USER MOD reduce.3.24.130724 H: found=0, std=0, add=897, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 898 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 25 THR OG1 : rot -78:sc= 1.11 USER MOD Set 1.2: A 117 TYR OH : rot 23:sc= 0.0827 USER MOD Set 2.1: A 7 THR OG1 : rot 121:sc= 0.0399 USER MOD Set 2.2: A 9 THR OG1 : rot 103:sc= 1.35 USER MOD Set 3.1: A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.2: A 6 TYR OH : rot -8:sc= 0.845 USER MOD Single : A 3 MET CE :methyl 170:sc= -0.0313 (180deg=-0.241) USER MOD Single : A 5 LYS NZ :NH3+ -169:sc= 1.22 (180deg=1.17) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 HIS : no HD1:sc= -0.362 X(o=-0.36,f=-0.61) USER MOD Single : A 14 SER OG : rot 125:sc= 0.0657 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 THR OG1 : rot 180:sc= -0.188 USER MOD Single : A 26 ASN : amide:sc= 0 X(o=0,f=-0.043) USER MOD Single : A 27 HIS : no HD1:sc= -0.145 X(o=-0.14,f=-0.0059) USER MOD Single : A 29 GLN : amide:sc= 0.742 K(o=0.74,f=-4!) USER MOD Single : A 31 GLN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 176:sc= 0.61 (180deg=0.599) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 180:sc= -0.0227 USER MOD Single : A 60 LYS NZ :NH3+ -132:sc= -0.129 (180deg=-1.25!) USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot 180:sc= 0.0771 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 ASN : amide:sc= 1.26 K(o=1.3,f=-6.3!) USER MOD Single : A 79 LYS NZ :NH3+ -146:sc= 0.728 (180deg=0.155) USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 ASN : amide:sc= 0.803 K(o=0.8,f=0) USER MOD Single : A 89 LYS NZ :NH3+ 165:sc= 0 (180deg=-0.2) USER MOD Single : A 99 LYS NZ :NH3+ 153:sc= 0.573 (180deg=-0.423!) USER MOD Single : A 100 MET CE :methyl -131:sc= -0.213 (180deg=-1.8) USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD Single : A 115 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 118 GLN : amide:sc= -1.97! K(o=-2!,f=0) USER MOD ----------------------------------------------------------------- ATOM 40 N MET A 3 11.775 -2.596 -8.465 1.00 0.00 N ATOM 41 CA MET A 3 11.543 -3.704 -7.545 1.00 0.00 C ATOM 42 C MET A 3 10.179 -3.512 -6.891 1.00 0.00 C ATOM 43 O MET A 3 9.756 -2.384 -6.643 1.00 0.00 O ATOM 44 CB MET A 3 12.701 -3.737 -6.534 1.00 0.00 C ATOM 45 CG MET A 3 12.540 -4.824 -5.463 1.00 0.00 C ATOM 46 SD MET A 3 13.978 -5.201 -4.409 1.00 0.00 S ATOM 47 CE MET A 3 15.143 -3.843 -4.734 1.00 0.00 C ATOM 0 HA MET A 3 11.523 -4.668 -8.053 1.00 0.00 H new ATOM 0 HB2 MET A 3 13.637 -3.899 -7.069 1.00 0.00 H new ATOM 0 HB3 MET A 3 12.777 -2.765 -6.047 1.00 0.00 H new ATOM 0 HG2 MET A 3 11.715 -4.533 -4.812 1.00 0.00 H new ATOM 0 HG3 MET A 3 12.241 -5.745 -5.963 1.00 0.00 H new ATOM 0 HE1 MET A 3 15.962 -3.886 -4.016 1.00 0.00 H new ATOM 0 HE2 MET A 3 15.541 -3.939 -5.744 1.00 0.00 H new ATOM 0 HE3 MET A 3 14.625 -2.889 -4.637 1.00 0.00 H new ATOM 57 N LYS A 4 9.467 -4.601 -6.610 1.00 0.00 N ATOM 58 CA LYS A 4 8.116 -4.574 -6.059 1.00 0.00 C ATOM 59 C LYS A 4 7.993 -5.685 -5.035 1.00 0.00 C ATOM 60 O LYS A 4 7.891 -6.859 -5.397 1.00 0.00 O ATOM 61 CB LYS A 4 7.087 -4.634 -7.202 1.00 0.00 C ATOM 62 CG LYS A 4 5.680 -5.166 -6.857 1.00 0.00 C ATOM 63 CD LYS A 4 4.570 -4.350 -7.541 1.00 0.00 C ATOM 64 CE LYS A 4 3.348 -5.193 -7.911 1.00 0.00 C ATOM 65 NZ LYS A 4 3.587 -6.026 -9.111 1.00 0.00 N ATOM 0 H LYS A 4 9.821 -5.545 -6.762 1.00 0.00 H new ATOM 0 HA LYS A 4 7.908 -3.641 -5.534 1.00 0.00 H new ATOM 0 HB2 LYS A 4 6.977 -3.630 -7.611 1.00 0.00 H new ATOM 0 HB3 LYS A 4 7.499 -5.258 -7.995 1.00 0.00 H new ATOM 0 HG2 LYS A 4 5.603 -6.210 -7.162 1.00 0.00 H new ATOM 0 HG3 LYS A 4 5.537 -5.138 -5.777 1.00 0.00 H new ATOM 0 HD2 LYS A 4 4.260 -3.542 -6.878 1.00 0.00 H new ATOM 0 HD3 LYS A 4 4.971 -3.886 -8.442 1.00 0.00 H new ATOM 0 HE2 LYS A 4 3.084 -5.836 -7.071 1.00 0.00 H new ATOM 0 HE3 LYS A 4 2.496 -4.537 -8.090 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 2.733 -6.580 -9.325 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 3.813 -5.413 -9.920 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 4.383 -6.671 -8.933 1.00 0.00 H new ATOM 79 N LYS A 5 8.102 -5.325 -3.758 1.00 0.00 N ATOM 80 CA LYS A 5 7.961 -6.270 -2.653 1.00 0.00 C ATOM 81 C LYS A 5 6.567 -6.109 -2.042 1.00 0.00 C ATOM 82 O LYS A 5 5.775 -5.293 -2.516 1.00 0.00 O ATOM 83 CB LYS A 5 9.144 -6.124 -1.672 1.00 0.00 C ATOM 84 CG LYS A 5 10.518 -6.238 -2.382 1.00 0.00 C ATOM 85 CD LYS A 5 11.501 -7.264 -1.791 1.00 0.00 C ATOM 86 CE LYS A 5 11.527 -8.578 -2.578 1.00 0.00 C ATOM 87 NZ LYS A 5 12.874 -9.173 -2.704 1.00 0.00 N ATOM 0 H LYS A 5 8.291 -4.368 -3.460 1.00 0.00 H new ATOM 0 HA LYS A 5 8.020 -7.304 -2.993 1.00 0.00 H new ATOM 0 HB2 LYS A 5 9.077 -5.160 -1.168 1.00 0.00 H new ATOM 0 HB3 LYS A 5 9.071 -6.892 -0.902 1.00 0.00 H new ATOM 0 HG2 LYS A 5 10.344 -6.492 -3.428 1.00 0.00 H new ATOM 0 HG3 LYS A 5 10.995 -5.258 -2.367 1.00 0.00 H new ATOM 0 HD2 LYS A 5 12.503 -6.834 -1.776 1.00 0.00 H new ATOM 0 HD3 LYS A 5 11.227 -7.470 -0.756 1.00 0.00 H new ATOM 0 HE2 LYS A 5 10.868 -9.296 -2.090 1.00 0.00 H new ATOM 0 HE3 LYS A 5 11.124 -8.401 -3.575 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 12.848 -9.948 -3.397 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 13.546 -8.446 -3.023 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 13.178 -9.543 -1.781 1.00 0.00 H new ATOM 101 N TYR A 6 6.238 -6.897 -1.024 1.00 0.00 N ATOM 102 CA TYR A 6 4.935 -6.935 -0.361 1.00 0.00 C ATOM 103 C TYR A 6 5.153 -7.172 1.133 1.00 0.00 C ATOM 104 O TYR A 6 6.279 -7.420 1.552 1.00 0.00 O ATOM 105 CB TYR A 6 4.092 -8.080 -0.934 1.00 0.00 C ATOM 106 CG TYR A 6 3.898 -8.104 -2.443 1.00 0.00 C ATOM 107 CD1 TYR A 6 4.932 -8.542 -3.295 1.00 0.00 C ATOM 108 CD2 TYR A 6 2.668 -7.709 -2.997 1.00 0.00 C ATOM 109 CE1 TYR A 6 4.765 -8.515 -4.690 1.00 0.00 C ATOM 110 CE2 TYR A 6 2.475 -7.723 -4.390 1.00 0.00 C ATOM 111 CZ TYR A 6 3.525 -8.123 -5.245 1.00 0.00 C ATOM 112 OH TYR A 6 3.321 -8.117 -6.594 1.00 0.00 O ATOM 0 H TYR A 6 6.901 -7.558 -0.619 1.00 0.00 H new ATOM 0 HA TYR A 6 4.414 -5.991 -0.523 1.00 0.00 H new ATOM 0 HB2 TYR A 6 4.552 -9.022 -0.636 1.00 0.00 H new ATOM 0 HB3 TYR A 6 3.108 -8.044 -0.466 1.00 0.00 H new ATOM 0 HD1 TYR A 6 5.859 -8.901 -2.873 1.00 0.00 H new ATOM 0 HD2 TYR A 6 1.865 -7.392 -2.348 1.00 0.00 H new ATOM 0 HE1 TYR A 6 5.583 -8.793 -5.338 1.00 0.00 H new ATOM 0 HE2 TYR A 6 1.523 -7.428 -4.806 1.00 0.00 H new ATOM 0 HH TYR A 6 4.171 -8.281 -7.054 1.00 0.00 H new ATOM 122 N THR A 7 4.098 -7.141 1.946 1.00 0.00 N ATOM 123 CA THR A 7 4.202 -7.265 3.399 1.00 0.00 C ATOM 124 C THR A 7 3.177 -8.249 3.983 1.00 0.00 C ATOM 125 O THR A 7 2.550 -9.044 3.273 1.00 0.00 O ATOM 126 CB THR A 7 4.131 -5.849 4.026 1.00 0.00 C ATOM 127 OG1 THR A 7 2.959 -5.160 3.643 1.00 0.00 O ATOM 128 CG2 THR A 7 5.309 -4.966 3.621 1.00 0.00 C ATOM 0 H THR A 7 3.141 -7.028 1.613 1.00 0.00 H new ATOM 0 HA THR A 7 5.166 -7.705 3.656 1.00 0.00 H new ATOM 0 HB THR A 7 4.145 -6.024 5.102 1.00 0.00 H new ATOM 0 HG1 THR A 7 2.440 -4.928 4.441 1.00 0.00 H new ATOM 0 HG21 THR A 7 5.207 -3.987 4.089 1.00 0.00 H new ATOM 0 HG22 THR A 7 6.240 -5.429 3.947 1.00 0.00 H new ATOM 0 HG23 THR A 7 5.322 -4.851 2.537 1.00 0.00 H new ATOM 136 N LYS A 8 3.011 -8.177 5.298 1.00 0.00 N ATOM 137 CA LYS A 8 2.031 -8.885 6.111 1.00 0.00 C ATOM 138 C LYS A 8 0.668 -8.216 6.033 1.00 0.00 C ATOM 139 O LYS A 8 -0.363 -8.869 6.139 1.00 0.00 O ATOM 140 CB LYS A 8 2.522 -8.954 7.579 1.00 0.00 C ATOM 141 CG LYS A 8 3.934 -8.376 7.843 1.00 0.00 C ATOM 142 CD LYS A 8 4.486 -8.781 9.203 1.00 0.00 C ATOM 143 CE LYS A 8 4.692 -10.293 9.170 1.00 0.00 C ATOM 144 NZ LYS A 8 6.037 -10.705 9.600 1.00 0.00 N ATOM 0 H LYS A 8 3.605 -7.575 5.868 1.00 0.00 H new ATOM 0 HA LYS A 8 1.924 -9.898 5.723 1.00 0.00 H new ATOM 0 HB2 LYS A 8 1.808 -8.421 8.207 1.00 0.00 H new ATOM 0 HB3 LYS A 8 2.511 -9.996 7.898 1.00 0.00 H new ATOM 0 HG2 LYS A 8 4.614 -8.717 7.062 1.00 0.00 H new ATOM 0 HG3 LYS A 8 3.895 -7.289 7.780 1.00 0.00 H new ATOM 0 HD2 LYS A 8 5.426 -8.268 9.406 1.00 0.00 H new ATOM 0 HD3 LYS A 8 3.794 -8.504 9.998 1.00 0.00 H new ATOM 0 HE2 LYS A 8 3.951 -10.768 9.813 1.00 0.00 H new ATOM 0 HE3 LYS A 8 