USER MOD reduce.3.24.130724 H: found=0, std=0, add=798, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 799 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 TYR OH : rot -52:sc= 0.19 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 ASN :FLIP amide:sc= -0.108 F(o=-2,f=-0.11) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 ASN :FLIP amide:sc= -0.082 F(o=-0.96,f=-0.082) USER MOD Single : A 21 GLN : amide:sc= -0.0289 X(o=-0.029,f=-0.023) USER MOD Single : A 25 HIS : no HE2:sc= 0.922 K(o=0.92,f=-2.8!) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 53 THR OG1 : rot 17:sc= 0.172 USER MOD Single : A 55 GLN : amide:sc= 0.464 K(o=0.46,f=-0.36) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 HIS : +bothHN:sc= 2 K(o=2,f=-6.3!) USER MOD Single : A 60 THR OG1 : rot -147:sc= 0.957 USER MOD Single : A 61 ASN : amide:sc= -0.121 X(o=-0.12,f=-0.2) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 ASN : amide:sc= -0.21 X(o=-0.21,f=0) USER MOD Single : A 71 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 72 SER OG : rot -37:sc= 0.0206 USER MOD Single : A 73 THR OG1 : rot -47:sc= 1.5 USER MOD Single : A 74 ASN : amide:sc= -0.0184 X(o=-0.018,f=-0.018) USER MOD Single : A 77 HIS : no HE2:sc= 0.557 K(o=0.56,f=-2.3!) USER MOD Single : A 79 LYS NZ :NH3+ -144:sc= 0.389 (180deg=0.0332) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 ASN : amide:sc= -0.0129 K(o=-0.013,f=-3.7!) USER MOD Single : A 83 THR OG1 : rot -50:sc= 1.27 USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 SER OG : rot 81:sc= 0.131 USER MOD Single : A 93 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0087) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 ASN : amide:sc= -1.45 K(o=-1.5,f=-2.6) USER MOD Single : A 107 THR OG1 : rot 176:sc= 0.826 USER MOD Single : A 108 THR OG1 : rot 180:sc= 0 USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 112 TYR OH : rot 180:sc= 0 USER MOD Single : A 114 SER OG : rot -150:sc=-0.00306 USER MOD Single : A 117 ASN : amide:sc=-0.00976 K(o=-0.0098,f=-0.61) USER MOD Single : A 119 THR OG1 : rot 180:sc= 0 USER MOD Single : A 120 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 27 N PRO A 2 16.639 -7.403 15.611 1.00 0.00 N ATOM 28 CA PRO A 2 16.187 -8.642 14.964 1.00 0.00 C ATOM 29 C PRO A 2 17.044 -8.996 13.733 1.00 0.00 C ATOM 30 O PRO A 2 17.472 -10.141 13.578 1.00 0.00 O ATOM 31 CB PRO A 2 14.723 -8.392 14.589 1.00 0.00 C ATOM 32 CG PRO A 2 14.635 -6.878 14.404 1.00 0.00 C ATOM 33 CD PRO A 2 15.653 -6.339 15.411 1.00 0.00 C ATOM 0 HA PRO A 2 16.288 -9.499 15.630 1.00 0.00 H new ATOM 0 HB2 PRO A 2 14.450 -8.921 13.676 1.00 0.00 H new ATOM 0 HB3 PRO A 2 14.047 -8.737 15.371 1.00 0.00 H new ATOM 0 HG2 PRO A 2 14.883 -6.583 13.385 1.00 0.00 H new ATOM 0 HG3 PRO A 2 13.631 -6.506 14.609 1.00 0.00 H new ATOM 0 HD2 PRO A 2 16.129 -5.434 15.035 1.00 0.00 H new ATOM 0 HD3 PRO A 2 15.168 -6.077 16.351 1.00 0.00 H new ATOM 41 N CYS A 3 17.288 -8.009 12.863 1.00 0.00 N ATOM 42 CA CYS A 3 17.978 -8.126 11.570 1.00 0.00 C ATOM 43 C CYS A 3 18.817 -6.861 11.281 1.00 0.00 C ATOM 44 O CYS A 3 18.867 -5.940 12.103 1.00 0.00 O ATOM 45 CB CYS A 3 16.955 -8.405 10.440 1.00 0.00 C ATOM 46 SG CYS A 3 15.387 -9.171 10.953 1.00 0.00 S ATOM 0 H CYS A 3 16.993 -7.051 13.052 1.00 0.00 H new ATOM 0 HA CYS A 3 18.667 -8.970 11.613 1.00 0.00 H new ATOM 0 HB2 CYS A 3 16.730 -7.463 9.941 1.00 0.00 H new ATOM 0 HB3 CYS A 3 17.428 -9.052 9.701 1.00 0.00 H new ATOM 51 N LYS A 4 19.475 -6.804 10.116 1.00 0.00 N ATOM 52 CA LYS A 4 20.278 -5.661 9.645 1.00 0.00 C ATOM 53 C LYS A 4 19.531 -4.900 8.547 1.00 0.00 C ATOM 54 O LYS A 4 19.132 -5.503 7.550 1.00 0.00 O ATOM 55 CB LYS A 4 21.627 -6.166 9.103 1.00 0.00 C ATOM 56 CG LYS A 4 22.468 -7.006 10.083 1.00 0.00 C ATOM 57 CD LYS A 4 22.941 -6.268 11.346 1.00 0.00 C ATOM 58 CE LYS A 4 23.941 -5.153 11.008 1.00 0.00 C ATOM 59 NZ LYS A 4 24.510 -4.534 12.235 1.00 0.00 N ATOM 0 H LYS A 4 19.465 -7.577 9.451 1.00 0.00 H new ATOM 0 HA LYS A 4 20.452 -4.985 10.482 1.00 0.00 H new ATOM 0 HB2 LYS A 4 21.439 -6.763 8.211 1.00 0.00 H new ATOM 0 HB3 LYS A 4 22.218 -5.305 8.792 1.00 0.00 H new ATOM 0 HG2 LYS A 4 21.882 -7.873 10.387 1.00 0.00 H new ATOM 0 HG3 LYS A 4 23.343 -7.383 9.554 1.00 0.00 H new ATOM 0 HD2 LYS A 4 22.081 -5.842 11.863 1.00 0.00 H new ATOM 0 HD3 LYS A 4 23.405 -6.978 12.031 1.00 0.00 H new ATOM 0 HE2 LYS A 4 24.748 -5.560 10.398 1.00 0.00 H new ATOM 0 HE3 LYS A 4 23.445 -4.388 10.411 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 25.181 -3.786 11.967 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 23.743 -4.124 12.805 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 25.005 -5.259 12.792 1.00 0.00 H new ATOM 73 N TYR A 5 19.375 -3.586 8.707 1.00 0.00 N ATOM 74 CA TYR A 5 18.693 -2.697 7.753 1.00 0.00 C ATOM 75 C TYR A 5 19.489 -1.401 7.491 1.00 0.00 C ATOM 76 O TYR A 5 20.390 -1.048 8.258 1.00 0.00 O ATOM 77 CB TYR A 5 17.279 -2.352 8.255 1.00 0.00 C ATOM 78 CG TYR A 5 16.360 -3.515 8.600 1.00 0.00 C ATOM 79 CD1 TYR A 5 16.375 -4.047 9.906 1.00 0.00 C ATOM 80 CD2 TYR A 5 15.431 -4.008 7.658 1.00 0.00 C ATOM 81 CE1 TYR A 5 15.439 -5.027 10.288 1.00 0.00 C ATOM 82 CE2 TYR A 5 14.481 -4.971 8.048 1.00 0.00 C ATOM 83 CZ TYR A 5 14.476 -5.481 9.361 1.00 0.00 C ATOM 84 OH TYR A 5 13.539 -6.399 9.725 1.00 0.00 O ATOM 0 H TYR A 5 19.728 -3.092 9.526 1.00 0.00 H new ATOM 0 HA TYR A 5 18.622 -3.237 6.809 1.00 0.00 H new ATOM 0 HB2 TYR A 5 17.379 -1.726 9.142 1.00 0.00 H new ATOM 0 HB3 TYR A 5 16.788 -1.748 7.492 1.00 0.00 H new ATOM 0 HD1 TYR A 5 17.109 -3.700 10.618 1.00 0.00 H new ATOM 0 HD2 TYR A 5 15.449 -3.647 6.640 1.00 0.00 H new ATOM 0 HE1 TYR A 5 15.458 -5.431 11.289 1.00 0.00 H new ATOM 0 HE2 TYR A 5 13.750 -5.322 7.335 1.00 0.00 H new ATOM 0 HH TYR A 5 13.980 -7.172 10.135 1.00 0.00 H new ATOM 94 N LYS A 6 19.136 -0.682 6.417 1.00 0.00 N ATOM 95 CA LYS A 6 19.747 0.581 5.959 1.00 0.00 C ATOM 96 C LYS A 6 18.768 1.764 6.009 1.00 0.00 C ATOM 97 O LYS A 6 17.549 1.591 5.928 1.00 0.00 O ATOM 98 CB LYS A 6 20.376 0.370 4.565 1.00 0.00 C ATOM 99 CG LYS A 6 19.351 0.126 3.438 1.00 0.00 C ATOM 100 CD LYS A 6 19.721 -1.034 2.496 1.00 0.00 C ATOM 101 CE LYS A 6 20.962 -0.724 1.650 1.00 0.00 C ATOM 102 NZ LYS A 6 21.210 -1.786 0.639 1.00 0.00 N ATOM 0 H LYS A 6 18.374 -0.980 5.808 1.00 0.00 H new ATOM 0 HA LYS A 6 20.543 0.856 6.651 1.00 0.00 H new ATOM 0 HB2 LYS A 6 20.975 1.245 4.313 1.00 0.00 H new ATOM 0 HB3 LYS A 6 21.057 -0.480 4.611 1.00 0.00 H new ATOM 0 HG2 LYS A 6 18.378 -0.078 3.884 1.00 0.00 H new ATOM 0 HG3 LYS A 6 19.248 1.039 2.851 1.00 0.00 H new ATOM 0 HD2 LYS A 6 19.901 -1.934 3.085 1.00 0.00 H new ATOM 0 HD3 LYS A 6 18.879 -1.247 1.837 1.00 0.00 H new ATOM 0 HE2 LYS A 6 20.832 0.235 1.148 1.00 0.00 H new ATOM 0 HE3 LYS A 6 21.832 -0.628 2.300 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 22.056 -1.546 0.084 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 21.358 -2.696 1.120 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 20.389 -1.860 0.005 1.00 0.00 H new ATOM 116 N LEU A 7 19.323 2.967 6.158 1.00 0.00 N ATOM 117 CA LEU A 7 18.623 4.218 6.479 1.00 0.00 C ATOM 118 C LEU A 7 18.068 4.902 5.207 1.00 0.00 C ATOM 119 O LEU A 7 18.844 5.348 4.356 1.00 0.00 O ATOM 120 CB LEU A 7 19.631 5.108 7.253 1.00 0.00 C ATOM 121 CG LEU A 7 19.073 6.217 8.166 1.00 0.00 C ATOM 122 CD1 LEU A 7 18.176 7.212 7.438 1.00 0.00 C ATOM 123 CD2 LEU A 7 18.306 5.645 9.360 1.00 0.00 C ATOM 0 H LEU A 7 20.328 3.106 6.053 1.00 0.00 H new ATOM 0 HA LEU A 7 17.746 4.030 7.098 1.00 0.00 H new ATOM 0 HB2 LEU A 7 20.251 4.453 7.865 1.00 0.00 H new ATOM 0 HB3 LEU A 7 20.289 5.578 6.522 1.00 0.00 H new ATOM 0 HG LEU A 7 19.955 6.752 8.517 1.00 0.00 H new ATOM 0 HD11 LEU A 7 17.820 7.964 8.142 1.00 0.00 H new ATOM 0 HD12 LEU A 7 18.742 7.699 6.644 1.00 0.00 H new ATOM 0 HD13 LEU A 7 17.324 6.686 7.007 1.00 0.00 H new ATOM 0 HD21 LEU A 7 17.931 6.462 9.976 1.00 0.00 H new ATOM 0 HD22 LEU A 7 17.469 5.046 9.002 1.00 0.00 H new ATOM 0 HD23 LEU A 7 18.972 5.019 9.954 1.00 0.00 H new ATOM 135 N LYS A 8 16.735 4.992 5.066 1.00 0.00 N ATOM 136 CA LYS A 8 16.032 5.635 3.942 1.00 0.00 C ATOM 137 C LYS A 8 14.828 6.480 4.407 1.00 0.00 C ATOM 138 O LYS A 8 13.767 5.946 4.727 1.00 0.00 O ATOM 139 CB LYS A 8 15.639 4.542 2.923 1.00 0.00 C ATOM 140 CG LYS A 8 14.941 5.074 1.657 1.00 0.00 C ATOM 141 CD LYS A 8 15.814 6.009 0.804 1.00 0.00 C ATOM 142 CE LYS A 8 16.978 5.308 0.084 1.00 0.00 C ATOM 143 NZ LYS A 8 16.513 4.444 -1.035 1.00 0.00 N ATOM 0 H LYS A 8 16.093 4.605 5.757 1.00 0.00 H new ATOM 0 HA LYS A 8 16.699 6.348 3.458 1.00 0.00 H new ATOM 0 HB2 LYS A 8 16.536 3.999 2.627 1.00 0.00 H new ATOM 0 HB3 LYS A 8 14.980 3.826 3.413 1.00 0.00 H new ATOM 0 HG2 LYS A 8 14.628 4.228 1.045 1.00 0.00 H new ATOM 0 HG3 LYS A 8 14.036 5.607 1.951 1.00 0.00 H new ATOM 0 HD2 LYS A 8 15.184 6.497 0.061 1.00 0.00 H new ATOM 0 HD3 LYS A 8 16.218 6.794 1.444 1.00 0.00 H new ATOM 0 HE2 LYS A 8 17.668 6.058 -0.302 1.00 0.00 H new ATOM 0 HE3 LYS A 8 17.534 4.703 0.800 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 17.333 3.993 -1.489 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 15.875 3.710 -0.665 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 16.006 5.024 -1.734 1.00 0.00 H new ATOM 157 N LYS A 9 14.983 7.809 4.437 1.00 0.00 N ATOM 158 CA LYS A 9 13.930 8.780 4.810 1.00 0.00 C ATOM 159 C LYS A 9 13.590 9.708 3.640 1.00 0.00 C ATOM 160 O LYS A 9 14.484 10.142 2.909 1.00 0.00 O ATOM 161 CB LYS A 9 14.361 9.594 6.046 1.00 0.00 C ATOM 162 CG LYS A 9 14.686 8.750 7.292 1.00 0.00 C ATOM 163 CD LYS A 9 13.464 8.044 7.903 1.00 0.00 C ATOM 164 CE LYS A 9 13.848 7.007 8.970 1.00 0.00 C ATOM 165 NZ LYS A 9 14.577 7.603 10.125 1.00 0.00 N ATOM 0 H LYS A 9 15.867 8.258 4.197 1.00 0.00 H new ATOM 0 HA LYS A 9 13.029 8.220 5.061 1.00 0.00 H new ATOM 0 HB2 LYS A 9 15.239 10.186 5.786 1.00 0.00 H new ATOM 0 HB3 LYS A 9 13.566 10.296 6.297 1.00 0.00 H new ATOM 0 HG2 LYS A 9 15.431 8.000 7.026 1.00 0.00 H new ATOM 0 HG3 LYS A 9 15.137 9.394 8.047 1.00 0.00 H new ATOM 0 HD2 LYS A 9 12.804 8.789 8.348 1.00 0.00 H new ATOM 0 HD3 LYS A 9 12.900 7.552 7.110 1.00 0.00 H new ATOM 0 HE2 LYS A 9 12.945 6.515 9.332 1.00 0.00 H new ATOM 0 HE3 LYS A 9 14.470 6.237 8.513 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 14.809 6.857 10.811 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 15.454 8.050 9.789 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 13.977 8.319 10.582 1.00 0.00 H new ATOM 179 N SER A 10 12.303 10.016 3.486 1.00 0.00 N ATOM 180 CA SER A 10 11.735 10.798 2.376 1.00 0.00 C ATOM 181 C SER A 10 10.529 11.633 2.835 1.00 0.00 C ATOM 182 O SER A 10 9.956 11.377 3.896 1.00 0.00 O ATOM 183 CB SER A 10 11.290 9.837 1.260 1.00 0.00 C ATOM 184 OG SER A 10 12.391 9.132 0.704 1.00 0.00 O ATOM 0 H SER A 10 11.594 9.718 4.156 1.00 0.00 H new ATOM 0 HA SER A 10 12.502 11.481 2.011 1.00 0.00 H new ATOM 0 HB2 SER A 10 10.567 9.126 1.659 1.00 0.00 H new ATOM 0 HB3 SER A 10 10.784 10.400 0.475 1.00 0.00 H new ATOM 0 HG SER A 10 12.072 8.530 -0.000 1.00 0.00 H new ATOM 190 N THR A 11 10.098 12.603 2.022 1.00 0.00 N ATOM 191 CA THR A 11 8.914 13.432 2.316 1.00 0.00 C ATOM 192 C THR A 11 8.092 13.689 1.054 1.00 0.00 C ATOM 193 O THR A 11 8.501 14.471 0.194 1.00 0.00 O ATOM 194 CB THR A 11 9.266 14.765 3.001 1.00 0.00 C ATOM 195 OG1 THR A 11 10.213 14.601 4.039 1.00 0.00 O ATOM 196 CG2 THR A 11 7.997 15.328 3.639 1.00 0.00 C ATOM 0 H THR A 11 10.556 12.839 1.142 1.00 0.00 H new ATOM 0 HA THR A 11 8.314 12.858 3.022 1.00 0.00 H new ATOM 0 HB THR A 11 9.685 15.425 2.241 1.00 0.00 H new ATOM 0 HG1 THR A 11 10.408 15.472 4.444 1.00 0.00 H new ATOM 0 HG21 THR A 11 8.226 16.274 4.130 1.00 