USER MOD reduce.3.24.130724 H: found=0, std=0, add=566, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 564 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 48 LYS NZ :NH3+ -140:sc= 1.09 (180deg=0.26) USER MOD Set 1.2: A 65 THR OG1 : rot -160:sc= -0.0006 USER MOD Set 2.1: A 16 ASN :FLIP amide:sc= -2.06 F(o=-3!,f=-1.8) USER MOD Set 2.2: A 23 THR OG1 : rot -65:sc= 0.25 USER MOD Single : A 1 GLY N :NH3+ -114:sc= 0.062 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot 180:sc= -0.275 USER MOD Single : A 12 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 13 ASN : amide:sc= 0.539 K(o=0.54,f=-3.3!) USER MOD Single : A 18 THR OG1 : rot 85:sc= 0.114 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 180:sc=6.97e-05 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot 130:sc= 0 USER MOD Single : A 35 ASN : amide:sc= 0.471 K(o=0.47,f=-0.041) USER MOD Single : A 38 ASN : amide:sc= -2.38 X(o=-2.4,f=-2.2) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot -49:sc= 0.00874 USER MOD Single : A 45 CYS SG : rot -50:sc= -1.14 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ -134:sc= -1.92 (180deg=-3.36!) USER MOD Single : A 52 SER OG : rot 84:sc= 0.804 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 54 MET CE :methyl -166:sc= -0.0266 (180deg=-0.245) USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 73 ASN : amide:sc= -4.35! C(o=-4.3!,f=-5.6!) USER MOD Single : A 74 GLN : amide:sc= -0.85 K(o=-0.85,f=-4.4!) USER MOD Single : A 75 THR OG1 : rot 80:sc= 0.532 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ -150:sc= -0.146 (180deg=-1.37!) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 83 SER OG : rot 180:sc= -0.0946 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -20.145 45.575 -12.752 1.00 0.00 N ATOM 2 CA GLY A 1 -20.347 44.277 -13.369 1.00 0.00 C ATOM 3 C GLY A 1 -20.023 43.132 -12.429 1.00 0.00 C ATOM 4 O GLY A 1 -19.309 43.312 -11.443 1.00 0.00 O ATOM 0 H1 GLY A 1 -21.060 46.059 -12.655 1.00 0.00 H new ATOM 0 H2 GLY A 1 -19.718 45.450 -11.812 1.00 0.00 H new ATOM 0 H3 GLY A 1 -19.512 46.147 -13.346 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -21.383 44.191 -13.698 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -19.723 44.200 -14.259 1.00 0.00 H new ATOM 8 N SER A 2 -20.549 41.951 -12.735 1.00 0.00 N ATOM 9 CA SER A 2 -20.317 40.773 -11.908 1.00 0.00 C ATOM 10 C SER A 2 -19.287 39.850 -12.553 1.00 0.00 C ATOM 11 O SER A 2 -19.239 39.715 -13.776 1.00 0.00 O ATOM 12 CB SER A 2 -21.627 40.015 -11.683 1.00 0.00 C ATOM 13 OG SER A 2 -21.966 39.235 -12.816 1.00 0.00 O ATOM 0 H SER A 2 -21.139 41.784 -13.550 1.00 0.00 H new ATOM 0 HA SER A 2 -19.928 41.107 -10.946 1.00 0.00 H new ATOM 0 HB2 SER A 2 -21.532 39.370 -10.809 1.00 0.00 H new ATOM 0 HB3 SER A 2 -22.429 40.723 -11.472 1.00 0.00 H new ATOM 0 HG SER A 2 -22.806 38.759 -12.646 1.00 0.00 H new ATOM 19 N SER A 3 -18.465 39.218 -11.722 1.00 0.00 N ATOM 20 CA SER A 3 -17.433 38.311 -12.210 1.00 0.00 C ATOM 21 C SER A 3 -17.829 36.858 -11.970 1.00 0.00 C ATOM 22 O SER A 3 -18.718 36.569 -11.170 1.00 0.00 O ATOM 23 CB SER A 3 -16.098 38.608 -11.524 1.00 0.00 C ATOM 24 OG SER A 3 -16.079 38.097 -10.202 1.00 0.00 O ATOM 0 H SER A 3 -18.494 39.317 -10.707 1.00 0.00 H new ATOM 0 HA SER A 3 -17.325 38.467 -13.283 1.00 0.00 H new ATOM 0 HB2 SER A 3 -15.284 38.167 -12.099 1.00 0.00 H new ATOM 0 HB3 SER A 3 -15.928 39.684 -11.504 1.00 0.00 H new ATOM 0 HG SER A 3 -15.215 38.298 -9.786 1.00 0.00 H new ATOM 30 N GLY A 4 -17.162 35.946 -12.671 1.00 0.00 N ATOM 31 CA GLY A 4 -17.458 34.533 -12.521 1.00 0.00 C ATOM 32 C GLY A 4 -16.278 33.747 -11.985 1.00 0.00 C ATOM 33 O GLY A 4 -15.295 33.530 -12.692 1.00 0.00 O ATOM 0 H GLY A 4 -16.422 36.160 -13.340 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -18.307 34.412 -11.848 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -17.756 34.123 -13.486 1.00 0.00 H new ATOM 37 N SER A 5 -16.375 33.321 -10.729 1.00 0.00 N ATOM 38 CA SER A 5 -15.305 32.559 -10.096 1.00 0.00 C ATOM 39 C SER A 5 -15.817 31.210 -9.601 1.00 0.00 C ATOM 40 O SER A 5 -16.486 31.128 -8.571 1.00 0.00 O ATOM 41 CB SER A 5 -14.708 33.350 -8.930 1.00 0.00 C ATOM 42 OG SER A 5 -13.686 32.612 -8.284 1.00 0.00 O ATOM 0 H SER A 5 -17.183 33.491 -10.130 1.00 0.00 H new ATOM 0 HA SER A 5 -14.529 32.382 -10.841 1.00 0.00 H new ATOM 0 HB2 SER A 5 -14.304 34.294 -9.296 1.00 0.00 H new ATOM 0 HB3 SER A 5 -15.492 33.595 -8.214 1.00 0.00 H new ATOM 0 HG SER A 5 -13.320 33.139 -7.544 1.00 0.00 H new ATOM 48 N SER A 6 -15.498 30.154 -10.343 1.00 0.00 N ATOM 49 CA SER A 6 -15.929 28.809 -9.982 1.00 0.00 C ATOM 50 C SER A 6 -15.504 28.465 -8.558 1.00 0.00 C ATOM 51 O SER A 6 -14.426 28.853 -8.109 1.00 0.00 O ATOM 52 CB SER A 6 -15.348 27.786 -10.960 1.00 0.00 C ATOM 53 OG SER A 6 -15.663 26.463 -10.561 1.00 0.00 O ATOM 0 H SER A 6 -14.943 30.204 -11.197 1.00 0.00 H new ATOM 0 HA SER A 6 -17.017 28.777 -10.035 1.00 0.00 H new ATOM 0 HB2 SER A 6 -15.740 27.971 -11.960 1.00 0.00 H new ATOM 0 HB3 SER A 6 -14.266 27.905 -11.015 1.00 0.00 H new ATOM 0 HG SER A 6 -15.282 25.828 -11.203 1.00 0.00 H new ATOM 59 N GLY A 7 -16.361 27.735 -7.851 1.00 0.00 N ATOM 60 CA GLY A 7 -16.058 27.351 -6.485 1.00 0.00 C ATOM 61 C GLY A 7 -16.732 26.054 -6.084 1.00 0.00 C ATOM 62 O GLY A 7 -17.721 26.061 -5.351 1.00 0.00 O ATOM 0 H GLY A 7 -17.260 27.403 -8.200 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -14.979 27.246 -6.371 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -16.374 28.145 -5.809 1.00 0.00 H new ATOM 66 N ARG A 8 -16.197 24.937 -6.566 1.00 0.00 N ATOM 67 CA ARG A 8 -16.755 23.627 -6.256 1.00 0.00 C ATOM 68 C ARG A 8 -15.846 22.513 -6.769 1.00 0.00 C ATOM 69 O ARG A 8 -15.220 22.645 -7.821 1.00 0.00 O ATOM 70 CB ARG A 8 -18.149 23.484 -6.868 1.00 0.00 C ATOM 71 CG ARG A 8 -18.141 23.384 -8.385 1.00 0.00 C ATOM 72 CD ARG A 8 -19.529 23.087 -8.931 1.00 0.00 C ATOM 73 NE ARG A 8 -20.460 24.186 -8.687 1.00 0.00 N ATOM 74 CZ ARG A 8 -20.404 25.351 -9.322 1.00 0.00 C ATOM 75 NH1 ARG A 8 -19.468 25.568 -10.235 1.00 0.00 N ATOM 76 NH2 ARG A 8 -21.287 26.302 -9.044 1.00 0.00 N ATOM 0 H ARG A 8 -15.378 24.913 -7.173 1.00 0.00 H new ATOM 0 HA ARG A 8 -16.831 23.541 -5.172 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -18.628 22.596 -6.456 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -18.756 24.340 -6.572 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -17.774 24.318 -8.810 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -17.451 22.599 -8.695 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -19.464 22.898 -10.003 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -19.913 22.177 -8.469 1.00 0.00 H new ATOM 0 HE ARG A 8 -21.193 24.051 -7.991 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -18.788 24.839 -10.452 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -19.428 26.464 -10.721 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -22.009 26.138 -8.342 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -21.244 27.197 -9.532 1.00 0.00 H new ATOM 90 N TYR A 9 -15.779 21.419 -6.020 1.00 0.00 N ATOM 91 CA TYR A 9 -14.945 20.284 -6.398 1.00 0.00 C ATOM 92 C TYR A 9 -15.714 18.973 -6.259 1.00 0.00 C ATOM 93 O TYR A 9 -16.674 18.864 -5.496 1.00 0.00 O ATOM 94 CB TYR A 9 -13.683 20.242 -5.534 1.00 0.00 C ATOM 95 CG TYR A 9 -13.941 20.529 -4.072 1.00 0.00 C ATOM 96 CD1 TYR A 9 -14.180 21.825 -3.630 1.00 0.00 C ATOM 97 CD2 TYR A 9 -13.943 19.506 -3.132 1.00 0.00 C ATOM 98 CE1 TYR A 9 -14.415 22.092 -2.295 1.00 0.00 C ATOM 99 CE2 TYR A 9 -14.178 19.764 -1.796 1.00 0.00 C ATOM 100 CZ TYR A 9 -14.413 21.058 -1.382 1.00 0.00 C ATOM 101 OH TYR A 9 -14.646 21.320 -0.052 1.00 0.00 O ATOM 0 H TYR A 9 -16.292 21.293 -5.147 1.00 0.00 H new ATOM 0 HA TYR A 9 -14.659 20.407 -7.442 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -13.222 19.259 -5.627 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -12.966 20.968 -5.917 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -14.182 22.637 -4.342 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -13.758 18.491 -3.452 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -14.599 23.105 -1.968 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -14.178 18.956 -1.079 1.00 0.00 H new ATOM 0 HH TYR A 9 -14.611 20.483 0.457 1.00 0.00 H new ATOM 111 N PRO A 10 -15.282 17.953 -7.015 1.00 0.00 N ATOM 112 CA PRO A 10 -15.913 16.630 -6.995 1.00 0.00 C ATOM 113 C PRO A 10 -15.668 15.891 -5.683 1.00 0.00 C ATOM 114 O PRO A 10 -14.755 