A 37 10.994 10.718 7.614 1.00 0.00 H new ATOM 0 HB3 LYS A 37 12.368 10.411 8.657 1.00 0.00 H new ATOM 0 HG2 LYS A 37 9.574 11.102 9.643 1.00 0.00 H new ATOM 0 HG3 LYS A 37 10.220 9.477 9.530 1.00 0.00 H new ATOM 0 HD2 LYS A 37 12.091 10.154 11.076 1.00 0.00 H new ATOM 0 HD3 LYS A 37 11.348 11.732 11.241 1.00 0.00 H new ATOM 0 HE2 LYS A 37 9.265 10.634 12.104 1.00 0.00 H new ATOM 0 HE3 LYS A 37 10.060 9.077 11.992 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 10.178 9.962 14.228 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 11.738 9.850 13.565 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 10.968 11.359 13.674 1.00 0.00 H new ATOM 604 N PRO A 38 14.066 12.515 7.851 1.00 0.00 N ATOM 605 CA PRO A 38 15.165 12.787 6.934 1.00 0.00 C ATOM 606 C PRO A 38 14.946 12.100 5.592 1.00 0.00 C ATOM 607 O PRO A 38 15.369 12.601 4.550 1.00 0.00 O ATOM 608 CB PRO A 38 16.381 12.216 7.670 1.00 0.00 C ATOM 609 CG PRO A 38 16.018 12.325 9.112 1.00 0.00 C ATOM 610 CD PRO A 38 14.547 12.005 9.154 1.00 0.00 C ATOM 0 HA PRO A 38 15.274 13.845 6.694 1.00 0.00 H new ATOM 0 HB2 PRO A 38 16.570 11.181 7.384 1.00 0.00 H new ATOM 0 HB3 PRO A 38 17.285 12.780 7.443 1.00 0.00 H new ATOM 0 HG2 PRO A 38 16.594 11.627 9.720 1.00 0.00 H new ATOM 0 HG3 PRO A 38 16.218 13.325 9.498 1.00 0.00 H new ATOM 0 HD2 PRO A 38 14.368 10.935 9.261 1.00 0.00 H new ATOM 0 HD3 PRO A 38 14.049 12.497 9.990 1.00 0.00 H new ATOM 618 N THR A 39 14.285 10.948 5.625 1.00 0.00 N ATOM 619 CA THR A 39 14.074 10.151 4.422 1.00 0.00 C ATOM 620 C THR A 39 12.682 10.377 3.848 1.00 0.00 C ATOM 621 O THR A 39 12.178 9.560 3.077 1.00 0.00 O ATOM 622 CB THR A 39 14.277 8.652 4.708 1.00 0.00 C ATOM 623 OG1 THR A 39 13.365 8.228 5.729 1.00 0.00 O ATOM 624 CG2 THR A 39 15.704 8.385 5.165 1.00 0.00 C ATOM 0 H THR A 39 13.886 10.545 6.473 1.00 0.00 H new ATOM 0 HA THR A 39 14.813 10.474 3.688 1.00 0.00 H new ATOM 0 HB THR A 39 14.089 8.094 3.790 1.00 0.00 H new ATOM 0 HG1 THR A 39 12.615 7.748 5.319 1.00 0.00 H new ATOM 0 HG21 THR A 39 15.830 7.320 5.363 1.00 0.00 H new ATOM 0 HG22 THR A 39 16.400 8.694 4.385 1.00 0.00 H new ATOM 0 HG23 THR A 39 15.906 8.949 6.075 1.00 0.00 H new ATOM 632 N GLY A 40 12.065 11.492 4.226 1.00 0.00 N ATOM 633 CA GLY A 40 10.724 11.823 3.759 1.00 0.00 C ATOM 634 C GLY A 40 10.689 11.968 2.244 1.00 0.00 C ATOM 635 O GLY A 40 11.629 12.484 1.638 1.00 0.00 O ATOM 0 H GLY A 40 12.474 12.183 4.856 1.00 0.00 H new ATOM 0 HA2 GLY A 40 10.026 11.045 4.069 1.00 0.00 H new ATOM 0 HA3 GLY A 40 10.393 12.752 4.224 1.00 0.00 H new ATOM 639 N ASP A 41 9.601 11.510 1.636 1.00 0.00 N ATOM 640 CA ASP A 41 9.451 11.569 0.186 1.00 0.00 C ATOM 641 C ASP A 41 7.981 11.619 -0.214 1.00 0.00 C ATOM 642 O ASP A 41 7.282 10.607 -0.172 1.00 0.00 O ATOM 643 CB ASP A 41 10.124 10.362 -0.473 1.00 0.00 C ATOM 644 CG ASP A 41 10.089 10.421 -1.993 1.00 0.00 C ATOM 645 OD1 ASP A 41 9.146 10.956 -2.526 1.00 0.00 O ATOM 646 OD2 ASP A 41 11.007 9.932 -2.608 1.00 0.00 O ATOM 0 H ASP A 41 8.809 11.093 2.125 1.00 0.00 H new ATOM 0 HA ASP A 41 9.935 12.482 -0.159 1.00 0.00 H new ATOM 0 HB2 ASP A 41 11.160 10.304 -0.141 1.00 0.00 H new ATOM 0 HB3 ASP A 41 9.630 9.450 -0.138 1.00 0.00 H new ATOM 651 N THR A 42 7.519 12.802 -0.602 1.00 0.00 N ATOM 652 CA THR A 42 6.104 13.018 -0.878 1.00 0.00 C ATOM 653 C THR A 42 5.616 12.109 -1.999 1.00 0.00 C ATOM 654 O THR A 42 4.526 11.543 -1.922 1.00 0.00 O ATOM 655 CB THR A 42 5.830 14.488 -1.249 1.00 0.00 C ATOM 656 OG1 THR A 42 6.176 15.334 -0.144 1.00 0.00 O ATOM 657 CG2 THR A 42 4.362 14.686 -1.595 1.00 0.00 C ATOM 0 H THR A 42 8.104 13.627 -0.733 1.00 0.00 H new ATOM 0 HA THR A 42 5.557 12.776 0.033 1.00 0.00 H new ATOM 0 HB THR A 42 6.435 14.747 -2.118 1.00 0.00 H new ATOM 0 HG1 THR A 42 6.003 16.269 -0.381 1.00 0.00 H new ATOM 0 HG21 THR A 42 4.187 15.730 -1.854 1.00 0.00 H new ATOM 0 HG22 THR A 42 4.099 14.053 -2.442 1.00 0.00 H new ATOM 0 HG23 THR A 42 3.746 14.417 -0.737 1.00 0.00 H new ATOM 665 N GLU A 43 6.430 11.972 -3.040 1.00 0.00 N ATOM 666 CA GLU A 43 6.071 11.153 -4.191 1.00 0.00 C ATOM 667 C GLU A 43 5.818 9.708 -3.780 1.00 0.00 C ATOM 668 O GLU A 43 4.783 9.131 -4.110 1.00 0.00 O ATOM 669 CB GLU A 43 7.175 11.206 -5.249 1.00 0.00 C ATOM 670 CG GLU A 43 6.886 10.388 -6.500 1.00 0.00 C ATOM 671 CD GLU A 43 7.962 10.516 -7.543 1.00 0.00 C ATOM 672 OE1 GLU A 43 8.877 11.277 -7.336 1.00 0.00 O ATOM 673 OE2 GLU A 43 7.867 9.853 -8.549 1.00 0.00 O ATOM 0 H GLU A 43 7.344 12.419 -3.110 1.00 0.00 H new ATOM 0 HA GLU A 43 5.151 11.557 -4.613 1.00 0.00 H new ATOM 0 HB2 GLU A 43 7.335 12.245 -5.538 1.00 0.00 H new ATOM 0 HB3 GLU A 43 8.105 10.852 -4.804 1.00 0.00 H new ATOM 0 HG2 GLU A 43 6.776 9.339 -6.225 1.00 0.00 H new ATOM 0 HG3 GLU A 43 5.935 10.707 -6.925 1.00 0.00 H new ATOM 680 N LYS A 44 6.770 9.129 -3.057 1.00 0.00 N ATOM 681 CA LYS A 44 6.659 7.744 -2.613 1.00 0.00 C ATOM 682 C LYS A 44 5.584 7.593 -1.544 1.00 0.00 C ATOM 683 O LYS A 44 4.907 6.567 -1.472 1.00 0.00 O ATOM 684 CB LYS A 44 8.003 7.243 -2.081 1.00 0.00 C ATOM 685 CG LYS A 44 