4.515 -10.655 8.157 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 6.114 -11.741 9.555 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 6.748 -10.278 8.973 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 6.202 -10.387 10.577 1.00 0.00 H new ATOM 158 N THR A 9 0.635 -6.903 5.853 1.00 0.00 N ATOM 159 CA THR A 9 -0.594 -6.145 6.028 1.00 0.00 C ATOM 160 C THR A 9 -1.407 -6.088 4.733 1.00 0.00 C ATOM 161 O THR A 9 -2.099 -5.111 4.475 1.00 0.00 O ATOM 162 CB THR A 9 -0.203 -4.780 6.611 1.00 0.00 C ATOM 163 OG1 THR A 9 0.782 -4.147 5.816 1.00 0.00 O ATOM 164 CG2 THR A 9 0.435 -4.998 7.993 1.00 0.00 C ATOM 0 H THR A 9 1.444 -6.342 5.586 1.00 0.00 H new ATOM 0 HA THR A 9 -1.273 -6.630 6.729 1.00 0.00 H new ATOM 0 HB THR A 9 -1.103 -4.166 6.656 1.00 0.00 H new ATOM 0 HG1 THR A 9 0.364 -3.447 5.272 1.00 0.00 H new ATOM 0 HG21 THR A 9 0.718 -4.035 8.419 1.00 0.00 H new ATOM 0 HG22 THR A 9 -0.281 -5.490 8.651 1.00 0.00 H new ATOM 0 HG23 THR A 9 1.322 -5.624 7.890 1.00 0.00 H new ATOM 172 N HIS A 10 -1.322 -7.111 3.877 1.00 0.00 N ATOM 173 CA HIS A 10 -1.941 -7.181 2.549 1.00 0.00 C ATOM 174 C HIS A 10 -1.781 -5.909 1.685 1.00 0.00 C ATOM 175 O HIS A 10 -2.572 -5.689 0.776 1.00 0.00 O ATOM 176 CB HIS A 10 -3.381 -7.732 2.641 1.00 0.00 C ATOM 177 CG HIS A 10 -4.175 -7.299 3.843 1.00 0.00 C ATOM 178 ND1 HIS A 10 -4.899 -6.128 3.989 1.00 0.00 N ATOM 179 CD2 HIS A 10 -4.174 -7.951 5.044 1.00 0.00 C ATOM 180 CE1 HIS A 10 -5.309 -6.082 5.264 1.00 0.00 C ATOM 181 NE2 HIS A 10 -4.876 -7.168 5.932 1.00 0.00 N ATOM 0 H HIS A 10 -0.794 -7.954 4.102 1.00 0.00 H new ATOM 0 HA HIS A 10 -1.366 -7.907 1.975 1.00 0.00 H new ATOM 0 HB2 HIS A 10 -3.923 -7.431 1.744 1.00 0.00 H new ATOM 0 HB3 HIS A 10 -3.334 -8.821 2.634 1.00 0.00 H new ATOM 0 HD2 HIS A 10 -3.709 -8.902 5.257 1.00 0.00 H new ATOM 0 HE1 HIS A 10 -5.902 -5.288 5.694 1.00 0.00 H new ATOM 0 HE2 HIS A 10 -5.039 -7.373 6.918 1.00 0.00 H new ATOM 190 N GLU A 11 -0.733 -5.118 1.882 1.00 0.00 N ATOM 191 CA GLU A 11 -0.146 -4.111 1.004 1.00 0.00 C ATOM 192 C GLU A 11 0.812 -4.717 -0.033 1.00 0.00 C ATOM 193 O GLU A 11 1.293 -5.848 0.109 1.00 0.00 O ATOM 194 CB GLU A 11 0.626 -3.102 1.873 1.00 0.00 C ATOM 195 CG GLU A 11 -0.250 -1.933 2.331 1.00 0.00 C ATOM 196 CD GLU A 11 0.187 -1.417 3.703 1.00 0.00 C ATOM 197 OE1 GLU A 11 -0.264 -2.023 4.711 1.00 0.00 O ATOM 198 OE2 GLU A 11 0.910 -0.400 3.753 1.00 0.00 O ATOM 0 H GLU A 11 -0.216 -5.173 2.759 1.00 0.00 H new ATOM 0 HA GLU A 11 -0.955 -3.631 0.454 1.00 0.00 H new ATOM 0 HB2 GLU A 11 1.030 -3.614 2.747 1.00 0.00 H new ATOM 0 HB3 GLU A 11 1.475 -2.716 1.309 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -0.193 -1.125 1.601 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -1.292 -2.251 2.374 1.00 0.00 H new ATOM 205 N TRP A 12 1.143 -3.918 -1.045 1.00 0.00 N ATOM 206 CA TRP A 12 2.259 -4.083 -1.972 1.00 0.00 C ATOM 207 C TRP A 12 3.120 -2.818 -1.946 1.00 0.00 C ATOM 208 O TRP A 12 2.737 -1.805 -1.354 1.00 0.00 O ATOM 209 CB TRP A 12 1.741 -4.360 -3.390 1.00 0.00 C ATOM 210 CG TRP A 12 0.723 -3.402 -3.926 1.00 0.00 C ATOM 211 CD1 TRP A 12 -0.609 -3.560 -3.781 1.00 0.00 C ATOM 212 CD2 TRP A 12 0.892 -2.203 -4.752 1.00 0.00 C ATOM 213 NE1 TRP A 12 -1.273 -2.546 -4.424 1.00 0.00 N ATOM 214 CE2 TRP A 12 -0.404 -1.701 -5.069 1.00 0.00 C ATOM 215 CE3 TRP A 12 1.984 -1.521 -5.333 1.00 0.00 C ATOM 216 CZ2 TRP A 12 -0.617 -0.644 -5.964 1.00 0.00 C ATOM 217 CZ3 TRP A 12 1.770 -0.442 -6.215 1.00 0.00 C ATOM 218 CH2 TRP A 12 0.481 -0.015 -6.550 1.00 0.00 C ATOM 0 H TRP A 12 0.600 -3.080 -1.253 1.00 0.00 H new ATOM 0 HA TRP A 12 2.865 -4.936 -1.666 1.00 0.00 H new ATOM 0 HB2 TRP A 12 2.593 -4.368 -4.069 1.00 0.00 H new ATOM 0 HB3 TRP A 12 1.310 -5.361 -3.407 1.00 0.00 H new ATOM 0 HD1 TRP A 12 -1.082 -4.365 -3.239 1.00 0.00 H new ATOM 0 HE1 TRP A 12 -2.287 -2.434 -4.423 1.00 0.00 H new ATOM 0 HE3 TRP A 12 2.992 -1.829 -5.099 1.00 0.00 H new ATOM 0 HZ2 TRP A 12 -1.620 -0.320 -6.197 1.00 0.00 H new ATOM 0 HZ3 TRP A 12 2.622 0.067 -6.642 1.00 0.00 H new ATOM 0 HH2 TRP A 12 0.338 0.792 -7.254 1.00 0.00 H new ATOM 