0.00 H new ATOM 0 HG22 THR A 11 7.244 15.492 2.868 1.00 0.00 H new ATOM 0 HG23 THR A 11 7.615 14.620 4.375 1.00 0.00 H new ATOM 204 N ASN A 12 6.963 12.988 0.907 1.00 0.00 N ATOM 205 CA ASN A 12 6.166 12.927 -0.331 1.00 0.00 C ATOM 206 C ASN A 12 4.810 12.213 -0.148 1.00 0.00 C ATOM 207 O ASN A 12 4.562 11.584 0.878 1.00 0.00 O ATOM 208 CB ASN A 12 7.004 12.238 -1.434 1.00 0.00 C ATOM 209 CG ASN A 12 7.713 10.961 -1.011 1.00 0.00 C ATOM 210 OD1 ASN A 12 7.061 10.057 -0.322 1.00 0.00 O flip ATOM 211 ND2 ASN A 12 8.882 10.755 -1.296 1.00 0.00 N flip ATOM 0 H ASN A 12 6.565 12.431 1.663 1.00 0.00 H new ATOM 0 HA ASN A 12 5.925 13.950 -0.621 1.00 0.00 H new ATOM 0 HB2 ASN A 12 6.349 12.009 -2.275 1.00 0.00 H new ATOM 0 HB3 ASN A 12 7.750 12.946 -1.795 1.00 0.00 H new ATOM 0 HD21 ASN A 12 9.406 11.447 -1.832 1.00 0.00 H new ATOM 0 HD22 ASN A 12 9.335 9.891 -0.998 1.00 0.00 H new ATOM 218 N LYS A 13 3.954 12.288 -1.173 1.00 0.00 N ATOM 219 CA LYS A 13 2.708 11.520 -1.363 1.00 0.00 C ATOM 220 C LYS A 13 2.921 10.002 -1.455 1.00 0.00 C ATOM 221 O LYS A 13 4.046 9.515 -1.580 1.00 0.00 O ATOM 222 CB LYS A 13 1.951 12.049 -2.602 1.00 0.00 C ATOM 223 CG LYS A 13 2.793 12.403 -3.835 1.00 0.00 C ATOM 224 CD LYS A 13 3.047 13.917 -3.910 1.00 0.00 C ATOM 225 CE LYS A 13 3.868 14.271 -5.157 1.00 0.00 C ATOM 226 NZ LYS A 13 4.183 15.724 -5.207 1.00 0.00 N ATOM 0 H LYS A 13 4.121 12.930 -1.948 1.00 0.00 H new ATOM 0 HA LYS A 13 2.106 11.674 -0.468 1.00 0.00 H new ATOM 0 HB2 LYS A 13 1.218 11.298 -2.897 1.00 0.00 H new ATOM 0 HB3 LYS A 13 1.395 12.938 -2.305 1.00 0.00 H new ATOM 0 HG2 LYS A 13 3.744 11.872 -3.795 1.00 0.00 H new ATOM 0 HG3 LYS A 13 2.280 12.071 -4.738 1.00 0.00 H new ATOM 0 HD2 LYS A 13 2.096 14.449 -3.932 1.00 0.00 H new ATOM 0 HD3 LYS A 13 3.576 14.246 -3.015 1.00 0.00 H new ATOM 0 HE2 LYS A 13 4.794 13.696 -5.159 1.00 0.00 H new ATOM 0 HE3 LYS A 13 3.314 13.987 -6.052 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 4.739 15.930 -6.062 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 3.298 16.270 -5.229 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 4.733 15.989 -4.365 1.00 0.00 H new ATOM 240 N PHE A 14 1.816 9.262 -1.452 1.00 0.00 N ATOM 241 CA PHE A 14 1.749 7.801 -1.547 1.00 0.00 C ATOM 242 C PHE A 14 0.560 7.348 -2.407 1.00 0.00 C ATOM 243 O PHE A 14 -0.489 7.995 -2.447 1.00 0.00 O ATOM 244 CB PHE A 14 1.683 7.188 -0.133 1.00 0.00 C ATOM 245 CG PHE A 14 0.659 7.826 0.797 1.00 0.00 C ATOM 246 CD1 PHE A 14 -0.714 7.529 0.674 1.00 0.00 C ATOM 247 CD2 PHE A 14 1.081 8.748 1.774 1.00 0.00 C ATOM 248 CE1 PHE A 14 -1.657 8.192 1.481 1.00 0.00 C ATOM 249 CE2 PHE A 14 0.138 9.390 2.595 1.00 0.00 C ATOM 250 CZ PHE A 14 -1.233 9.144 2.424 1.00 0.00 C ATOM 0 H PHE A 14 0.891 9.686 -1.379 1.00 0.00 H new ATOM 0 HA PHE A 14 2.653 7.444 -2.041 1.00 0.00 H new ATOM 0 HB2 PHE A 14 1.457 6.126 -0.224 1.00 0.00 H new ATOM 0 HB3 PHE A 14 2.668 7.266 0.327 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -1.043 6.790 -0.042 1.00 0.00 H new ATOM 0 HD2 PHE A 14 2.133 8.963 1.893 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -2.708 7.969 1.376 1.00 0.00 H new ATOM 0 HE2 PHE A 14 0.470 10.076 3.361 1.00 0.00 H new ATOM 0 HZ PHE A 14 -1.959 9.684 3.014 1.00 0.00 H new ATOM 260 N CYS A 15 0.723 6.235 -3.122 1.00 0.00 N ATOM 261 CA CYS A 15 -0.330 5.629 -3.938 1.00 0.00 C ATOM 262 C CYS A 15 -0.891 4.369 -3.267 1.00 0.00 C ATOM 263 O CYS A 15 -0.161 3.593 -2.644 1.00 0.00 O ATOM 264 CB CYS A 15 0.186 5.343 -5.355 1.00 0.00 C ATOM 265 SG CYS A 15 -1.142 4.936 -6.527 1.00 0.00 S ATOM 0 H CYS A 15 1.604 5.721 -3.151 1.00 0.00 H new ATOM 0 HA CYS A 15 -1.154 6.338 -4.024 1.00 0.00 H new ATOM 0 HB2 CYS A 15 0.730 6.214 -5.720 1.00 0.00 H new ATOM 0 HB3 CYS A 15 0.895 4.516 -5.317 1.00 0.00 H new ATOM 270 N VAL A 16 -2.196 4.161 -3.432 1.00 0.00 N ATOM 271 CA VAL A 16 -2.996 3.076 -2.819 1.00 0.00 C ATOM 272 C VAL A 16 -4.160 2.636 -3.732 1.00 0.00 C ATOM 273 O VAL A 16 -4.324 3.178 -4.825 1.00 0.00 O ATOM 274 CB VAL A 16 -3.532 3.498 -1.431 1.00 0.00 C ATOM 275 CG1 VAL A 16 -2.460 3.655 -0.357 1.00 0.00 C ATOM 276 CG2 VAL A 16 -4.342 4.794 -1.474 1.00 0.00 C ATOM 0 H VAL A 16 -2.762 4.769 -4.024 1.00 0.00 H new ATOM 0 HA VAL A 16 -2.331 2.222 -2.691 1.00 0.00 H new ATOM 0 HB VAL A 16 -4.174 2.661 -1.157 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -2.927 3.952 0.582 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -1.941 2.706 -0.220 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -1.746 4.418 -0.665 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -4.691 5.038 -0.471 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -3.714 5.603 -1.847 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -5.199 4.666 -2.135 1.00 0.00 H new ATOM 286 N THR A 17 -4.998 1.686 -3.292 1.00 0.00 N ATOM 287 CA THR A 17 -6.204 1.212 -4.016 1.00 0.00 C ATOM 288 C THR A 17 -7.455 1.248 -3.128 1.00 0.00 C ATOM 289 O THR A 17 -7.502 0.562 -2.107 1.00 0.00 O ATOM 290 CB THR A 17 -6.014 -0.221 -4.545 1.00 0.00 C ATOM 291 OG1 THR A 17 -4.726 -0.422 -5.084 1.00 0.00 O ATOM 292 CG2 THR A 17 -7.007 -0.586 -5.639 1.00 0.00 C ATOM 0 H THR A 17 -4.859 1.209 -2.401 1.00 0.00 H new ATOM 0 HA THR A 17 -6.344 1.894 -4.854 1.00 0.00 H new ATOM 0 HB THR A 17 -6.172 -0.854 -3.672 1.00 0.00 H new ATOM 0 HG1 THR A 17 -4.647 -1.344 -5.407 1.00 0.00 H new ATOM 0 HG21 THR A 17 -6.823 -1.608 -5.971 1.00 0.00 H new ATOM 0 HG22 THR A 17 -8.022 -0.508 -5.250 1.00 0.00 H new ATOM 0 HG23 THR A 17 -6.888 0.096 -6.481 1.00 0.00 H new ATOM 300 N CYS A 18 -8.466 2.048 -3.494 1.00 0.00 N ATOM 301 CA CYS A 18 -9.746 2.148 -2.782 1.00 0.00 C ATOM 302 C CYS A 18 -10.730 1.073 -3.235 1.00 0.00 C ATOM 303 O CYS A 18 -11.005 0.939 -4.426 1.00 0.00 O ATOM 304 CB CYS A 18 -10.380 3.514 -3.024 1.00 0.00 C ATOM 305 SG CYS A 18 -11.775 3.911 -1.956 1.00 0.00 S ATOM 0 H CYS A 18 -8.415 2.656 -4.311 1.00 0.00 H new ATOM 0 HA CYS A 18 -9.533 2.009 -1.722 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -9.615 4.280 -2.896 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -10.711 3.565 -4.061 1.00 0.00 H new ATOM 310 N GLU A 19 -11.309 0.358 -2.278 1.00 0.00 N ATOM 311 CA GLU A 19 -12.338 -0.655 -2.495 1.00 0.00 C ATOM 312 C GLU A 19 -13.450 -0.472 -1.455 1.00 0.00 C ATOM 313 O GLU A 19 -13.222 -0.630 -0.256 1.00 0.00 O ATOM 314 CB GLU A 19 -11.711 -2.059 -2.441 1.00 0.00 C ATOM 315 CG GLU A 19 -12.655 -3.109 -3.040 1.00 0.00 C ATOM 316 CD GLU A 19 -12.130 -4.540 -2.815 1.00 0.00 C ATOM 317 OE1 GLU A 19 -11.193 -4.973 -3.529 1.00 0.00 O ATOM 318 OE2 GLU A 19 -12.676 -5.249 -1.936 1.00 0.00 O ATOM 0 H GLU A 19 -11.067 0.471 -1.294 1.00 0.00 H new ATOM 0 HA GLU A 19 -12.782 -0.541 -3.484 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -10.767 -2.060 -2.987 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -11.482 -2.319 -1.407 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -13.643 -3.009 -2.591 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -12.771 -2.927 -4.109 1.00 0.00 H new ATOM 325 N ASN A 20 -14.649 -0.103 -1.914 1.00 0.00 N ATOM 326 CA ASN A 20 -15.794 0.276 -1.069 1.00 0.00 C ATOM 327 C ASN A 20 -15.465 1.459 -0.122 1.00 0.00 C ATOM 328 O ASN A 20 -15.629 1.384 1.098 1.00 0.00 O ATOM 329 CB ASN A 20 -16.392 -0.965 -0.365 1.00 0.00 C ATOM 330 CG ASN A 20 -17.105 -1.926 -1.301 1.00 0.00 C ATOM 331 OD1 ASN A 20 -16.391 -2.646 -2.139 1.00 0.00 O flip ATOM 332 ND2 ASN A 20 -18.322 -2.043 -1.293 1.00 0.00 N flip ATOM 0 H ASN A 20 -14.860 -0.057 -2.911 1.00 0.00 H new ATOM 0 HA ASN A 20 -16.583 0.664 -1.713 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -15.592 -1.500 0.147 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -17.093 -0.632 0.400 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -18.883 -1.489 -0.647 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -18.776 -2.695 -1.933 1.00 0.00 H new ATOM 339 N GLN A 21 -15.043 2.583 -0.718 1.00 0.00 N ATOM 340 CA GLN A 21 -14.849 3.909 -0.099 1.00 0.00 C ATOM 341 C GLN A 21 -13.748 3.963 0.980 1.00 0.00 C ATOM 342 O GLN A 21 -13.794 4.799 1.887 1.00 0.00 O ATOM 343 CB GLN A 21 -16.187 4.488 0.406 1.00 0.00 C ATOM 344 CG GLN A 21 -17.313 4.489 -0.638 1.00 0.00 C ATOM 345 CD GLN A 21 -18.286 3.330 -0.463 1.00 0.00 C ATOM 346 OE1 GLN A 21 -18.915 3.137 0.568 1.00 0.00 O ATOM 347 NE2 GLN A 21 -18.479 2.531 -1.484 1.00 0.00 N ATOM 0 H GLN A 21 -14.812 2.595 -1.711 1.00 0.00 H new ATOM 0 HA GLN A 21 -14.475 4.550 -0.897 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -16.513 3.914 1.273 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -16.021 5.511 0.745 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -17.861 5.429 -0.573 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -16.876 4.443 -1.636 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -17.963 2.678 -2.351 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -19.146 1.762 -1.411 1.00 0.00 H new ATOM 356 N ALA A 22 -12.758 3.070 0.898 1.00 0.00 N ATOM 357 CA ALA A 22 -11.673 2.937 1.852 1.00 0.00 C ATOM 358 C ALA A 22 -10.484 2.207 1.190 1.00 0.00 C ATOM 359 O ALA A 22 -10.688 1.218 0.480 1.00 0.00 O ATOM 360 CB ALA A 22 -12.218 2.167 3.059 1.00 0.00 C ATOM 0 H ALA A 22 -12.695 2.398 0.133 1.00 0.00 H new ATOM 0 HA ALA A 22 -11.306 3.909 2.180 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -11.428 2.047 3.801 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -13.048 2.720 3.499 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -12.566 1.185 2.737 1.00 0.00 H new ATOM 366 N PRO A 23 -9.246 2.695 1.356 1.00 0.00 N ATOM 367 CA PRO A 23 -8.051 2.071 0.796 1.00 0.00 C ATOM 368 C PRO A 23 -7.609 0.810 1.556 1.00 0.00 C ATOM 369 O PRO A 23 -7.118 0.874 2.681 1.00 0.00 O ATOM 370 CB PRO A 23 -7.012 3.184 0.766 1.00 0.00 C ATOM 371 CG PRO A 23 -7.396 4.053 1.957 1.00 0.00 C ATOM 372 CD PRO A 23 -8.917 3.978 1.954 1.00 0.00 C ATOM 0 HA PRO A 23 -8.227 1.677 -0.205 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -6.000 2.792 0.864 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -7.048 3.743 -0.169 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -6.974 3.673 2.887 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -7.041 5.077 1.841 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -9.315 4.052 2.966 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -9.348 4.799 1.381 1.00 0.00 H new ATOM 380 N VAL A 24 -7.768 -0.354 0.916 1.00 0.00 N ATOM 381 CA VAL A 24 -7.410 -1.690 1.427 1.00 0.00 C ATOM 382 C VAL A 24 -6.177 -2.275 0.720 1.00 0.00 C ATOM 383 O VAL A 24 -5.964 -3.483 0.768 1.00 0.00 O ATOM 384 CB VAL A 24 -8.617 -2.666 1.403 1.00 0.00 C ATOM 385 CG1 VAL A 24 -9.894 -2.028 1.963 1.00 0.00 C ATOM 386 CG2 VAL A 24 -8.985 -3.188 0.010 1.00 0.00 C ATOM 0 H VAL A 24 -8.170 -0.396 -0.020 1.00 0.00 H new ATOM 0 HA VAL A 24 -7.133 -1.559 2.473 1.00 0.00 H new ATOM 0 HB VAL A 24 -8.270 -3.493 2.023 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -10.709 -2.751 1.924 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -9.726 -1.725 2.997 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -10.156 -1.154 1.367 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -9.838 -3.862 0.088 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -9.243 -2.349 -0.636 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -8.136 -3.724 -0.414 1.00 0.00 H new ATOM 396 N HIS A 25 -5.367 -1.464 0.020 1.00 0.00 N ATOM 397 CA HIS A 25 -4.152 -1.936 -0.671 1.00 0.00 C ATOM 398 C HIS A 25 -3.130 -0.813 -0.814 1.00 0.00 C ATOM 399 O HIS A 25 -3.506 0.314 -1.135 1.00 0.00 O ATOM 400 CB HIS A 25 -4.529 -2.439 -2.073 1.00 0.00 C ATOM 401 CG HIS A 25 -3.648 -3.529 -2.621 1.00 0.00 C ATOM 402 ND1 HIS A 25 -2.488 -3.371 -3.357 1.00 0.00 N ATOM 403 CD2 HIS A 25 -3.918 -4.863 -2.543 1.00 0.00 C ATOM 404 CE1 HIS A 25 -2.064 -4.596 -3.726 1.00 0.00 C ATOM 405 NE2 HIS A 25 -2.929 -5.519 -3.254 1.00 0.00 N ATOM 0 H HIS A 25 -5.534 -0.463 -0.084 1.00 0.00 H new ATOM 0 HA HIS A 25 -3.713 -2.739 -0.079 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -5.556 -2.803 -2.047 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -4.507 -1.595 -2.762 1.00 0.00 H new ATOM 0 HD1 HIS A 25 -2.034 -2.485 -3.581 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -4.747 -5.321 -2.024 1.00 0.00 H new ATOM 0 HE1 HIS A 25 -1.177 -4.805 -4.305 1.00 0.00 H new ATOM 414 N PHE A 26 -1.845 -1.117 -0.653 1.00 0.00 N ATOM 415 CA PHE A 26 -0.755 -0.191 -0.980 1.00 0.00 C ATOM 416 C PHE A 26 -0.404 -0.287 -2.477 1.00 0.00 C ATOM 417 O PHE A 26 -0.655 -1.318 -3.104 1.00 0.00 O ATOM 418 CB PHE A 26 0.438 -0.528 -0.061 1.00 0.00 C ATOM 419 CG PHE A 26 1.620 0.428 -0.079 1.00 0.00 C ATOM 420 CD1 PHE A 26 1.427 1.826 -0.106 1.00 0.00 C ATOM 421 CD2 PHE A 26 2.932 -0.086 -0.011 1.00 0.00 C ATOM 422 CE1 PHE A 26 2.534 2.692 -0.139 1.00 0.00 C ATOM 423 CE2 PHE A 26 4.037 0.782 -0.040 1.00 0.00 C ATOM 424 CZ PHE A 26 3.835 2.167 -0.119 1.00 0.00 C ATOM 0 H PHE A 26 -1.525 -2.015 -0.291 1.00 0.00 H new ATOM 0 HA PHE A 26 -1.048 0.844 -0.806 1.00 0.00 H new ATOM 0 HB2 PHE A 26 0.069 -0.590 0.963 1.00 0.00 H new ATOM 0 HB3 PHE A 26 0.802 -1.520 -0.329 1.00 0.00 H new ATOM 0 HD1 PHE A 26 0.426 2.232 -0.101 1.00 0.00 H new ATOM 0 HD2 PHE A 26 3.088 -1.152 0.064 1.00 0.00 H new ATOM 0 HE1 PHE A 26 2.383 3.761 -0.180 1.00 0.00 H new ATOM 0 HE2 PHE A 26 5.040 0.383 -0.001 1.00 0.00 H new ATOM 0 HZ PHE A 26 4.684 2.833 -0.165 1.00 0.00 H new ATOM 434 N VAL A 27 0.149 0.774 -3.074 1.00 0.00 N ATOM 435 CA VAL A 27 0.646 0.751 -4.470 1.00 0.00 C ATOM 436 C VAL A 27 2.070 1.302 -4.618 1.00 0.00 C ATOM 437 O VAL A 27 2.870 0.702 -5.339 1.00 0.00 O ATOM 438 CB VAL A 27 -0.321 1.475 -5.433 1.00 0.00 C ATOM 439 CG1 VAL A 27 0.186 1.494 -6.878 1.00 0.00 C ATOM 440 CG2 VAL A 27 -1.706 0.834 -5.480 1.00 0.00 C ATOM 0 H VAL A 27 0.268 1.675 -2.611 1.00 0.00 H new ATOM 0 HA VAL A 27 0.687 -0.302 -4.747 1.00 0.00 H new ATOM 0 HB VAL A 27 -0.379 2.485 -5.028 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -0.534 2.015 -7.509 1.00 0.00 H new ATOM 0 HG12 VAL A 27 1.146 2.009 -6.920 1.00 0.00 H new ATOM 0 HG13 VAL A 27 0.307 0.471 -7.235 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -2.340 1.387 -6.173 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -1.617 -0.200 -5.815 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -2.151 0.856 -4.485 1.00 0.00 H new ATOM 450 N GLY A 28 2.414 2.432 -3.987 1.00 0.00 N ATOM 451 CA GLY A 28 3.726 3.061 -4.187 1.00 0.00 C ATOM 452 C GLY A 28 3.944 4.371 -3.429 1.00 0.00 C ATOM 453 O GLY A 28 3.112 4.800 -2.631 1.00 0.00 O ATOM 0 H GLY A 28 1.805 2.928 -3.336 1.00 0.00 H new ATOM 0 HA2 GLY A 28 4.499 2.354 -3.887 1.00 0.00 H new ATOM 0 HA3 GLY A 28 3.862 3.249 -5.252 1.00 0.00 H new ATOM 457 N VAL A 29 5.089 5.005 -3.683 1.00 0.00 N ATOM 458 CA VAL A 29 5.591 6.202 -2.984 1.00 0.00 C ATOM 459 C VAL A 29 6.022 7.259 -4.000 1.00 0.00 C ATOM 460 O VAL A 29 6.923 7.019 -4.806 1.00 0.00 O ATOM 461 CB VAL A 29 6.773 5.851 -2.057 1.00 0.00 C ATOM 462 CG1 VAL A 29 7.185 7.063 -1.224 1.00 0.00 C ATOM 463 CG2 VAL A 29 6.437 4.725 -1.076 1.00 0.00 C ATOM 0 H VAL A 29 5.726 4.688 -4.414 1.00 0.00 H new ATOM 0 HA VAL A 29 4.783 6.599 -2.370 1.00 0.00 H new ATOM 0 HB VAL A 29 7.579 5.529 -2.716 1.00 0.00 H new ATOM 0 HG11 VAL A 29 8.020 6.793 -0.577 1.00 0.00 H new ATOM 0 HG12 VAL A 29 7.486 7.874 -1.887 1.00 0.00 H new ATOM 0 HG13 VAL A 29 6.343 7.388 -0.613 1.00 0.00 H new ATOM 0 HG21 VAL A 29 7.304 4.519 -0.448 1.00 0.00 H new ATOM 0 HG22 VAL A 29 5.598 5.027 -0.449 1.00 0.00 H new ATOM 0 HG23 VAL A 29 6.169 3.826 -1.632 1.00 0.00 H new ATOM 473 N GLY A 30 5.355 8.418 -4.005 1.00 0.00 N ATOM 474 CA GLY A 30 5.579 9.486 -4.996 1.00 0.00 C ATOM 475 C GLY A 30 5.136 9.150 -6.433 1.00 0.00 C ATOM 476 O GLY A 30 5.343 9.954 -7.344 1.00 0.00 O ATOM 0 H GLY A 30 4.638 8.647 -3.317 1.00 0.00 H new ATOM 0 HA2 GLY A 30 5.049 10.380 -4.669 1.00 0.00 H new ATOM 0 HA3 GLY A 30 6.641 9.732 -5.008 1.00 0.00 H new ATOM 480 N SER A 31 4.538 7.974 -6.641 1.00 0.00 N ATOM 481 CA SER A 31 4.073 7.404 -7.914 1.00 0.00 C ATOM 482 C SER A 31 3.182 6.178 -7.658 1.00 0.00 C ATOM 483 O SER A 31 3.139 5.648 -6.543 1.00 0.00 O ATOM 484 CB SER A 31 5.268 7.003 -8.799 1.00 0.00 C ATOM 485 OG SER A 31 6.035 5.965 -8.209 1.00 0.00 O ATOM 0 H SER A 31 4.350 7.343 -5.862 1.00 0.00 H new ATOM 0 HA SER A 31 3.491 8.165 -8.434 1.00 0.00 H new ATOM 0 HB2 SER A 31 4.905 6.678 -9.774 1.00 0.00 H new ATOM 0 HB3 SER A 31 5.903 7.873 -8.969 1.00 0.00 H new ATOM 0 HG SER A 31 6.783 5.735 -8.799 1.00 0.00 H new ATOM 491 N CYS A 32 2.482 5.708 -8.694 1.00 0.00 N ATOM 492 CA CYS A 32 1.727 4.456 -8.704 1.00 0.00 C ATOM 493 C CYS A 32 2.450 3.402 -9.562 1.00 0.00 C ATOM 494 O CYS A 32 2.662 3.603 -10.761 1.00 0.00 O ATOM 495 CB CYS A 32 0.313 4.723 -9.233 1.00 0.00 C ATOM 496 SG CYS A 32 -0.681 5.892 -8.268 1.00 0.00 S ATOM 0 H CYS A 32 2.425 6.209 -9.581 1.00 0.00 H new ATOM 0 HA CYS A 32 1.655 4.064 -7.689 1.00 0.00 H new ATOM 0 HB2 CYS A 32 0.392 5.098 -10.254 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -0.222 3.774 -9.282 1.00 0.00 H new ATOM 707 N ASP A 50 -8.590 -5.579 5.390 1.00 0.00 N ATOM 708 CA ASP A 50 -9.434 -4.400 5.219 1.00 0.00 C ATOM 709 C ASP A 50 -8.594 -3.125 5.434 1.00 0.00 C ATOM 710 O ASP A 50 -7.446 -3.166 5.880 1.00 0.00 O ATOM 711 CB ASP A 50 -10.606 -4.483 6.224 1.00 0.00 C ATOM 712 CG ASP A 50 -11.907 -3.856 5.691 1.00 0.00 C ATOM 713 OD1 ASP A 50 -11.862 -2.715 5.176 1.00 0.00 O ATOM 714 OD2 ASP A 50 -12.979 -4.497 5.805 1.00 0.00 O ATOM 0 HA ASP A 50 -9.841 -4.362 4.208 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -10.789 -5.528 6.473 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -10.320 -3.981 7.148 1.00 0.00 H new ATOM 719 N TRP A 51 -9.191 -1.970 5.176 1.00 0.00 N ATOM 720 CA TRP A 51 -8.682 -0.640 5.520 1.00 0.00 C ATOM 721 C TRP A 51 -8.407 -0.508 7.026 1.00 0.00 C ATOM 722 O TRP A 51 -7.423 0.110 7.443 1.00 0.00 O ATOM 723 CB TRP A 51 -9.692 0.413 5.041 1.00 0.00 C ATOM 724 CG TRP A 51 -9.785 1.646 5.885 1.00 0.00 C ATOM 725 CD1 TRP A 51 -10.794 1.942 6.736 1.00 0.00 C ATOM 726 CD2 TRP A 51 -8.812 2.724 6.018 1.00 0.00 C ATOM 727 NE1 TRP A 51 -10.526 3.146 7.360 1.00 0.00 N ATOM 728 CE2 TRP A 51 -9.322 3.677 6.944 1.00 0.00 C ATOM 729 CE3 TRP A 51 -7.537 2.976 5.472 1.00 0.00 C ATOM 730 CZ2 TRP A 51 -8.624 4.848 7.276 1.00 0.00 C ATOM 731 CZ3 TRP A 51 -6.822 4.141 5.804 1.00 0.00 C ATOM 732 CH2 TRP A 51 -7.366 5.082 6.694 1.00 0.00 C ATOM 0 H TRP A 51 -10.090 -1.928 4.696 1.00 0.00 H new ATOM 0 HA TRP A 51 -7.727 -0.482 5.019 1.00 0.00 H new ATOM 0 HB2 TRP A 51 -9.429 0.708 4.025 1.00 0.00 H new ATOM 0 HB3 TRP A 51 -10.678 -0.049 4.994 1.00 0.00 H new ATOM 0 HD1 TRP A 51 -11.671 1.334 6.902 1.00 0.00 H new ATOM 0 HE1 TRP A 51 -11.142 3.587 8.043 1.00 0.00 H new ATOM 0 HE3 TRP A 51 -7.102 2.263 4.787 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 -9.047 5.560 7.969 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 -5.848 4.313 5.371 1.00 0.00 H new ATOM 0 HH2 TRP A 51 -6.819 5.983 6.930 1.00 0.00 H new ATOM 743 N LEU A 52 -9.263 -1.116 7.854 1.00 0.00 N ATOM 744 CA LEU A 52 -9.157 -1.100 9.313 1.00 0.00 C ATOM 745 C LEU A 52 -7.818 -1.690 9.794 1.00 0.00 C ATOM 746 O LEU A 52 -7.210 -1.154 10.718 1.00 0.00 O ATOM 747 CB LEU A 52 -10.388 -1.821 9.910 1.00 0.00 C ATOM 748 CG LEU A 52 -11.024 -1.170 11.155 1.00 0.00 C ATOM 749 CD1 LEU A 52 -10.062 -1.057 12.337 1.00 0.00 C ATOM 750 CD2 LEU A 52 -11.612 0.212 10.858 1.00 0.00 C ATOM 0 H LEU A 52 -10.068 -1.645 7.518 1.00 0.00 H new ATOM 0 HA LEU A 52 -9.158 -0.070 9.671 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -11.151 -1.894 9.135 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -10.097 -2.839 10.168 1.00 0.00 H new ATOM 0 HG LEU A 52 -11.830 -1.849 11.434 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -10.573 -0.590 13.179 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -9.721 -2.051 12.625 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -9.204 -0.448 12.051 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -12.047 0.626 11.768 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -10.823 0.874 10.500 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -12.385 0.122 10.095 1.00 0.00 H new ATOM 762 N THR A 53 -7.315 -2.740 9.135 1.00 0.00 N ATOM 763 CA THR A 53 -6.000 -3.348 9.408 1.00 0.00 C ATOM 764 C THR A 53 -4.855 -2.753 8.578 1.00 0.00 C ATOM 765 O THR A 53 -3.730 -2.699 9.072 1.00 0.00 O ATOM 766 CB THR A 53 -6.045 -4.875 9.242 1.00 0.00 C ATOM 767 OG1 THR A 53 -6.649 -5.256 8.024 1.00 0.00 O ATOM 768 CG2 THR A 53 -6.860 -5.526 10.361 1.00 0.00 C ATOM 0 H THR A 53 -7.819 -3.204 8.379 1.00 0.00 H new ATOM 0 HA THR A 53 -5.782 -3.107 10.448 1.00 0.00 H new ATOM 0 HB THR A 53 -5.007 -5.207 9.268 1.00 0.00 H new ATOM 0 HG1 THR A 53 -6.680 -4.485 7.419 1.00 0.00 H new ATOM 0 HG21 THR A 53 -6.875 -6.607 10.219 1.00 0.00 H new ATOM 0 HG22 THR A 53 -6.406 -5.293 11.324 1.00 0.00 H new ATOM 0 HG23 THR A 53 -7.880 -5.143 10.338 1.00 0.00 H new ATOM 776 N PHE A 54 -5.117 -2.210 7.381 1.00 0.00 N ATOM 777 CA PHE A 54 -4.155 -1.493 6.521 1.00 0.00 C ATOM 778 C PHE A 54 -3.397 -0.387 7.262 1.00 0.00 C ATOM 779 O PHE A 54 -2.175 -0.276 7.135 1.00 0.00 O ATOM 780 CB PHE A 54 -4.913 -0.922 5.309 1.00 0.00 C ATOM 781 CG PHE A 54 -4.124 0.008 4.410 1.00 0.00 C ATOM 782 CD1 PHE A 54 -3.387 -0.505 3.329 1.00 0.00 C ATOM 783 CD2 PHE A 54 -4.146 1.397 4.645 1.00 0.00 C ATOM 784 CE1 PHE A 54 -2.651 0.367 2.510 1.00 0.00 C ATOM 785 CE2 PHE A 54 -3.420 2.269 3.816 1.00 0.00 C ATOM 786 CZ PHE A 54 -2.662 1.751 2.754 1.00 0.00 C ATOM 0 H PHE A 54 -6.046 -2.259 6.964 1.00 0.00 H new ATOM 0 HA PHE A 54 -3.395 -2.203 6.195 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -5.276 -1.755 4.707 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -5.789 -0.386 5.673 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -3.387 -1.566 3.129 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -4.724 1.794 5.467 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -2.073 -0.028 1.688 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -3.445 3.334 3.995 1.00 0.00 H new ATOM 0 HZ PHE A 54 -2.088 2.415 2.125 1.00 0.00 H new ATOM 796 N GLN A 55 -4.117 0.387 8.081 1.00 0.00 N ATOM 797 CA GLN A 55 -3.552 1.397 8.977 1.00 0.00 C ATOM 798 C GLN A 55 -2.514 0.776 9.918 1.00 0.00 C ATOM 799 O GLN A 55 -1.334 1.109 9.840 1.00 0.00 O ATOM 800 CB GLN A 55 -4.677 2.062 9.776 1.00 0.00 C ATOM 801 CG GLN A 55 -5.571 2.937 8.893 1.00 0.00 C ATOM 802 CD GLN A 55 -6.925 3.125 9.555 1.00 0.00 C ATOM 803 OE1 GLN A 55 -7.161 4.030 10.343 1.00 0.00 O ATOM 804 NE2 GLN A 55 -7.849 2.234 9.286 1.00 0.00 N ATOM 0 H GLN A 55 -5.133 0.326 8.139 1.00 0.00 H new ATOM 0 HA GLN A 55 -3.045 2.153 8.378 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -5.283 1.294 10.256 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -4.246 2.671 10.571 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -5.099 3.906 8.729 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -5.696 2.474 7.914 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -7.653 1.479 8.629 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -8.763 2.296 9.734 1.00 0.00 H new ATOM 813 N LYS A 56 -2.934 -0.172 10.770 1.00 0.00 N ATOM 814 CA LYS A 56 -2.021 -0.837 11.732 1.00 0.00 C ATOM 815 C LYS A 56 -0.826 -1.529 11.051 1.00 0.00 C ATOM 816 O LYS A 