9.115 7.197 -3.121 1.00 0.00 C ATOM 686 CD LYS A 44 8.726 6.326 -4.306 1.00 0.00 C ATOM 687 CE LYS A 44 8.741 4.851 -3.937 1.00 0.00 C ATOM 688 NZ LYS A 44 8.443 3.981 -5.107 1.00 0.00 N ATOM 0 H LYS A 44 7.628 9.597 -2.766 1.00 0.00 H new ATOM 0 HA LYS A 44 6.371 7.140 -3.474 1.00 0.00 H new ATOM 0 HB2 LYS A 44 8.317 7.887 -1.259 1.00 0.00 H new ATOM 0 HB3 LYS A 44 7.867 6.243 -1.669 1.00 0.00 H new ATOM 0 HG2 LYS A 44 9.336 8.207 -3.466 1.00 0.00 H new ATOM 0 HG3 LYS A 44 10.026 6.810 -2.666 1.00 0.00 H new ATOM 0 HD2 LYS A 44 7.732 6.606 -4.655 1.00 0.00 H new ATOM 0 HD3 LYS A 44 9.415 6.503 -5.132 1.00 0.00 H new ATOM 0 HE2 LYS A 44 9.718 4.589 -3.530 1.00 0.00 H new ATOM 0 HE3 LYS A 44 8.008 4.666 -3.152 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 8.430 2.986 -4.805 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 7.515 4.236 -5.502 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 9.176 4.113 -5.833 1.00 0.00 H new ATOM 702 N PHE A 45 5.431 8.620 -0.717 1.00 0.00 N ATOM 703 CA PHE A 45 4.386 8.636 0.298 1.00 0.00 C ATOM 704 C PHE A 45 3.001 8.594 -0.335 1.00 0.00 C ATOM 705 O PHE A 45 2.103 7.911 0.156 1.00 0.00 O ATOM 706 CB PHE A 45 4.511 9.883 1.176 1.00 0.00 C ATOM 707 CG PHE A 45 3.647 9.850 2.405 1.00 0.00 C ATOM 708 CD1 PHE A 45 2.380 10.417 2.393 1.00 0.00 C ATOM 709 CD2 PHE A 45 4.097 9.255 3.573 1.00 0.00 C ATOM 710 CE1 PHE A 45 1.583 10.387 3.522 1.00 0.00 C ATOM 711 CE2 PHE A 45 3.301 9.224 4.702 1.00 0.00 C ATOM 712 CZ PHE A 45 2.043 9.791 4.676 1.00 0.00 C ATOM 0 H PHE A 45 6.019 9.454 -0.730 1.00 0.00 H new ATOM 0 HA PHE A 45 4.512 7.746 0.915 1.00 0.00 H new ATOM 0 HB2 PHE A 45 5.552 10.000 1.478 1.00 0.00 H new ATOM 0 HB3 PHE A 45 4.250 10.760 0.584 1.00 0.00 H new ATOM 0 HD1 PHE A 45 2.013 10.886 1.492 1.00 0.00 H new ATOM 0 HD2 PHE A 45 5.081 8.811 3.601 1.00 0.00 H new ATOM 0 HE1 PHE A 45 0.599 10.831 3.500 1.00 0.00 H new ATOM 0 HE2 PHE A 45 3.663 8.756 5.605 1.00 0.00 H new ATOM 0 HZ PHE A 45 1.420 9.768 5.558 1.00 0.00 H new ATOM 722 N LYS A 46 2.833 9.330 -1.429 1.00 0.00 N ATOM 723 CA LYS A 46 1.587 9.309 -2.183 1.00 0.00 C ATOM 724 C LYS A 46 1.313 7.925 -2.757 1.00 0.00 C ATOM 725 O LYS A 46 0.185 7.433 -2.706 1.00 0.00 O ATOM 726 CB LYS A 46 1.623 10.345 -3.308 1.00 0.00 C ATOM 727 CG LYS A 46 0.341 10.431 -4.126 1.00 0.00 C ATOM 728 CD LYS A 46 0.406 11.565 -5.138 1.00 0.00 C ATOM 729 CE LYS A 46 -0.910 11.718 -5.886 1.00 0.00 C ATOM 730 NZ LYS A 46 -1.146 10.595 -6.832 1.00 0.00 N ATOM 0 H LYS A 46 3.547 9.949 -1.813 1.00 0.00 H new ATOM 0 HA LYS A 46 0.779 9.560 -1.496 1.00 0.00 H new ATOM 0 HB2 LYS A 46 1.831 11.324 -2.877 1.00 0.00 H new ATOM 0 HB3 LYS A 46 2.451 10.109 -3.977 1.00 0.00 H new ATOM 0 HG2 LYS A 46 0.174 9.487 -4.645 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -0.508 10.583 -3.460 1.00 0.00 H new ATOM 0 HD2 LYS A 46 0.646 12.497 -4.627 1.00 0.00 H new ATOM 0 HD3 LYS A 46 1.210 11.375 -5.849 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -1.730 11.768 -5.170 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -0.908 12.660 -6.434 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -1.905 10.853 -7.495 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -0.274 10.399 -7.363 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -1.425 9.746 -6.300 1.00 0.00 H new ATOM 744 N GLU A 47 2.350 7.299 -3.302 1.00 0.00 N ATOM 745 CA GLU A 47 2.214 5.988 -3.924 1.00 0.00 C ATOM 746 C GLU A 47 1.703 4.956 -2.928 1.00 0.00 C ATOM 747 O GLU A 47 0.790 4.186 -3.229 1.00 0.00 O ATOM 748 CB GLU A 47 3.554 5.531 -4.505 1.00 0.00 C ATOM 749 CG GLU A 47 3.991 6.290 -5.750 1.00 0.00 C ATOM 750 CD GLU A 47 5.327 5.839 -6.271 1.00 0.00 C ATOM 751 OE1 GLU A 47 5.916 4.973 -5.671 1.00 0.00 O ATOM 752 OE2 GLU A 47 5.760 6.362 -7.272 1.00 0.00 O ATOM 0 H GLU A 47 3.296 7.680 -3.325 1.00 0.00 H new ATOM 0 HA GLU A 47 1.486 6.076 -4.730 1.00 0.00 H new ATOM 0 HB2 GLU A 47 4.323 5.638 -3.740 1.00 0.00 H new ATOM 0 HB3 GLU A 47 3.489 4.470 -4.745 1.00 0.00 H new ATOM 0 HG2 GLU A 47 3.240 6.162 -6.530 1.00 0.00 H new ATOM 0 HG3 GLU A 47 4.036 7.355 -5.523 1.00 0.00 H new ATOM 759 N ILE A 48 2.299 4.943 -1.740 1.00 0.00 N ATOM 760 CA ILE A 48 1.939 3.972 -0.713 1.00 0.00 C ATOM 761 C ILE A 48 0.594 4.310 -0.083 1.00 0.00 C ATOM 762 O ILE A 48 -0.095 3.434 0.442 1.00 0.00 O ATOM 763 CB ILE A 48 3.019 3.906 0.382 1.00 0.00 C ATOM 764 CG1 ILE A 48 3.127 5.250 1.107 1.00 0.00 C ATOM 765 CG2 ILE A 48 4.359 3.511 -0.216 1.00 0.00 C ATOM 766 CD1 ILE A 48 3.996 5.209 2.343 1.00 0.00 C ATOM 0 H ILE A 48 3.034 5.594 -1.465 1.00 0.00 H new ATOM 0 HA ILE A 48 1.864 2.999 -1.198 1.00 0.00 H new ATOM 0 HB ILE A 48 2.731 3.146 1.108 1.00 0.00 H new ATOM 0 HG12 ILE A 48 3.527 5.993 0.417 1.00 0.00 H new ATOM 0 HG13 ILE A 48 2.127 5.582 1.388 1.00 0.00 H new ATOM 0 HG21 ILE A 48 5.111 3.469 0.572 1.00 0.00 H new ATOM 0 HG22 ILE A 48 4.273 2.532 -0.688 1.00 0.00 H new ATOM 0 HG23 ILE A 48 4.656 4.248 -0.962 1.00 0.00 H new ATOM 0 HD11 ILE A 48 4.024 6.198 2.801 1.00 0.00 H new ATOM 0 HD12 ILE A 48 3.585 