229 N VAL A 13 4.289 -2.884 -2.581 1.00 0.00 N ATOM 230 CA VAL A 13 5.261 -1.809 -2.683 1.00 0.00 C ATOM 231 C VAL A 13 5.760 -1.807 -4.130 1.00 0.00 C ATOM 232 O VAL A 13 5.930 -2.877 -4.705 1.00 0.00 O ATOM 233 CB VAL A 13 6.430 -2.024 -1.690 1.00 0.00 C ATOM 234 CG1 VAL A 13 7.060 -0.690 -1.332 1.00 0.00 C ATOM 235 CG2 VAL A 13 6.064 -2.754 -0.385 1.00 0.00 C ATOM 0 H VAL A 13 4.594 -3.732 -3.060 1.00 0.00 H new ATOM 0 HA VAL A 13 4.811 -0.850 -2.427 1.00 0.00 H new ATOM 0 HB VAL A 13 7.123 -2.676 -2.221 1.00 0.00 H new ATOM 0 HG11 VAL A 13 7.881 -0.851 -0.633 1.00 0.00 H new ATOM 0 HG12 VAL A 13 7.441 -0.213 -2.235 1.00 0.00 H new ATOM 0 HG13 VAL A 13 6.311 -0.046 -0.870 1.00 0.00 H new ATOM 0 HG21 VAL A 13 6.953 -2.853 0.238 1.00 0.00 H new ATOM 0 HG22 VAL A 13 5.306 -2.183 0.151 1.00 0.00 H new ATOM 0 HG23 VAL A 13 5.674 -3.744 -0.619 1.00 0.00 H new ATOM 245 N SER A 14 6.007 -0.644 -4.729 1.00 0.00 N ATOM 246 CA SER A 14 6.424 -0.503 -6.125 1.00 0.00 C ATOM 247 C SER A 14 7.506 0.554 -6.232 1.00 0.00 C ATOM 248 O SER A 14 7.220 1.739 -6.403 1.00 0.00 O ATOM 249 CB SER A 14 5.228 -0.074 -6.956 1.00 0.00 C ATOM 250 OG SER A 14 4.763 -1.098 -7.810 1.00 0.00 O ATOM 0 H SER A 14 5.921 0.250 -4.246 1.00 0.00 H new ATOM 0 HA SER A 14 6.811 -1.455 -6.487 1.00 0.00 H new ATOM 0 HB2 SER A 14 4.421 0.234 -6.292 1.00 0.00 H new ATOM 0 HB3 SER A 14 5.499 0.797 -7.553 1.00 0.00 H new ATOM 0 HG SER A 14 3.812 -1.259 -7.639 1.00 0.00 H new ATOM 256 N ILE A 15 8.750 0.137 -6.076 1.00 0.00 N ATOM 257 CA ILE A 15 9.906 1.004 -6.048 1.00 0.00 C ATOM 258 C ILE A 15 10.436 1.041 -7.477 1.00 0.00 C ATOM 259 O ILE A 15 11.246 0.207 -7.878 1.00 0.00 O ATOM 260 CB ILE A 15 10.922 0.488 -5.010 1.00 0.00 C ATOM 261 CG1 ILE A 15 10.258 0.184 -3.652 1.00 0.00 C ATOM 262 CG2 ILE A 15 12.051 1.512 -4.835 1.00 0.00 C ATOM 263 CD1 ILE A 15 10.110 -1.315 -3.376 1.00 0.00 C ATOM 0 H ILE A 15 8.987 -0.848 -5.962 1.00 0.00 H new ATOM 0 HA ILE A 15 9.675 2.021 -5.732 1.00 0.00 H new ATOM 0 HB ILE A 15 11.334 -0.449 -5.384 1.00 0.00 H new ATOM 0 HG12 ILE A 15 10.849 0.637 -2.856 1.00 0.00 H new ATOM 0 HG13 ILE A 15 9.274 0.651 -3.623 1.00 0.00 H new ATOM 0 HG21 ILE A 15 12.767 1.143 -4.100 1.00 0.00 H new ATOM 0 HG22 ILE A 15 12.556 1.663 -5.789 1.00 0.00 H new ATOM 0 HG23 ILE A 15 11.634 2.458 -4.491 1.00 0.00 H new ATOM 0 HD11 ILE A 15 9.636 -1.461 -2.405 1.00 0.00 H new ATOM 0 HD12 ILE A 15 9.494 -1.769 -4.153 1.00 0.00 H new ATOM 0 HD13 ILE A 15 11.094 -1.783 -3.373 1.00 0.00 H new ATOM 275 N GLU A 16 9.934 1.988 -8.267 1.00 0.00 N ATOM 276 CA GLU A 16 10.460 2.204 -9.615 1.00 0.00 C ATOM 277 C GLU A 16 11.866 2.780 -9.468 1.00 0.00 C ATOM 278 O GLU A 16 12.855 2.088 -9.719 1.00 0.00 O ATOM 279 CB GLU A 16 9.540 3.088 -10.480 1.00 0.00 C ATOM 280 CG GLU A 16 10.191 3.444 -11.836 1.00 0.00 C ATOM 281 CD GLU A 16 9.264 3.228 -13.033 1.00 0.00 C ATOM 282 OE1 GLU A 16 9.167 2.075 -13.514 1.00 0.00 O ATOM 283 OE2 GLU A 16 8.603 4.197 -13.469 1.00 0.00 O ATOM 0 H GLU A 16 9.172 2.612 -8.002 1.00 0.00 H new ATOM 0 HA GLU A 16 10.502 1.257 -10.153 1.00 0.00 H new ATOM 0 HB2 GLU A 16 8.598 2.569 -10.655 1.00 0.00 H new ATOM 0 HB3 GLU A 16 9.304 4.004 -9.939 1.00 0.00 H new ATOM 0 HG2 GLU A 16 10.508 4.487 -11.815 1.00 0.00 H new ATOM 0 HG3 GLU A 16 11.089 2.841 -11.968 1.00 0.00 H new ATOM 290 N ASP A 17 11.947 4.025 -9.002 1.00 0.00 N ATOM 291 CA ASP A 17 13.189 4.773 -8.835 1.00 0.00 C ATOM 292 C ASP A 17 13.418 4.877 -7.331 1.00 0.00 C ATOM 293 O ASP A 17 13.833 3.894 -6.713 1.00 0.00 O ATOM 294 CB ASP A 17 13.108 6.125 -9.581 1.00 0.00 C ATOM 295 CG ASP A 17 13.856 6.109 -10.913 1.00 0.00 C ATOM 296 OD1 ASP A 17 13.756 5.107 -11.661 1.00 0.00 O ATOM 297 OD2 ASP A 17 14.561 7.099 -11.218 1.00 0.00 O ATOM 0 H ASP A 17 11.123 4.557 -8.722 1.00 0.00 H new ATOM 0 HA ASP A 17 14.053 4.280 -9.281 1.00 0.00 H new ATOM 0 HB2 ASP A 17 12.062 6.375 -9.759 1.00 0.00 H new ATOM 0 HB3 ASP A 17 13.520 6.910 -8.947 1.00 0.00 H new ATOM 302 N LYS A 18 13.056 6.000 -6.707 1.00 0.00 N ATOM 303 CA LYS A 18 13.241 6.271 -5.278 1.00 0.00 C ATOM 304 