16.229 -4.929 1.00 0.00 O ATOM 115 CB PRO A 10 -15.237 15.896 -8.156 1.00 0.00 C ATOM 116 CG PRO A 10 -13.918 16.571 -8.314 1.00 0.00 C ATOM 117 CD PRO A 10 -14.143 18.012 -7.947 1.00 0.00 C ATOM 0 HA PRO A 10 -16.997 16.694 -7.087 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -15.115 14.835 -7.937 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -15.830 15.967 -9.068 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -13.167 16.116 -7.668 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -13.554 16.481 -9.337 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -13.262 18.449 -7.477 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -14.372 18.619 -8.823 1.00 0.00 H new ATOM 125 N THR A 11 -16.488 14.879 -5.417 1.00 0.00 N ATOM 126 CA THR A 11 -16.361 14.093 -4.197 1.00 0.00 C ATOM 127 C THR A 11 -16.972 12.707 -4.370 1.00 0.00 C ATOM 128 O THR A 11 -18.061 12.563 -4.925 1.00 0.00 O ATOM 129 CB THR A 11 -17.037 14.794 -3.004 1.00 0.00 C ATOM 130 OG1 THR A 11 -16.561 16.140 -2.893 1.00 0.00 O ATOM 131 CG2 THR A 11 -16.761 14.045 -1.709 1.00 0.00 C ATOM 0 H THR A 11 -17.248 14.585 -6.031 1.00 0.00 H new ATOM 0 HA THR A 11 -15.295 13.995 -3.994 1.00 0.00 H new ATOM 0 HB THR A 11 -18.113 14.803 -3.178 1.00 0.00 H new ATOM 0 HG1 THR A 11 -16.997 16.579 -2.133 1.00 0.00 H new ATOM 0 HG21 THR A 11 -17.248 14.559 -0.880 1.00 0.00 H new ATOM 0 HG22 THR A 11 -17.150 13.030 -1.786 1.00 0.00 H new ATOM 0 HG23 THR A 11 -15.686 14.009 -1.532 1.00 0.00 H new ATOM 139 N ASN A 12 -16.265 11.689 -3.890 1.00 0.00 N ATOM 140 CA ASN A 12 -16.739 10.314 -3.992 1.00 0.00 C ATOM 141 C ASN A 12 -16.178 9.460 -2.859 1.00 0.00 C ATOM 142 O ASN A 12 -15.017 9.602 -2.477 1.00 0.00 O ATOM 143 CB ASN A 12 -16.342 9.714 -5.342 1.00 0.00 C ATOM 144 CG ASN A 12 -17.231 8.552 -5.743 1.00 0.00 C ATOM 145 OD1 ASN A 12 -18.233 8.733 -6.435 1.00 0.00 O ATOM 146 ND2 ASN A 12 -16.867 7.352 -5.308 1.00 0.00 N ATOM 0 H ASN A 12 -15.362 11.791 -3.427 1.00 0.00 H new ATOM 0 HA ASN A 12 -17.826 10.324 -3.912 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -16.392 10.487 -6.109 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -15.307 9.377 -5.296 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -17.426 6.532 -5.545 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -16.028 7.249 -4.737 1.00 0.00 H new ATOM 153 N ASN A 13 -17.011 8.572 -2.326 1.00 0.00 N ATOM 154 CA ASN A 13 -16.599 7.694 -1.236 1.00 0.00 C ATOM 155 C ASN A 13 -15.221 7.100 -1.509 1.00 0.00 C ATOM 156 O ASN A 13 -14.881 6.791 -2.651 1.00 0.00 O ATOM 157 CB ASN A 13 -17.621 6.573 -1.042 1.00 0.00 C ATOM 158 CG ASN A 13 -19.038 7.098 -0.915 1.00 0.00 C ATOM 159 OD1 ASN A 13 -19.590 7.662 -1.860 1.00 0.00 O ATOM 160 ND2 ASN A 13 -19.635 6.914 0.257 1.00 0.00 N ATOM 0 H ASN A 13 -17.975 8.441 -2.631 1.00 0.00 H new ATOM 0 HA ASN A 13 -16.545 8.288 -0.324 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -17.566 5.885 -1.885 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -17.366 6.003 -0.148 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -20.589 7.245 0.401 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -19.140 6.441 1.013 1.00 0.00 H new ATOM 167 N PHE A 14 -14.431 6.941 -0.452 1.00 0.00 N ATOM 168 CA PHE A 14 -13.089 6.384 -0.576 1.00 0.00 C ATOM 169 C PHE A 14 -12.906 5.193 0.360 1.00 0.00 C ATOM 170 O PHE A 14 -12.689 5.359 1.559 1.00 0.00 O ATOM 171 CB PHE A 14 -12.039 7.454 -0.270 1.00 0.00 C ATOM 172 CG PHE A 14 -12.394 8.325 0.901 1.00 0.00 C ATOM 173 CD1 PHE A 14 -13.193 9.444 0.731 1.00 0.00 C ATOM 174 CD2 PHE A 14 -11.930 8.023 2.171 1.00 0.00 C ATOM 175 CE1 PHE A 14 -13.520 10.248 1.807 1.00 0.00 C ATOM 176 CE2 PHE A 14 -12.255 8.823 3.251 1.00 0.00 C ATOM 177 CZ PHE A 14 -13.052 9.936 3.069 1.00 0.00 C ATOM 0 H PHE A 14 -14.697 7.190 0.501 1.00 0.00 H new ATOM 0 HA PHE A 14 -12.959 6.041 -1.602 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -11.083 6.968 -0.075 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -11.904 8.081 -1.151 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -13.564 9.691 -0.253 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -11.307 7.153 2.319 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -14.141 11.120 1.661 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -11.886 8.578 4.236 1.00 0.00 H new ATOM 0 HZ PHE A 14 -13.309 10.561 3.911 1.00 0.00 H new ATOM 187 N GLY A 15 -12.996 3.989 -0.199 1.00 0.00 N ATOM 188 CA GLY A 15 -12.838 2.788 0.599 1.00 0.00 C ATOM 189 C GLY A 15 -12.337 1.612 -0.216 1.00 0.00 C ATOM 190 O GLY A 15 -12.833 0.495 -0.075 1.00 0.00 O ATOM 0 H GLY A 15 -13.175 3.825 -1.190 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -12.140 2.985 1.413 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -13.794 2.530 1.054 1.00 0.00 H new ATOM 194 N ASN A 16 -11.352 1.864 -1.071 1.00 0.00 N ATOM 195 CA ASN A 16 -10.785 0.817 -1.914 1.00 0.00 C ATOM 196 C ASN A 16 -9.269 0.959 -2.012 1.00 0.00 C ATOM 197 O ASN A 16 -8.713 2.015 -1.710 1.00 0.00 O ATOM 198 CB ASN A 16 -11.404 0.868 -3.312 1.00 0.00 C ATOM 199 CG ASN A 16 -12.862 1.286 -3.284 1.00 0.00 C ATOM 200 OD1 ASN A 16 -13.637 0.669 -2.400 1.00 0.00 O flip ATOM 201 ND2 ASN A 16 -13.285 2.153 -4.049 1.00 0.00 N flip ATOM 0 H ASN A 16 -10.930 2.784 -1.199 1.00 0.00 H new ATOM 0 HA ASN A 16 -11.014 -0.146 -1.457 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -10.840 1.566 -3.931 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -11.319 -0.113 -3.780 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -12.652 2.601 -4.712 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -14.268 2.424 -4.019 1.00 0.00 H new ATOM 208 N CYS A 17 -8.606 -0.112 -2.435 1.00 0.00 N ATOM 209 CA CYS A 17 -7.155 -0.109 -2.573 1.00 0.00 C ATOM 210 C CYS A 17 -6.693 1.063 -3.435 1.00 0.00 C ATOM 211 O CYS A 17 -7.394 1.486 -4.355 1.00 0.00 O ATOM 212 CB CYS A 17 -6.677 -1.426 -3.186 1.00 0.00 C ATOM 213 SG CYS A 17 -4.866 -1.576 -3.308 1.00 0.00 S ATOM 0 H CYS A 17 -9.051 -0.994 -2.688 1.00 0.00 H new ATOM 0 HA CYS A 17 -6.721 -0.000 -1.579 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -7.060 -2.253 -2.588 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -7.107 -1.528 -4.182 1.00 0.00 H new ATOM 218 N THR A 18 -5.508 1.584 -3.130 1.00 0.00 N ATOM 219 CA THR A 18 -4.953 2.706 -3.875 1.00 0.00 C ATOM 220 C THR A 18 -3.985 2.228 -4.951 1.00 0.00 C ATOM 221 O THR A 18 -3.136 2.986 -5.418 1.00 0.00 O ATOM 222 CB THR A 18 -4.220 3.691 -2.943 1.00 0.00 C ATOM 223 OG1 THR A 18 -5.067 4.048 -1.845 1.00 0.00 O ATOM 224 CG2 THR A 18 -3.806 4.944 -3.699 1.00 0.00 C ATOM 0 H THR A 18 -4.915 1.246 -2.372 1.00 0.00 H new ATOM 0 HA THR A 18 -5.792 3.218 -4.347 1.00 0.00 H new ATOM 0 HB THR A 18 -3.323 3.201 -2.565 1.00 0.00 H new ATOM 0 HG1 THR A 18 -4.990 3.373 -1.139 1.00 0.00 H new ATOM 0 HG21 THR A 18 -3.291 5.624 -3.021 1.00 0.00 H new ATOM 0 HG22 THR A 18 -3.139 4.672 -4.517 1.00 0.00 H new ATOM 0 HG23 THR A 18 -4.692 5.435 -4.102 1.00 0.00 H new ATOM 232 N GLY A 19 -4.119 0.963 -5.340 1.00 0.00 N ATOM 233 CA GLY A 19 -3.249 0.405 -6.360 1.00 0.00 C ATOM 234 C GLY A 19 -4.020 -0.315 -7.448 1.00 0.00 C ATOM 235 O GLY A 19 -3.780 -0.098 -8.637 1.00 0.00 O ATOM 0 H GLY A 19 -4.814 0.315 -4.968 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -2.658 1.205 -6.806 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -2.548 -0.289 -5.896 1.00 0.00 H new ATOM 239 N CYS A 20 -4.949 -1.175 -7.044 1.00 0.00 N ATOM 240 CA CYS A 20 -5.756 -1.931 -7.993 1.00 0.00 C ATOM 241 C CYS A 20 -7.224 -1.524 -7.904 1.00 0.00 C ATOM 242 O CYS A 20 -8.051 -1.966 -8.701 1.00 0.00 O ATOM 243 CB CYS A 20 -5.616 -3.432 -7.732 1.00 0.00 C ATOM 244 SG CYS A 20 -6.022 -3.932 -6.028 1.00 0.00 S ATOM 0 H CYS A 20 -5.161 -1.365 -6.065 1.00 0.00 H new ATOM 0 HA CYS A 20 -5.395 -1.708 -8.997 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -6.265 -3.972 -8.422 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -4.593 -3.735 -7.954 1.00 0.00 H new ATOM 249 N SER A 21 -7.540 -0.678 -6.928 1.00 0.00 N ATOM 250 CA SER A 21 -8.908 -0.213 -6.732 1.00 0.00 C ATOM 251 C SER A 21 -9.849 -1.387 -6.478 1.00 0.00 C ATOM 252 O SER A 21 -10.928 -1.470 -7.064 1.00 0.00 O ATOM 253 CB SER A 21 -9.380 0.578 -7.954 1.00 0.00 C ATOM 254 OG SER A 21 -8.841 1.888 -7.952 1.00 0.00 O ATOM 0 H SER A 21 -6.867 -0.301 -6.261 1.00 0.00 H new ATOM 0 HA SER A 21 -8.923 0.438 -5.858 1.00 0.00 H new ATOM 0 HB2 SER A 21 -9.080 0.059 -8.865 1.00 0.00 H new ATOM 0 HB3 