4.491 3.053 1.00 0.00 H new ATOM 0 HD13 ILE A 48 5.007 4.909 2.067 1.00 0.00 H new ATOM 778 N SER A 49 0.226 5.585 -0.135 1.00 0.00 N ATOM 779 CA SER A 49 -1.081 6.026 0.340 1.00 0.00 C ATOM 780 C SER A 49 -2.192 5.560 -0.593 1.00 0.00 C ATOM 781 O SER A 49 -3.272 5.177 -0.145 1.00 0.00 O ATOM 782 CB SER A 49 -1.110 7.537 0.460 1.00 0.00 C ATOM 783 OG SER A 49 -0.254 7.976 1.478 1.00 0.00 O ATOM 0 H SER A 49 0.815 6.333 -0.502 1.00 0.00 H new ATOM 0 HA SER A 49 -1.250 5.582 1.321 1.00 0.00 H new ATOM 0 HB2 SER A 49 -0.814 7.986 -0.488 1.00 0.00 H new ATOM 0 HB3 SER A 49 -2.127 7.870 0.667 1.00 0.00 H new ATOM 0 HG SER A 49 0.633 8.158 1.104 1.00 0.00 H new ATOM 789 N GLU A 50 -1.920 5.594 -1.893 1.00 0.00 N ATOM 790 CA GLU A 50 -2.815 5.002 -2.880 1.00 0.00 C ATOM 791 C GLU A 50 -2.924 3.496 -2.689 1.00 0.00 C ATOM 792 O GLU A 50 -4.020 2.935 -2.714 1.00 0.00 O ATOM 793 CB GLU A 50 -2.327 5.314 -4.296 1.00 0.00 C ATOM 794 CG GLU A 50 -2.540 6.756 -4.732 1.00 0.00 C ATOM 795 CD GLU A 50 -1.885 7.072 -6.048 1.00 0.00 C ATOM 796 OE1 GLU A 50 -1.267 6.198 -6.607 1.00 0.00 O ATOM 797 OE2 GLU A 50 -2.002 8.188 -6.493 1.00 0.00 O ATOM 0 H GLU A 50 -1.085 6.026 -2.288 1.00 0.00 H new ATOM 0 HA GLU A 50 -3.804 5.438 -2.739 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -1.264 5.081 -4.360 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -2.840 4.656 -4.997 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -3.609 6.953 -4.807 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -2.146 7.424 -3.966 1.00 0.00 H new ATOM 804 N ALA A 51 -1.782 2.842 -2.498 1.00 0.00 N ATOM 805 CA ALA A 51 -1.754 1.411 -2.230 1.00 0.00 C ATOM 806 C ALA A 51 -2.565 1.065 -0.987 1.00 0.00 C ATOM 807 O ALA A 51 -3.320 0.093 -0.977 1.00 0.00 O ATOM 808 CB ALA A 51 -0.319 0.930 -2.074 1.00 0.00 C ATOM 0 H ALA A 51 -0.863 3.283 -2.524 1.00 0.00 H new ATOM 0 HA ALA A 51 -2.208 0.902 -3.080 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -0.314 -0.141 -1.874 1.00 0.00 H new ATOM 0 HB2 ALA A 51 0.234 1.130 -2.992 1.00 0.00 H new ATOM 0 HB3 ALA A 51 0.153 1.456 -1.244 1.00 0.00 H new ATOM 814 N PHE A 52 -2.406 1.869 0.059 1.00 0.00 N ATOM 815 CA PHE A 52 -3.144 1.666 1.300 1.00 0.00 C ATOM 816 C PHE A 52 -4.648 1.746 1.065 1.00 0.00 C ATOM 817 O PHE A 52 -5.380 0.799 1.349 1.00 0.00 O ATOM 818 CB PHE A 52 -2.730 2.705 2.344 1.00 0.00 C ATOM 819 CG PHE A 52 -3.598 2.712 3.569 1.00 0.00 C ATOM 820 CD1 PHE A 52 -3.640 1.610 4.412 1.00 0.00 C ATOM 821 CD2 PHE A 52 -4.373 3.817 3.883 1.00 0.00 C ATOM 822 CE1 PHE A 52 -4.438 1.615 5.541 1.00 0.00 C ATOM 823 CE2 PHE A 52 -5.170 3.824 5.012 1.00 0.00 C ATOM 824 CZ PHE A 52 -5.202 2.721 5.840 1.00 0.00 C ATOM 0 H PHE A 52 -1.772 2.668 0.072 1.00 0.00 H new ATOM 0 HA PHE A 52 -2.904 0.669 1.670 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -1.699 2.516 2.642 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -2.754 3.695 1.888 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -3.043 0.739 4.184 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -4.354 4.683 3.238 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -4.462 0.751 6.189 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -5.768 4.693 5.246 1.00 0.00 H new ATOM 0 HZ PHE A 52 -5.826 2.725 6.722 1.00 0.00 H new ATOM 834 N GLU A 53 -5.101 2.882 0.544 1.00 0.00 N ATOM 835 CA GLU A 53 -6.528 3.134 0.382 1.00 0.00 C ATOM 836 C GLU A 53 -7.182 2.064 -0.482 1.00 0.00 C ATOM 837 O GLU A 53 -8.260 1.565 -0.159 1.00 0.00 O ATOM 838 CB GLU A 53 -6.758 4.514 -0.236 1.00 0.00 C ATOM 839 CG GLU A 53 -8.208 4.979 -0.215 1.00 0.00 C ATOM 840 CD GLU A 53 -9.010 4.446 -1.368 1.00 0.00 C ATOM 841 OE1 GLU A 53 -8.445 4.240 -2.416 1.00 0.00 O ATOM 842 OE2 GLU A 53 -10.191 4.245 -1.201 1.00 0.00 O ATOM 0 H GLU A 53 -4.500 3.643 0.227 1.00 0.00 H new ATOM 0 HA GLU A 53 -6.986 3.103 1.371 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -6.148 5.243 0.296 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -6.409 4.499 -1.268 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -8.672 4.664 0.720 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -8.235 6.069 -0.233 1.00 0.00 H new ATOM 849 N ILE A 54 -6.524 1.715 -1.582 1.00 0.00 N ATOM 850 CA ILE A 54 -7.047 0.710 -2.500 1.00 0.00 C ATOM 851 C ILE A 54 -7.110 -0.661 -1.840 1.00 0.00 C ATOM 852 O ILE A 54 -8.084 -1.394 -2.004 1.00 0.00 O ATOM 853 CB ILE A 54 -6.185 0.630 -3.774 1.00 0.00 C ATOM 854 CG1 ILE A 54 -6.323 1.913 -4.596 1.00 0.00 C ATOM 855 CG2 ILE A 54 -6.575 -0.583 -4.604 1.00 0.00 C ATOM 856 CD1 ILE A 54 -5.287 2.053 -5.687 1.00 0.00 C ATOM 0 H ILE A 54 -5.627 2.113 -1.860 1.00 0.00 H new ATOM 0 HA ILE A 54 -8.058 1.013 -2.772 1.00 0.00 H new ATOM 0 HB ILE A 54 -5.141 0.523 -3.479 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -7.316 1.941 -5.045 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -6.251 2.771 -3.928 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -5.956 -0.625 -5.500 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -6.425 -1.489 -4.017 