56 0.232 -1.661 11.669 1.00 0.00 O ATOM 817 CB LYS A 56 -2.745 -1.852 12.641 1.00 0.00 C ATOM 818 CG LYS A 56 -3.743 -1.272 13.660 1.00 0.00 C ATOM 819 CD LYS A 56 -5.099 -0.895 13.045 1.00 0.00 C ATOM 820 CE LYS A 56 -6.192 -0.618 14.088 1.00 0.00 C ATOM 821 NZ LYS A 56 -6.700 -1.864 14.724 1.00 0.00 N ATOM 0 H LYS A 56 -3.899 -0.500 10.818 1.00 0.00 H new ATOM 0 HA LYS A 56 -1.641 -0.024 12.351 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -3.278 -2.559 12.006 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -1.991 -2.420 13.187 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -3.904 -2.001 14.454 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -3.305 -0.388 14.123 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -4.972 -0.011 12.421 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -5.429 -1.702 12.391 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -5.796 0.044 14.858 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -7.020 -0.093 13.612 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -7.435 -1.624 15.419 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -7.103 -2.486 13.995 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -5.917 -2.354 15.203 1.00 0.00 H new ATOM 835 N LYS A 57 -0.976 -1.965 9.791 1.00 0.00 N ATOM 836 CA LYS A 57 0.043 -2.704 9.025 1.00 0.00 C ATOM 837 C LYS A 57 1.310 -1.884 8.729 1.00 0.00 C ATOM 838 O LYS A 57 2.411 -2.376 8.979 1.00 0.00 O ATOM 839 CB LYS A 57 -0.584 -3.291 7.742 1.00 0.00 C ATOM 840 CG LYS A 57 0.191 -4.517 7.231 1.00 0.00 C ATOM 841 CD LYS A 57 -0.219 -5.796 7.984 1.00 0.00 C ATOM 842 CE LYS A 57 0.864 -6.876 7.872 1.00 0.00 C ATOM 843 NZ LYS A 57 0.446 -8.135 8.544 1.00 0.00 N ATOM 0 H LYS A 57 -1.833 -1.810 9.261 1.00 0.00 H new ATOM 0 HA LYS A 57 0.386 -3.524 9.656 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -1.618 -3.573 7.940 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -0.605 -2.526 6.966 1.00 0.00 H new ATOM 0 HG2 LYS A 57 0.007 -4.646 6.164 1.00 0.00 H new ATOM 0 HG3 LYS A 57 1.261 -4.349 7.352 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -0.396 -5.562 9.034 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -1.157 -6.175 7.579 1.00 0.00 H new ATOM 0 HE2 LYS A 57 1.074 -7.075 6.821 1.00 0.00 H new ATOM 0 HE3 LYS A 57 1.790 -6.513 8.319 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 1.200 -8.845 8.450 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 0.269 -7.948 9.552 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -0.424 -8.493 8.100 1.00 0.00 H new ATOM 857 N HIS A 58 1.191 -0.664 8.181 1.00 0.00 N ATOM 858 CA HIS A 58 2.352 0.163 7.782 1.00 0.00 C ATOM 859 C HIS A 58 2.131 1.687 7.895 1.00 0.00 C ATOM 860 O HIS A 58 2.800 2.477 7.230 1.00 0.00 O ATOM 861 CB HIS A 58 2.800 -0.260 6.371 1.00 0.00 C ATOM 862 CG HIS A 58 1.890 0.256 5.291 1.00 0.00 C ATOM 863 ND1 HIS A 58 2.169 1.344 4.490 1.00 0.00 N ATOM 864 CD2 HIS A 58 0.613 -0.159 5.039 1.00 0.00 C ATOM 865 CE1 HIS A 58 1.060 1.593 3.766 1.00 0.00 C ATOM 866 NE2 HIS A 58 0.102 0.697 4.085 1.00 0.00 N ATOM 0 H HIS A 58 0.291 -0.220 8.000 1.00 0.00 H new ATOM 0 HA HIS A 58 3.149 -0.029 8.500 1.00 0.00 H new ATOM 0 HB2 HIS A 58 3.812 0.104 6.192 1.00 0.00 H new ATOM 0 HB3 HIS A 58 2.839 -1.348 6.318 1.00 0.00 H new ATOM 0 HD1 HIS A 58 3.047 1.861 4.453 1.00 0.00 H new ATOM 0 HD2 HIS A 58 0.103 -0.994 5.497 1.00 0.00 H new ATOM 0 HE1 HIS A 58 0.954 2.387 3.042 1.00 0.00 H new ATOM 0 HE2 HIS A 58 -0.837 0.659 3.689 1.00 0.00 H new ATOM 875 N ILE A 59 1.192 2.127 8.724 1.00 0.00 N ATOM 876 CA ILE A 59 0.881 3.549 8.978 1.00 0.00 C ATOM 877 C ILE A 59 0.886 3.810 10.487 1.00 0.00 C ATOM 878 O ILE A 59 0.552 2.935 11.290 1.00 0.00 O ATOM 879 CB ILE A 59 -0.456 3.976 8.309 1.00 0.00 C ATOM 880 CG1 ILE A 59 -0.469 3.554 6.819 1.00 0.00 C ATOM 881 CG2 ILE A 59 -0.704 5.491 8.464 1.00 0.00 C ATOM 882 CD1 ILE A 59 -1.500 4.256 5.927 1.00 0.00 C ATOM 0 H ILE A 59 0.601 1.492 9.261 1.00 0.00 H new ATOM 0 HA ILE A 59 1.653 4.167 8.520 1.00 0.00 H new ATOM 0 HB ILE A 59 -1.272 3.463 8.818 1.00 0.00 H new ATOM 0 HG12 ILE A 59 0.523 3.733 6.403 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -0.647 2.480 6.768 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -1.647 5.756 7.985 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -0.750 5.746 9.523 1.00 0.00 H new ATOM 0 HG23 ILE A 59 0.110 6.043 7.993 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -1.415 3.880 4.907 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -2.503 4.058 6.305 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -1.316 5.330 5.934 1.00 0.00 H new ATOM 894 N THR A 60 1.277 5.020 10.890 1.00 0.00 N ATOM 895 CA THR A 60 1.218 5.449 12.298 1.00 0.00 C ATOM 896 C THR A 60 0.947 6.947 12.470 1.00 0.00 C ATOM 897 O THR A 60 1.291 7.759 11.612 1.00 0.00 O ATOM 898 CB THR A 60 2.500 5.020 13.034 1.00 0.00 C ATOM 899 OG1 THR A 60 2.408 5.395 14.390 1.00 0.00 O ATOM 900 CG2 THR A 60 3.785 5.622 12.460 1.00 0.00 C ATOM 0 H THR A 60 1.643 5.731 10.257 1.00 0.00 H new ATOM 0 HA THR A 60 0.361 4.947 12.748 1.00 0.00 H new ATOM 0 HB THR A 60 2.568 3.939 12.909 1.00 0.00 H new ATOM 0 HG1 THR A 60 3.299 5.628 14.726 1.00 0.00 H new ATOM 0 HG21 THR A 60 4.641 5.269 13.036 1.00 0.00 H new ATOM 0 HG22 THR A 60 3.897 5.317 11.420 1.00 0.00 H new ATOM 0 HG23 THR A 60 3.734 6.709 12.515 1.00 0.00 H new ATOM 908 N ASN A 61 0.368 7.321 13.616 1.00 0.00 N ATOM 909 CA ASN A 61 0.243 8.690 14.114 1.00 0.00 C ATOM 910 C ASN A 61 1.489 9.166 14.906 1.00 0.00 C ATOM 911 O ASN A 61 1.506 10.288 15.415 1.00 0.00 O ATOM 912 CB ASN A 61 -1.050 8.769 14.946 1.00 0.00 C ATOM 913 CG ASN A 61 -1.033 7.900 16.194 1.00 0.00 C ATOM 914 OD1 ASN A 61 -0.436 8.229 17.209 1.00 0.00 O ATOM 915 ND2 ASN A 61 -1.686 6.759 16.167 1.00 0.00 N ATOM 0 H ASN A 61 -0.047 6.640 14.252 1.00 0.00 H new ATOM 0 HA ASN A 61 0.185 9.377 13.270 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -1.219 9.805 15.239 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -1.892 8.473 14.320 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -1.692 6.155 16.989 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -2.186 6.478 15.324 1.00 0.00 H new ATOM 922 N THR A 62 2.525 8.326 15.024 1.00 0.00 N ATOM 923 CA THR A 62 3.819 8.609 15.671 1.00 0.00 C ATOM 924 C THR A 62 4.886 7.590 15.236 1.00 0.00 C ATOM 925 O THR A 62 4.875 6.433 15.665 1.00 0.00 O ATOM 926 CB THR A 62 3.670 8.683 17.208 1.00 0.00 C ATOM 927 OG1 THR A 62 4.918 8.950 17.816 1.00 0.00 O ATOM 928 CG2 THR A 62 3.056 7.458 17.893 1.00 0.00 C ATOM 0 H THR A 62 2.484 7.378 14.651 1.00 0.00 H new ATOM 0 HA THR A 62 4.160 9.590 15.340 1.00 0.00 H new ATOM 0 HB THR A 62 2.957 9.495 17.352 1.00 0.00 H new ATOM 0 HG1 THR A 62 4.805 8.995 18.788 1.00 0.00 H new ATOM 0 HG21 THR A 62 3.004 7.630 18.968 1.00 0.00 H new ATOM 0 HG22 THR A 62 2.052 7.289 17.504 1.00 0.00 H new ATOM 0 HG23 THR A 62 3.674 6.582 17.695 1.00 0.00 H new ATOM 936 N ARG A 63 5.813 7.979 14.347 1.00 0.00 N ATOM 937 CA ARG A 63 6.962 7.136 13.970 1.00 0.00 C ATOM 938 C ARG A 63 7.914 6.975 15.165 1.00 0.00 C ATOM 939 O ARG A 63 8.626 7.909 15.532 1.00 0.00 O ATOM 940 CB ARG A 63 7.700 7.704 12.745 1.00 0.00 C ATOM 941 CG ARG A 63 8.780 6.726 12.253 1.00 0.00 C ATOM 942 CD ARG A 63 9.956 7.459 11.616 1.00 0.00 C ATOM 943 NE ARG A 63 9.532 8.420 10.575 1.00 0.00 N ATOM 944 CZ ARG A 63 10.201 9.466 10.124 1.00 0.00 C ATOM 945 NH1 ARG A 63 11.285 9.899 10.700 1.00 0.00 N ATOM 946 NH2 ARG A 63 9.788 10.098 9.064 1.00 0.00 N ATOM 0 H ARG A 63 5.789 8.881 13.871 1.00 0.00 H new ATOM 0 HA ARG A 63 6.586 6.152 13.690 1.00 0.00 H new ATOM 0 HB2 ARG A 63 6.987 7.898 11.944 1.00 0.00 H new ATOM 0 HB3 ARG A 63 8.158 8.659 13.002 1.00 0.00 H new ATOM 0 HG2 ARG A 63 9.136 6.125 13.090 1.00 0.00 H new ATOM 0 HG3 ARG A 63 8.345 6.037 11.529 1.00 0.00 H new ATOM 0 HD2 ARG A 63 10.511 7.989 12.390 1.00 0.00 H new ATOM 0 HD3 ARG A 63 10.638 6.731 11.177 1.00 0.00 H new ATOM 0 HE ARG A 63 8.616 8.256 10.156 1.00 0.00 H new ATOM 0 HH11 ARG A 63 11.645 9.427 11.529 1.00 0.00 H new ATOM 0 HH12 ARG A 63 11.774 10.710 10.322 1.00 0.00 H new ATOM 0 HH21 ARG A 63 8.946 9.786 8.580 1.00 0.00 H new ATOM 0 HH22 ARG A 63 10.306 10.905 8.717 1.00 0.00 H new ATOM 960 N ASP A 64 7.949 5.773 15.735 1.00 0.00 N ATOM 961 CA ASP A 64 8.832 5.384 16.849 1.00 0.00 C ATOM 962 C ASP A 64 9.894 4.336 16.441 1.00 0.00 C ATOM 963 O ASP A 64 10.639 3.823 17.279 1.00 0.00 O ATOM 964 CB ASP A 64 7.946 4.913 18.015 1.00 0.00 C ATOM 965 CG ASP A 64 8.708 4.768 19.346 1.00 0.00 C ATOM 966 OD1 ASP A 64 9.345 5.753 19.792 1.00 0.00 O ATOM 967 OD2 ASP A 64 8.620 3.690 19.982 1.00 0.00 O ATOM 0 H ASP A 64 7.345 5.011 15.428 1.00 0.00 H new ATOM 0 HA ASP A 64 9.418 6.248 17.163 1.00 0.00 H new ATOM 0 HB2 ASP A 64 7.128 5.621 18.149 1.00 0.00 H new ATOM 0 HB3 ASP A 64 7.498 3.954 17.756 1.00 0.00 H new ATOM 972 N VAL A 65 9.968 4.003 15.148 1.00 0.00 N ATOM 973 CA VAL A 65 10.832 2.947 14.600 1.00 0.00 C ATOM 974 C VAL A 65 12.296 3.401 14.496 1.00 0.00 C ATOM 975 O VAL A 65 12.588 4.515 14.058 1.00 0.00 O ATOM 976 CB VAL A 65 10.286 2.494 13.230 1.00 0.00 C ATOM 977 CG1 VAL A 65 11.235 1.525 12.519 1.00 0.00 C ATOM 978 CG2 VAL A 65 8.933 1.792 13.415 1.00 0.00 C ATOM 0 H VAL A 65 9.414 4.473 14.432 1.00 0.00 H new ATOM 0 HA VAL A 65 10.819 2.100 15.286 1.00 0.00 H new ATOM 0 HB VAL A 65 10.182 3.390 12.618 1.00 0.00 H new ATOM 0 HG11 VAL A 65 10.807 1.235 11.559 1.00 0.00 H new ATOM 0 HG12 VAL A 65 12.196 2.012 12.355 1.00 0.00 H new ATOM 0 HG13 VAL A 65 11.378 0.638 13.136 1.00 0.00 H new ATOM 0 HG21 VAL A 65 8.552 1.474 12.444 1.00 0.00 H new ATOM 0 HG22 VAL A 65 9.060 0.921 14.058 1.00 0.00 H new ATOM 0 HG23 VAL A 65 8.225 2.482 13.874 1.00 0.00 H new ATOM 988 N ASP A 66 13.217 2.494 14.840 1.00 0.00 N ATOM 989 CA ASP A 66 14.681 2.656 14.731 1.00 0.00 C ATOM 990 C ASP A 66 15.358 1.496 13.959 1.00 0.00 C ATOM 991 O ASP A 66 16.584 1.399 13.903 1.00 0.00 O ATOM 992 CB ASP A 66 15.253 2.827 16.150 1.00 0.00 C ATOM 993 CG ASP A 66 16.695 3.368 16.170 1.00 0.00 C ATOM 994 OD1 ASP A 66 16.964 4.417 15.534 1.00 0.00 O ATOM 995 OD2 ASP A 66 17.550 2.783 16.877 1.00 0.00 O ATOM 0 H ASP A 66 12.956 1.584 15.220 1.00 0.00 H new ATOM 0 HA ASP A 66 14.898 3.545 14.139 1.00 0.00 H new ATOM 0 HB2 ASP A 66 14.611 3.505 16.713 1.00 0.00 H new ATOM 0 HB3 ASP A 66 15.227 1.865 16.662 1.00 0.00 H new ATOM 1000 N CYS A 67 14.553 0.605 13.360 1.00 0.00 N ATOM 1001 CA CYS A 67 14.952 -0.590 12.594 1.00 0.00 C ATOM 1002 C CYS A 67 15.918 -1.530 13.359 1.00 0.00 C ATOM 1003 O CYS A 67 16.831 -2.130 12.791 1.00 0.00 O ATOM 1004 CB CYS A 67 15.401 -0.171 11.185 1.00 0.00 C ATOM 1005 SG CYS A 67 14.242 0.984 10.390 1.00 0.00 S ATOM 0 H CYS A 67 13.539 0.705 13.399 1.00 0.00 H new ATOM 0 HA CYS A 67 14.082 -1.233 12.464 1.00 0.00 H new ATOM 0 HB2 CYS A 67 16.385 0.293 11.245 1.00 0.00 H new ATOM 0 HB3 CYS A 67 15.505 -1.060 10.563 1.00 0.00 H new ATOM 1010 N ASP A 68 15.687 -1.652 14.672 1.00 0.00 N ATOM 1011 CA ASP A 68 16.458 -2.427 15.655 1.00 0.00 C ATOM 1012 C ASP A 68 15.572 -2.916 16.826 1.00 0.00 C ATOM 1013 O ASP A 68 15.755 -4.021 17.329 1.00 0.00 O ATOM 1014 CB ASP A 68 17.617 -1.556 16.176 1.00 0.00 C ATOM 1015 CG ASP A 68 18.713 -2.391 16.857 1.00 0.00 C ATOM 1016 OD1 ASP A 68 18.496 -2.880 17.991 1.00 0.00 O ATOM 1017 OD2 ASP A 68 19.785 -2.596 16.244 1.00 0.00 O ATOM 0 H ASP A 68 14.897 -1.176 15.109 1.00 0.00 H new ATOM 0 HA ASP A 68 16.853 -3.318 15.166 1.00 0.00 H new ATOM 0 HB2 ASP A 68 18.051 -0.998 15.346 1.00 0.00 H new ATOM 0 HB3 ASP A 68 17.229 -0.824 16.884 1.00 0.00 H new ATOM 1022 N ASN A 69 14.557 -2.134 17.220 1.00 0.00 N ATOM 1023 CA ASN A 69 