C LYS A 18 11.904 6.578 -4.607 1.00 0.00 C ATOM 305 O LYS A 18 11.857 7.026 -3.462 1.00 0.00 O ATOM 306 CB LYS A 18 14.234 7.428 -5.086 1.00 0.00 C ATOM 307 CG LYS A 18 15.497 7.319 -5.961 1.00 0.00 C ATOM 308 CD LYS A 18 16.447 8.499 -5.728 1.00 0.00 C ATOM 309 CE LYS A 18 17.651 8.236 -4.815 1.00 0.00 C ATOM 310 NZ LYS A 18 17.349 7.524 -3.556 1.00 0.00 N ATOM 0 H LYS A 18 12.610 6.774 -7.200 1.00 0.00 H new ATOM 0 HA LYS A 18 13.653 5.381 -4.803 1.00 0.00 H new ATOM 0 HB2 LYS A 18 13.729 8.368 -5.310 1.00 0.00 H new ATOM 0 HB3 LYS A 18 14.532 7.468 -4.038 1.00 0.00 H new ATOM 0 HG2 LYS A 18 16.014 6.385 -5.740 1.00 0.00 H new ATOM 0 HG3 LYS A 18 15.210 7.284 -7.012 1.00 0.00 H new ATOM 0 HD2 LYS A 18 16.819 8.834 -6.696 1.00 0.00 H new ATOM 0 HD3 LYS A 18 15.871 9.323 -5.305 1.00 0.00 H new ATOM 0 HE2 LYS A 18 18.388 7.657 -5.372 1.00 0.00 H new ATOM 0 HE3 LYS A 18 18.115 9.191 -4.570 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 18.225 7.395 -3.011 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 16.672 8.081 -2.996 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 16.937 6.594 -3.773 1.00 0.00 H new ATOM 324 N VAL A 19 10.814 6.334 -5.325 1.00 0.00 N ATOM 325 CA VAL A 19 9.454 6.480 -4.871 1.00 0.00 C ATOM 326 C VAL A 19 8.866 5.081 -4.921 1.00 0.00 C ATOM 327 O VAL A 19 8.843 4.461 -5.989 1.00 0.00 O ATOM 328 CB VAL A 19 8.713 7.502 -5.750 1.00 0.00 C ATOM 329 CG1 VAL A 19 7.207 7.466 -5.498 1.00 0.00 C ATOM 330 CG2 VAL A 19 9.183 8.925 -5.425 1.00 0.00 C ATOM 0 H VAL A 19 10.869 6.012 -6.291 1.00 0.00 H new ATOM 0 HA VAL A 19 9.372 6.875 -3.858 1.00 0.00 H new ATOM 0 HB VAL A 19 8.929 7.240 -6.786 1.00 0.00 H new ATOM 0 HG11 VAL A 19 6.714 8.200 -6.135 1.00 0.00 H new ATOM 0 HG12 VAL A 19 6.824 6.472 -5.726 1.00 0.00 H new ATOM 0 HG13 VAL A 19 7.007 7.701 -4.452 1.00 0.00 H new ATOM 0 HG21 VAL A 19 8.650 9.637 -6.055 1.00 0.00 H new ATOM 0 HG22 VAL A 19 8.980 9.145 -4.377 1.00 0.00 H new ATOM 0 HG23 VAL A 19 10.254 9.006 -5.612 1.00 0.00 H new ATOM 340 N ALA A 20 8.429 4.582 -3.766 1.00 0.00 N ATOM 341 CA ALA A 20 7.612 3.391 -3.679 1.00 0.00 C ATOM 342 C ALA A 20 6.154 3.815 -3.691 1.00 0.00 C ATOM 343 O ALA A 20 5.728 4.622 -2.863 1.00 0.00 O ATOM 344 CB ALA A 20 7.943 2.596 -2.421 1.00 0.00 C ATOM 0 H ALA A 20 8.638 5.003 -2.861 1.00 0.00 H new ATOM 0 HA ALA A 20 7.812 2.739 -4.529 1.00 0.00 H new ATOM 0 HB1 ALA A 20 7.316 1.705 -2.378 1.00 0.00 H new ATOM 0 HB2 ALA A 20 8.992 2.301 -2.443 1.00 0.00 H new ATOM 0 HB3 ALA A 20 7.758 3.213 -1.542 1.00 0.00 H new ATOM 350 N THR A 21 5.392 3.267 -4.631 1.00 0.00 N ATOM 351 CA THR A 21 3.941 3.267 -4.551 1.00 0.00 C ATOM 352 C THR A 21 3.515 2.198 -3.544 1.00 0.00 C ATOM 353 O THR A 21 3.983 1.062 -3.638 1.00 0.00 O ATOM 354 CB THR A 21 3.350 3.049 -5.957 1.00 0.00 C ATOM 355 OG1 THR A 21 3.844 3.985 -6.903 1.00 0.00 O ATOM 356 CG2 THR A 21 1.835 3.190 -5.939 1.00 0.00 C ATOM 0 H THR A 21 5.763 2.813 -5.465 1.00 0.00 H new ATOM 0 HA THR A 21 3.558 4.225 -4.199 1.00 0.00 H new ATOM 0 HB THR A 21 3.648 2.042 -6.248 1.00 0.00 H new ATOM 0 HG1 THR A 21 3.443 3.807 -7.779 1.00 0.00 H new ATOM 0 HG21 THR A 21 1.443 3.032 -6.944 1.00 0.00 H new ATOM 0 HG22 THR A 21 1.409 2.450 -5.262 1.00 0.00 H new ATOM 0 HG23 THR A 21 1.567 4.190 -5.598 1.00 0.00 H new ATOM 364 N VAL A 22 2.675 2.578 -2.580 1.00 0.00 N ATOM 365 CA VAL A 22 1.939 1.698 -1.681 1.00 0.00 C ATOM 366 C VAL A 22 0.493 1.603 -2.188 1.00 0.00 C ATOM 367 O VAL A 22 -0.133 2.625 -2.470 1.00 0.00 O ATOM 368 CB VAL A 22 1.976 2.287 -0.250 1.00 0.00 C ATOM 369 CG1 VAL A 22 1.334 1.336 0.771 1.00 0.00 C ATOM 370 CG2 VAL A 22 3.414 2.615 0.192 1.00 0.00 C ATOM 0 H VAL A 22 2.482 3.563 -2.398 1.00 0.00 H new ATOM 0 HA VAL A 22 2.384 0.703 -1.657 1.00 0.00 H new ATOM 0 HB VAL A 22 1.398 3.211 -0.282 1.00 0.00 H new ATOM 0 HG11 VAL A 22 1.379 1.784 1.764 1.00 0.00 H new ATOM 0 HG12 VAL A 22 0.293 1.159 0.499 1.00 0.00 H new ATOM 0 HG13 VAL A 22 1.874 0.389 0.776 1.00 0.00 H new ATOM 0 HG21 VAL A 22 3.400 3.026 1.201 1.00 0.00 H new ATOM 0 HG22 VAL A 22 4.015 1.706 0.179 1.00 0.00 