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -7.624 -0.506 -4.890 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -5.450 2.986 -6.226 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -4.291 2.058 -5.244 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -5.372 1.215 -6.379 1.00 0.00 H new ATOM 868 N LEU A 55 -6.065 -1.001 -1.094 1.00 0.00 N ATOM 869 CA LEU A 55 -5.972 -2.310 -0.457 1.00 0.00 C ATOM 870 C LEU A 55 -6.654 -2.309 0.905 1.00 0.00 C ATOM 871 O LEU A 55 -6.848 -3.361 1.513 1.00 0.00 O ATOM 872 CB LEU A 55 -4.503 -2.719 -0.300 1.00 0.00 C ATOM 873 CG LEU A 55 -3.712 -2.875 -1.605 1.00 0.00 C ATOM 874 CD1 LEU A 55 -2.256 -3.181 -1.285 1.00 0.00 C ATOM 875 CD2 LEU A 55 -4.333 -3.984 -2.444 1.00 0.00 C ATOM 0 H LEU A 55 -5.270 -0.388 -0.915 1.00 0.00 H new ATOM 0 HA LEU A 55 -6.482 -3.031 -1.096 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -4.002 -1.975 0.320 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -4.464 -3.664 0.242 1.00 0.00 H new ATOM 0 HG LEU A 55 -3.749 -1.948 -2.177 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -1.695 -3.292 -2.213 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -1.833 -2.364 -0.700 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -2.196 -4.106 -0.712 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -3.772 -4.096 -3.372 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -4.305 -4.921 -1.887 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -5.368 -3.730 -2.674 1.00 0.00 H new ATOM 887 N ASN A 56 -7.014 -1.120 1.381 1.00 0.00 N ATOM 888 CA ASN A 56 -7.770 -0.989 2.620 1.00 0.00 C ATOM 889 C ASN A 56 -9.222 -1.404 2.427 1.00 0.00 C ATOM 890 O ASN A 56 -9.760 -2.197 3.200 1.00 0.00 O ATOM 891 CB ASN A 56 -7.685 0.431 3.148 1.00 0.00 C ATOM 892 CG ASN A 56 -8.386 0.599 4.468 1.00 0.00 C ATOM 893 OD1 ASN A 56 -8.053 -0.073 5.452 1.00 0.00 O ATOM 894 ND2 ASN A 56 -9.349 1.483 4.510 1.00 0.00 N ATOM 0 H ASN A 56 -6.794 -0.234 0.926 1.00 0.00 H new ATOM 0 HA ASN A 56 -7.327 -1.660 3.356 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -6.638 0.712 3.259 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -8.123 1.113 2.419 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -9.859 1.641 5.379 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -9.590 2.015 3.674 1.00 0.00 H new ATOM 901 N ASP A 57 -9.854 -0.863 1.390 1.00 0.00 N ATOM 902 CA ASP A 57 -11.194 -1.288 1.002 1.00 0.00 C ATOM 903 C ASP A 57 -11.187 -2.719 0.480 1.00 0.00 C ATOM 904 O ASP A 57 -10.584 -3.010 -0.555 1.00 0.00 O ATOM 905 CB ASP A 57 -11.766 -0.351 -0.064 1.00 0.00 C ATOM 906 CG ASP A 57 -13.205 -0.683 -0.434 1.00 0.00 C ATOM 907 OD1 ASP A 57 -13.664 -1.739 -0.067 1.00 0.00 O ATOM 908 OD2 ASP A 57 -13.833 0.123 -1.079 1.00 0.00 O ATOM 0 H ASP A 57 -9.459 -0.129 0.803 1.00 0.00 H new ATOM 0 HA ASP A 57 -11.825 -1.247 1.890 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -11.717 0.676 0.298 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -11.145 -0.404 -0.958 1.00 0.00 H new ATOM 913 N PRO A 58 -11.861 -3.609 1.199 1.00 0.00 N ATOM 914 CA PRO A 58 -11.907 -5.019 0.826 1.00 0.00 C ATOM 915 C PRO A 58 -12.355 -5.193 -0.618 1.00 0.00 C ATOM 916 O PRO A 58 -11.883 -6.086 -1.321 1.00 0.00 O ATOM 917 CB PRO A 58 -12.930 -5.600 1.809 1.00 0.00 C ATOM 918 CG PRO A 58 -12.791 -4.753 3.027 1.00 0.00 C ATOM 919 CD PRO A 58 -12.571 -3.362 2.491 1.00 0.00 C ATOM 0 HA PRO A 58 -10.937 -5.512 0.880 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -13.941 -5.553 1.405 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -12.722 -6.648 2.027 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -13.684 -4.803 3.650 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -11.954 -5.078 3.644 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -13.513 -2.834 2.340 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -11.972 -2.757 3.172 1.00 0.00 H new ATOM 927 N GLN A 59 -13.269 -4.333 -1.057 1.00 0.00 N ATOM 928 CA GLN A 59 -13.822 -4.424 -2.403 1.00 0.00 C ATOM 929 C GLN A 59 -12.777 -4.068 -3.453 1.00 0.00 C ATOM 930 O GLN A 59 -12.644 -4.753 -4.467 1.00 0.00 O ATOM 931 CB GLN A 59 -15.039 -3.507 -2.546 1.00 0.00 C ATOM 932 CG GLN A 59 -15.748 -3.615 -3.885 1.00 0.00 C ATOM 933 CD GLN A 59 -16.362 -4.985 -4.106 1.00 0.00 C ATOM 934 OE1 GLN A 59 -17.153 -5.465 -3.290 1.00 0.00 O ATOM 935 NE2 GLN A 59 -16.000 -5.624 -5.213 1.00 0.00 N ATOM 0 H GLN A 59 -13.642 -3.565 -0.499 1.00 0.00 H new ATOM 0 HA GLN A 59 -14.133 -5.456 -2.565 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -15.749 -3.738 -1.752 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -14.721 -2.475 -2.398 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -16.529 -2.857 -3.942 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -15.040 -3.404 -4.686 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -15.343 -5.190 -5.861 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -16.379 -6.549 -5.415 1.00 0.00 H new ATOM 944 N LYS A 60 -12.038 -2.993 -3.204 1.00 0.00 N ATOM 945 CA LYS A 60 -11.009 -2.539 -4.131 1.00 0.00 C ATOM 946 