SER A 21 -10.469 0.629 -7.960 1.00 0.00 H new ATOM 0 HG SER A 21 -9.156 2.373 -8.743 1.00 0.00 H new ATOM 260 N ALA A 22 -9.432 -2.291 -5.598 1.00 0.00 N ATOM 261 CA ALA A 22 -10.237 -3.459 -5.262 1.00 0.00 C ATOM 262 C ALA A 22 -10.787 -3.358 -3.844 1.00 0.00 C ATOM 263 O ALA A 22 -10.066 -3.575 -2.870 1.00 0.00 O ATOM 264 CB ALA A 22 -9.416 -4.730 -5.423 1.00 0.00 C ATOM 0 H ALA A 22 -8.541 -2.237 -5.105 1.00 0.00 H new ATOM 0 HA ALA A 22 -11.082 -3.496 -5.949 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -10.030 -5.594 -5.169 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -9.078 -4.816 -6.456 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -8.552 -4.691 -4.760 1.00 0.00 H new ATOM 270 N THR A 23 -12.070 -3.026 -3.733 1.00 0.00 N ATOM 271 CA THR A 23 -12.716 -2.894 -2.434 1.00 0.00 C ATOM 272 C THR A 23 -12.314 -4.032 -1.502 1.00 0.00 C ATOM 273 O THR A 23 -12.103 -5.163 -1.941 1.00 0.00 O ATOM 274 CB THR A 23 -14.251 -2.874 -2.569 1.00 0.00 C ATOM 275 OG1 THR A 23 -14.638 -1.986 -3.623 1.00 0.00 O ATOM 276 CG2 THR A 23 -14.903 -2.438 -1.265 1.00 0.00 C ATOM 0 H THR A 23 -12.682 -2.844 -4.528 1.00 0.00 H new ATOM 0 HA THR A 23 -12.384 -1.946 -2.011 1.00 0.00 H new ATOM 0 HB THR A 23 -14.587 -3.884 -2.804 1.00 0.00 H new ATOM 0 HG1 THR A 23 -14.386 -1.069 -3.387 1.00 0.00 H new ATOM 0 HG21 THR A 23 -15.986 -2.431 -1.384 1.00 0.00 H new ATOM 0 HG22 THR A 23 -14.630 -3.133 -0.471 1.00 0.00 H new ATOM 0 HG23 THR A 23 -14.561 -1.437 -1.004 1.00 0.00 H new ATOM 284 N PHE A 24 -12.211 -3.726 -0.213 1.00 0.00 N ATOM 285 CA PHE A 24 -11.834 -4.724 0.782 1.00 0.00 C ATOM 286 C PHE A 24 -13.068 -5.418 1.350 1.00 0.00 C ATOM 287 O PHE A 24 -13.578 -5.037 2.403 1.00 0.00 O ATOM 288 CB PHE A 24 -11.036 -4.072 1.912 1.00 0.00 C ATOM 289 CG PHE A 24 -9.936 -3.171 1.427 1.00 0.00 C ATOM 290 CD1 PHE A 24 -10.189 -1.838 1.143 1.00 0.00 C ATOM 291 CD2 PHE A 24 -8.650 -3.656 1.256 1.00 0.00 C ATOM 292 CE1 PHE A 24 -9.179 -1.008 0.696 1.00 0.00 C ATOM 293 CE2 PHE A 24 -7.635 -2.830 0.810 1.00 0.00 C ATOM 294 CZ PHE A 24 -7.900 -1.504 0.530 1.00 0.00 C ATOM 0 H PHE A 24 -12.383 -2.795 0.167 1.00 0.00 H new ATOM 0 HA PHE A 24 -11.211 -5.472 0.292 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -11.715 -3.497 2.541 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -10.605 -4.853 2.539 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -11.186 -1.444 1.273 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -8.437 -4.692 1.474 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -9.389 0.028 0.476 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -6.637 -3.221 0.681 1.00 0.00 H new ATOM 0 HZ PHE A 24 -7.109 -0.856 0.182 1.00 0.00 H new ATOM 304 N SER A 25 -13.543 -6.440 0.645 1.00 0.00 N ATOM 305 CA SER A 25 -14.719 -7.186 1.076 1.00 0.00 C ATOM 306 C SER A 25 -14.417 -7.999 2.330 1.00 0.00 C ATOM 307 O SER A 25 -13.266 -8.104 2.754 1.00 0.00 O ATOM 308 CB SER A 25 -15.200 -8.112 -0.043 1.00 0.00 C ATOM 309 OG SER A 25 -14.143 -8.925 -0.522 1.00 0.00 O ATOM 0 H SER A 25 -13.131 -6.770 -0.228 1.00 0.00 H new ATOM 0 HA SER A 25 -15.507 -6.470 1.310 1.00 0.00 H new ATOM 0 HB2 SER A 25 -16.010 -8.742 0.325 1.00 0.00 H new ATOM 0 HB3 SER A 25 -15.606 -7.518 -0.862 1.00 0.00 H new ATOM 0 HG SER A 25 -14.477 -9.509 -1.235 1.00 0.00 H new ATOM 315 N VAL A 26 -15.460 -8.574 2.921 1.00 0.00 N ATOM 316 CA VAL A 26 -15.308 -9.379 4.127 1.00 0.00 C ATOM 317 C VAL A 26 -14.161 -10.373 3.983 1.00 0.00 C ATOM 318 O VAL A 26 -13.445 -10.656 4.945 1.00 0.00 O ATOM 319 CB VAL A 26 -16.602 -10.149 4.454 1.00 0.00 C ATOM 320 CG1 VAL A 26 -17.717 -9.185 4.829 1.00 0.00 C ATOM 321 CG2 VAL A 26 -17.013 -11.023 3.279 1.00 0.00 C ATOM 0 H VAL A 26 -16.420 -8.497 2.584 1.00 0.00 H new ATOM 0 HA VAL A 26 -15.088 -8.690 4.942 1.00 0.00 H new ATOM 0 HB VAL A 26 -16.412 -10.797 5.310 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -18.623 -9.747 5.057 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -17.419 -8.607 5.704 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -17.909 -8.509 3.996 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -17.929 -11.560 3.527 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -17.185 -10.398 2.403 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -16.220 -11.739 3.063 1.00 0.00 H new ATOM 331 N LEU A 27 -13.991 -10.900 2.776 1.00 0.00 N ATOM 332 CA LEU A 27 -12.929 -11.863 2.504 1.00 0.00 C ATOM 333 C LEU A 27 -11.630 -11.153 2.140 1.00 0.00 C ATOM 334 O LEU A 27 -10.851 -11.641 1.321 1.00 0.00 O ATOM 335 CB LEU A 27 -13.344 -12.805 1.372 1.00 0.00 C ATOM 336 CG LEU A 27 -14.076 -14.079 1.794 1.00 0.00 C ATOM 337 CD1 LEU A 27 -13.170 -14.961 2.639 1.00 0.00 C ATOM 338 CD2 LEU A 27 -15.349 -13.737 2.553 1.00 0.00 C ATOM 0 H LEU A 27 -14.575 -10.677 1.970 1.00 0.00 H new ATOM 0 HA LEU A 27 -12.761 -12.446 3.410 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -13.984 -12.253 0.683 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -12.450 -13.090 0.817 1.00 0.00 H new ATOM 0 HG LEU A 27 -14.350 -14.631 0.895 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -13.709 -15.863 2.930 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -12.288 -15.236 2.061 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -12.864 -14.417 3.533 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -15.857 -14.656 2.845 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -15.098 -13.162 3.444 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -16.006 -13.147 1.914 1.00 0.00 H new ATOM 350 N LYS A 28 -11.400 -9.998 2.754 1.00 0.00 N ATOM 351 CA LYS A 28 -10.194 -9.220 2.498 1.00 0.00 C ATOM 352 C LYS A 28 -9.849 -8.340 3.695 1.00 0.00 C ATOM 353 O LYS A 28 -10.694 -8.081 4.552 1.00 0.00 O ATOM 354 CB LYS A 28 -10.376 -8.353 1.250 1.00 0.00 C ATOM 355 CG LYS A 28 -9.071 -8.001 0.558 1.00 0.00 C ATOM 356 CD LYS A 28 -9.315 -7.284 -0.760 1.00 0.00 C ATOM 357 CE LYS A 28 -8.198 -7.555 -1.756 1.00 0.00 C ATOM 358 NZ LYS A 28 -8.469 -8.768 -2.576 1.00 0.00 N ATOM 0 H LYS A 28 -12.034 -9.579 3.434 1.00 0.00 H new ATOM 0 HA LYS A 28 -9.372 -9.916 2.332 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -11.021 -8.877 0.545 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -10.889 -7.433 1.529 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -8.470 -7.369 1.212 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -8.497 -8.910 0.378 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -10.266 -7.608 -1.181 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -9.394 -6.211 -0.583 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -8.079 -6.692 -2.412 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -7.257 -7.681 -1.221 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -7.685 -8.919 -3.242 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -8.558 -9.596 -1.953 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -9.354 -8.638 -3.106 1.00 0.00 H new ATOM 372 N LYS A 29 -8.603 -7.882 3.748 1.00 0.00 N ATOM 373 CA LYS A 29 -8.146 -7.028 4.838 1.00 0.00 C ATOM 374 C LYS A 29 -7.497 -5.758 4.299 1.00 0.00 C ATOM 375 O LYS A 29 -6.515 -5.817 3.558 1.00 0.00 O ATOM 376 CB LYS A 29 -7.153 -7.785 5.724 1.00 0.00 C ATOM 377 CG LYS A 29 -7.718 -9.066 6.313 1.00 0.00 C ATOM 378 CD LYS A 29 -7.528 -10.244 5.372 1.00 0.00 C ATOM 379 CE LYS A 29 -7.753 -11.568 6.085 1.00 0.00 C ATOM 380 NZ LYS A 29 -6.527 -12.034 6.789 1.00 0.00 N ATOM 0 H LYS A 29 -7.891 -8.088 3.048 1.00 0.00 H new ATOM 0 HA LYS A 29 -9.014 -6.746 5.434 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -6.266 -8.025 5.138 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -6.832 -7.132 6.536 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -7.229 -9.277 7.264 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -8.780 -8.934 6.522 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -8.221 -10.158 4.535 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -6.521 -10.220 4.956 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -8.565 -11.460 6.804 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -8.065 -12.321 5.362 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -6.721 -12.939 7.262 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -5.758 -12.162 6.100 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -6.243 -11.327 7.497 1.00 0.00 H new ATOM 394 N ARG A 30 -8.050 -4.610 4.676 1.00 0.00 N ATOM 395 CA ARG A 30 -7.524 -3.325 4.230 1.00 0.00 C ATOM 396 C ARG A 30 -6.228 -2.986 4.960 