H new ATOM 0 HG23 VAL A 22 3.847 3.346 -0.491 1.00 0.00 H new ATOM 380 N GLY A 23 -0.070 0.398 -2.238 1.00 0.00 N ATOM 381 CA GLY A 23 -1.504 0.141 -2.341 1.00 0.00 C ATOM 382 C GLY A 23 -1.815 -1.150 -1.584 1.00 0.00 C ATOM 383 O GLY A 23 -0.884 -1.851 -1.166 1.00 0.00 O ATOM 0 H GLY A 23 0.482 -0.459 -2.207 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -2.070 0.973 -1.922 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -1.799 0.049 -3.386 1.00 0.00 H new ATOM 387 N ILE A 24 -3.096 -1.496 -1.407 1.00 0.00 N ATOM 388 CA ILE A 24 -3.455 -2.817 -0.894 1.00 0.00 C ATOM 389 C ILE A 24 -3.593 -3.789 -2.056 1.00 0.00 C ATOM 390 O ILE A 24 -3.894 -3.417 -3.182 1.00 0.00 O ATOM 391 CB ILE A 24 -4.665 -2.839 0.059 1.00 0.00 C ATOM 392 CG1 ILE A 24 -5.902 -2.102 -0.459 1.00 0.00 C ATOM 393 CG2 ILE A 24 -4.241 -2.290 1.425 1.00 0.00 C ATOM 394 CD1 ILE A 24 -7.210 -2.653 0.139 1.00 0.00 C ATOM 0 H ILE A 24 -3.889 -0.887 -1.609 1.00 0.00 H new ATOM 0 HA ILE A 24 -2.637 -3.142 -0.251 1.00 0.00 H new ATOM 0 HB ILE A 24 -4.975 -3.881 0.139 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -5.816 -1.042 -0.221 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -5.941 -2.183 -1.545 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -5.094 -2.303 2.103 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -3.442 -2.909 1.834 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -3.884 -1.266 1.311 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -8.056 -2.095 -0.261 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -7.314 -3.706 -0.121 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -7.187 -2.548 1.224 1.00 0.00 H new ATOM 406 N THR A 25 -3.281 -5.047 -1.789 1.00 0.00 N ATOM 407 CA THR A 25 -3.361 -6.130 -2.758 1.00 0.00 C ATOM 408 C THR A 25 -4.811 -6.576 -2.962 1.00 0.00 C ATOM 409 O THR A 25 -5.707 -6.265 -2.168 1.00 0.00 O ATOM 410 CB THR A 25 -2.499 -7.301 -2.266 1.00 0.00 C ATOM 411 OG1 THR A 25 -2.886 -7.725 -0.968 1.00 0.00 O ATOM 412 CG2 THR A 25 -1.021 -6.916 -2.212 1.00 0.00 C ATOM 0 H THR A 25 -2.957 -5.351 -0.871 1.00 0.00 H new ATOM 0 HA THR A 25 -2.988 -5.780 -3.720 1.00 0.00 H new ATOM 0 HB THR A 25 -2.649 -8.112 -2.979 1.00 0.00 H new ATOM 0 HG1 THR A 25 -2.527 -7.104 -0.300 1.00 0.00 H new ATOM 0 HG21 THR A 25 -0.436 -7.766 -1.860 1.00 0.00 H new ATOM 0 HG22 THR A 25 -0.683 -6.631 -3.208 1.00 0.00 H new ATOM 0 HG23 THR A 25 -0.888 -6.077 -1.529 1.00 0.00 H new ATOM 420 N ASN A 26 -5.028 -7.409 -3.979 1.00 0.00 N ATOM 421 CA ASN A 26 -6.312 -8.042 -4.260 1.00 0.00 C ATOM 422 C ASN A 26 -6.870 -8.777 -3.030 1.00 0.00 C ATOM 423 O ASN A 26 -8.062 -8.687 -2.743 1.00 0.00 O ATOM 424 CB ASN A 26 -6.176 -8.961 -5.486 1.00 0.00 C ATOM 425 CG ASN A 26 -6.632 -10.394 -5.226 1.00 0.00 C ATOM 426 OD1 ASN A 26 -5.863 -11.218 -4.731 1.00 0.00 O ATOM 427 ND2 ASN A 26 -7.895 -10.677 -5.482 1.00 0.00 N ATOM 0 H ASN A 26 -4.299 -7.667 -4.644 1.00 0.00 H new ATOM 0 HA ASN A 26 -7.043 -7.268 -4.496 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -6.759 -8.546 -6.308 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -5.135 -8.972 -5.808 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -8.263 -11.604 -5.269 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -8.503 -9.969 -5.893 1.00 0.00 H new ATOM 434 N HIS A 27 -6.020 -9.459 -2.260 1.00 0.00 N ATOM 435 CA HIS A 27 -6.459 -10.223 -1.079 1.00 0.00 C ATOM 436 C HIS A 27 -7.162 -9.353 -0.023 1.00 0.00 C ATOM 437 O HIS A 27 -7.867 -9.865 0.848 1.00 0.00 O ATOM 438 CB HIS A 27 -5.284 -10.976 -0.444 1.00 0.00 C ATOM 439 CG HIS A 27 -5.724 -12.028 0.552 1.00 0.00 C ATOM 440 ND1 HIS A 27 -6.006 -13.352 0.261 1.00 0.00 N ATOM 441 CD2 HIS A 27 -5.888 -11.845 1.899 1.00 0.00 C ATOM 442 CE1 HIS A 27 -6.264 -13.976 1.427 1.00 0.00 C ATOM 443 NE2 HIS A 27 -6.173 -13.089 2.437 1.00 0.00 N ATOM 0 H HIS A 27 -5.015 -9.501 -2.431 1.00 0.00 H new ATOM 0 HA HIS A 27 -7.195 -10.941 -1.441 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -4.697 -11.451 -1.230 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -4.629 -10.262 0.056 