C LYS A 60 -9.817 -3.486 -4.140 1.00 0.00 C ATOM 947 O LYS A 60 -9.193 -3.707 -5.178 1.00 0.00 O ATOM 948 CB LYS A 60 -10.552 -1.123 -3.775 1.00 0.00 C ATOM 949 CG LYS A 60 -11.588 -0.041 -4.047 1.00 0.00 C ATOM 950 CD LYS A 60 -11.046 1.340 -3.708 1.00 0.00 C ATOM 951 CE LYS A 60 -12.101 2.416 -3.915 1.00 0.00 C ATOM 952 NZ LYS A 60 -11.569 3.778 -3.640 1.00 0.00 N ATOM 0 H LYS A 60 -12.133 -2.419 -2.366 1.00 0.00 H new ATOM 0 HA LYS A 60 -11.444 -2.530 -5.130 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -10.284 -1.095 -2.719 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -9.648 -0.893 -4.339 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -11.882 -0.071 -5.096 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -12.485 -0.237 -3.459 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -10.707 1.355 -2.672 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -10.178 1.555 -4.331 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -12.469 2.371 -4.940 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -12.952 2.220 -3.262 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -12.353 4.461 -3.626 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -11.089 3.784 -2.717 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -10.892 4.043 -4.384 1.00 0.00 H new ATOM 966 N ARG A 61 -9.505 -4.048 -2.976 1.00 0.00 N ATOM 967 CA ARG A 61 -8.441 -5.036 -2.864 1.00 0.00 C ATOM 968 C ARG A 61 -8.755 -6.281 -3.683 1.00 0.00 C ATOM 969 O ARG A 61 -7.904 -6.786 -4.415 1.00 0.00 O ATOM 970 CB ARG A 61 -8.228 -5.431 -1.410 1.00 0.00 C ATOM 971 CG ARG A 61 -7.116 -6.441 -1.177 1.00 0.00 C ATOM 972 CD ARG A 61 -6.900 -6.699 0.271 1.00 0.00 C ATOM 973 NE ARG A 61 -8.054 -7.333 0.886 1.00 0.00 N ATOM 974 CZ ARG A 61 -8.393 -8.627 0.724 1.00 0.00 C ATOM 975 NH1 ARG A 61 -7.658 -9.408 -0.035 1.00 0.00 N ATOM 976 NH2 ARG A 61 -9.465 -9.110 1.328 1.00 0.00 N ATOM 0 H ARG A 61 -9.976 -3.835 -2.097 1.00 0.00 H new ATOM 0 HA ARG A 61 -7.531 -4.581 -3.253 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -8.010 -4.532 -0.833 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -9.159 -5.842 -1.020 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -7.363 -7.376 -1.680 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -6.192 -6.073 -1.623 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -6.024 -7.335 0.400 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -6.688 -5.759 0.780 1.00 0.00 H new ATOM 0 HE ARG A 61 -8.649 -6.758 1.482 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -6.831 -9.035 -0.501 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -7.914 -10.388 -0.158 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -10.036 -8.503 1.917 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -9.722 -10.090 1.205 1.00 0.00 H new ATOM 990 N GLU A 62 -9.984 -6.772 -3.556 1.00 0.00 N ATOM 991 CA GLU A 62 -10.447 -7.897 -4.360 1.00 0.00 C ATOM 992 C GLU A 62 -10.347 -7.588 -5.848 1.00 0.00 C ATOM 993 O GLU A 62 -9.832 -8.392 -6.627 1.00 0.00 O ATOM 994 CB GLU A 62 -11.890 -8.253 -3.999 1.00 0.00 C ATOM 995 CG GLU A 62 -12.458 -9.436 -4.771 1.00 0.00 C ATOM 996 CD GLU A 62 -13.858 -9.787 -4.354 1.00 0.00 C ATOM 997 OE1 GLU A 62 -14.379 -9.137 -3.480 1.00 0.00 O ATOM 998 OE2 GLU A 62 -14.409 -10.707 -4.911 1.00 0.00 O ATOM 0 H GLU A 62 -10.678 -6.408 -2.903 1.00 0.00 H new ATOM 0 HA GLU A 62 -9.803 -8.749 -4.142 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -11.941 -8.472 -2.933 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -12.521 -7.382 -4.176 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -12.448 -9.207 -5.837 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -11.813 -10.302 -4.625 1.00 0.00 H new ATOM 1005 N ILE A 63 -10.844 -6.418 -6.239 1.00 0.00 N ATOM 1006 CA ILE A 63 -10.785 -5.988 -7.631 1.00 0.00 C ATOM 1007 C ILE A 63 -9.346 -5.912 -8.124 1.00 0.00 C ATOM 1008 O ILE A 63 -9.041 -6.315 -9.246 1.00 0.00 O ATOM 1009 CB ILE A 63 -11.464 -4.617 -7.812 1.00 0.00 C ATOM 1010 CG1 ILE A 63 -12.975 -4.738 -7.600 1.00 0.00 C ATOM 1011 CG2 ILE A 63 -11.159 -4.051 -9.189 1.00 0.00 C ATOM 1012 CD1 ILE A 63 -13.679 -3.409 -7.463 1.00 0.00 C ATOM 0 H ILE A 63 -11.292 -5.751 -5.611 1.00 0.00 H new ATOM 0 HA ILE A 63 -11.319 -6.731 -8.223 1.00 0.00 H new ATOM 0 HB ILE A 63 -11.066 -3.931 -7.064 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -13.408 -5.283 -8.439 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -13.161 -5.331 -6.705 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -11.646 -3.082 -9.300 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -10.082 -3.930 -9.302 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -11.530 -4.734 -9.953 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -14.746 -3.576 -7.316 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -13.274 -2.870 -6.607 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -13.525 -2.821 -8.368 1.00 0.00 H new ATOM 1024 N TYR A 64 -8.462 -5.392 -7.279 1.00 0.00 N ATOM 1025 CA TYR A 64 -7.044 -5.313 -7.604 1.00 0.00 C ATOM 