1.00 0.00 C ATOM 397 O ARG A 30 -6.248 -2.394 6.039 1.00 0.00 O ATOM 398 CB ARG A 30 -8.556 -2.220 4.461 1.00 0.00 C ATOM 399 CG ARG A 30 -8.011 -0.820 4.230 1.00 0.00 C ATOM 400 CD ARG A 30 -9.110 0.145 3.814 1.00 0.00 C ATOM 401 NE ARG A 30 -8.843 1.507 4.266 1.00 0.00 N ATOM 402 CZ ARG A 30 -9.002 1.909 5.522 1.00 0.00 C ATOM 403 NH1 ARG A 30 -9.424 1.057 6.446 1.00 0.00 N ATOM 404 NH2 ARG A 30 -8.738 3.166 5.856 1.00 0.00 N ATOM 0 H ARG A 30 -8.862 -4.543 5.289 1.00 0.00 H new ATOM 0 HA ARG A 30 -7.312 -3.397 3.163 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -9.406 -2.384 3.798 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -8.930 -2.291 5.482 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -7.534 -0.459 5.141 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -7.241 -0.851 3.459 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -9.208 0.136 2.728 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -10.062 -0.192 4.223 1.00 0.00 H new ATOM 0 HE ARG A 30 -8.516 2.187 3.580 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -9.627 0.090 6.193 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -9.545 1.369 7.410 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -8.413 3.824 5.148 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -8.860 3.474 6.821 1.00 0.00 H new ATOM 418 N ARG A 31 -5.102 -3.366 4.364 1.00 0.00 N ATOM 419 CA ARG A 31 -3.797 -3.103 4.958 1.00 0.00 C ATOM 420 C ARG A 31 -3.440 -1.623 4.855 1.00 0.00 C ATOM 421 O ARG A 31 -4.073 -0.872 4.113 1.00 0.00 O ATOM 422 CB ARG A 31 -2.721 -3.947 4.270 1.00 0.00 C ATOM 423 CG ARG A 31 -1.624 -4.418 5.210 1.00 0.00 C ATOM 424 CD ARG A 31 -0.529 -5.161 4.460 1.00 0.00 C ATOM 425 NE ARG A 31 0.718 -5.210 5.219 1.00 0.00 N ATOM 426 CZ ARG A 31 0.926 -6.039 6.237 1.00 0.00 C ATOM 427 NH1 ARG A 31 -0.024 -6.883 6.614 1.00 0.00 N ATOM 428 NH2 ARG A 31 2.088 -6.024 6.878 1.00 0.00 N ATOM 0 H ARG A 31 -5.068 -3.857 3.471 1.00 0.00 H new ATOM 0 HA ARG A 31 -3.844 -3.375 6.013 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -3.192 -4.816 3.810 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -2.273 -3.364 3.465 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -1.194 -3.561 5.728 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -2.051 -5.070 5.972 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -0.862 -6.176 4.244 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -0.351 -4.673 3.502 1.00 0.00 H new ATOM 0 HE ARG A 31 1.470 -4.574 4.954 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -0.918 -6.898 6.123 1.00 0.00 H new ATOM 0 HH12 ARG A 31 0.139 -7.518 7.396 1.00 0.00 H new ATOM 0 HH21 ARG A 31 2.821 -5.376 6.589 1.00 0.00 H new ATOM 0 HH22 ARG A 31 2.248 -6.660 7.659 1.00 0.00 H new ATOM 442 N SER A 32 -2.424 -1.211 5.606 1.00 0.00 N ATOM 443 CA SER A 32 -1.986 0.180 5.603 1.00 0.00 C ATOM 444 C SER A 32 -0.494 0.279 5.300 1.00 0.00 C ATOM 445 O SER A 32 0.331 -0.336 5.977 1.00 0.00 O ATOM 446 CB SER A 32 -2.289 0.835 6.952 1.00 0.00 C ATOM 447 OG SER A 32 -3.670 1.126 7.078 1.00 0.00 O ATOM 0 H SER A 32 -1.889 -1.820 6.224 1.00 0.00 H new ATOM 0 HA SER A 32 -2.533 0.706 4.821 1.00 0.00 H new ATOM 0 HB2 SER A 32 -1.979 0.172 7.760 1.00 0.00 H new ATOM 0 HB3 SER A 32 -1.710 1.753 7.053 1.00 0.00 H new ATOM 0 HG SER A 32 -3.838 1.542 7.949 1.00 0.00 H new ATOM 453 N CYS A 33 -0.154 1.057 4.278 1.00 0.00 N ATOM 454 CA CYS A 33 1.237 1.238 3.883 1.00 0.00 C ATOM 455 C CYS A 33 2.084 1.695 5.068 1.00 0.00 C ATOM 456 O CYS A 33 1.555 2.125 6.092 1.00 0.00 O ATOM 457 CB CYS A 33 1.338 2.257 2.746 1.00 0.00 C ATOM 458 SG CYS A 33 2.989 2.358 1.983 1.00 0.00 S ATOM 0 H CYS A 33 -0.824 1.573 3.708 1.00 0.00 H new ATOM 0 HA CYS A 33 1.618 0.278 3.536 1.00 0.00 H new ATOM 0 HB2 CYS A 33 0.609 2.001 1.977 1.00 0.00 H new ATOM 0 HB3 CYS A 33 1.065 3.241 3.129 1.00 0.00 H new ATOM 463 N SER A 34 3.401 1.599 4.919 1.00 0.00 N ATOM 464 CA SER A 34 4.321 1.999 5.977 1.00 0.00 C ATOM 465 C SER A 34 4.946 3.356 5.669 1.00 0.00 C ATOM 466 O SER A 34 5.272 4.121 6.576 1.00 0.00 O ATOM 467 CB SER A 34 5.419 0.947 6.151 1.00 0.00 C ATOM 468 OG SER A 34 5.009 -0.074 7.044 1.00 0.00 O ATOM 0 H SER A 34 3.855 1.248 4.076 1.00 0.00 H new ATOM 0 HA SER A 34 3.755 2.081 6.905 1.00 0.00 H new ATOM 0 HB2 SER A 34 5.666 0.511 5.183 1.00 0.00 H new ATOM 0 HB3 SER A 34 6.325 1.421 6.527 1.00 0.00 H new ATOM 0 HG SER A 34 5.169 -0.950 6.635 1.00 0.00 H new ATOM 474 N ASN A 35 5.109 3.648 4.383 1.00 0.00 N ATOM 475 CA ASN A 35 5.695 4.913 3.954 1.00 0.00 C ATOM 476 C ASN A 35 4.624 5.993 3.826 1.00 0.00 C ATOM 477 O ASN A 35 4.520 6.881 4.672 1.00 0.00 O ATOM 478 CB ASN A 35 6.418 4.736 2.617 1.00 0.00 C ATOM 479 CG ASN A 35 6.923 6.051 2.055 1.00 0.00 C ATOM 480 OD1 ASN A 35 7.520 6.856 2.769 1.00 0.00 O ATOM 481 ND2 ASN A 35 6.684 6.274 0.768 1.00 0.00 N ATOM 0 H ASN A 35 4.844 3.026 3.619 1.00 0.00 H new ATOM 0 HA ASN A 35 6.414 5.227 4.710 1.00 0.00 H new ATOM 0 HB2 ASN A 35 7.258 4.054 2.749 1.00 0.00 H new ATOM 0 HB3 ASN A 35 5.741 4.273 1.899 1.00 0.00 H new ATOM 0 HD21 ASN A 35 6.999 7.141 0.334 1.00 0.00 H new ATOM 0 HD22 ASN A 35 6.185 5.578 0.214 1.00 0.00 H new ATOM 488 N CYS A 36 3.831 5.909 2.764 1.00 0.00 N ATOM 489 CA CYS A 36 2.768 6.878 2.525 1.00 0.00 C ATOM 490 C CYS A 36 1.700 6.793 3.612 1.00 0.00 C ATOM 491 O CYS A 36 1.129 7.805 4.015 1.00 0.00 O ATOM 492 CB CYS A 36 2.134 6.642 1.152 1.00 0.00 C ATOM 493 SG CYS A 36 1.097 5.148 1.059 1.00 0.00 S ATOM 0 H CYS A 36 3.904 5.180 2.055 1.00 0.00 H new ATOM 0 HA CYS A 36 3.207 7.875 2.549 1.00 0.00 H new ATOM 0 HB2 CYS A 36 1.528 7.509 0.890 1.00 0.00 H new ATOM 0 HB3 CYS A 36 2.925 6.569 0.406 1.00 0.00 H new ATOM 498 N GLY A 37 1.436 5.578 4.081 1.00 0.00 N ATOM 499 CA GLY A 37 0.438 5.383 5.116 1.00 0.00 C ATOM 500 C GLY A 37 -0.975 5.385 4.567 1.00 0.00 C ATOM 501 O GLY A 37 -1.894 5.900 5.202 1.00 0.00 O ATOM 0 H GLY A 37 1.896 4.725 3.763 1.00 0.00 H new ATOM 0 HA2 GLY A 37 0.626 4.437 5.624 1.00 0.00 H new ATOM 0 HA3 GLY A 37 0.535 6.171 5.863 1.00 0.00 H new ATOM 505 N ASN A 38 -1.149 4.807 3.383 1.00 0.00 N ATOM 506 CA ASN A 38 -2.460 4.747 2.747 1.00 0.00 C ATOM 507 C ASN A 38 -3.045 3.341 2.841 1.00 0.00 C ATOM 508 O ASN A 38 -2.458 2.453 3.459 1.00 0.00 O ATOM 509 CB ASN A 38 -2.359 5.172 1.281 1.00 0.00 C ATOM 510 CG ASN A 38 -1.754 6.553 1.120 1.00 0.00 C ATOM 511 OD1 ASN A 38 -1.827 7.385 2.025 1.00 0.00 O ATOM 512 ND2 ASN A 38 -1.152 6.804 -0.037 1.00 0.00 N ATOM 0 H ASN A 38 -0.399 4.374 2.845 1.00 0.00 H new ATOM 0 HA ASN A 38 -3.123 5.434 3.272 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -1.754 4.447 0.736 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -3.352 5.159 0.832 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -0.727 7.716 -0.203 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -1.115 6.085 -0.759 1.00 0.00 H new ATOM 519 N SER A 39 -4.206 3.147 2.223 1.00 0.00 N ATOM 520 CA SER A 39 -4.873 1.850 2.240 1.00 0.00 C ATOM 521 C SER A 39 -4.479 1.021 1.021 1.00 0.00 C ATOM 522 O SER A 39 -4.312 1.551 -0.077 1.00 0.00 O ATOM 523 CB SER A 39 -6.391 2.034 2.276 1.00 0.00 C ATOM 524 OG SER A 39 -6.855 2.682 1.104 1.00 0.00 O ATOM 0 H SER A 39 -4.704 3.871 1.705 1.00 0.00 H new ATOM 0 HA SER A 39 -4.557 1.318 3.138 1.00 0.00 H new ATOM 0 HB2 SER A 39 -6.876 1.063 2.374 1.00 0.00 H new ATOM 0 HB3 SER A 39 -6.669 2.619 3.153 1.00 0.00 H new ATOM 0 HG SER A 39 -7.828 2.786 1.151 1.00 0.00 H new ATOM 530 N PHE A 40 -4.333 -0.284 1.224 1.00 0.00 N ATOM 531 CA PHE A 40 -3.958 -1.188 0.143 1.00 0.00 C ATOM 532 C PHE A 40 -4.384 -2.619 0.458 1.00 0.00 C ATOM 533 O PHE A 40 -4.661 -2.958 1.609 1.00 0.00 O ATOM 534 CB PHE A 40 -2.447 -1.135 -0.094 1.00 0.00 C ATOM 535 CG PHE A 40 -1.987 0.138 -0.745 1.00 0.00 C ATOM 536 CD1 PHE A 40 -2.149 0.334 -2.106 1.00 0.00 C ATOM 537 CD2 PHE A 40 -1.391 1.139 0.006 1.00 0.00 C ATOM 538 CE1 PHE A 40 -1.727 1.504 -2.708 1.00 0.00 C ATOM 539 CE2 PHE A 40 -0.967 2.312 -0.590 1.00 0.00 C ATOM 540 CZ PHE A 40 -1.135 2.494 -1.949 1.00 0.00 C ATOM 0 H PHE A 40 -4.469 -0.739 2.127 1.00 0.00 H new ATOM 0 HA PHE A 40 -4.473 -0.865 -0.762 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -1.933 -1.252 0.860 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -2.155 -1.979 -0.719 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -2.611 -0.437 -2.705 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -1.256 1.001 1.069 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -1.860 