13.609 -2.434 18.303 1.00 0.00 C ATOM 1024 C ASN A 69 12.284 -3.035 17.793 1.00 0.00 C ATOM 1025 O ASN A 69 11.447 -3.450 18.595 1.00 0.00 O ATOM 1026 CB ASN A 69 13.350 -1.154 19.118 1.00 0.00 C ATOM 1027 CG ASN A 69 14.617 -0.616 19.756 1.00 0.00 C ATOM 1028 OD1 ASN A 69 15.076 -1.082 20.790 1.00 0.00 O ATOM 1029 ND2 ASN A 69 15.225 0.374 19.147 1.00 0.00 N ATOM 0 H ASN A 69 14.366 -1.237 16.774 1.00 0.00 H new ATOM 0 HA ASN A 69 14.061 -3.196 18.938 1.00 0.00 H new ATOM 0 HB2 ASN A 69 12.920 -0.392 18.468 1.00 0.00 H new ATOM 0 HB3 ASN A 69 12.614 -1.362 19.895 1.00 0.00 H new ATOM 0 HD21 ASN A 69 16.086 0.760 19.535 1.00 0.00 H new ATOM 0 HD22 ASN A 69 14.837 0.758 18.285 1.00 0.00 H new ATOM 1036 N ILE A 70 12.087 -3.119 16.467 1.00 0.00 N ATOM 1037 CA ILE A 70 10.850 -3.606 15.825 1.00 0.00 C ATOM 1038 C ILE A 70 10.523 -5.066 16.151 1.00 0.00 C ATOM 1039 O ILE A 70 9.392 -5.498 15.949 1.00 0.00 O ATOM 1040 CB ILE A 70 10.880 -3.362 14.301 1.00 0.00 C ATOM 1041 CG1 ILE A 70 11.932 -4.244 13.589 1.00 0.00 C ATOM 1042 CG2 ILE A 70 11.076 -1.856 14.055 1.00 0.00 C ATOM 1043 CD1 ILE A 70 12.225 -3.831 12.149 1.00 0.00 C ATOM 0 H ILE A 70 12.801 -2.843 15.792 1.00 0.00 H new ATOM 0 HA ILE A 70 10.038 -3.019 16.253 1.00 0.00 H new ATOM 0 HB ILE A 70 9.930 -3.664 13.859 1.00 0.00 H new ATOM 0 HG12 ILE A 70 12.860 -4.214 14.159 1.00 0.00 H new ATOM 0 HG13 ILE A 70 11.587 -5.278 13.595 1.00 0.00 H new ATOM 0 HG21 ILE A 70 11.100 -1.663 12.983 1.00 0.00 H new ATOM 0 HG22 ILE A 70 10.251 -1.303 14.505 1.00 0.00 H new ATOM 0 HG23 ILE A 70 12.016 -1.533 14.503 1.00 0.00 H new ATOM 0 HD11 ILE A 70 12.973 -4.500 11.723 1.00 0.00 H new ATOM 0 HD12 ILE A 70 11.309 -3.889 11.560 1.00 0.00 H new ATOM 0 HD13 ILE A 70 12.603 -2.809 12.133 1.00 0.00 H new ATOM 1055 N MET A 71 11.473 -5.798 16.741 1.00 0.00 N ATOM 1056 CA MET A 71 11.234 -7.127 17.331 1.00 0.00 C ATOM 1057 C MET A 71 10.107 -7.107 18.392 1.00 0.00 C ATOM 1058 O MET A 71 9.326 -8.051 18.499 1.00 0.00 O ATOM 1059 CB MET A 71 12.557 -7.677 17.897 1.00 0.00 C ATOM 1060 CG MET A 71 12.586 -9.210 17.971 1.00 0.00 C ATOM 1061 SD MET A 71 11.746 -9.960 19.393 1.00 0.00 S ATOM 1062 CE MET A 71 11.458 -11.623 18.728 1.00 0.00 C ATOM 0 H MET A 71 12.440 -5.485 16.825 1.00 0.00 H new ATOM 0 HA MET A 71 10.882 -7.797 16.547 1.00 0.00 H new ATOM 0 HB2 MET A 71 13.383 -7.333 17.275 1.00 0.00 H new ATOM 0 HB3 MET A 71 12.717 -7.267 18.894 1.00 0.00 H new ATOM 0 HG2 MET A 71 12.136 -9.605 17.060 1.00 0.00 H new ATOM 0 HG3 MET A 71 13.627 -9.533 17.979 1.00 0.00 H new ATOM 0 HE1 MET A 71 10.945 -12.230 19.474 1.00 0.00 H new ATOM 0 HE2 MET A 71 10.843 -11.555 17.831 1.00 0.00 H new ATOM 0 HE3 MET A 71 12.413 -12.086 18.479 1.00 0.00 H new ATOM 1072 N SER A 72 9.974 -5.999 19.132 1.00 0.00 N ATOM 1073 CA SER A 72 8.917 -5.766 20.134 1.00 0.00 C ATOM 1074 C SER A 72 7.544 -5.386 19.531 1.00 0.00 C ATOM 1075 O SER A 72 6.528 -5.406 20.230 1.00 0.00 O ATOM 1076 CB SER A 72 9.404 -4.657 21.080 1.00 0.00 C ATOM 1077 OG SER A 72 8.657 -4.610 22.288 1.00 0.00 O ATOM 0 H SER A 72 10.618 -5.212 19.050 1.00 0.00 H new ATOM 0 HA SER A 72 8.748 -6.705 20.660 1.00 0.00 H new ATOM 0 HB2 SER A 72 10.457 -4.818 21.313 1.00 0.00 H new ATOM 0 HB3 SER A 72 9.333 -3.694 20.574 1.00 0.00 H new ATOM 0 HG SER A 72 7.716 -4.805 22.098 1.00 0.00 H new ATOM 1083 N THR A 73 7.485 -5.053 18.234 1.00 0.00 N ATOM 1084 CA THR A 73 6.274 -4.584 17.519 1.00 0.00 C ATOM 1085 C THR A 73 5.612 -5.699 16.693 1.00 0.00 C ATOM 1086 O THR A 73 6.057 -6.848 16.705 1.00 0.00 O ATOM 1087 CB THR A 73 6.581 -3.375 16.610 1.00 0.00 C ATOM 1088 OG1 THR A 73 7.284 -3.780 15.456 1.00 0.00 O ATOM 1089 CG2 THR A 73 7.369 -2.259 17.295 1.00 0.00 C ATOM 0 H THR A 73 8.303 -5.102 17.627 1.00 0.00 H new ATOM 0 HA THR A 73 5.571 -4.274 18.292 1.00 0.00 H new ATOM 0 HB THR A 73 5.605 -2.968 16.348 1.00 0.00 H new ATOM 0 HG1 THR A 73 8.023 -4.370 15.713 1.00 0.00 H new ATOM 0 HG21 THR A 73 7.542 -1.449 16.587 1.00 0.00 H new ATOM 0 HG22 THR A 73 6.802 -1.882 18.146 1.00 0.00 H new ATOM 0 HG23 THR A 73 8.326 -2.649 17.641 1.00 0.00 H new ATOM 1097 N ASN A 74 4.563 -5.368 15.928 1.00 0.00 N ATOM 1098 CA ASN A 74 3.956 -6.265 14.932 1.00 0.00 C ATOM 1099 C ASN A 74 4.909 -6.645 13.775 1.00 0.00 C ATOM 1100 O ASN A 74 4.679 -7.633 13.080 1.00 0.00 O ATOM 1101 CB ASN A 74 2.691 -5.601 14.352 1.00 0.00 C ATOM 1102 CG ASN A 74 1.694 -5.148 15.405 1.00 0.00 C ATOM 1103 OD1 ASN A 74 1.076 -5.944 16.099 1.00 0.00 O ATOM 1104 ND2 ASN A 74 1.506 -3.855 15.557 1.00 0.00 N ATOM 0 H ASN A 74 4.105 -4.458 15.983 1.00 0.00 H new ATOM 0 HA ASN A 74 3.713 -7.191 15.453 1.00 0.00 H new ATOM 0 HB2 ASN A 74 2.987 -4.740 13.752 1.00 0.00 H new ATOM 0 HB3 ASN A 74 2.200 -6.304 13.679 1.00 0.00 H new ATOM 0 HD21 ASN A 74 0.844 -3.514 16.254 1.00 0.00 H new ATOM 0 HD22 ASN A 74 2.022 -3.193 14.978 1.00 0.00 H new ATOM 1111 N LEU A 75 5.971 -5.860 13.550 1.00 0.00 N ATOM 1112 CA LEU A 75 6.811 -5.877 12.347 1.00 0.00 C ATOM 1113 C LEU A 75 8.069 -6.768 12.465 1.00 0.00 C ATOM 1114 O LEU A 75 8.949 -6.714 11.603 1.00 0.00 O ATOM 1115 CB LEU A 75 7.163 -4.417 11.982 1.00 0.00 C ATOM 1116 CG LEU A 75 6.004 -3.443 11.675 1.00 0.00 C ATOM 1117 CD1 LEU A 75 4.862 -4.079 10.884 1.00 0.00 C ATOM 1118 CD2 LEU A 75 5.435 -2.735 12.905 1.00 0.00 C ATOM 0 H LEU A 75 6.281 -5.167 14.231 1.00 0.00 H new ATOM 0 HA LEU A 75 6.239 -6.340 11.543 1.00 0.00 H new ATOM 0 HB2 LEU A 75 7.741 -3.998 12.805 1.00 0.00 H new ATOM 0 HB3 LEU A 75 7.818 -4.440 11.111 1.00 0.00 H new ATOM 0 HG LEU A 75 6.481 -2.689 11.048 1.00 0.00 H new ATOM 0 HD11 LEU A 75 4.085 -3.336 10.706 1.00 0.00 H new ATOM 0 HD12 LEU A 75 5.240 -4.445 9.929 1.00 0.00 H new ATOM 0 HD13 LEU A 75 4.445 -4.911 11.452 1.00 0.00 H new ATOM 0 HD21 LEU A 75 4.626 -2.070 12.601 1.00 0.00 H new ATOM 0 HD22 LEU A 75 5.051 -3.476 13.606 1.00 0.00 H new ATOM 0 HD23 LEU A 75 6.221 -2.153 13.386 1.00 0.00 H new ATOM 1130 N PHE A 76 8.136 -7.614 13.497 1.00 0.00 N ATOM 1131 CA PHE A 76 9.233 -8.509 13.889 1.00 0.00 C ATOM 1132 C PHE A 76 9.554 -9.628 12.884 1.00 0.00 C ATOM 1133 O PHE A 76 10.526 -10.360 13.065 1.00 0.00 O ATOM 1134 CB PHE A 76 8.886 -9.132 15.252 1.00 0.00 C ATOM 1135 CG PHE A 76 7.831 -10.228 15.221 1.00 0.00 C ATOM 1136 CD1 PHE A 76 6.462 -9.904 15.212 1.00 0.00 C ATOM 1137 CD2 PHE A 76 8.222 -11.580 15.198 1.00 0.00 C ATOM 1138 CE1 PHE A 76 5.490 -10.920 15.179 1.00 0.00 C ATOM 1139 CE2 PHE A 76 7.251 -12.599 15.166 1.00 0.00 C ATOM 1140 CZ PHE A 76 5.884 -12.269 15.156 1.00 0.00 C ATOM 0 H PHE A 76 7.350 -7.699 14.141 1.00 0.00 H new ATOM 0 HA PHE A 76 10.131 -7.893 13.929 1.00 0.00 H new ATOM 0 HB2 PHE A 76 9.798 -9.541 15.688 1.00 0.00 H new ATOM 0 HB3 PHE A 76 8.543 -8.340 15.917 1.00 0.00 H new ATOM 0 HD1 PHE A 76 6.156 -8.869 15.231 1.00 0.00 H new ATOM 0 HD2 PHE A 76 9.271 -11.837 15.205 1.00 0.00 H new ATOM 0 HE1 PHE A 76 4.441 -10.664 15.171 1.00 0.00 H new ATOM 0 HE2 PHE A 76 7.556 -13.635 15.149 1.00 0.00 H new ATOM 0 HZ PHE A 76 5.139 -13.050 15.131 1.00 0.00 H new ATOM 1150 N HIS A 77 8.750 -9.764 11.822 1.00 0.00 N ATOM 1151 CA HIS A 77 8.794 -10.839 10.815 1.00 0.00 C ATOM 1152 C HIS A 77 10.108 -10.914 9.997 1.00 0.00 C ATOM 1153 O HIS A 77 10.249 -11.791 9.144 1.00 0.00 O ATOM 1154 CB HIS A 77 7.546 -10.705 9.911 1.00 0.00 C ATOM 1155 CG HIS A 77 7.035 -12.012 9.346 1.00 0.00 C ATOM 1156 ND1 HIS A 77 7.784 -12.961 8.677 1.00 0.00 N ATOM 1157 CD2 HIS A 77 5.748 -12.469 9.428 1.00 0.00 C ATOM 1158 CE1 HIS A 77 6.967 -13.986 8.363 1.00 0.00 C ATOM 1159 NE2 HIS A 77 5.722 -13.706 8.804 1.00 0.00 N ATOM 0 H HIS A 77 8.009 -9.091 11.629 1.00 0.00 H new ATOM 0 HA HIS A 77 8.780 -11.790 11.347 1.00 0.00 H new ATOM 0 HB2 HIS A 77 6.747 -10.235 10.484 1.00 0.00 H new ATOM 0 HB3 HIS A 77 7.782 -10.035 9.085 1.00 0.00 H new ATOM 0 HD1 HIS A 77 8.778 -12.897 8.459 1.00 0.00 H new ATOM 0 HD2 HIS A 77 4.913 -11.963 9.890 1.00 0.00 H new ATOM 0 HE1 HIS A 77 7.261 -14.886 7.843 1.00 0.00 H new ATOM 1168 N CYS A 78 11.060 -10.002 10.225 1.00 0.00 N ATOM 1169 CA CYS A 78 12.347 -9.889 9.508 1.00 0.00 C ATOM 1170 C CYS A 78 12.202 -9.748 7.974 1.00 0.00 C ATOM 1171 O CYS A 78 13.030 -10.225 7.191 1.00 0.00 O ATOM 1172 CB CYS A 78 13.277 -11.036 9.940 1.00 0.00 C ATOM 1173 SG CYS A 78 15.050 -10.726 9.693 1.00 0.00 S ATOM 0 H CYS A 78 10.955 -9.288 10.946 1.00 0.00 H new ATOM 0 HA CYS A 78 12.811 -8.947 9.799 1.00 0.00 H new ATOM 0 HB2 CYS A 78 13.104 -11.245 10.996 1.00 0.00 H new ATOM 0 HB3 CYS A 78 13.001 -11.934 9.388 1.00 0.00 H new ATOM 1178 N LYS A 79 11.104 -9.114 7.542 1.00 0.00 N ATOM 1179 CA LYS A 79 10.756 -8.854 6.136 1.00 0.00 C ATOM 1180 C LYS A 79 11.772 -7.936 5.438 1.00 0.00 C ATOM 1181 O LYS A 79 12.457 -7.148 6.085 1.00 0.00 O ATOM 1182 CB LYS A 79 9.296 -8.358 6.038 1.00 0.00 C ATOM 1183 CG LYS A 79 8.859 -7.286 7.057 1.00 0.00 C ATOM 1184 CD LYS A 79 9.488 -5.901 6.836 1.00 0.00 C ATOM 1185 CE LYS A 79 10.358 -5.388 7.996 1.00 0.00 C ATOM 1186 NZ LYS A 79 9.549 -5.045 9.199 1.00 0.00 N ATOM 0 H LYS A 79 10.403 -8.752 8.189 1.00 0.00 H new ATOM 0 HA LYS A 79 10.816 -9.791 5.583 1.00 0.00 H new ATOM 0 HB2 LYS A 79 9.139 -7.959 5.036 1.00 0.00 H new ATOM 0 HB3 LYS A 79 8.636 -9.219 6.146 1.00 0.00 H new ATOM 0 HG2 LYS A 79 7.774 -7.188 7.019 1.00 0.00 H new ATOM 0 HG3 LYS A 79 9.113 -7.631 8.059 1.00 0.00 H new ATOM 0 HD2 LYS A 79 10.097 -5.936 5.933 1.00 0.00 H new ATOM 0 HD3 LYS A 79 8.690 -5.181 6.655 1.00 0.00 H new ATOM 0 HE2 LYS A 79 11.093 -6.148 8.260 1.00 0.00 H new ATOM 0 HE3 LYS A 79 10.912 -4.508 7.670 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 9.962 -4.215 9.670 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 8.573 -4.830 8.911 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 9.547 -5.850 9.857 1.00 0.00 H new ATOM 1200 N ASP A 80 11.842 -8.010 4.108 1.00 0.00 N ATOM 1201 CA ASP A 80 12.865 -7.339 3.283 1.00 0.00 C ATOM 1202 C ASP A 80 12.826 -5.803 3.358 1.00 0.00 C ATOM 1203 O ASP A 80 13.876 -5.156 3.308 1.00 0.00 O ATOM 1204 CB ASP A 80 12.720 -7.785 1.821 1.00 0.00 C ATOM 1205 CG ASP A 80 12.992 -9.287 1.645 1.00 0.00 C ATOM 1206 OD1 ASP A 80 14.168 -9.670 1.434 1.00 0.00 O ATOM 1207 OD2 ASP A 80 12.029 -10.088 1.714 1.00 0.00 O ATOM 0 H ASP A 80 11.176 -8.550 3.555 1.00 0.00 H new ATOM 0 HA ASP A 80 13.830 -7.640 3.692 1.00 0.00 H new ATOM 0 HB2 ASP A 80 11.714 -7.556 1.471 1.00 0.00 H new ATOM 0 HB3 ASP A 80 13.411 -7.217 1.199 1.00 0.00 H new ATOM 1212 N LYS A 81 11.629 -5.221 3.498 1.00 0.00 N ATOM 1213 CA LYS A 81 11.390 -3.806 3.825 1.00 0.00 C ATOM 1214 C LYS A 81 9.969 -3.554 4.322 1.00 0.00 C ATOM 1215 O LYS A 81 9.059 -4.333 4.035 1.00 0.00 O ATOM 1216 CB LYS A 81 11.692 -2.883 2.620 1.00 0.00 C ATOM 1217 CG LYS A 81 11.078 -3.353 1.291 1.00 0.00 C ATOM 1218 CD LYS A 81 11.092 -2.253 0.214 1.00 0.00 C ATOM 1219 CE LYS A 81 9.870 -1.322 0.266 1.00 0.00 C ATOM 1220 NZ LYS A 81 8.671 -1.938 -0.360 1.00 0.00 N ATOM 0 H LYS A 81 10.761 -5.744 3.382 1.00 0.00 H new ATOM 0 HA LYS A 81 12.078 -3.566 4.635 1.00 0.00 H new ATOM 0 HB2 LYS A 81 11.323 -1.882 2.843 1.00 0.00 H new ATOM 0 HB3 LYS A 81 12.772 -2.805 2.500 1.00 0.00 H new ATOM 0 HG2 LYS A 81 11.628 -4.221 0.927 1.00 0.00 H new ATOM 0 HG3 LYS A 81 10.051 -3.676 1.463 1.00 0.00 H new ATOM 0 HD2 LYS A 81 11.997 -1.657 0.328 1.00 0.00 H new ATOM 0 HD3 LYS A 81 11.140 -2.720 -0.770 1.00 0.00 H new ATOM 0 HE2 LYS A 81 9.649 -1.072 1.304 1.00 0.00 H new ATOM 0 HE3 LYS A 81 10.105 -0.387 -0.244 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 7.871 -1.276 -0.303 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 8.872 -2.153 -1.357 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 8.430 -2.817 0.142 1.00 0.00 