1026 C TYR A 64 -6.461 -6.696 -7.866 1.00 0.00 C ATOM 1027 O TYR A 64 -5.806 -6.922 -8.883 1.00 0.00 O ATOM 1028 CB TYR A 64 -6.274 -4.617 -6.479 1.00 0.00 C ATOM 1029 CG TYR A 64 -4.783 -4.531 -6.723 1.00 0.00 C ATOM 1030 CD1 TYR A 64 -4.285 -3.651 -7.671 1.00 0.00 C ATOM 1031 CD2 TYR A 64 -3.915 -5.332 -5.997 1.00 0.00 C ATOM 1032 CE1 TYR A 64 -2.923 -3.572 -7.893 1.00 0.00 C ATOM 1033 CE2 TYR A 64 -2.555 -5.253 -6.218 1.00 0.00 C ATOM 1034 CZ TYR A 64 -2.058 -4.378 -7.162 1.00 0.00 C ATOM 1035 OH TYR A 64 -0.702 -4.299 -7.382 1.00 0.00 O ATOM 0 H TYR A 64 -8.704 -5.018 -6.361 1.00 0.00 H new ATOM 0 HA TYR A 64 -6.942 -4.725 -8.516 1.00 0.00 H new ATOM 0 HB2 TYR A 64 -6.670 -3.610 -6.349 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -6.450 -5.152 -5.546 1.00 0.00 H new ATOM 0 HD1 TYR A 64 -4.961 -3.027 -8.236 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -4.303 -6.018 -5.258 1.00 0.00 H new ATOM 0 HE1 TYR A 64 -2.533 -2.887 -8.631 1.00 0.00 H new ATOM 0 HE2 TYR A 64 -1.879 -5.877 -5.652 1.00 0.00 H new ATOM 0 HH TYR A 64 -0.533 -4.160 -8.337 1.00 0.00 H new ATOM 1045 N ASP A 65 -6.703 -7.619 -6.940 1.00 0.00 N ATOM 1046 CA ASP A 65 -6.166 -8.970 -7.048 1.00 0.00 C ATOM 1047 C ASP A 65 -6.676 -9.669 -8.302 1.00 0.00 C ATOM 1048 O ASP A 65 -5.935 -10.390 -8.968 1.00 0.00 O ATOM 1049 CB ASP A 65 -6.534 -9.793 -5.811 1.00 0.00 C ATOM 1050 CG ASP A 65 -5.820 -9.322 -4.552 1.00 0.00 C ATOM 1051 OD1 ASP A 65 -4.886 -8.565 -4.669 1.00 0.00 O ATOM 1052 OD2 ASP A 65 -6.216 -9.723 -3.483 1.00 0.00 O ATOM 0 H ASP A 65 -7.268 -7.455 -6.107 1.00 0.00 H new ATOM 0 HA ASP A 65 -5.081 -8.890 -7.116 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -7.611 -9.740 -5.653 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -6.289 -10.840 -5.991 1.00 0.00 H new ATOM 1057 N GLN A 66 -7.949 -9.449 -8.618 1.00 0.00 N ATOM 1058 CA GLN A 66 -8.609 -10.187 -9.687 1.00 0.00 C ATOM 1059 C GLN A 66 -8.344 -9.548 -11.044 1.00 0.00 C ATOM 1060 O GLN A 66 -8.182 -10.243 -12.047 1.00 0.00 O ATOM 1061 CB GLN A 66 -10.118 -10.265 -9.433 1.00 0.00 C ATOM 1062 CG GLN A 66 -10.504 -11.128 -8.243 1.00 0.00 C ATOM 1063 CD GLN A 66 -12.000 -11.126 -7.989 1.00 0.00 C ATOM 1064 OE1 GLN A 66 -12.719 -10.230 -8.438 1.00 0.00 O ATOM 1065 NE2 GLN A 66 -12.477 -12.134 -7.268 1.00 0.00 N ATOM 0 H GLN A 66 -8.543 -8.765 -8.148 1.00 0.00 H new ATOM 0 HA GLN A 66 -8.196 -11.196 -9.697 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -10.502 -9.257 -9.276 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -10.606 -10.657 -10.326 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -10.169 -12.151 -8.415 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -9.987 -10.768 -7.354 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -11.845 -12.854 -6.917 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -13.475 -12.189 -7.066 1.00 0.00 H new ATOM 1074 N TYR A 67 -8.300 -8.221 -11.068 1.00 0.00 N ATOM 1075 CA TYR A 67 -8.301 -7.478 -12.322 1.00 0.00 C ATOM 1076 C TYR A 67 -7.041 -6.633 -12.462 1.00 0.00 C ATOM 1077 O TYR A 67 -6.403 -6.622 -13.515 1.00 0.00 O ATOM 1078 CB TYR A 67 -9.546 -6.593 -12.420 1.00 0.00 C ATOM 1079 CG TYR A 67 -10.847 -7.363 -12.376 1.00 0.00 C ATOM 1080 CD1 TYR A 67 -11.253 -8.100 -13.480 1.00 0.00 C ATOM 1081 CD2 TYR A 67 -11.632 -7.334 -11.234 1.00 0.00 C ATOM 1082 CE1 TYR A 67 -12.442 -8.802 -13.440 1.00 0.00 C ATOM 1083 CE2 TYR A 67 -12.821 -8.037 -11.194 1.00 0.00 C ATOM 1084 CZ TYR A 67 -13.226 -8.770 -12.292 1.00 0.00 C ATOM 1085 OH TYR A 67 -14.409 -9.471 -12.253 1.00 0.00 O ATOM 0 H TYR A 67 -8.263 -7.637 -10.232 1.00 0.00 H new ATOM 0 HA TYR A 67 -8.318 -8.200 -13.138 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -9.533 -5.872 -11.602 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -9.503 -6.023 -13.348 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -10.640 -8.125 -14.369 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -11.314 -6.762 -10.375 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -12.762 -9.374 -14.298 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -13.433 -8.013 -10.305 1.00 0.00 H new ATOM 0 HH TYR A 67 -14.835 -9.345 -11.380 1.00 0.00 H new ATOM 1095 N GLY A 68 -6.688 -5.924 -11.395 1.00 0.00 N ATOM 1096 CA GLY A 68 -5.445 -5.162 -11.357 1.00 0.00 C ATOM 1097 C GLY A 68 -5.699 -3.714 -10.962 1.00 0.00 C ATOM 1098 O GLY A 68 -6.817 -3.345 -10.601 1.00 0.00 O ATOM 0 H GLY A 68 -7.246 -5.861 -10.544 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -4.756 -5.620 -10.647 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -4.964 -5.196 -12.335 1.00 0.00 H new ATOM 1102 N LEU A 69 -4.655 -2.895 -11.032 1.00 0.00 N ATOM 1103 CA LEU A 69 -4.719 -1.526 -10.533 1.00 0.00 C ATOM 1104 C LEU A 69 -5.765 -0.714 -11.286 1.00 0.00 C ATOM 1105 O LEU A 69 -6.574 -0.010 -10.681 1.00 0.00 O ATOM 1106 CB LEU A 69 -3.349 -0.850 -10.660 1.00 0.00 C ATOM 1107 CG LEU A 69 -3.278 0.607 -10.185 1.00 0.00 C ATOM 1108 CD1 LEU A 69 -3.650 0.678 -8.709 1.00 0.00 C ATOM 1109 CD2 LEU A 69 -1.878 1.152 -10.422 1.00 