1.644 -3.771 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -0.505 3.085 0.006 1.00 0.00 H new ATOM 0 HZ PHE A 40 -0.804 3.409 -2.417 1.00 0.00 H new ATOM 550 N CYS A 41 -4.436 -3.455 -0.574 1.00 0.00 N ATOM 551 CA CYS A 41 -4.829 -4.849 -0.410 1.00 0.00 C ATOM 552 C CYS A 41 -3.642 -5.702 0.029 1.00 0.00 C ATOM 553 O CYS A 41 -2.535 -5.196 0.211 1.00 0.00 O ATOM 554 CB CYS A 41 -5.407 -5.395 -1.717 1.00 0.00 C ATOM 555 SG CYS A 41 -4.206 -5.477 -3.084 1.00 0.00 S ATOM 0 H CYS A 41 -4.211 -3.191 -1.533 1.00 0.00 H new ATOM 0 HA CYS A 41 -5.594 -4.895 0.366 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -5.805 -6.394 -1.537 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -6.245 -4.768 -2.021 1.00 0.00 H new ATOM 560 N SER A 42 -3.882 -6.998 0.197 1.00 0.00 N ATOM 561 CA SER A 42 -2.834 -7.921 0.618 1.00 0.00 C ATOM 562 C SER A 42 -1.993 -8.369 -0.574 1.00 0.00 C ATOM 563 O SER A 42 -1.313 -9.393 -0.518 1.00 0.00 O ATOM 564 CB SER A 42 -3.446 -9.139 1.312 1.00 0.00 C ATOM 565 OG SER A 42 -2.524 -9.731 2.211 1.00 0.00 O ATOM 0 H SER A 42 -4.793 -7.433 0.048 1.00 0.00 H new ATOM 0 HA SER A 42 -2.186 -7.399 1.322 1.00 0.00 H new ATOM 0 HB2 SER A 42 -4.344 -8.840 1.852 1.00 0.00 H new ATOM 0 HB3 SER A 42 -3.752 -9.872 0.565 1.00 0.00 H new ATOM 0 HG SER A 42 -1.665 -9.863 1.759 1.00 0.00 H new ATOM 571 N ARG A 43 -2.047 -7.594 -1.652 1.00 0.00 N ATOM 572 CA ARG A 43 -1.292 -7.910 -2.859 1.00 0.00 C ATOM 573 C ARG A 43 -0.457 -6.714 -3.307 1.00 0.00 C ATOM 574 O ARG A 43 0.595 -6.875 -3.926 1.00 0.00 O ATOM 575 CB ARG A 43 -2.240 -8.335 -3.982 1.00 0.00 C ATOM 576 CG ARG A 43 -2.970 -9.638 -3.703 1.00 0.00 C ATOM 577 CD ARG A 43 -2.039 -10.835 -3.822 1.00 0.00 C ATOM 578 NE ARG A 43 -1.874 -11.264 -5.208 1.00 0.00 N ATOM 579 CZ ARG A 43 -1.511 -12.493 -5.558 1.00 0.00 C ATOM 580 NH1 ARG A 43 -1.277 -13.409 -4.629 1.00 0.00 N ATOM 581 NH2 ARG A 43 -1.382 -12.808 -6.841 1.00 0.00 N ATOM 0 H ARG A 43 -2.606 -6.743 -1.715 1.00 0.00 H new ATOM 0 HA ARG A 43 -0.618 -8.736 -2.631 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -2.973 -7.545 -4.145 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -1.672 -8.438 -4.906 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -3.400 -9.608 -2.702 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -3.799 -9.749 -4.403 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -1.066 -10.580 -3.403 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -2.434 -11.662 -3.231 1.00 0.00 H new ATOM 0 HE ARG A 43 -2.047 -10.583 -5.948 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -1.376 -13.171 -3.642 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -0.998 -14.352 -4.901 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -1.562 -12.106 -7.559 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -1.103 -13.752 -7.109 1.00 0.00 H new ATOM 595 N CYS A 44 -0.934 -5.515 -2.992 1.00 0.00 N ATOM 596 CA CYS A 44 -0.234 -4.291 -3.363 1.00 0.00 C ATOM 597 C CYS A 44 0.733 -3.863 -2.262 1.00 0.00 C ATOM 598 O CYS A 44 1.827 -3.371 -2.540 1.00 0.00 O ATOM 599 CB CYS A 44 -1.236 -3.169 -3.641 1.00 0.00 C ATOM 600 SG CYS A 44 -2.147 -3.358 -5.207 1.00 0.00 S ATOM 0 H CYS A 44 -1.803 -5.365 -2.480 1.00 0.00 H new ATOM 0 HA CYS A 44 0.338 -4.490 -4.269 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -1.951 -3.123 -2.820 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -0.705 -2.217 -3.654 1.00 0.00 H new ATOM 605 N CYS A 45 0.321 -4.054 -1.014 1.00 0.00 N ATOM 606 CA CYS A 45 1.150 -3.688 0.129 1.00 0.00 C ATOM 607 C CYS A 45 2.033 -4.855 0.557 1.00 0.00 C ATOM 608 O CYS A 45 2.207 -5.111 1.748 1.00 0.00 O ATOM 609 CB CYS A 45 0.273 -3.240 1.299 1.00 0.00 C ATOM 610 SG CYS A 45 1.201 -2.645 2.732 1.00 0.00 S ATOM 0 H CYS A 45 -0.582 -4.460 -0.768 1.00 0.00 H new ATOM 0 HA CYS A 45 1.793 -2.861 -0.171 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -0.394 -2.448 0.957 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -0.356 -4.075 1.608 1.00 0.00 H new ATOM 0 HG CYS A 45 2.122 -3.508 3.041 1.00 0.00 H new ATOM 616 N SER A 46 2.588 -5.561 -0.423 1.00 0.00 N ATOM 617 CA SER A 46 3.449 -6.706 -0.148 1.00 0.00 C ATOM 618 C SER A 46 4.858 -6.466 -0.682 1.00 0.00 C ATOM 619 O SER A 46 5.481 -7.365 -1.247 1.00 0.00 O ATOM 620 CB SER A 46 2.863 -7.973 -0.773 1.00 0.00 C ATOM 621 OG SER A 46 3.214 -9.122 -0.020 1.00 0.00 O ATOM 0 H SER A 46 2.457 -5.360 -1.414 1.00 0.00 H new ATOM 0 HA SER A 46 3.506 -6.836 0.933 1.00 0.00 H new ATOM 0 HB2 SER A 46 1.778 -7.887 -0.827 1.00 0.00 H new ATOM 0 HB3 SER A 46 3.226 -8.079 -1.795 1.00 0.00 H new ATOM 0 HG SER A 46 2.826 -9.919 -0.439 1.00 0.00 H new ATOM 627 N PHE A 47 5.354 -5.247 -0.500 1.00 0.00 N ATOM 628 CA PHE A 47 6.689 -4.887 -0.963 1.00 0.00 C ATOM 629 C PHE A 47 7.587 -4.503 0.209 1.00 0.00 C ATOM 630 O PHE A 47 7.343 -3.509 0.893 1.00 0.00 O ATOM 631 CB PHE A 47 6.610 -3.730 -1.961 1.00 0.00 C ATOM 632 CG PHE A 47 5.963 -4.104 -3.264 1.00 0.00 C ATOM 633 CD1 PHE A 47 6.693 -4.733 -4.260 1.00 0.00 C ATOM 634 CD2 PHE A 47 4.625 -3.828 -3.493 1.00 0.00 C ATOM 635 CE1 PHE A 47 6.101 -5.077 -5.460 1.00 0.00 C ATOM 636 CE2 PHE A 47 4.027 -4.171 -4.690 1.00 0.00 C ATOM 637 CZ PHE A 47 4.765 -4.797 -5.675 1.00 0.00 C ATOM 0 H PHE A 47 4.851 -4.491 -0.035 1.00 0.00 H new ATOM 0 HA PHE A 47 7.121 -5.756 -1.458 1.00 0.00 H new ATOM 0 HB2 PHE A 47 6.052 -2.909 -1.510 1.00 0.00 H new ATOM 0 HB3 PHE A 47 7.617 -3.361 -2.157 1.00 0.00 H new ATOM 0 HD1 PHE A 47 7.737 -4.957 -4.096 1.00 0.00 H new ATOM 0 HD2 PHE A 47 4.042 -3.339 -2.726 1.00 0.00 H new ATOM 0 HE1 PHE A 47 6.682 -5.564 -6.229 1.00 0.00 H new ATOM 0 HE2 PHE A 47 2.983 -3.950 -4.855 1.00 0.00 H new ATOM 0 HZ PHE A 47 4.299 -5.067 -6.611 1.00 0.00 H new ATOM 647 N LYS A 48 8.627 -5.298 0.435 1.00 0.00 N ATOM 648 CA LYS A 48 9.563 -5.043 1.523 1.00 0.00 C ATOM 649 C LYS A 48 10.567 -3.962 1.136 1.00 0.00 C ATOM 650 O LYS A 48 11.152 -4.003 0.053 1.00 0.00 O ATOM 651 CB LYS A 48 10.303 -6.329 1.899 1.00 0.00 C ATOM 652 CG LYS A 48 9.445 -7.323 2.663 1.00 0.00 C ATOM 653 CD LYS A 48 10.267 -8.499 3.164 1.00 0.00 C ATOM 654 CE LYS A 48 10.895 -8.205 4.517 1.00 0.00 C ATOM 655 NZ LYS A 48 9.921 -8.377 5.630 1.00 0.00 N ATOM 0 H LYS A 48 8.843 -6.125 -0.121 1.00 0.00 H new ATOM 0 HA LYS A 48 8.993 -4.693 2.384 1.00 0.00 H new ATOM 0 HB2 LYS A 48 10.673 -6.804 0.991 1.00 0.00 H new ATOM 0 HB3 LYS A 48 11.174 -6.074 2.503 1.00 0.00 H new ATOM 0 HG2 LYS A 48 8.971 -6.823 3.508 1.00 0.00 H new ATOM 0 HG3 LYS A 48 8.645 -7.686 2.018 1.00 0.00 H new ATOM 0 HD2 LYS A 48 9.632 -9.382 3.241 1.00 0.00 H new ATOM 0 HD3 LYS A 48 11.049 -8.731 2.441 1.00 0.00 H new ATOM 0 HE2 LYS A 48 11.746 -8.867 4.674 1.00 0.00 H new ATOM 0 HE3 LYS A 48 11.279 -7.185 4.525 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 10.057 -7.621 6.331 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 8.952 -8.330 5.254 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 10.072 -9.301 6.084 1.00 0.00 H new ATOM 669 N VAL A 49 10.762 -2.995 2.027 1.00 0.00 N ATOM 670 CA VAL A 49 11.697 -1.904 1.779 1.00 0.00 C ATOM 671 C VAL A 49 12.320 -1.408 3.079 1.00 0.00 C ATOM 672 O VAL A 49 11.726 -1.496 4.154 1.00 0.00 O ATOM 673 CB VAL A 49 11.007 -0.724 1.070 1.00 0.00 C ATOM 674 CG1 VAL A 49 10.379 -1.180 -0.238 1.00 0.00 C ATOM 675 CG2 VAL A 49 9.964 -0.092 1.980 1.00 0.00 C ATOM 0 H VAL A 49 10.285 -2.945 2.927 1.00 0.00 H new ATOM 0 HA VAL A 49 12.480 -2.299 1.132 1.00 0.00 H new ATOM 0 HB VAL A 49 11.760 0.030 0.840 1.00 0.00 H new ATOM 0 HG11 VAL A 49 9.896 -0.333 -0.725 1.00 0.00 H new ATOM 0 HG12 VAL A 49 11.153 -1.582 -0.892 1.00 0.00 H new ATOM 0 HG13 VAL A 49 9.638 -1.953 -0.036 1.00 0.00 H new ATOM 0 HG21 VAL A 49 9.486 0.740 1.463 1.00 0.00 H new ATOM 0 HG22 VAL A 49 9.212 -0.836 2.243 1.00 0.00 H new ATOM 0 HG23 VAL A 49 10.446 0.273 2.887 1.00 0.00 H new ATOM 685 N PRO A 50 13.546 -0.873 2.981 1.00 0.00 N ATOM 686 CA PRO A 50 14.277 -0.351 4.140 1.00 0.00 C ATOM 687 C PRO A 50 13.655 0.929 4.688 1.00 0.00 C ATOM 688 O PRO A 50 13.437 1.891 3.951 1.00 0.00 O ATOM 689 CB PRO A 50 15.674 -0.070 3.581 1.00 0.00 C ATOM 690 CG PRO A 50 15.461 0.152 2.124 1.00 0.00 C ATOM 691 CD PRO A 50 14.313 -0.737 1.732 1.00 0.00 C ATOM 0 HA PRO A 50 14.270 -1.051 4.976 1.00 0.00 H new ATOM 0 HB2 PRO A 50 16.121 0.805 4.054 1.00 0.00 H new ATOM 0 HB3 PRO A 50 16.348 -0.908 3.759 1.00 0.00 H new ATOM 0 HG2 PRO A 50 15.233 1.198 1.918 1.00 0.00 H new ATOM 0 HG3 PRO A 50 16.358 -0.096 1.556 