H new ATOM 1234 N ASN A 82 9.770 -2.429 5.007 1.00 0.00 N ATOM 1235 CA ASN A 82 8.454 -1.819 5.218 1.00 0.00 C ATOM 1236 C ASN A 82 8.496 -0.329 4.848 1.00 0.00 C ATOM 1237 O ASN A 82 9.567 0.284 4.861 1.00 0.00 O ATOM 1238 CB ASN A 82 8.009 -2.032 6.681 1.00 0.00 C ATOM 1239 CG ASN A 82 6.501 -1.941 6.887 1.00 0.00 C ATOM 1240 OD1 ASN A 82 5.716 -1.795 5.963 1.00 0.00 O ATOM 1241 ND2 ASN A 82 6.055 -2.058 8.116 1.00 0.00 N ATOM 0 H ASN A 82 10.531 -1.905 5.439 1.00 0.00 H new ATOM 0 HA ASN A 82 7.720 -2.298 4.570 1.00 0.00 H new ATOM 0 HB2 ASN A 82 8.353 -3.010 7.017 1.00 0.00 H new ATOM 0 HB3 ASN A 82 8.498 -1.289 7.311 1.00 0.00 H new ATOM 0 HD21 ASN A 82 5.052 -2.027 8.300 1.00 0.00 H new ATOM 0 HD22 ASN A 82 6.711 -2.180 8.887 1.00 0.00 H new ATOM 1248 N THR A 83 7.328 0.250 4.572 1.00 0.00 N ATOM 1249 CA THR A 83 7.148 1.661 4.218 1.00 0.00 C ATOM 1250 C THR A 83 6.159 2.308 5.187 1.00 0.00 C ATOM 1251 O THR A 83 4.941 2.237 4.990 1.00 0.00 O ATOM 1252 CB THR A 83 6.673 1.799 2.763 1.00 0.00 C ATOM 1253 OG1 THR A 83 7.571 1.170 1.871 1.00 0.00 O ATOM 1254 CG2 THR A 83 6.568 3.269 2.376 1.00 0.00 C ATOM 0 H THR A 83 6.449 -0.267 4.589 1.00 0.00 H new ATOM 0 HA THR A 83 8.105 2.177 4.300 1.00 0.00 H new ATOM 0 HB THR A 83 5.697 1.320 2.694 1.00 0.00 H new ATOM 0 HG1 THR A 83 8.484 1.471 2.060 1.00 0.00 H new ATOM 0 HG21 THR A 83 6.230 3.350 1.343 1.00 0.00 H new ATOM 0 HG22 THR A 83 5.854 3.768 3.031 1.00 0.00 H new ATOM 0 HG23 THR A 83 7.545 3.742 2.477 1.00 0.00 H new ATOM 1262 N PHE A 84 6.681 2.906 6.260 1.00 0.00 N ATOM 1263 CA PHE A 84 5.892 3.589 7.285 1.00 0.00 C ATOM 1264 C PHE A 84 5.479 4.990 6.823 1.00 0.00 C ATOM 1265 O PHE A 84 6.324 5.836 6.515 1.00 0.00 O ATOM 1266 CB PHE A 84 6.627 3.666 8.628 1.00 0.00 C ATOM 1267 CG PHE A 84 7.008 2.334 9.232 1.00 0.00 C ATOM 1268 CD1 PHE A 84 6.009 1.468 9.716 1.00 0.00 C ATOM 1269 CD2 PHE A 84 8.366 1.973 9.323 1.00 0.00 C ATOM 1270 CE1 PHE A 84 6.371 0.240 10.297 1.00 0.00 C ATOM 1271 CE2 PHE A 84 8.715 0.707 9.828 1.00 0.00 C ATOM 1272 CZ PHE A 84 7.723 -0.147 10.342 1.00 0.00 C ATOM 0 H PHE A 84 7.684 2.929 6.443 1.00 0.00 H new ATOM 0 HA PHE A 84 4.993 2.992 7.436 1.00 0.00 H new ATOM 0 HB2 PHE A 84 7.532 4.258 8.495 1.00 0.00 H new ATOM 0 HB3 PHE A 84 5.997 4.202 9.338 1.00 0.00 H new ATOM 0 HD1 PHE A 84 4.968 1.746 9.641 1.00 0.00 H new ATOM 0 HD2 PHE A 84 9.134 2.663 9.007 1.00 0.00 H new ATOM 0 HE1 PHE A 84 5.611 -0.407 10.709 1.00 0.00 H new ATOM 0 HE2 PHE A 84 9.747 0.390 9.821 1.00 0.00 H new ATOM 0 HZ PHE A 84 7.999 -1.099 10.771 1.00 0.00 H new ATOM 1282 N ILE A 85 4.171 5.235 6.794 1.00 0.00 N ATOM 1283 CA ILE A 85 3.560 6.538 6.510 1.00 0.00 C ATOM 1284 C ILE A 85 3.225 7.204 7.851 1.00 0.00 C ATOM 1285 O ILE A 85 2.419 6.670 8.618 1.00 0.00 O ATOM 1286 CB ILE A 85 2.300 6.333 5.635 1.00 0.00 C ATOM 1287 CG1 ILE A 85 2.665 5.716 4.263 1.00 0.00 C ATOM 1288 CG2 ILE A 85 1.512 7.638 5.429 1.00 0.00 C ATOM 1289 CD1 ILE A 85 1.438 5.179 3.519 1.00 0.00 C ATOM 0 H ILE A 85 3.479 4.507 6.974 1.00 0.00 H new ATOM 0 HA ILE A 85 4.240 7.185 5.956 1.00 0.00 H new ATOM 0 HB ILE A 85 1.659 5.638 6.178 1.00 0.00 H new ATOM 0 HG12 ILE A 85 3.158 6.469 3.649 1.00 0.00 H new ATOM 0 HG13 ILE A 85 3.380 4.907 4.410 1.00 0.00 H new ATOM 0 HG21 ILE A 85 0.638 7.441 4.809 1.00 0.00 H new ATOM 0 HG22 ILE A 85 1.191 8.026 6.396 1.00 0.00 H new ATOM 0 HG23 ILE A 85 2.148 8.373 4.936 1.00 0.00 H new ATOM 0 HD11 ILE A 85 1.748 4.757 2.563 1.00 0.00 H new ATOM 0 HD12 ILE A 85 0.959 4.405 4.119 1.00 0.00 H new ATOM 0 HD13 ILE A 85 0.733 5.992 3.345 1.00 0.00 H new ATOM 1301 N TYR A 86 3.835 8.353 8.157 1.00 0.00 N ATOM 1302 CA TYR A 86 3.403 9.201 9.271 1.00 0.00 C ATOM 1303 C TYR A 86 2.336 10.204 8.796 1.00 0.00 C ATOM 1304 O TYR A 86 2.652 11.302 8.330 1.00 0.00 O ATOM 1305 CB TYR A 86 4.622 9.841 9.952 1.00 0.00 C ATOM 1306 CG TYR A 86 4.348 10.821 11.088 1.00 0.00 C ATOM 1307 CD1 TYR A 86 3.166 10.755 11.854 1.00 0.00 C ATOM 1308 CD2 TYR A 86 5.303 11.816 11.379 1.00 0.00 C ATOM 1309 CE1 TYR A 86 2.925 11.701 12.867 1.00 0.00 C ATOM 1310 CE2 TYR A 86 5.071 12.758 12.400 1.00 0.00 C ATOM 1311 CZ TYR A 86 3.873 12.708 13.144 1.00 0.00 C ATOM 1312 OH TYR A 86 3.625 13.619 14.125 1.00 0.00 O ATOM 0 H TYR A 86 4.637 8.719 7.643 1.00 0.00 H new ATOM 0 HA TYR A 86 2.917 8.600 10.039 1.00 0.00 H new ATOM 0 HB2 TYR A 86 5.252 9.040 10.340 1.00 0.00 H new ATOM 0 HB3 TYR A 86 5.202 10.361 9.189 1.00 0.00 H new ATOM 0 HD1 TYR A 86 2.443 9.976 11.662 1.00 0.00 H new ATOM 0 HD2 TYR A 86 6.222 11.856 10.813 1.00 0.00 H new ATOM 0 HE1 TYR A 86 2.008 11.656 13.436 1.00 0.00 H new ATOM 0 HE2 TYR A 86 5.809 13.517 12.613 1.00 0.00 H new ATOM 0 HH TYR A 86 4.378 14.243 14.190 1.00 0.00 H new ATOM 1322 N SER A 87 1.061 9.809 8.895 1.00 0.00 N ATOM 1323 CA SER A 87 -0.116 10.660 8.650 1.00 0.00 C ATOM 1324 C SER A 87 -1.288 10.321 9.589 1.00 0.00 C ATOM 1325 O SER A 87 -1.263 9.323 10.315 1.00 0.00 O ATOM 1326 CB SER A 87 -0.551 10.554 7.177 1.00 0.00 C ATOM 1327 OG SER A 87 -1.147 9.301 6.892 1.00 0.00 O ATOM 0 H SER A 87 0.809 8.856 9.157 1.00 0.00 H new ATOM 0 HA SER A 87 0.174 11.689 8.864 1.00 0.00 H new ATOM 0 HB2 SER A 87 -1.257 11.352 6.948 1.00 0.00 H new ATOM 0 HB3 SER A 87 0.315 10.700 6.531 1.00 0.00 H new ATOM 0 HG SER A 87 -2.085 9.313 7.175 1.00 0.00 H new ATOM 1333 N ARG A 88 -2.347 11.143 9.561 1.00 0.00 N ATOM 1334 CA ARG A 88 -3.676 10.813 10.117 1.00 0.00 C ATOM 1335 C ARG A 88 -4.443 9.910 9.133 1.00 0.00 C ATOM 1336 O ARG A 88 -4.067 9.862 7.960 1.00 0.00 O ATOM 1337 CB ARG A 88 -4.436 12.122 10.423 1.00 0.00 C ATOM 1338 CG ARG A 88 -3.682 12.988 11.449 1.00 0.00 C ATOM 1339 CD ARG A 88 -4.542 14.136 11.991 1.00 0.00 C ATOM 1340 NE ARG A 88 -5.390 13.709 13.126 1.00 0.00 N ATOM 1341 CZ ARG A 88 -6.225 14.462 13.821 1.00 0.00 C ATOM 1342 NH1 ARG A 88 -6.487 15.694 13.488 1.00 0.00 N ATOM 1343 NH2 ARG A 88 -6.810 13.992 14.886 1.00 0.00 N ATOM 0 H ARG A 88 -2.308 12.073 9.145 1.00 0.00 H new ATOM 0 HA ARG A 88 -3.572 10.259 11.050 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -4.575 12.687 9.501 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -5.429 11.886 10.805 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -3.354 12.361 12.278 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -2.785 13.398 10.985 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -3.895 14.953 12.310 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -5.174 14.523 11.192 1.00 0.00 H new ATOM 0 HE ARG A 88 -5.323 12.729 13.401 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -6.042 16.106 12.668 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -7.137 16.246 14.047 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -6.625 13.036 15.190 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -7.453 14.580 15.416 1.00 0.00 H new ATOM 1357 N PRO A 89 -5.529 9.227 9.544 1.00 0.00 N ATOM 1358 CA PRO A 89 -6.331 8.409 8.627 1.00 0.00 C ATOM 1359 C PRO A 89 -7.182 9.220 7.636 1.00 0.00 C ATOM 1360 O PRO A 89 -7.533 8.707 6.575 1.00 0.00 O ATOM 1361 CB PRO A 89 -7.213 7.544 9.534 1.00 0.00 C ATOM 1362 CG PRO A 89 -7.344 8.363 10.814 1.00 0.00 C ATOM 1363 CD PRO A 89 -5.981 9.041 10.919 1.00 0.00 C ATOM 0 HA PRO A 89 -5.675 7.823 7.983 1.00 0.00 H new ATOM 0 HB2 PRO A 89 -8.186 7.354 9.081 1.00 0.00 H new ATOM 0 HB3 PRO A 89 -6.756 6.573 9.727 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -8.154 9.090 10.749 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -7.550 7.733 11.679 1.00 0.00 H new ATOM 0 HD2 PRO A 89 -6.057 9.996 11.439 1.00 0.00 H new ATOM 0 HD3 PRO A 89 -5.279 8.426 11.483 1.00 0.00 H new ATOM 1371 N GLU A 90 -7.509 10.480 7.938 1.00 0.00 N ATOM 1372 CA GLU A 90 -8.368 11.334 7.100 1.00 0.00 C ATOM 1373 C GLU A 90 -7.801 11.566 5.681 1.00 0.00 C ATOM 1374 O GLU A 90 -8.489 11.218 4.718 1.00 0.00 O ATOM 1375 CB GLU A 90 -8.700 12.654 7.821 1.00 0.00 C ATOM 1376 CG GLU A 90 -9.577 12.438 9.062 1.00 0.00 C ATOM 1377 CD GLU A 90 -9.968 13.783 9.703 1.00 0.00 C ATOM 1378 OE1 GLU A 90 -9.148 14.362 10.459 1.00 0.00 O ATOM 1379 OE2 GLU A 90 -11.101 14.269 9.463 1.00 0.00 O ATOM 0 H GLU A 90 -7.181 10.946 8.784 1.00 0.00 H new ATOM 0 HA GLU A 90 -9.301 10.791 6.949 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -7.774 13.147 8.115 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -9.212 13.324 7.130 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -10.476 11.888 8.785 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -9.041 11.827 9.788 1.00 0.00 H new ATOM 1386 N PRO A 91 -6.555 12.063 5.500 1.00 0.00 N ATOM 1387 CA PRO A 91 -5.954 12.268 4.174 1.00 0.00 C ATOM 1388 C PRO A 91 -5.599 10.975 3.420 1.00 0.00 C ATOM 1389 O PRO A 91 -5.117 11.049 2.293 1.00 0.00 O ATOM 1390 CB PRO A 91 -4.694 13.104 4.420 1.00 0.00 C ATOM 1391 CG PRO A 91 -4.285 12.731 5.839 1.00 0.00 C ATOM 1392 CD PRO A 91 -5.626 12.514 6.532 1.00 0.00 C ATOM 0 HA PRO A 91 -6.682 12.758 3.528 1.00 0.00 H new ATOM 0 HB2 PRO A 91 -3.909 12.867 3.702 1.00 0.00 H new ATOM 0 HB3 PRO A 91 -4.897 14.171 4.329 1.00 0.00 H new ATOM 0 HG2 PRO A 91 -3.669 11.832 5.859 1.00 0.00 H new ATOM 0 HG3 PRO A 91 -3.707 13.524 6.315 1.00 0.00 H new ATOM 0 HD2 PRO A 91 -5.537 11.772 7.326 1.00 0.00 H new ATOM 0 HD3 PRO A 91 -5.978 13.436 6.995 1.00 0.00 H new ATOM 1400 N VAL A 92 -5.832 9.805 4.020 1.00 0.00 N ATOM 1401 CA VAL A 92 -5.645 8.472 3.425 1.00 0.00 C ATOM 1402 C VAL A 92 -6.994 7.925 2.949 1.00 0.00 C ATOM 1403 O VAL A 92 -7.150 7.589 1.777 1.00 0.00 O ATOM 1404 CB VAL A 92 -4.967 7.516 4.431 1.00 0.00 C ATOM 1405 CG1 VAL A 92 -4.538 6.213 3.749 1.00 0.00 C ATOM 1406 CG2 VAL A 92 -3.717 8.109 5.100 1.00 0.00 C ATOM 0 H VAL A 92 -6.173 9.755 4.980 1.00 0.00 H new ATOM 0 HA VAL A 92 -4.985 8.554 2.561 1.00 0.00 H new ATOM 0 HB VAL A 92 -5.723 7.338 5.195 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -4.064 5.559 4.480 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -5.413 5.716 3.331 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -3.831 6.436 2.950 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -3.295 7.381 5.793 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -2.978 8.355 4.337 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -3.990 9.013 5.645 1.00 0.00 H new ATOM 1416 N LYS A 93 -8.002 7.877 3.827 1.00 0.00 N ATOM 1417 CA LYS A 93 -9.341 7.361 3.499 1.00 0.00 C ATOM 1418 C LYS A 93 -10.085 8.237 2.485 1.00 0.00 C ATOM 1419 O LYS A 93 -10.665 7.724 1.531 1.00 0.00 O ATOM 1420 CB LYS A 93 -10.184 7.164 4.777 1.00 0.00 C ATOM 1421 CG LYS A 93 -11.076 5.913 4.649 1.00 0.00 C ATOM 1422 CD LYS A 93 -12.414 5.962 5.404 1.00 0.00 C ATOM 1423 CE LYS A 93 -12.295 5.924 6.930 1.00 0.00 C ATOM 1424 NZ LYS A 93 -12.095 7.259 7.549 1.00 0.00 N ATOM 0 H LYS A 93 -7.914 8.196 4.792 1.00 0.00 H new ATOM 0 HA LYS A 93 -9.192 6.391 3.024 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -9.527 7.062 5.641 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -10.804 8.044 4.950 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -11.283 5.745 3.592 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -10.512 5.051 5.004 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -12.943 6.871 5.118 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -13.028 5.121 5.081 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -13.197 5.473 7.344 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -11.461 5.278 7.204 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -12.091 7.164 8.585 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -11.186 7.655 7.234 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -12.867 7.894 7.262 1.00 0.00 H new ATOM 1438 N ALA A 94 -10.058 9.557 2.683 