0.00 C ATOM 0 H LEU A 69 -3.753 -3.156 -11.430 1.00 0.00 H new ATOM 0 HA LEU A 69 -5.006 -1.566 -9.482 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -2.623 -1.433 -10.093 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -3.042 -0.887 -11.705 1.00 0.00 H new ATOM 0 HG LEU A 69 -3.984 1.217 -10.749 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -3.600 1.713 -8.371 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -4.663 0.300 -8.570 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -2.954 0.072 -8.129 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -1.829 2.187 -10.084 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -1.156 0.554 -9.866 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -1.645 1.106 -11.486 1.00 0.00 H new ATOM 1121 N GLU A 70 -5.744 -0.817 -12.611 1.00 0.00 N ATOM 1122 CA GLU A 70 -6.650 -0.044 -13.453 1.00 0.00 C ATOM 1123 C GLU A 70 -8.092 -0.176 -12.977 1.00 0.00 C ATOM 1124 O GLU A 70 -8.777 0.823 -12.761 1.00 0.00 O ATOM 1125 CB GLU A 70 -6.541 -0.499 -14.910 1.00 0.00 C ATOM 1126 CG GLU A 70 -7.442 0.259 -15.875 1.00 0.00 C ATOM 1127 CD GLU A 70 -7.308 -0.213 -17.295 1.00 0.00 C ATOM 1128 OE1 GLU A 70 -6.521 -1.097 -17.536 1.00 0.00 O ATOM 1129 OE2 GLU A 70 -7.995 0.310 -18.142 1.00 0.00 O ATOM 0 H GLU A 70 -5.109 -1.428 -13.125 1.00 0.00 H new ATOM 0 HA GLU A 70 -6.359 1.004 -13.381 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -5.507 -0.389 -15.236 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -6.782 -1.561 -14.965 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -8.479 0.150 -15.558 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -7.204 1.322 -15.827 1.00 0.00 H new ATOM 1136 N ALA A 71 -8.545 -1.415 -12.817 1.00 0.00 N ATOM 1137 CA ALA A 71 -9.903 -1.679 -12.357 1.00 0.00 C ATOM 1138 C ALA A 71 -10.103 -1.202 -10.925 1.00 0.00 C ATOM 1139 O ALA A 71 -11.155 -0.662 -10.580 1.00 0.00 O ATOM 1140 CB ALA A 71 -10.222 -3.163 -12.469 1.00 0.00 C ATOM 0 H ALA A 71 -7.991 -2.252 -12.999 1.00 0.00 H new ATOM 0 HA ALA A 71 -10.588 -1.122 -12.996 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -11.239 -3.344 -12.122 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -10.132 -3.477 -13.509 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -9.523 -3.733 -11.857 1.00 0.00 H new ATOM 1146 N ALA A 72 -9.088 -1.403 -10.092 1.00 0.00 N ATOM 1147 CA ALA A 72 -9.160 -1.021 -8.687 1.00 0.00 C ATOM 1148 C ALA A 72 -9.343 0.484 -8.535 1.00 0.00 C ATOM 1149 O ALA A 72 -10.073 0.945 -7.659 1.00 0.00 O ATOM 1150 CB ALA A 72 -7.913 -1.478 -7.946 1.00 0.00 C ATOM 0 H ALA A 72 -8.203 -1.830 -10.367 1.00 0.00 H new ATOM 0 HA ALA A 72 -10.029 -1.514 -8.250 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -7.984 -1.184 -6.899 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -7.826 -2.562 -8.014 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -7.034 -1.015 -8.394 1.00 0.00 H new ATOM 1156 N ARG A 73 -8.675 1.246 -9.395 1.00 0.00 N ATOM 1157 CA ARG A 73 -8.789 2.699 -9.380 1.00 0.00 C ATOM 1158 C ARG A 73 -10.163 3.149 -9.862 1.00 0.00 C ATOM 1159 O ARG A 73 -10.741 4.094 -9.325 1.00 0.00 O ATOM 1160 CB ARG A 73 -7.716 3.330 -10.258 1.00 0.00 C ATOM 1161 CG ARG A 73 -6.299 3.203 -9.724 1.00 0.00 C ATOM 1162 CD ARG A 73 -5.301 3.738 -10.686 1.00 0.00 C ATOM 1163 NE ARG A 73 -5.417 5.178 -10.843 1.00 0.00 N ATOM 1164 CZ ARG A 73 -4.837 5.890 -11.830 1.00 0.00 C ATOM 1165 NH1 ARG A 73 -4.105 5.281 -12.736 1.00 0.00 N ATOM 1166 NH2 ARG A 73 -5.003 7.199 -11.886 1.00 0.00 N ATOM 0 H ARG A 73 -8.048 0.880 -10.112 1.00 0.00 H new ATOM 0 HA ARG A 73 -8.653 3.027 -8.349 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -7.759 2.872 -11.246 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -7.947 4.387 -10.387 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -6.217 3.739 -8.778 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -6.080 2.155 -9.517 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -4.297 3.490 -10.343 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -5.435 3.255 -11.654 1.00 0.00 H new ATOM 0 HE ARG A 73 -5.977 5.686 -10.158 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -3.976 4.270 -12.692 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -3.666 5.819 -13.483 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -5.570 7.672 -11.182 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -4.564 7.737 -12.633 1.00 0.00 H new ATOM 1180 N SER A 74 -10.681 2.465 -10.876 1.00 0.00 N ATOM 1181 CA SER A 74 -12.002 2.773 -11.412 1.00 0.00 C ATOM 1182 C SER A 74 -13.102 2.277 -10.482 1.00 0.00 C ATOM 1183 O SER A 74 -14.221 2.789 -10.502 1.00 0.00 O ATOM 1184 CB SER A 74 -12.167 2.151 -12.784 1.00 0.00 C ATOM 1185 OG SER A 74 -12.124 0.752 -12.710 1.00 0.00 O ATOM 0 H SER A 74 -10.206 1.693 -11.344 1.00 0.00 H new ATOM 0 HA SER A 74 -12.088 3.856 -11.495 1.00 0.00 H new ATOM 0 HB2 SER A 74 -13.115 2.467 -13.219 1.00 0.00 H new ATOM 0 HB3 SER A 74 -11.378 2.508 -13.446 1.00 0.00 H new ATOM 0 HG SER A 74 -12.944 0.379 -13.096 1.00 0.00 H new ATOM 