1.00 0.00 H new ATOM 0 HD2 PRO A 50 13.713 -0.292 0.938 1.00 0.00 H new ATOM 0 HD3 PRO A 50 14.660 -1.703 1.366 1.00 0.00 H new ATOM 699 N LYS A 51 13.372 0.935 5.986 1.00 0.00 N ATOM 700 CA LYS A 51 12.777 2.097 6.635 1.00 0.00 C ATOM 701 C LYS A 51 13.855 3.013 7.205 1.00 0.00 C ATOM 702 O LYS A 51 13.708 3.554 8.301 1.00 0.00 O ATOM 703 CB LYS A 51 11.827 1.654 7.750 1.00 0.00 C ATOM 704 CG LYS A 51 12.490 0.781 8.803 1.00 0.00 C ATOM 705 CD LYS A 51 11.546 0.483 9.955 1.00 0.00 C ATOM 706 CE LYS A 51 11.077 1.760 10.636 1.00 0.00 C ATOM 707 NZ LYS A 51 9.873 2.333 9.973 1.00 0.00 N ATOM 0 H LYS A 51 13.545 0.147 6.610 1.00 0.00 H new ATOM 0 HA LYS A 51 12.213 2.652 5.885 1.00 0.00 H new ATOM 0 HB2 LYS A 51 11.410 2.538 8.233 1.00 0.00 H new ATOM 0 HB3 LYS A 51 10.993 1.108 7.310 1.00 0.00 H new ATOM 0 HG2 LYS A 51 12.817 -0.154 8.348 1.00 0.00 H new ATOM 0 HG3 LYS A 51 13.382 1.280 9.182 1.00 0.00 H new ATOM 0 HD2 LYS A 51 10.683 -0.072 9.586 1.00 0.00 H new ATOM 0 HD3 LYS A 51 12.048 -0.155 10.682 1.00 0.00 H new ATOM 0 HE2 LYS A 51 10.851 1.552 11.682 1.00 0.00 H new ATOM 0 HE3 LYS A 51 11.882 2.495 10.624 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 10.002 3.357 9.843 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 9.739 1.881 9.046 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 9.036 2.162 10.566 1.00 0.00 H new ATOM 721 N SER A 52 14.938 3.184 6.453 1.00 0.00 N ATOM 722 CA SER A 52 16.042 4.034 6.885 1.00 0.00 C ATOM 723 C SER A 52 16.178 5.252 5.977 1.00 0.00 C ATOM 724 O SER A 52 16.310 6.381 6.449 1.00 0.00 O ATOM 725 CB SER A 52 17.350 3.241 6.894 1.00 0.00 C ATOM 726 OG SER A 52 18.333 3.886 7.685 1.00 0.00 O ATOM 0 H SER A 52 15.075 2.746 5.542 1.00 0.00 H new ATOM 0 HA SER A 52 15.828 4.380 7.896 1.00 0.00 H new ATOM 0 HB2 SER A 52 17.168 2.238 7.281 1.00 0.00 H new ATOM 0 HB3 SER A 52 17.717 3.127 5.874 1.00 0.00 H new ATOM 0 HG SER A 52 18.206 3.644 8.626 1.00 0.00 H new ATOM 732 N SER A 53 16.145 5.014 4.669 1.00 0.00 N ATOM 733 CA SER A 53 16.268 6.089 3.693 1.00 0.00 C ATOM 734 C SER A 53 14.906 6.453 3.110 1.00 0.00 C ATOM 735 O SER A 53 14.573 6.063 1.991 1.00 0.00 O ATOM 736 CB SER A 53 17.223 5.681 2.570 1.00 0.00 C ATOM 737 OG SER A 53 18.531 5.457 3.069 1.00 0.00 O ATOM 0 H SER A 53 16.034 4.085 4.262 1.00 0.00 H new ATOM 0 HA SER A 53 16.671 6.964 4.203 1.00 0.00 H new ATOM 0 HB2 SER A 53 16.855 4.776 2.086 1.00 0.00 H new ATOM 0 HB3 SER A 53 17.249 6.461 1.809 1.00 0.00 H new ATOM 0 HG SER A 53 19.122 5.196 2.332 1.00 0.00 H new ATOM 743 N MET A 54 14.121 7.202 3.878 1.00 0.00 N ATOM 744 CA MET A 54 12.795 7.619 3.438 1.00 0.00 C ATOM 745 C MET A 54 12.601 9.118 3.644 1.00 0.00 C ATOM 746 O MET A 54 12.334 9.856 2.696 1.00 0.00 O ATOM 747 CB MET A 54 11.715 6.844 4.195 1.00 0.00 C ATOM 748 CG MET A 54 11.542 5.414 3.711 1.00 0.00 C ATOM 749 SD MET A 54 10.500 4.431 4.807 1.00 0.00 S ATOM 750 CE MET A 54 9.996 3.113 3.704 1.00 0.00 C ATOM 0 H MET A 54 14.380 7.532 4.808 1.00 0.00 H new ATOM 0 HA MET A 54 12.708 7.402 2.373 1.00 0.00 H new ATOM 0 HB2 MET A 54 11.964 6.832 5.256 1.00 0.00 H new ATOM 0 HB3 MET A 54 10.765 7.370 4.096 1.00 0.00 H new ATOM 0 HG2 MET A 54 11.105 5.423 2.712 1.00 0.00 H new ATOM 0 HG3 MET A 54 12.521 4.942 3.627 1.00 0.00 H new ATOM 0 HE1 MET A 54 9.163 2.567 4.146 1.00 0.00 H new ATOM 0 HE2 MET A 54 9.686 3.537 2.749 1.00 0.00 H new ATOM 0 HE3 MET A 54 10.832 2.432 3.544 1.00 0.00 H new ATOM 760 N GLY A 55 12.735 9.562 4.890 1.00 0.00 N ATOM 761 CA GLY A 55 12.570 10.971 5.197 1.00 0.00 C ATOM 762 C GLY A 55 13.444 11.419 6.352 1.00 0.00 C ATOM 763 O GLY A 55 14.366 12.213 6.170 1.00 0.00 O ATOM 0 H GLY A 55 12.955 8.971 5.692 1.00 0.00 H new ATOM 0 HA2 GLY A 55 12.809 11.563 4.313 1.00 0.00 H new ATOM 0 HA3 GLY A 55 11.525 11.167 5.438 1.00 0.00 H new ATOM 767 N ALA A 56 13.154 10.909 7.545 1.00 0.00 N ATOM 768 CA ALA A 56 13.920 11.261 8.733 1.00 0.00 C ATOM 769 C ALA A 56 13.627 10.300 9.880 1.00 0.00 C ATOM 770 O ALA A 56 12.521 10.280 10.421 1.00 0.00 O ATOM 771 CB ALA A 56 13.619 12.692 9.151 1.00 0.00 C ATOM 0 H ALA A 56 12.394 10.250 7.713 1.00 0.00 H new ATOM 0 HA ALA A 56 14.979 11.181 8.488 1.00 0.00 H new ATOM 0 HB1 ALA A 56 14.199 12.941 10.040 1.00 0.00 H new ATOM 0 HB2 ALA A 56 13.886 13.371 8.342 1.00 0.00 H new ATOM 0 HB3 ALA A 56 12.556 12.791 9.371 1.00 0.00 H new ATOM 777 N THR A 57 14.625 9.502 10.247 1.00 0.00 N ATOM 778 CA THR A 57 14.473 8.536 11.329 1.00 0.00 C ATOM 779 C THR A 57 15.815 8.229 11.984 1.00 0.00 C ATOM 780 O THR A 57 16.848 8.190 11.316 1.00 0.00 O ATOM 781 CB THR A 57 13.848 7.222 10.825 1.00 0.00 C ATOM 782 OG1 THR A 57 13.699 6.302 11.912 1.00 0.00 O ATOM 783 CG2 THR A 57 14.709 6.595 9.739 1.00 0.00 C ATOM 0 H THR A 57 15.547 9.505 9.811 1.00 0.00 H new ATOM 0 HA THR A 57 13.807 8.987 12.065 1.00 0.00 H new ATOM 0 HB THR A 57 12.868 7.449 10.405 1.00 0.00 H new ATOM 0 HG1 THR A 57 13.299 5.470 11.584 1.00 0.00 H new ATOM 0 HG21 THR A 57 14.247 5.668 9.399 1.00 0.00 H new ATOM 0 HG22 THR A 57 14.797 7.286 8.900 1.00 0.00 H new ATOM 0 HG23 THR A 57 15.700 6.381 10.139 1.00 0.00 H new ATOM 791 N ALA A 58 15.792 8.012 13.295 1.00 0.00 N ATOM 792 CA ALA A 58 17.007 7.705 14.040 1.00 0.00 C ATOM 793 C ALA A 58 17.816 6.615 13.346 1.00 0.00 C ATOM 794 O ALA A 58 17.327 5.915 12.459 1.00 0.00 O ATOM 795 CB ALA A 58 16.663 7.286 15.461 1.00 0.00 C ATOM 0 H ALA A 58 14.945 8.043 13.863 1.00 0.00 H new ATOM 0 HA ALA A 58 17.618 8.607 14.077 1.00 0.00 H new ATOM 0 HB1 ALA A 58 17.580 7.060 16.006 1.00 0.00 H new ATOM 0 HB2 ALA A 58 16.134 8.097 15.962 1.00 0.00 H new ATOM 0 HB3 ALA A 58 16.028 6.400 15.436 1.00 0.00 H new ATOM 801 N PRO A 59 19.084 6.466 13.756 1.00 0.00 N ATOM 802 CA PRO A 59 19.988 5.462 13.187 1.00 0.00 C ATOM 803 C PRO A 59 19.593 4.041 13.573 1.00 0.00 C ATOM 804 O PRO A 59 20.253 3.077 13.186 1.00 0.00 O ATOM 805 CB PRO A 59 21.346 5.823 13.793 1.00 0.00 C ATOM 806 CG PRO A 59 21.019 6.528 15.064 1.00 0.00 C ATOM 807 CD PRO A 59 19.734 7.265 14.809 1.00 0.00 C ATOM 0 HA PRO A 59 19.976 5.474 12.097 1.00 0.00 H new ATOM 0 HB2 PRO A 59 21.946 4.932 13.978 1.00 0.00 H new ATOM 0 HB3 PRO A 59 21.921 6.462 13.123 1.00 0.00 H new ATOM 0 HG2 PRO A 59 20.907 5.820 15.885 1.00 0.00 H new ATOM 0 HG3 PRO A 59 21.815 7.217 15.344 1.00 0.00 H new ATOM 0 HD2 PRO A 59 19.119 7.322 15.707 1.00 0.00 H new ATOM 0 HD3 PRO A 59 19.916 8.289 14.482 1.00 0.00 H new ATOM 815 N GLU A 60 18.512 3.919 14.337 1.00 0.00 N ATOM 816 CA GLU A 60 18.030 2.614 14.775 1.00 0.00 C ATOM 817 C GLU A 60 17.505 1.803 13.593 1.00 0.00 C ATOM 818 O GLU A 60 17.922 0.666 13.373 1.00 0.00 O ATOM 819 CB GLU A 60 16.929 2.778 15.824 1.00 0.00 C ATOM 820 CG GLU A 60 17.449 3.176 17.195 1.00 0.00 C ATOM 821 CD GLU A 60 17.773 1.979 18.067 1.00 0.00 C ATOM 822 OE1 GLU A 60 17.032 0.976 17.997 1.00 0.00 O ATOM 823 OE2 GLU A 60 18.768 2.045 18.819 1.00 0.00 O ATOM 0 H GLU A 60 17.954 4.707 14.665 1.00 0.00 H new ATOM 0 HA GLU A 60 18.868 2.076 15.219 1.00 0.00 H new ATOM 0 HB2 GLU A 60 16.221 3.532 15.480 1.00 0.00 H new ATOM 0 HB3 GLU A 60 16.379 1.841 15.911 1.00 0.00 H new ATOM 0 HG2 GLU A 60 18.344 3.787 17.077 1.00 0.00 H new ATOM 0 HG3 GLU A 60 16.705 3.795 17.696 1.00 0.00 H new ATOM 830 N ALA A 61 16.588 2.397 12.837 1.00 0.00 N ATOM 831 CA ALA A 61 16.007 1.731 11.678 1.00 0.00 C ATOM 832 C ALA A 61 17.000 1.673 10.523 1.00 0.00 C ATOM 833 O ALA A 61 17.038 2.568 9.679 1.00 0.00 O ATOM 834 CB ALA A 61 14.733 2.442 11.245 1.00 0.00 C ATOM 0 H ALA A 61 16.232 3.338 13.006 1.00 0.00 H new ATOM 0 HA ALA A 61 15.761 0.708 11.963 1.00 0.00 H new ATOM 0 HB1 ALA A 61 14.309 1.934 10.378 1.00 0.00 H new ATOM 0 HB2 ALA A 61 14.012 2.427 12.062 1.00 0.00 H new ATOM 0 HB3 ALA A 61 14.964 3.475 10.983 1.00 0.00 H new ATOM 840 N GLN A 62 17.804 0.614 10.492 1.00 0.00 N ATOM 841 CA GLN A 62 18.799 0.441 9.441 1.00 0.00 C ATOM 842 C GLN A 62 18.481 -0.781 8.586 1.00 0.00 C ATOM 843 O GLN A 62 18.158 -0.657 7.405 1.00 0.00 O ATOM 844 CB GLN A 62 20.196 0.303 10.050 1.00 0.00 C ATOM 845 CG GLN A 62 20.591 1.472 10.937 1.00 0.00 C ATOM 846 CD GLN A 62 22.084 1.732 10.931 1.00 0.00 C ATOM 847 OE1 GLN A 62 22.861 0.969 11.507 1.00 0.00 O ATOM 848 NE2 GLN A 62 22.495 2.812 10.278 1.00 0.00 N ATOM 0 H GLN A 62 17.785 -0.136 11.183 1.00 0.00 H new ATOM 0 HA GLN A 62 18.774 1.324 8.803 1.00 0.00 H new ATOM 0 HB2 GLN A 62 20.239 -0.616 10.634 1.00 0.00 H new ATOM 0 HB3 GLN A 62 20.926 0.205 9.246 1.00 0.00 H new ATOM 0 HG2 