1.00 0.00 N ATOM 1439 CA ALA A 94 -10.848 10.531 1.924 1.00 0.00 C ATOM 1440 C ALA A 94 -10.314 10.827 0.509 1.00 0.00 C ATOM 1441 O ALA A 94 -10.954 11.567 -0.243 1.00 0.00 O ATOM 1442 CB ALA A 94 -10.945 11.822 2.737 1.00 0.00 C ATOM 0 H ALA A 94 -9.470 9.990 3.395 1.00 0.00 H new ATOM 0 HA ALA A 94 -11.831 10.086 1.767 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -11.530 12.557 2.184 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -11.429 11.615 3.691 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -9.944 12.216 2.916 1.00 0.00 H new ATOM 1448 N ILE A 95 -9.167 10.247 0.124 1.00 0.00 N ATOM 1449 CA ILE A 95 -8.655 10.294 -1.257 1.00 0.00 C ATOM 1450 C ILE A 95 -9.725 9.790 -2.247 1.00 0.00 C ATOM 1451 O ILE A 95 -9.882 10.352 -3.335 1.00 0.00 O ATOM 1452 CB ILE A 95 -7.343 9.483 -1.407 1.00 0.00 C ATOM 1453 CG1 ILE A 95 -6.268 9.892 -0.377 1.00 0.00 C ATOM 1454 CG2 ILE A 95 -6.754 9.672 -2.817 1.00 0.00 C ATOM 1455 CD1 ILE A 95 -5.070 8.933 -0.320 1.00 0.00 C ATOM 0 H ILE A 95 -8.565 9.729 0.764 1.00 0.00 H new ATOM 0 HA ILE A 95 -8.426 11.334 -1.491 1.00 0.00 H new ATOM 0 HB ILE A 95 -7.609 8.440 -1.233 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -5.910 10.893 -0.617 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -6.726 9.946 0.611 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -5.833 9.096 -2.907 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -7.472 9.326 -3.561 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -6.540 10.728 -2.983 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -4.357 9.285 0.426 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -5.415 7.935 -0.049 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -4.586 8.897 -1.296 1.00 0.00 H new ATOM 1467 N CYS A 96 -10.511 8.784 -1.841 1.00 0.00 N ATOM 1468 CA CYS A 96 -11.679 8.292 -2.569 1.00 0.00 C ATOM 1469 C CYS A 96 -13.011 8.649 -1.883 1.00 0.00 C ATOM 1470 O CYS A 96 -13.070 8.888 -0.673 1.00 0.00 O ATOM 1471 CB CYS A 96 -11.549 6.779 -2.759 1.00 0.00 C ATOM 1472 SG CYS A 96 -11.342 5.773 -1.269 1.00 0.00 S ATOM 0 H CYS A 96 -10.343 8.278 -0.971 1.00 0.00 H new ATOM 0 HA CYS A 96 -11.702 8.789 -3.539 1.00 0.00 H new ATOM 0 HB2 CYS A 96 -12.437 6.427 -3.284 1.00 0.00 H new ATOM 0 HB3 CYS A 96 -10.697 6.593 -3.413 1.00 0.00 H new ATOM 1477 N LYS A 97 -14.097 8.652 -2.670 1.00 0.00 N ATOM 1478 CA LYS A 97 -15.475 8.926 -2.230 1.00 0.00 C ATOM 1479 C LYS A 97 -16.491 8.291 -3.192 1.00 0.00 C ATOM 1480 O LYS A 97 -16.657 8.753 -4.321 1.00 0.00 O ATOM 1481 CB LYS A 97 -15.667 10.455 -2.097 1.00 0.00 C ATOM 1482 CG LYS A 97 -16.922 10.879 -1.315 1.00 0.00 C ATOM 1483 CD LYS A 97 -16.899 10.403 0.149 1.00 0.00 C ATOM 1484 CE LYS A 97 -17.919 11.138 1.031 1.00 0.00 C ATOM 1485 NZ LYS A 97 -17.475 12.517 1.377 1.00 0.00 N ATOM 0 H LYS A 97 -14.038 8.456 -3.669 1.00 0.00 H new ATOM 0 HA LYS A 97 -15.650 8.473 -1.254 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -14.790 10.876 -1.606 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -15.713 10.890 -3.095 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -17.010 11.965 -1.338 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -17.806 10.477 -1.810 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -17.103 9.333 0.181 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -15.899 10.550 0.558 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -18.877 11.186 0.513 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -18.080 10.570 1.947 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -18.194 12.974 1.973 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -16.574 12.472 1.895 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -17.346 13.069 0.505 1.00 0.00 H new ATOM 1499 N GLY A 98 -17.112 7.185 -2.775 1.00 0.00 N ATOM 1500 CA GLY A 98 -18.081 6.415 -3.576 1.00 0.00 C ATOM 1501 C GLY A 98 -17.465 5.330 -4.474 1.00 0.00 C ATOM 1502 O GLY A 98 -18.191 4.654 -5.202 1.00 0.00 O ATOM 0 H GLY A 98 -16.955 6.786 -1.849 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -18.795 5.944 -2.900 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -18.644 7.107 -4.202 1.00 0.00 H new ATOM 1506 N ILE A 99 -16.139 5.145 -4.434 1.00 0.00 N ATOM 1507 CA ILE A 99 -15.399 4.178 -5.259 1.00 0.00 C ATOM 1508 C ILE A 99 -15.607 2.741 -4.754 1.00 0.00 C ATOM 1509 O ILE A 99 -15.252 2.401 -3.623 1.00 0.00 O ATOM 1510 CB ILE A 99 -13.900 4.562 -5.349 1.00 0.00 C ATOM 1511 CG1 ILE A 99 -13.767 5.943 -6.039 1.00 0.00 C ATOM 1512 CG2 ILE A 99 -13.099 3.488 -6.110 1.00 0.00 C ATOM 1513 CD1 ILE A 99 -12.331 6.430 -6.282 1.00 0.00 C ATOM 0 H ILE A 99 -15.534 5.678 -3.810 1.00 0.00 H new ATOM 0 HA ILE A 99 -15.800 4.214 -6.272 1.00 0.00 H new ATOM 0 HB ILE A 99 -13.487 4.623 -4.342 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -14.284 5.901 -6.998 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -14.284 6.684 -5.430 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -12.051 3.782 -6.159 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -13.184 2.534 -5.590 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -13.495 3.387 -7.121 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -12.355 7.405 -6.769 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -11.809 6.513 -5.329 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -11.809 5.718 -6.921 1.00 0.00 H new ATOM 1525 N ILE A 100 -16.158 1.889 -5.622 1.00 0.00 N ATOM 1526 CA ILE A 100 -16.333 0.431 -5.437 1.00 0.00 C ATOM 1527 C ILE A 100 -15.430 -0.364 -6.416 1.00 0.00 C ATOM 1528 O ILE A 100 -15.187 -1.555 -6.240 1.00 0.00 O ATOM 1529 CB ILE A 100 -17.838 0.048 -5.569 1.00 0.00 C ATOM 1530 CG1 ILE A 100 -18.759 1.070 -4.852 1.00 0.00 C ATOM 1531 CG2 ILE A 100 -18.102 -1.347 -4.978 1.00 0.00 C ATOM 1532 CD1 ILE A 100 -20.256 0.731 -4.822 1.00 0.00 C ATOM 0 H ILE A 100 -16.516 2.206 -6.523 1.00 0.00 H new ATOM 0 HA ILE A 100 -16.015 0.159 -4.430 1.00 0.00 H new ATOM 0 HB ILE A 100 -18.067 0.051 -6.635 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -18.413 1.181 -3.825 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -18.637 2.039 -5.336 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -19.159 -1.592 -5.082 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -17.504 -2.087 -5.510 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -17.830 -1.352 -3.922 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -20.797 1.517 -4.295 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -20.632 0.653 -5.842 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -20.404 -0.218 -4.307 1.00 0.00 H new ATOM 1544 N ALA A 101 -14.867 0.314 -7.422 1.00 0.00 N ATOM 1545 CA ALA A 101 -14.170 -0.238 -8.591 1.00 0.00 C ATOM 1546 C ALA A 101 -12.754 -0.816 -8.338 1.00 0.00 C ATOM 1547 O ALA A 101 -12.085 -1.217 -9.293 1.00 0.00 O ATOM 1548 CB ALA A 101 -14.123 0.878 -9.648 1.00 0.00 C ATOM 0 H ALA A 101 -14.887 1.334 -7.443 1.00 0.00 H new ATOM 0 HA ALA A 101 -14.733 -1.112 -8.917 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -13.612 0.514 -10.539 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -15.139 1.176 -9.908 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -13.585 1.737 -9.247 1.00 0.00 H new ATOM 1554 N SER A 102 -12.280 -0.862 -7.085 1.00 0.00 N ATOM 1555 CA SER A 102 -10.903 -1.221 -6.700 1.00 0.00 C ATOM 1556 C SER A 102 -9.832 -0.386 -7.439 1.00 0.00 C ATOM 1557 O SER A 102 -9.093 -0.887 -8.293 1.00 0.00 O ATOM 1558 CB SER A 102 -10.685 -2.735 -6.813 1.00 0.00 C ATOM 1559 OG SER A 102 -9.525 -3.112 -6.090 1.00 0.00 O ATOM 0 H SER A 102 -12.866 -0.642 -6.279 1.00 0.00 H new ATOM 0 HA SER A 102 -10.775 -0.958 -5.650 1.00 0.00 H new ATOM 0 HB2 SER A 102 -11.554 -3.266 -6.425 1.00 0.00 H new ATOM 0 HB3 SER A 102 -10.579 -3.019 -7.860 1.00 0.00 H new ATOM 0 HG SER A 102 -9.393 -4.080 -6.165 1.00 0.00 H new ATOM 1565 N LYS A 103 -9.763 0.921 -7.132 1.00 0.00 N ATOM 1566 CA LYS A 103 -8.831 1.910 -7.723 1.00 0.00 C ATOM 1567 C LYS A 103 -8.689 3.138 -6.816 1.00 0.00 C ATOM 1568 O LYS A 103 -9.605 3.442 -6.065 1.00 0.00 O ATOM 1569 CB LYS A 103 -9.368 2.304 -9.115 1.00 0.00 C ATOM 1570 CG LYS A 103 -8.419 3.223 -9.904 1.00 0.00 C ATOM 1571 CD LYS A 103 -8.728 3.236 -11.409 1.00 0.00 C ATOM 1572 CE LYS A 103 -8.225 1.954 -12.089 1.00 0.00 C ATOM 1573 NZ LYS A 103 -8.564 1.925 -13.536 1.00 0.00 N ATOM 0 H LYS A 103 -10.380 1.340 -6.436 1.00 0.00 H new ATOM 0 HA LYS A 103 -7.837 1.473 -7.822 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -9.549 1.399 -9.695 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -10.329 2.804 -8.996 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -8.492 4.238 -9.513 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -7.391 2.896 -9.750 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -9.803 3.334 -11.562 1.00 0.00 H new ATOM 0 HD3 LYS A 103 -8.259 4.105 -11.872 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -7.144 1.879 -11.968 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -8.662 1.086 -11.596 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 -8.207 1.044 -13.959 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 -9.597 1.971 -13.652 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 -8.126 2.739 -14.012 1.00 0.00 H new ATOM 1587 N ASN A 104 -7.569 3.854 -6.849 1.00 0.00 N ATOM 1588 CA ASN A 104 -7.437 5.192 -6.254 1.00 0.00 C ATOM 1589 C ASN A 104 -6.571 6.119 -7.132 1.00 0.00 C ATOM 1590 O ASN A 104 -6.215 5.769 -8.261 1.00 0.00 O ATOM 1591 CB ASN A 104 -6.873 5.049 -4.824 1.00 0.00 C ATOM 1592 CG ASN A 104 -7.507 5.996 -3.815 1.00 0.00 C ATOM 1593 OD1 ASN A 104 -8.052 7.031 -4.156 1.00 0.00 O ATOM 1594 ND2 ASN A 104 -7.441 5.668 -2.544 1.00 0.00 N ATOM 0 H ASN A 104 -6.713 3.522 -7.294 1.00 0.00 H new ATOM 0 HA ASN A 104 -8.418 5.663 -6.198 1.00 0.00 H new ATOM 0 HB2 ASN A 104 -7.020 4.023 -4.487 1.00 0.00 H new ATOM 0 HB3 ASN A 104 -5.798 5.226 -4.848 1.00 0.00 H new ATOM 0 HD21 ASN A 104 -7.847 6.281 -1.837 1.00 0.00 H new ATOM 0 HD22 ASN A 104 -6.984 4.800 -2.264 1.00 0.00 H new ATOM 1601 N VAL A 105 -6.212 7.292 -6.605 1.00 0.00 N ATOM 1602 CA VAL A 105 -5.280 8.256 -7.209 1.00 0.00 C ATOM 1603 C VAL A 105 -4.164 8.556 -6.202 1.00 0.00 C ATOM 1604 O VAL A 105 -4.417 8.640 -5.000 1.00 0.00 O ATOM 1605 CB VAL A 105 -6.022 9.550 -7.622 1.00 0.00 C ATOM 1606 CG1 VAL A 105 -5.128 10.478 -8.454 1.00 0.00 C ATOM 1607 CG2 VAL A 105 -7.273 9.265 -8.469 1.00 0.00 C ATOM 0 H VAL A 105 -6.576 7.613 -5.708 1.00 0.00 H new ATOM 0 HA VAL A 105 -4.845 7.831 -8.114 1.00 0.00 H new ATOM 0 HB VAL A 105 -6.305 10.024 -6.682 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -5.686 11.375 -8.724 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -4.251 10.758 -7.870 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -4.811 9.962 -9.360 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -7.756 10.206 -8.732 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -6.984 8.739 -9.379 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -7.967 8.648 -7.898 1.00 0.00 H new ATOM 1617 N LEU A 106 -2.926 8.724 -6.675 1.00 0.00 N ATOM 1618 CA LEU A 106 -1.802 9.240 -5.883 1.00 0.00 C ATOM 1619 C LEU A 106 -2.165 10.561 -5.168 1.00 0.00 C ATOM 1620 O LEU A 106 -2.827 11.429 -5.744 1.00 0.00 O ATOM 1621 CB LEU A 106 -0.599 9.422 -6.838 1.00 0.00 C ATOM 1622 CG LEU A 106 0.703 9.935 -6.195 1.00 0.00 C ATOM 1623 CD1 LEU A 106 1.355 8.862 -5.335 1.00 0.00 C ATOM 1624 CD2 LEU A 106 1.687 10.379 -7.273 1.00 0.00 C ATOM 0 H LEU A 106 -2.670 8.501 -7.637 1.00 0.00 H new ATOM 0 HA LEU A 106 -1.549 8.533 -5.093 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -0.392 8.464 -7.316 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -0.889 