1191 N GLY A 75 -12.778 1.277 -9.671 1.00 0.00 N ATOM 1192 CA GLY A 75 -13.754 0.668 -8.777 1.00 0.00 C ATOM 1193 C GLY A 75 -14.552 -0.417 -9.488 1.00 0.00 C ATOM 1194 O GLY A 75 -15.679 -0.729 -9.100 1.00 0.00 O ATOM 0 H GLY A 75 -11.844 0.870 -9.614 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -13.243 0.241 -7.914 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -14.432 1.433 -8.399 1.00 0.00 H new ATOM 1198 N GLY A 76 -13.962 -0.990 -10.531 1.00 0.00 N ATOM 1199 CA GLY A 76 -14.634 -2.013 -11.325 1.00 0.00 C ATOM 1200 C GLY A 76 -13.965 -2.182 -12.684 1.00 0.00 C ATOM 1201 O GLY A 76 -13.408 -1.233 -13.235 1.00 0.00 O ATOM 0 H GLY A 76 -13.019 -0.764 -10.847 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -14.619 -2.962 -10.789 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -15.681 -1.741 -11.463 1.00 0.00 H new ATOM 1205 N PRO A 77 -14.024 -3.396 -13.219 1.00 0.00 N ATOM 1206 CA PRO A 77 -13.394 -3.701 -14.498 1.00 0.00 C ATOM 1207 C PRO A 77 -14.168 -3.082 -15.654 1.00 0.00 C ATOM 1208 O PRO A 77 -13.632 -2.903 -16.748 1.00 0.00 O ATOM 1209 CB PRO A 77 -13.436 -5.232 -14.546 1.00 0.00 C ATOM 1210 CG PRO A 77 -14.619 -5.592 -13.713 1.00 0.00 C ATOM 1211 CD PRO A 77 -14.603 -4.592 -12.587 1.00 0.00 C ATOM 0 HA PRO A 77 -12.384 -3.301 -14.588 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -13.543 -5.596 -15.568 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -12.520 -5.668 -14.147 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -15.543 -5.529 -14.287 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -14.545 -6.613 -13.339 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -15.605 -4.401 -12.202 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -14.000 -4.938 -11.748 1.00 0.00 H new ATOM 1219 N SER A 78 -15.433 -2.754 -15.406 1.00 0.00 N ATOM 1220 CA SER A 78 -16.272 -2.118 -16.414 1.00 0.00 C ATOM 1221 C SER A 78 -16.133 -0.603 -16.370 1.00 0.00 C ATOM 1222 O SER A 78 -15.689 -0.038 -15.370 1.00 0.00 O ATOM 1223 CB SER A 78 -17.722 -2.510 -16.208 1.00 0.00 C ATOM 1224 OG SER A 78 -18.226 -1.960 -15.022 1.00 0.00 O ATOM 0 H SER A 78 -15.899 -2.919 -14.514 1.00 0.00 H new ATOM 0 HA SER A 78 -15.941 -2.462 -17.394 1.00 0.00 H new ATOM 0 HB2 SER A 78 -18.319 -2.169 -17.054 1.00 0.00 H new ATOM 0 HB3 SER A 78 -17.808 -3.596 -16.175 1.00 0.00 H new ATOM 0 HG SER A 78 -19.163 -2.225 -14.911 1.00 0.00 H new ATOM 1230 N PHE A 79 -16.517 0.053 -17.461 1.00 0.00 N ATOM 1231 CA PHE A 79 -16.428 1.505 -17.552 1.00 0.00 C ATOM 1232 C PHE A 79 -17.717 2.102 -18.104 1.00 0.00 C ATOM 1233 O PHE A 79 -18.429 1.460 -18.874 1.00 0.00 O ATOM 1234 CB PHE A 79 -15.251 1.916 -18.438 1.00 0.00 C ATOM 1235 CG PHE A 79 -13.916 1.457 -17.922 1.00 0.00 C ATOM 1236 CD1 PHE A 79 -13.363 0.261 -18.355 1.00 0.00 C ATOM 1237 CD2 PHE A 79 -13.212 2.219 -17.003 1.00 0.00 C ATOM 1238 CE1 PHE A 79 -12.136 -0.162 -17.881 1.00 0.00 C ATOM 1239 CE2 PHE A 79 -11.985 1.799 -16.529 1.00 0.00 C ATOM 1240 CZ PHE A 79 -11.447 0.606 -16.968 1.00 0.00 C ATOM 0 H PHE A 79 -16.893 -0.399 -18.294 1.00 0.00 H new ATOM 0 HA PHE A 79 -16.271 1.890 -16.544 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -15.402 1.511 -19.439 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -15.240 3.002 -18.532 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -13.897 -0.346 -19.071 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -13.628 3.152 -16.653 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -11.717 -1.095 -18.226 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -11.446 2.404 -15.815 1.00 0.00 H new ATOM 0 HZ PHE A 79 -10.488 0.275 -16.597 1.00 0.00 H new ATOM 1250 N GLY A 80 -18.011 3.335 -17.705 1.00 0.00 N ATOM 1251 CA GLY A 80 -19.213 4.022 -18.160 1.00 0.00 C ATOM 1252 C GLY A 80 -19.483 5.271 -17.330 1.00 0.00 C ATOM 1253 O GLY A 80 -18.678 5.646 -16.477 1.00 0.00 O ATOM 0 H GLY A 80 -17.432 3.879 -17.066 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -19.103 4.296 -19.209 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -20.067 3.348 -18.095 1.00 0.00 H new ATOM 1257 N PRO A 81 -20.618 5.911 -17.585 1.00 0.00 N ATOM 1258 CA PRO A 81 -21.002 7.112 -16.853 1.00 0.00 C ATOM 1259 C PRO A 81 -21.059 6.848 -15.354 1.00 0.00 C ATOM 1260 O PRO A 81 -20.049 6.836 -14.708 1.00 0.00 O ATOM 1261 CB PRO A 81 -22.387 7.436 -17.423 1.00 0.00 C ATOM 1262 CG PRO A 81 -22.364 6.848 -18.792 1.00 0.00 C ATOM 1263 CD PRO A 81 -21.587 5.569 -18.639 1.00 0.00 C ATOM 1264 OXT PRO A 81 -22.116 6.652 -14.818 1.00 0.00 O ATOM 0 HA PRO A 81 -20.294 7.933 -16.968 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -23.180 7.000 -16.815 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -22.564 8.511 -17.454 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -23.372 6.658 -19.160 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -21.886 7.520 -19.505 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -22.228 4.737 -18.347 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -21.093 5.281 -19.567 1.00 0.00 H new TER 1272 PRO A 81