GLN A 62 20.069 2.369 10.603 1.00 0.00 H new ATOM 0 HG3 GLN A 62 20.265 1.275 11.958 1.00 0.00 H new ATOM 0 HE21 GLN A 62 21.817 3.417 9.815 1.00 0.00 H new ATOM 0 HE22 GLN A 62 23.489 3.037 10.239 1.00 0.00 H new ATOM 857 N ARG A 63 18.575 -1.961 9.191 1.00 0.00 N ATOM 858 CA ARG A 63 18.299 -3.206 8.485 1.00 0.00 C ATOM 859 C ARG A 63 16.800 -3.490 8.449 1.00 0.00 C ATOM 860 O ARG A 63 16.299 -4.112 7.513 1.00 0.00 O ATOM 861 CB ARG A 63 19.034 -4.370 9.153 1.00 0.00 C ATOM 862 CG ARG A 63 20.453 -4.567 8.644 1.00 0.00 C ATOM 863 CD ARG A 63 21.437 -3.668 9.376 1.00 0.00 C ATOM 864 NE ARG A 63 22.587 -3.325 8.544 1.00 0.00 N ATOM 865 CZ ARG A 63 22.587 -2.329 7.665 1.00 0.00 C ATOM 866 NH1 ARG A 63 21.503 -1.583 7.503 1.00 0.00 N ATOM 867 NH2 ARG A 63 23.673 -2.078 6.945 1.00 0.00 N ATOM 0 H ARG A 63 18.840 -2.081 10.169 1.00 0.00 H new ATOM 0 HA ARG A 63 18.656 -3.100 7.461 1.00 0.00 H new ATOM 0 HB2 ARG A 63 19.063 -4.200 10.229 1.00 0.00 H new ATOM 0 HB3 ARG A 63 18.468 -5.287 8.990 1.00 0.00 H new ATOM 0 HG2 ARG A 63 20.745 -5.609 8.773 1.00 0.00 H new ATOM 0 HG3 ARG A 63 20.490 -4.355 7.575 1.00 0.00 H new ATOM 0 HD2 ARG A 63 20.931 -2.755 9.689 1.00 0.00 H new ATOM 0 HD3 ARG A 63 21.781 -4.168 10.281 1.00 0.00 H new ATOM 0 HE ARG A 63 23.437 -3.881 8.643 1.00 0.00 H new ATOM 0 HH11 ARG A 63 20.666 -1.773 8.054 1.00 0.00 H new ATOM 0 HH12 ARG A 63 21.506 -0.819 6.827 1.00 0.00 H new ATOM 0 HH21 ARG A 63 24.509 -2.650 7.066 1.00 0.00 H new ATOM 0 HH22 ARG A 63 23.672 -1.313 6.270 1.00 0.00 H new ATOM 881 N GLU A 64 16.092 -3.030 9.476 1.00 0.00 N ATOM 882 CA GLU A 64 14.651 -3.236 9.561 1.00 0.00 C ATOM 883 C GLU A 64 14.004 -3.140 8.182 1.00 0.00 C ATOM 884 O GLU A 64 14.443 -2.367 7.330 1.00 0.00 O ATOM 885 CB GLU A 64 14.021 -2.208 10.504 1.00 0.00 C ATOM 886 CG GLU A 64 12.573 -2.508 10.851 1.00 0.00 C ATOM 887 CD GLU A 64 12.182 -1.991 12.222 1.00 0.00 C ATOM 888 OE1 GLU A 64 12.942 -2.227 13.185 1.00 0.00 O ATOM 889 OE2 GLU A 64 11.117 -1.349 12.332 1.00 0.00 O ATOM 0 H GLU A 64 16.492 -2.513 10.259 1.00 0.00 H new ATOM 0 HA GLU A 64 14.476 -4.237 9.956 1.00 0.00 H new ATOM 0 HB2 GLU A 64 14.605 -2.165 11.423 1.00 0.00 H new ATOM 0 HB3 GLU A 64 14.079 -1.222 10.044 1.00 0.00 H new ATOM 0 HG2 GLU A 64 11.923 -2.060 10.099 1.00 0.00 H new ATOM 0 HG3 GLU A 64 12.410 -3.585 10.813 1.00 0.00 H new ATOM 896 N THR A 65 12.958 -3.933 7.969 1.00 0.00 N ATOM 897 CA THR A 65 12.252 -3.940 6.694 1.00 0.00 C ATOM 898 C THR A 65 10.755 -3.734 6.894 1.00 0.00 C ATOM 899 O THR A 65 10.140 -4.369 7.751 1.00 0.00 O ATOM 900 CB THR A 65 12.480 -5.260 5.933 1.00 0.00 C ATOM 901 OG1 THR A 65 12.183 -6.373 6.783 1.00 0.00 O ATOM 902 CG2 THR A 65 13.916 -5.360 5.442 1.00 0.00 C ATOM 0 H THR A 65 12.581 -4.578 8.663 1.00 0.00 H new ATOM 0 HA THR A 65 12.654 -3.116 6.105 1.00 0.00 H new ATOM 0 HB THR A 65 11.815 -5.275 5.069 1.00 0.00 H new ATOM 0 HG1 THR A 65 12.616 -7.178 6.431 1.00 0.00 H new ATOM 0 HG21 THR A 65 14.053 -6.300 4.908 1.00 0.00 H new ATOM 0 HG22 THR A 65 14.130 -4.527 4.772 1.00 0.00 H new ATOM 0 HG23 THR A 65 14.595 -5.324 6.294 1.00 0.00 H new ATOM 910 N VAL A 66 10.173 -2.844 6.097 1.00 0.00 N ATOM 911 CA VAL A 66 8.746 -2.556 6.185 1.00 0.00 C ATOM 912 C VAL A 66 8.037 -2.889 4.878 1.00 0.00 C ATOM 913 O VAL A 66 8.667 -2.992 3.825 1.00 0.00 O ATOM 914 CB VAL A 66 8.493 -1.077 6.532 1.00 0.00 C ATOM 915 CG1 VAL A 66 9.208 -0.700 7.820 1.00 0.00 C ATOM 916 CG2 VAL A 66 8.933 -0.179 5.385 1.00 0.00 C ATOM 0 H VAL A 66 10.668 -2.310 5.383 1.00 0.00 H new ATOM 0 HA VAL A 66 8.345 -3.182 6.982 1.00 0.00 H new ATOM 0 HB VAL A 66 7.423 -0.935 6.685 1.00 0.00 H new ATOM 0 HG11 VAL A 66 9.017 0.349 8.049 1.00 0.00 H new ATOM 0 HG12 VAL A 66 8.840 -1.322 8.636 1.00 0.00 H new ATOM 0 HG13 VAL A 66 10.280 -0.856 7.700 1.00 0.00 H new ATOM 0 HG21 VAL A 66 8.747 0.863 5.647 1.00 0.00 H new ATOM 0 HG22 VAL A 66 9.997 -0.322 5.199 1.00 0.00 H new ATOM 0 HG23 VAL A 66 8.370 -0.434 4.487 1.00 0.00 H new ATOM 926 N PHE A 67 6.720 -3.057 4.951 1.00 0.00 N ATOM 927 CA PHE A 67 5.924 -3.379 3.773 1.00 0.00 C ATOM 928 C PHE A 67 5.185 -2.146 3.263 1.00 0.00 C ATOM 929 O PHE A 67 4.346 -1.577 3.961 1.00 0.00 O ATOM 930 CB PHE A 67 4.922 -4.490 4.097 1.00 0.00 C ATOM 931 CG PHE A 67 5.569 -5.813 4.392 1.00 0.00 C ATOM 932 CD1 PHE A 67 5.941 -6.662 3.362 1.00 0.00 C ATOM 933 CD2 PHE A 67 5.806 -6.207 5.699 1.00 0.00 C ATOM 934 CE1 PHE A 67 6.535 -7.880 3.631 1.00 0.00 C ATOM 935 CE2 PHE A 67 6.401 -7.425 5.974 1.00 0.00 C ATOM 936 CZ PHE A 67 6.767 -8.262 4.938 1.00 0.00 C ATOM 0 H PHE A 67 6.182 -2.975 5.814 1.00 0.00 H new ATOM 0 HA PHE A 67 6.600 -3.725 2.991 1.00 0.00 H new ATOM 0 HB2 PHE A 67 4.322 -4.188 4.956 1.00 0.00 H new ATOM 0 HB3 PHE A 67 4.238 -4.608 3.256 1.00 0.00 H new ATOM 0 HD1 PHE A 67 5.765 -6.368 2.338 1.00 0.00 H new ATOM 0 HD2 PHE A 67 5.523 -5.556 6.513 1.00 0.00 H new ATOM 0 HE1 PHE A 67 6.818 -8.534 2.819 1.00 0.00 H new ATOM 0 HE2 PHE A 67 6.579 -7.721 6.997 1.00 0.00 H new ATOM 0 HZ PHE A 67 7.233 -9.213 5.149 1.00 0.00 H new ATOM 946 N VAL A 68 5.503 -1.737 2.039 1.00 0.00 N ATOM 947 CA VAL A 68 4.870 -0.572 1.433 1.00 0.00 C ATOM 948 C VAL A 68 3.991 -0.975 0.254 1.00 0.00 C ATOM 949 O VAL A 68 3.868 -2.157 -0.067 1.00 0.00 O ATOM 950 CB VAL A 68 5.918 0.450 0.952 1.00 0.00 C ATOM 951 CG1 VAL A 68 6.717 0.990 2.128 1.00 0.00 C ATOM 952 CG2 VAL A 68 6.838 -0.179 -0.084 1.00 0.00 C ATOM 0 H VAL A 68 6.196 -2.196 1.447 1.00 0.00 H new ATOM 0 HA VAL A 68 4.251 -0.112 2.203 1.00 0.00 H new ATOM 0 HB VAL A 68 5.397 1.285 0.484 1.00 0.00 H new ATOM 0 HG11 VAL A 68 7.452 1.710 1.768 1.00 0.00 H new ATOM 0 HG12 VAL A 68 6.043 1.479 2.831 1.00 0.00 H new ATOM 0 HG13 VAL A 68 7.229 0.168 2.628 1.00 0.00 H new ATOM 0 HG21 VAL A 68 7.572 0.556 -0.413 1.00 0.00 H new ATOM 0 HG22 VAL A 68 7.352 -1.033 0.357 1.00 0.00 H new ATOM 0 HG23 VAL A 68 6.249 -0.512 -0.939 1.00 0.00 H new ATOM 962 N CYS A 69 3.381 0.016 -0.388 1.00 0.00 N ATOM 963 CA CYS A 69 2.513 -0.233 -1.532 1.00 0.00 C ATOM 964 C CYS A 69 3.288 -0.111 -2.841 1.00 0.00 C ATOM 965 O CYS A 69 4.275 0.620 -2.923 1.00 0.00 O ATOM 966 CB CYS A 69 1.337 0.746 -1.530 1.00 0.00 C ATOM 967 SG CYS A 69 1.811 2.477 -1.842 1.00 0.00 S ATOM 0 H CYS A 69 3.472 1.000 -0.135 1.00 0.00 H new ATOM 0 HA CYS A 69 2.130 -1.250 -1.450 1.00 0.00 H new ATOM 0 HB2 CYS A 69 0.618 0.435 -2.288 1.00 0.00 H new ATOM 0 HB3 CYS A 69 0.830 0.687 -0.567 1.00 0.00 H new ATOM 972 N ALA A 70 2.834 -0.831 -3.861 1.00 0.00 N ATOM 973 CA ALA A 70 3.483 -0.801 -5.166 1.00 0.00 C ATOM 974 C ALA A 70 3.861 0.622 -5.559 1.00 0.00 C ATOM 975 O ALA A 70 4.984 0.880 -5.991 1.00 0.00 O ATOM 976 CB ALA A 70 2.576 -1.419 -6.220 1.00 0.00 C ATOM 0 H ALA A 70 2.019 -1.442 -3.809 1.00 0.00 H new ATOM 0 HA ALA A 70 4.400 -1.387 -5.102 1.00 0.00 H new ATOM 0 HB1 ALA A 70 3.073 -1.390 -7.190 1.00 0.00 H new ATOM 0 HB2 ALA A 70 2.361 -2.454 -5.953 1.00 0.00 H new ATOM 0 HB3 ALA A 70 1.644 -0.856 -6.273 1.00 0.00 H new ATOM 982 N SER A 71 2.915 1.544 -5.407 1.00 0.00 N ATOM 983 CA SER A 71 3.149 2.942 -5.750 1.00 0.00 C ATOM 984 C SER A 71 4.426 3.457 -5.094 1.00 0.00 C ATOM 985 O SER A 71 5.234 4.135 -5.729 1.00 0.00 O ATOM 986 CB SER A 71 1.958 3.801 -5.319 1.00 0.00 C ATOM 987 OG SER A 71 1.952 5.043 -6.000 1.00 0.00 O ATOM 0 H SER A 71 1.980 1.348 -5.049 1.00 0.00 H new ATOM 0 HA SER A 71 3.265 3.010 -6.832 1.00 0.00 H new ATOM 0 HB2 SER A 71 1.029 3.268 -5.521 1.00 0.00 H new ATOM 0 HB3 SER A 71 2.000 3.973 -4.243 1.00 0.00 H new ATOM 0 HG SER A 71 1.181 5.572 -5.708 1.00 0.00 H new ATOM 993 N CYS A 72 4.601 3.130 -3.818 1.00 0.00 N ATOM 994 CA CYS A 72 5.779 3.559 -3.073 1.00 0.00 C ATOM 995 C CYS A 72 6.982 2.682 -3.407 1.00 0.00 C ATOM 996 O CYS A 72 7.983 3.160 -3.940 1.00 0.00 O ATOM 997 CB CYS A 72 5.502 3.512 -1.569 1.00 0.00 C ATOM 998 SG CYS A 72 4.255 4.714 -1.005 1.00 0.00 S ATOM 0 H CYS A 72 3.942 2.569 -3.278 1.00 0.00 H new ATOM 0 HA CYS A 72 6.007 4.585 -3.362 1.00 0.00 H new ATOM 0 HB2 CYS A 72 5.170 2.508 -1.303 1.00 0.00 H new ATOM 0 HB3 CYS A 72 6.434 3.693 -1.033 1.00 0.00 H new ATOM 1003 N ASN A 73 6.877 1.396 -3.089 1.00 0.00 N ATOM 1004 CA ASN A 73 7.956 0.452 -3.355 1.00 0.00 C ATOM 1005 C ASN A 73 8.659 0.784 -4.668 1.00 0.00 C ATOM 1006 O ASN A 73 9.885 0.722 -4.760 1.00 0.00 O ATOM 1007 CB ASN A 73 7.412 -0.977 -3.403 1.00 0.00 C ATOM 1008 CG ASN A 73 8.456 -1.979 -3.859 1.00 0.00 C ATOM 1009 OD1 ASN A 73 9.336 -2.368 -3.091 1.00 0.00 O ATOM 1010 ND2 