10.116 -7.627 1.00 0.00 H new ATOM 0 HG LEU A 106 0.444 10.783 -5.561 1.00 0.00 H new ATOM 0 HD11 LEU A 106 2.272 9.255 -4.895 1.00 0.00 H new ATOM 0 HD12 LEU A 106 0.670 8.566 -4.541 1.00 0.00 H new ATOM 0 HD13 LEU A 106 1.591 7.995 -5.952 1.00 0.00 H new ATOM 0 HD21 LEU A 106 2.603 10.739 -6.804 1.00 0.00 H new ATOM 0 HD22 LEU A 106 1.920 9.535 -7.923 1.00 0.00 H new ATOM 0 HD23 LEU A 106 1.243 11.180 -7.864 1.00 0.00 H new ATOM 1636 N THR A 107 -1.708 10.731 -3.922 1.00 0.00 N ATOM 1637 CA THR A 107 -1.856 11.993 -3.163 1.00 0.00 C ATOM 1638 C THR A 107 -1.126 13.187 -3.810 1.00 0.00 C ATOM 1639 O THR A 107 -0.363 13.042 -4.766 1.00 0.00 O ATOM 1640 CB THR A 107 -1.408 11.854 -1.689 1.00 0.00 C ATOM 1641 OG1 THR A 107 -0.727 10.656 -1.414 1.00 0.00 O ATOM 1642 CG2 THR A 107 -2.603 11.899 -0.741 1.00 0.00 C ATOM 0 H THR A 107 -1.222 9.999 -3.404 1.00 0.00 H new ATOM 0 HA THR A 107 -2.926 12.201 -3.188 1.00 0.00 H new ATOM 0 HB THR A 107 -0.733 12.696 -1.533 1.00 0.00 H new ATOM 0 HG1 THR A 107 -0.416 10.662 -0.485 1.00 0.00 H new ATOM 0 HG21 THR A 107 -2.256 11.799 0.287 1.00 0.00 H new ATOM 0 HG22 THR A 107 -3.124 12.849 -0.857 1.00 0.00 H new ATOM 0 HG23 THR A 107 -3.284 11.081 -0.975 1.00 0.00 H new ATOM 1650 N THR A 108 -1.333 14.390 -3.263 1.00 0.00 N ATOM 1651 CA THR A 108 -0.714 15.653 -3.733 1.00 0.00 C ATOM 1652 C THR A 108 0.177 16.326 -2.675 1.00 0.00 C ATOM 1653 O THR A 108 1.200 16.926 -3.015 1.00 0.00 O ATOM 1654 CB THR A 108 -1.799 16.604 -4.281 1.00 0.00 C ATOM 1655 OG1 THR A 108 -1.222 17.725 -4.915 1.00 0.00 O ATOM 1656 CG2 THR A 108 -2.769 17.132 -3.220 1.00 0.00 C ATOM 0 H THR A 108 -1.949 14.525 -2.461 1.00 0.00 H new ATOM 0 HA THR A 108 -0.035 15.400 -4.548 1.00 0.00 H new ATOM 0 HB THR A 108 -2.361 15.990 -4.984 1.00 0.00 H new ATOM 0 HG1 THR A 108 -1.931 18.310 -5.254 1.00 0.00 H new ATOM 0 HG21 THR A 108 -3.498 17.792 -3.690 1.00 0.00 H new ATOM 0 HG22 THR A 108 -3.286 16.295 -2.751 1.00 0.00 H new ATOM 0 HG23 THR A 108 -2.214 17.685 -2.463 1.00 0.00 H new ATOM 1664 N SER A 109 -0.157 16.169 -1.390 1.00 0.00 N ATOM 1665 CA SER A 109 0.619 16.652 -0.235 1.00 0.00 C ATOM 1666 C SER A 109 1.876 15.807 0.018 1.00 0.00 C ATOM 1667 O SER A 109 2.057 14.741 -0.569 1.00 0.00 O ATOM 1668 CB SER A 109 -0.267 16.639 1.020 1.00 0.00 C ATOM 1669 OG SER A 109 -1.457 17.386 0.814 1.00 0.00 O ATOM 0 H SER A 109 -1.009 15.683 -1.111 1.00 0.00 H new ATOM 0 HA SER A 109 0.945 17.667 -0.461 1.00 0.00 H new ATOM 0 HB2 SER A 109 -0.520 15.611 1.280 1.00 0.00 H new ATOM 0 HB3 SER A 109 0.285 17.054 1.863 1.00 0.00 H new ATOM 0 HG SER A 109 -2.004 17.361 1.627 1.00 0.00 H new ATOM 1675 N GLU A 110 2.755 16.264 0.914 1.00 0.00 N ATOM 1676 CA GLU A 110 4.042 15.622 1.214 1.00 0.00 C ATOM 1677 C GLU A 110 4.139 15.212 2.693 1.00 0.00 C ATOM 1678 O GLU A 110 4.338 16.043 3.582 1.00 0.00 O ATOM 1679 CB GLU A 110 5.214 16.507 0.759 1.00 0.00 C ATOM 1680 CG GLU A 110 5.056 16.957 -0.702 1.00 0.00 C ATOM 1681 CD GLU A 110 6.365 17.490 -1.314 1.00 0.00 C ATOM 1682 OE1 GLU A 110 7.002 18.399 -0.726 1.00 0.00 O ATOM 1683 OE2 GLU A 110 6.739 17.026 -2.420 1.00 0.00 O ATOM 0 H GLU A 110 2.590 17.108 1.463 1.00 0.00 H new ATOM 0 HA GLU A 110 4.105 14.697 0.641 1.00 0.00 H new ATOM 0 HB2 GLU A 110 5.280 17.383 1.404 1.00 0.00 H new ATOM 0 HB3 GLU A 110 6.149 15.958 0.871 1.00 0.00 H new ATOM 0 HG2 GLU A 110 4.699 16.117 -1.298 1.00 0.00 H new ATOM 0 HG3 GLU A 110 4.293 17.734 -0.756 1.00 0.00 H new ATOM 1690 N PHE A 111 3.949 13.918 2.951 1.00 0.00 N ATOM 1691 CA PHE A 111 3.898 13.300 4.282 1.00 0.00 C ATOM 1692 C PHE A 111 5.268 12.735 4.678 1.00 0.00 C ATOM 1693 O PHE A 111 6.119 12.494 3.820 1.00 0.00 O ATOM 1694 CB PHE A 111 2.844 12.177 4.293 1.00 0.00 C ATOM 1695 CG PHE A 111 1.519 12.542 3.648 1.00 0.00 C ATOM 1696 CD1 PHE A 111 1.379 12.406 2.255 1.00 0.00 C ATOM 1697 CD2 PHE A 111 0.430 13.001 4.413 1.00 0.00 C ATOM 1698 CE1 PHE A 111 0.174 12.742 1.625 1.00 0.00 C ATOM 1699 CE2 PHE A 111 -0.785 13.332 3.780 1.00 0.00 C ATOM 1700 CZ PHE A 111 -0.912 13.201 2.385 1.00 0.00 C ATOM 0 H PHE A 111 3.820 13.237 2.203 1.00 0.00 H new ATOM 0 HA PHE A 111 3.622 14.065 5.007 1.00 0.00 H new ATOM 0 HB2 PHE A 111 3.255 11.307 3.780 1.00 0.00 H new ATOM 0 HB3 PHE A 111 2.660 11.880 5.326 1.00 0.00 H new ATOM 0 HD1 PHE A 111 2.207 12.040 1.667 1.00 0.00 H new ATOM 0 HD2 PHE A 111 0.526 13.099 5.484 1.00 0.00 H new ATOM 0 HE1 PHE A 111 0.081 12.648 0.553 1.00 0.00 H new ATOM 0 HE2 PHE A 111 -1.620 13.687 4.367 1.00 0.00 H new ATOM 0 HZ PHE A 111 -1.844 13.453 1.900 1.00 0.00 H new ATOM 1710 N TYR A 112 5.481 12.489 5.972 1.00 0.00 N ATOM 1711 CA TYR A 112 6.731 11.936 6.500 1.00 0.00 C ATOM 1712 C TYR A 112 6.835 10.435 6.179 1.00 0.00 C ATOM 1713 O TYR A 112 6.208 9.598 6.835 1.00 0.00 O ATOM 1714 CB TYR A 112 6.826 12.236 8.008 1.00 0.00 C ATOM 1715 CG TYR A 112 7.671 13.443 8.382 1.00 0.00 C ATOM 1716 CD1 TYR A 112 7.571 14.648 7.657 1.00 0.00 C ATOM 1717 CD2 TYR A 112 8.555 13.358 9.476 1.00 0.00 C ATOM 1718 CE1 TYR A 112 8.375 15.752 8.005 1.00 0.00 C ATOM 1719 CE2 TYR A 112 9.359 14.459 9.830 1.00 0.00 C ATOM 1720 CZ TYR A 112 9.275 15.659 9.090 1.00 0.00 C ATOM 1721 OH TYR A 112 10.051 16.730 9.418 1.00 0.00 O ATOM 0 H TYR A 112 4.782 12.670 6.692 1.00 0.00 H new ATOM 0 HA TYR A 112 7.584 12.412 6.017 1.00 0.00 H new ATOM 0 HB2 TYR A 112 5.818 12.386 8.395 1.00 0.00 H new ATOM 0 HB3 TYR A 112 7.234 11.359 8.510 1.00 0.00 H new ATOM 0 HD1 TYR A 112 6.877 14.725 6.833 1.00 0.00 H new ATOM 0 HD2 TYR A 112 8.616 12.443 10.047 1.00 0.00 H new ATOM 0 HE1 TYR A 112 8.303 16.670 7.441 1.00 0.00 H new ATOM 0 HE2 TYR A 112 10.039 14.386 10.666 1.00 0.00 H new ATOM 0 HH TYR A 112 10.614 16.503 10.188 1.00 0.00 H new ATOM 1731 N LEU A 113 7.621 10.095 5.155 1.00 0.00 N ATOM 1732 CA LEU A 113 7.844 8.722 4.686 1.00 0.00 C ATOM 1733 C LEU A 113 9.124 8.104 5.276 1.00 0.00 C ATOM 1734 O LEU A 113 10.213 8.681 5.222 1.00 0.00 O ATOM 1735 CB LEU A 113 7.833 8.688 3.145 1.00 0.00 C ATOM 1736 CG LEU A 113 6.530 8.138 2.534 1.00 0.00 C ATOM 1737 CD1 LEU A 113 6.337 6.650 2.814 1.00 0.00 C ATOM 1738 CD2 LEU A 113 5.279 8.903 2.971 1.00 0.00 C ATOM 0 H LEU A 113 8.136 10.787 4.612 1.00 0.00 H new ATOM 0 HA LEU A 113 7.025 8.099 5.047 1.00 0.00 H new ATOM 0 HB2 LEU A 113 7.999 9.698 2.769 1.00 0.00 H new ATOM 0 HB3 LEU A 113 8.668 8.078 2.800 1.00 0.00 H new ATOM 0 HG LEU A 113 6.652 8.284 1.461 1.00 0.00 H new ATOM 0 HD11 LEU A 113 5.404 6.313 2.362 1.00 0.00 H new ATOM 0 HD12 LEU A 113 7.170 6.089 2.390 1.00 0.00 H new ATOM 0 HD13 LEU A 113 6.299 6.484 3.891 1.00 0.00 H new ATOM 0 HD21 LEU A 113 4.400 8.461 2.502 1.00 0.00 H new ATOM 0 HD22 LEU A 113 5.179 8.848 4.055 1.00 0.00 H new ATOM 0 HD23 LEU A 113 5.366 9.946 2.667 1.00 0.00 H new ATOM 1750 N SER A 114 8.980 6.907 5.845 1.00 0.00 N ATOM 1751 CA SER A 114 10.012 6.184 6.592 1.00 0.00 C ATOM 1752 C SER A 114 10.144 4.747 6.079 1.00 0.00 C ATOM 1753 O SER A 114 9.366 3.861 6.441 1.00 0.00 O ATOM 1754 CB SER A 114 9.662 6.245 8.080 1.00 0.00 C ATOM 1755 OG SER A 114 10.614 5.574 8.887 1.00 0.00 O ATOM 0 H SER A 114 8.102 6.391 5.796 1.00 0.00 H new ATOM 0 HA SER A 114 10.986 6.650 6.445 1.00 0.00 H new ATOM 0 HB2 SER A 114 9.595 7.287 8.392 1.00 0.00 H new ATOM 0 HB3 SER A 114 8.679 5.801 8.238 1.00 0.00 H new ATOM 0 HG SER A 114 10.173 5.220 9.687 1.00 0.00 H new ATOM 1761 N ASP A 115 11.101 4.514 5.180 1.00 0.00 N ATOM 1762 CA ASP A 115 11.463 3.175 4.705 1.00 0.00 C ATOM 1763 C ASP A 115 12.637 2.585 5.512 1.00 0.00 C ATOM 1764 O ASP A 115 13.464 3.304 6.078 1.00 0.00 O ATOM 1765 CB ASP A 115 11.832 3.236 3.216 1.00 0.00 C ATOM 1766 CG ASP A 115 10.607 3.473 2.325 1.00 0.00 C ATOM 1767 OD1 ASP A 115 9.882 2.488 2.049 1.00 0.00 O ATOM 1768 OD2 ASP A 115 10.388 4.625 1.881 1.00 0.00 O ATOM 0 H ASP A 115 11.654 5.258 4.755 1.00 0.00 H new ATOM 0 HA ASP A 115 10.601 2.523 4.845 1.00 0.00 H new ATOM 0 HB2 ASP A 115 12.556 4.035 3.055 1.00 0.00 H new ATOM 0 HB3 ASP A 115 12.316 2.304 2.925 1.00 0.00 H new ATOM 1773 N CYS A 116 12.752 1.257 5.508 1.00 0.00 N ATOM 1774 CA CYS A 116 13.933 0.529 5.983 1.00 0.00 C ATOM 1775 C CYS A 116 14.108 -0.748 5.163 1.00 0.00 C ATOM 1776 O CYS A 116 13.221 -1.597 5.163 1.00 0.00 O ATOM 1777 CB CYS A 116 13.817 0.228 7.485 1.00 0.00 C ATOM 1778 SG CYS A 116 14.917 1.257 8.496 1.00 0.00 S ATOM 0 H CYS A 116 12.012 0.643 5.168 1.00 0.00 H new ATOM 0 HA CYS A 116 14.820 1.148 5.848 1.00 0.00 H new ATOM 0 HB2 CYS A 116 12.786 0.384 7.804 1.00 0.00 H new ATOM 0 HB3 CYS A 116 14.048 -0.823 7.659 1.00 0.00 H new ATOM 1783 N ASN A 117 15.226 -0.869 4.443 1.00 0.00 N ATOM 1784 CA ASN A 117 15.537 -2.007 3.571 1.00 0.00 C ATOM 1785 C ASN A 117 16.614 -2.887 4.217 1.00 0.00 C ATOM 1786 O ASN A 117 17.577 -2.367 4.778 1.00 0.00 O ATOM 1787 CB ASN A 117 15.999 -1.482 2.197 1.00 0.00 C ATOM 1788 CG ASN A 117 14.870 -1.027 1.292 1.00 0.00 C ATOM 1789 OD1 ASN A 117 14.538 -1.675 0.312 1.00 0.00 O ATOM 1790 ND2 ASN A 117 14.266 0.109 1.563 1.00 0.00 N ATOM 0 H ASN A 117 15.960 -0.160 4.450 1.00 0.00 H new ATOM 0 HA ASN A 117 14.646 -2.619 3.431 1.00 0.00 H new ATOM 0 HB2 ASN A 117 16.684 -0.648 2.351 1.00 0.00 H new ATOM 0 HB3 ASN A 117 16.561 -2.267 1.691 1.00 0.00 H new ATOM 0 HD21 ASN A 117 13.521 0.448 0.955 1.00 0.00 H new ATOM 0 HD22 ASN A 117 14.543 0.651 2.382 1.00 0.00 H new ATOM 1797 N VAL A 118 16.469 -4.211 4.146 1.00 0.00 N ATOM 1798 CA VAL A 118 17.454 -5.172 4.680 1.00 0.00 C ATOM 1799 C VAL A 118 18.822 -5.023 3.992 1.00 0.00 C ATOM 1800 O VAL A 118 18.906 -4.714 2.800 1.00 0.00 O ATOM 1801 CB VAL A 118 16.898 -6.608 4.565 1.00 0.00 C ATOM 1802 CG1 VAL A 118 17.940 -7.726 4.718 1.00 0.00 C ATOM 1803 CG2 VAL A 118 15.834 -6.851 5.638 1.00 0.00 C ATOM 0 H VAL A 118 15.660 -4.657 3.714 1.00 0.00 H new ATOM 0 HA VAL A 118 17.619 -4.955 5.735 1.00 0.00 H new ATOM 0 HB VAL A 118 16.500 -6.658 3.551 1.00 0.00 H new ATOM 0 HG11 VAL A 118 17.451 -8.695 4.622 1.00 0.00 H new ATOM 0 HG12 VAL A 118 18.699 -7.624 3.943 1.00 0.00 H new ATOM 0 HG13 VAL A 118 18.411 -7.653 5.698 1.00 0.00 H new ATOM 0 HG21 VAL A 118 15.450 -7.867 5.546 1.00 0.00 H new ATOM 0 HG22 VAL A 118 16.276 -6.718 6.625 1.00 0.00 H new ATOM 0 HG23 VAL A 118 15.017 -6.141 5.508 1.00 0.00 H new ATOM 1813 N THR A 119 19.907 -5.268 4.736 1.00 0.00 N ATOM 1814 CA THR A 119 21.294 -5.301 4.227 1.00 0.00 C ATOM 1815 C THR A 119 22.084 -6.471 4.830 1.00 0.00 C ATOM 1816 O THR A 119 22.717 -6.379 5.885 1.00 0.00 O ATOM 1817 CB THR A 119 21.997 -3.933 4.347 1.00 0.00 C ATOM 1818 OG1 THR A 119 23.343 -3.995 3.921 1.00 0.00 O ATOM 1819 CG2 THR A 119 21.960 -3.302 5.738 1.00 0.00 C ATOM 0 H THR A 119 19.849 -5.455 5.737 1.00 0.00 H new ATOM 0 HA THR A 119 21.252 -5.494 3.155 1.00 0.00 H new ATOM 0 HB THR A 119 21.411 -3.291 3.689 1.00 0.00 H new ATOM 0 HG1 THR A 119 23.755 -3.110 4.010 1.00 0.00 H new ATOM 0 HG21 THR A 119 22.480 -2.344 5.717 1.00 0.00 H new ATOM 0 HG22 THR A 119 20.924 -3.146 6.039 1.00 0.00 H new ATOM 0 HG23 THR A 119 22.449 -3.965 6.452 1.00 0.00 H new ATOM 1827 N SER A 120 21.993 -7.616 4.148 1.00 0.00 N ATOM 1828 CA SER A 120 22.724 -8.867 4.436 1.00 0.00 C ATOM 1829 C SER A 120 24.239 -8.739 4.217 1.00 0.00 C ATOM 1830 O SER A 120 24.658 -8.217 3.158 1.00 0.00 O ATOM 1831 CB SER A 120 22.186 -10.010 3.571 1.00 0.00 C ATOM 1832 OG SER A 120 20.802 -10.198 3.828 1.00 0.00 O ATOM 1833 OXT SER A 120 25.006 -9.192 5.096 1.00 0.00 O ATOM 0 H SER A 120 21.379 -7.707 3.339 1.00 0.00 H new ATOM 0 HA SER A 120 22.560 -9.082 5.492 1.00 0.00 H new ATOM 0 HB2 SER A 120 22.342 -9.784 2.516 1.00 0.00 H new ATOM 0 HB3 SER A 120 22.733 -10.928 3.785 1.00 0.00 H new ATOM 0 HG SER A 120 20.462 -10.929 3.271 1.00 0.00 H new