ASN A 73 8.362 -2.400 -5.115 1.00 0.00 N ATOM 0 H ASN A 73 6.056 0.984 -2.647 1.00 0.00 H new ATOM 0 HA ASN A 73 8.681 0.531 -2.545 1.00 0.00 H new ATOM 0 HB2 ASN A 73 7.050 -1.258 -2.414 1.00 0.00 H new ATOM 0 HB3 ASN A 73 6.557 -1.015 -4.078 1.00 0.00 H new ATOM 0 HD21 ASN A 73 9.036 -3.073 -5.479 1.00 0.00 H new ATOM 0 HD22 ASN A 73 7.616 -2.050 -5.716 1.00 0.00 H new ATOM 1017 N GLN A 74 7.873 1.138 -5.680 1.00 0.00 N ATOM 1018 CA GLN A 74 8.421 1.480 -6.988 1.00 0.00 C ATOM 1019 C GLN A 74 9.231 2.770 -6.918 1.00 0.00 C ATOM 1020 O GLN A 74 10.329 2.857 -7.468 1.00 0.00 O ATOM 1021 CB GLN A 74 7.295 1.626 -8.013 1.00 0.00 C ATOM 1022 CG GLN A 74 6.925 0.321 -8.700 1.00 0.00 C ATOM 1023 CD GLN A 74 8.020 -0.184 -9.620 1.00 0.00 C ATOM 1024 OE1 GLN A 74 9.172 0.238 -9.523 1.00 0.00 O ATOM 1025 NE2 GLN A 74 7.664 -1.093 -10.520 1.00 0.00 N ATOM 0 H GLN A 74 6.856 1.195 -5.620 1.00 0.00 H new ATOM 0 HA GLN A 74 9.084 0.673 -7.299 1.00 0.00 H new ATOM 0 HB2 GLN A 74 6.412 2.028 -7.516 1.00 0.00 H new ATOM 0 HB3 GLN A 74 7.594 2.353 -8.768 1.00 0.00 H new ATOM 0 HG2 GLN A 74 6.712 -0.436 -7.945 1.00 0.00 H new ATOM 0 HG3 GLN A 74 6.010 0.464 -9.275 1.00 0.00 H new ATOM 0 HE21 GLN A 74 6.697 -1.415 -10.565 1.00 0.00 H new ATOM 0 HE22 GLN A 74 8.357 -1.470 -11.166 1.00 0.00 H new ATOM 1034 N THR A 75 8.682 3.772 -6.238 1.00 0.00 N ATOM 1035 CA THR A 75 9.352 5.059 -6.098 1.00 0.00 C ATOM 1036 C THR A 75 10.628 4.927 -5.273 1.00 0.00 C ATOM 1037 O THR A 75 11.673 5.468 -5.636 1.00 0.00 O ATOM 1038 CB THR A 75 8.433 6.102 -5.436 1.00 0.00 C ATOM 1039 OG1 THR A 75 7.246 6.276 -6.219 1.00 0.00 O ATOM 1040 CG2 THR A 75 9.148 7.437 -5.287 1.00 0.00 C ATOM 0 H THR A 75 7.775 3.717 -5.775 1.00 0.00 H new ATOM 0 HA THR A 75 9.605 5.395 -7.104 1.00 0.00 H new ATOM 0 HB THR A 75 8.164 5.739 -4.444 1.00 0.00 H new ATOM 0 HG1 THR A 75 6.617 5.550 -6.026 1.00 0.00 H new ATOM 0 HG21 THR A 75 8.479 8.158 -4.817 1.00 0.00 H new ATOM 0 HG22 THR A 75 10.035 7.307 -4.667 1.00 0.00 H new ATOM 0 HG23 THR A 75 9.443 7.803 -6.270 1.00 0.00 H new ATOM 1048 N LEU A 76 10.536 4.204 -4.162 1.00 0.00 N ATOM 1049 CA LEU A 76 11.684 4.000 -3.285 1.00 0.00 C ATOM 1050 C LEU A 76 12.817 3.297 -4.027 1.00 0.00 C ATOM 1051 O LEU A 76 13.966 3.737 -3.985 1.00 0.00 O ATOM 1052 CB LEU A 76 11.275 3.180 -2.060 1.00 0.00 C ATOM 1053 CG LEU A 76 10.181 3.787 -1.181 1.00 0.00 C ATOM 1054 CD1 LEU A 76 9.769 2.811 -0.091 1.00 0.00 C ATOM 1055 CD2 LEU A 76 10.652 5.101 -0.574 1.00 0.00 C ATOM 0 H LEU A 76 9.679 3.749 -3.847 1.00 0.00 H new ATOM 0 HA LEU A 76 12.039 4.977 -2.958 1.00 0.00 H new ATOM 0 HB2 LEU A 76 10.939 2.200 -2.399 1.00 0.00 H new ATOM 0 HB3 LEU A 76 12.160 3.018 -1.444 1.00 0.00 H new ATOM 0 HG LEU A 76 9.311 3.990 -1.805 1.00 0.00 H new ATOM 0 HD11 LEU A 76 8.990 3.261 0.524 1.00 0.00 H new ATOM 0 HD12 LEU A 76 9.389 1.896 -0.546 1.00 0.00 H new ATOM 0 HD13 LEU A 76 10.632 2.575 0.532 1.00 0.00 H new ATOM 0 HD21 LEU A 76 9.861 5.519 0.048 1.00 0.00 H new ATOM 0 HD22 LEU A 76 11.538 4.923 0.036 1.00 0.00 H new ATOM 0 HD23 LEU A 76 10.895 5.803 -1.371 1.00 0.00 H new ATOM 1067 N SER A 77 12.485 2.204 -4.705 1.00 0.00 N ATOM 1068 CA SER A 77 13.474 1.439 -5.455 1.00 0.00 C ATOM 1069 C SER A 77 14.284 2.350 -6.373 1.00 0.00 C ATOM 1070 O SER A 77 15.497 2.192 -6.511 1.00 0.00 O ATOM 1071 CB SER A 77 12.789 0.346 -6.278 1.00 0.00 C ATOM 1072 OG SER A 77 13.724 -0.628 -6.711 1.00 0.00 O ATOM 0 H SER A 77 11.538 1.828 -4.751 1.00 0.00 H new ATOM 0 HA SER A 77 14.154 0.974 -4.741 1.00 0.00 H new ATOM 0 HB2 SER A 77 12.013 -0.131 -5.680 1.00 0.00 H new ATOM 0 HB3 SER A 77 12.297 0.792 -7.142 1.00 0.00 H new ATOM 0 HG SER A 77 13.261 -1.316 -7.233 1.00 0.00 H new ATOM 1078 N LYS A 78 13.603 3.304 -6.999 1.00 0.00 N ATOM 1079 CA LYS A 78 14.257 4.243 -7.903 1.00 0.00 C ATOM 1080 C LYS A 78 14.612 5.538 -7.179 1.00 0.00 C ATOM 1081 O LYS A 78 14.402 6.631 -7.705 1.00 0.00 O ATOM 1082 CB LYS A 78 13.351 4.546 -9.098 1.00 0.00 C ATOM 1083 CG LYS A 78 12.083 5.295 -8.726 1.00 0.00 C ATOM 1084 CD LYS A 78 11.544 6.096 -9.899 1.00 0.00 C ATOM 1085 CE LYS A 78 10.639 5.252 -10.783 1.00 0.00 C ATOM 1086 NZ LYS A 78 11.408 4.237 -11.555 1.00 0.00 N ATOM 0 H LYS A 78 12.598 3.447 -6.897 1.00 0.00 H new ATOM 0 HA LYS A 78 15.178 3.783 -8.260 1.00 0.00 H new ATOM 0 HB2 LYS A 78 13.909 5.134 -9.827 1.00 0.00 H new ATOM 0 HB3 LYS A 78 13.080 3.609 -9.584 1.00 0.00 H new ATOM 0 HG2 LYS A 78 11.326 4.586 -8.390 1.00 0.00 H new ATOM 0 HG3 LYS A 78 12.287 5.964 -7.890 1.00 0.00 H new ATOM 0 HD2 LYS A 78 10.990 6.958 -9.528 1.00 0.00 H new ATOM 0 HD3 LYS A 78 12.375 6.481 -10.490 1.00 0.00 H new ATOM 0 HE2 LYS A 78 9.893 4.751 -10.166 1.00 0.00 H new ATOM 0 HE3 LYS A 78 10.098 5.900 -11.473 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 10.924 4.046 -12.456 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 12.365 4.597 -11.745 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 11.473 3.357 -11.004 1.00 0.00 H new ATOM 1100 N SER A 79 15.151 5.407 -5.972 1.00 0.00 N ATOM 1101 CA SER A 79 15.533 6.567 -5.175 1.00 0.00 C ATOM 1102 C SER A 79 16.978 6.967 -5.456 1.00 0.00 C ATOM 1103 O SER A 79 17.898 6.543 -4.757 1.00 0.00 O ATOM 1104 CB SER A 79 15.353 6.271 -3.685 1.00 0.00 C ATOM 1105 OG SER A 79 14.040 6.588 -3.256 1.00 0.00 O ATOM 0 H SER A 79 15.333 4.509 -5.524 1.00 0.00 H new ATOM 0 HA SER A 79 14.884 7.398 -5.453 1.00 0.00 H new ATOM 0 HB2 SER A 79 15.557 5.218 -3.493 1.00 0.00 H new ATOM 0 HB3 SER A 79 16.076 6.846 -3.107 1.00 0.00 H new ATOM 0 HG SER A 79 13.951 6.388 -2.301 1.00 0.00 H new ATOM 1111 N GLY A 80 17.170 7.787 -6.485 1.00 0.00 N ATOM 1112 CA GLY A 80 18.505 8.230 -6.841 1.00 0.00 C ATOM 1113 C GLY A 80 18.930 9.466 -6.072 1.00 0.00 C ATOM 1114 O GLY A 80 18.684 9.592 -4.872 1.00 0.00 O ATOM 0 H GLY A 80 16.425 8.152 -7.078 1.00 0.00 H new ATOM 0 HA2 GLY A 80 19.215 7.425 -6.650 1.00 0.00 H new ATOM 0 HA3 GLY A 80 18.542 8.440 -7.910 1.00 0.00 H new ATOM 1118 N PRO A 81 19.585 10.405 -6.770 1.00 0.00 N ATOM 1119 CA PRO A 81 20.060 11.654 -6.165 1.00 0.00 C ATOM 1120 C PRO A 81 18.915 12.589 -5.792 1.00 0.00 C ATOM 1121 O PRO A 81 18.878 13.130 -4.687 1.00 0.00 O ATOM 1122 CB PRO A 81 20.922 12.276 -7.266 1.00 0.00 C ATOM 1123 CG PRO A 81 20.382 11.712 -8.535 1.00 0.00 C ATOM 1124 CD PRO A 81 19.913 10.322 -8.203 1.00 0.00 C ATOM 0 HA PRO A 81 20.597 11.477 -5.233 1.00 0.00 H new ATOM 0 HB2 PRO A 81 20.853 13.364 -7.255 1.00 0.00 H new ATOM 0 HB3 PRO A 81 21.974 12.022 -7.136 1.00 0.00 H new ATOM 0 HG2 PRO A 81 19.561 12.321 -8.915 1.00 0.00 H new ATOM 0 HG3 PRO A 81 21.148 11.691 -9.310 1.00 0.00 H new ATOM 0 HD2 PRO A 81 19.045 10.038 -8.798 1.00 0.00 H new ATOM 0 HD3 PRO A 81 20.688 9.580 -8.395 1.00 0.00 H new ATOM 1132 N SER A 82 17.982 12.775 -6.721 1.00 0.00 N ATOM 1133 CA SER A 82 16.838 13.648 -6.491 1.00 0.00 C ATOM 1134 C SER A 82 15.929 13.079 -5.405 1.00 0.00 C ATOM 1135 O SER A 82 15.028 12.289 -5.685 1.00 0.00 O ATOM 1136 CB SER A 82 16.046 13.838 -7.786 1.00 0.00 C ATOM 1137 OG SER A 82 16.844 14.444 -8.788 1.00 0.00 O ATOM 0 H SER A 82 17.997 12.332 -7.640 1.00 0.00 H new ATOM 0 HA SER A 82 17.213 14.615 -6.157 1.00 0.00 H new ATOM 0 HB2 SER A 82 15.684 12.873 -8.140 1.00 0.00 H new ATOM 0 HB3 SER A 82 15.169 14.456 -7.592 1.00 0.00 H new ATOM 0 HG SER A 82 16.315 14.553 -9.606 1.00 0.00 H new ATOM 1143 N SER A 83 16.175 13.486 -4.164 1.00 0.00 N ATOM 1144 CA SER A 83 15.383 13.014 -3.034 1.00 0.00 C ATOM 1145 C SER A 83 14.737 14.184 -2.297 1.00 0.00 C ATOM 1146 O SER A 83 13.530 14.193 -2.061 1.00 0.00 O ATOM 1147 CB SER A 83 16.258 12.210 -2.070 1.00 0.00 C ATOM 1148 OG SER A 83 17.357 12.981 -1.615 1.00 0.00 O ATOM 0 H SER A 83 16.916 14.141 -3.915 1.00 0.00 H new ATOM 0 HA SER A 83 14.593 12.369 -3.420 1.00 0.00 H new ATOM 0 HB2 SER A 83 15.661 11.884 -1.218 1.00 0.00 H new ATOM 0 HB3 SER A 83 16.622 11.311 -2.568 1.00 0.00 H new ATOM 0 HG SER A 83 17.900 12.446 -0.999 1.00 0.00 H new ATOM 1154 N GLY A 84 15.553 15.170 -1.935 1.00 0.00 N ATOM 1155 CA GLY A 84 15.044 16.331 -1.229 1.00 0.00 C ATOM 1156 C GLY A 84 16.108 17.010 -0.388 1.00 0.00 C ATOM 1157 O GLY A 84 17.175 17.326 -0.913 1.00 0.00 O ATOM 0 H GLY A 84 16.556 15.185 -2.118 1.00 0.00 H new ATOM 0 HA2 GLY A 84 14.645 17.045 -1.950 1.00 0.00 H new ATOM 0 HA3 GLY A 84 14.216 16.029 -0.588 1.00 0.00 H new TER 1161 GLY A 84 HETATM 1162 ZN ZN A 201 -4.357 -3.548 -4.452 1.00 0.00 ZN HETATM 1163 ZN ZN A 401 2.519 3.607 0.056 1.00 0.00 ZN