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -5.810 -10.912 2.437 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -6.506 -15.023 1.535 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -6.293 -13.298 3.428 1.00 0.00 H new ATOM 452 N ALA A 28 -6.979 -8.035 -0.070 1.00 0.00 N ATOM 453 CA ALA A 28 -7.645 -7.116 0.832 1.00 0.00 C ATOM 454 C ALA A 28 -9.045 -6.756 0.322 1.00 0.00 C ATOM 455 O ALA A 28 -10.016 -6.915 1.069 1.00 0.00 O ATOM 456 CB ALA A 28 -6.739 -5.911 0.999 1.00 0.00 C ATOM 0 H ALA A 28 -6.360 -7.579 -0.740 1.00 0.00 H new ATOM 0 HA ALA A 28 -7.811 -7.573 1.808 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -7.208 -5.194 1.673 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -5.783 -6.229 1.415 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -6.574 -5.442 0.029 1.00 0.00 H new ATOM 462 N GLN A 29 -9.180 -6.333 -0.946 1.00 0.00 N ATOM 463 CA GLN A 29 -10.498 -6.086 -1.542 1.00 0.00 C ATOM 464 C GLN A 29 -11.355 -7.360 -1.565 1.00 0.00 C ATOM 465 O GLN A 29 -12.578 -7.285 -1.540 1.00 0.00 O ATOM 466 CB GLN A 29 -10.360 -5.396 -2.912 1.00 0.00 C ATOM 467 CG GLN A 29 -9.584 -6.104 -4.022 1.00 0.00 C ATOM 468 CD GLN A 29 -10.380 -7.144 -4.808 1.00 0.00 C ATOM 469 OE1 GLN A 29 -11.138 -6.829 -5.709 1.00 0.00 O ATOM 470 NE2 GLN A 29 -10.192 -8.419 -4.538 1.00 0.00 N ATOM 0 H GLN A 29 -8.395 -6.156 -1.573 1.00 0.00 H new ATOM 0 HA GLN A 29 -11.044 -5.387 -0.909 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -11.365 -5.202 -3.286 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -9.888 -4.427 -2.747 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -9.210 -5.353 -4.718 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -8.714 -6.592 -3.582 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -9.560 -8.693 -3.786 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -10.679 -9.132 -5.081 1.00 0.00 H new ATOM 479 N GLU A 30 -10.724 -8.533 -1.491 1.00 0.00 N ATOM 480 CA GLU A 30 -11.338 -9.852 -1.391 1.00 0.00 C ATOM 481 C GLU A 30 -12.196 -10.039 -0.136 1.00 0.00 C ATOM 482 O GLU A 30 -12.973 -10.989 -0.080 1.00 0.00 O ATOM 483 CB GLU A 30 -10.207 -10.888 -1.388 1.00 0.00 C ATOM 484 CG GLU A 30 -10.090 -11.636 -2.709 1.00 0.00 C ATOM 485 CD GLU A 30 -11.220 -12.643 -2.887 1.00 0.00 C ATOM 486 OE1 GLU A 30 -11.247 -13.639 -2.123 1.00 0.00 O ATOM 487 OE2 GLU A 30 -12.021 -12.484 -3.825 1.00 0.00 O ATOM 0 H GLU A 30 -9.705 -8.587 -1.500 1.00 0.00 H new ATOM 0 HA GLU A 30 -12.012 -9.972 -2.239 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -9.263 -10.388 -1.174 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -10.378 -11.604 -0.584 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -10.104 -10.923 -3.534 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -9.131 -12.153 -2.751 1.00 0.00 H new ATOM 494 N GLN A 31 -12.055 -9.175 0.873 1.00 0.00 N ATOM 495 CA GLN A 31 -12.880 -9.209 2.071 1.00 0.00 C ATOM 496 C GLN A 31 -13.775 -7.983 2.121 1.00 0.00 C ATOM 497 O GLN A 31 -14.983 -8.126 2.309 1.00 0.00 O ATOM 498 CB GLN A 31 -12.015 -9.269 3.331 1.00 0.00 C ATOM 499 CG GLN A 31 -11.166 -10.542 3.419 1.00 0.00 C ATOM 500 CD GLN A 31 -10.503 -10.681 4.786 1.00 0.00 C ATOM 501 OE1 GLN A 31 -10.941 -10.125 5.786 1.00 0.00 O ATOM 502 NE2 GLN A 31 -9.361 -11.338 4.844 1.00 0.00 N ATOM 0 H GLN A 31 -11.359 -8.429 0.876 1.00 0.00 H new ATOM 0 HA GLN A 31 -13.497 -10.107 2.033 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -11.358 -8.399 3.355 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -12.658 -9.207 4.209 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -11.794 -11.413 3.228 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -10.401 -10.524 2.643 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -8.996 -11.801 4.012 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -8.843 -11.383 5.721 1.00 0.00 H new ATOM 511 N LEU A 32 -13.191 -6.784 1.964 1.00 0.00 N ATOM 512 CA LEU A 32 -13.960 -5.552 2.129 1.00 0.00 C ATOM 513 C LEU A 32 -15.036 -5.443 1.053 1.00 0.00 C ATOM 514 O LEU A 32 -16.135 -4.980 1.359 1.00 0.00 O ATOM 515 CB LEU A 32 -13.081 -4.289 2.096 1.00 0.00 C ATOM 516 CG LEU A 32 -12.024 -4.113 3.208 1.00 0.00 C ATOM 517 CD1 LEU A 32 -11.714 -2.622 3.406 1.00 0.00 C ATOM 518 CD2 LEU A 32 -12.440 -4.691 4.566 1.00 0.00 C ATOM 0 H LEU A 32 -12.208 -6.648 1.728 1.00 0.00 H new ATOM 0 HA LEU A 32 -14.420 -5.610 3.115 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -12.564 -4.267 1.137 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -13.741 -3.422 2.122 1.00 0.00 H new ATOM 0 HG LEU A 32 -11.151 -4.669 2.867 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -10.968 -2.507 4.192 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -11.329 -2.204 2.476 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -12.625 -2.096 3.691 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -11.643 -4.526 5.291 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -13.350 -4.198 4.908 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -12.623 -5.761 4.465 1.00 0.00 H new ATOM 530 N GLY A 33 -14.719 -5.900 -0.163 1.00 0.00 N ATOM 531 CA GLY A 33 -15.557 -5.804 -1.337 1.00 0.00 C ATOM 532 C GLY A 33 -15.727 -4.355 -1.734 1.00 0.00 C ATOM 533 O GLY A 33 -14.736 -3.646 -1.936 1.00 0.00 O ATOM 0 H GLY A 33 -13.831 -6.365 -0.352 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -15.112 -6.365 -2.159 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -16.531 -6.251 -1.137 1.00 0.00 H new ATOM 537 N ASP A 34 -16.981 -3.941 -1.848 1.00 0.00 N ATOM 538 CA ASP A 34 -17.376 -2.589 -2.176 1.00 0.00 C ATOM 539 C ASP A 34 -16.888 -1.702 -1.036 1.00 0.00 C ATOM 540 O ASP A 34 -17.314 -1.830 0.112 1.00 0.00 O ATOM 541 CB ASP A 34 -18.899 -2.507 -2.357 1.00 0.00 C ATOM 542 CG ASP A 34 -19.389 -3.126 -3.670 1.00 0.00 C ATOM 543 OD1 ASP A 34 -19.122 -4.323 -3.926 1.00 0.00 O ATOM 544 OD2 ASP A 34 -20.064 -2.411 -4.447 1.00 0.00 O ATOM 0 H ASP A 34 -17.776 -4.564 -1.708 1.00 0.00 H new ATOM 0 HA ASP A 34 -16.938 -2.259 -3.118 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -19.385 -3.012 -1.522 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -19.206 -1.462 -2.319 1.00 0.00 H new ATOM 549 N VAL A 35 -15.930 -0.830 -1.317 1.00 0.00 N ATOM 550 CA VAL A 35 -15.542 0.231 -0.407 1.00 0.00 C ATOM 551 C VAL A 35 -16.444 1.446 -0.683 1.00 0.00 C ATOM 552 O VAL A 35 -17.547 1.335 -1.219 1.00 0.00 O ATOM 553 CB VAL A 35 -14.029 0.493 -0.486 1.00 0.00 C ATOM 554 CG1 VAL A 35 -13.516 1.238 0.758 1.00 0.00 C ATOM 555 CG2 VAL A 35 -13.207 -0.795 -0.516 1.00 0.00 C ATOM 0 H VAL A 35 -15.399 -0.841 -2.188 1.00 0.00 H new ATOM 0 HA VAL A 35 -15.700 -0.047 0.635 1.00 0.00 H new ATOM 0 HB VAL A 35 -13.906 1.070 -1.403 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -12.443 1.405 0.665 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -14.026 2.197 0.844 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -13.715 0.640 1.648 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -12.147 -0.549 -0.572 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -13.399 -1.370 0.390 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -13.489 -1.386 -1.387 1.00 0.00 H new ATOM 565 N VAL A 36 -16.040 2.608 -0.192 1.00 0.00 N ATOM 566 CA VAL A 36 -16.886 3.732 0.153 1.00 0.00 C ATOM 567 C VAL A 36 -15.968 4.890 0.511 1.00 0.00 C ATOM 568 O VAL A 36 -16.265 6.017 0.129 1.00 0.00 O ATOM 569 CB VAL A 36 -17.793 3.326 1.337 1.00 0.00 C ATOM 570 CG1 VAL A 36 -17.185 3.425 2.723 1.00 0.00 C ATOM 571 CG2 VAL A 36 -19.171 3.975 1.309 1.00 0.00 C ATOM 0 H VAL A 36 -15.054 2.799 -0.015 1.00 0.00 H new ATOM 0 HA VAL A 36 -17.535 4.031 -0.671 1.00 0.00 H new ATOM 0 HB VAL A 36 -17.911 2.258 1.154 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -17.920 3.113 3.466 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -16.310 2.777 2.784 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -16.888 4.456 2.917 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -19.748 3.641 2.171 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -19.063 5.059 1.342 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -19.689 3.690 0.393 1.00 0.00 H new ATOM 581 N TYR A 37 -14.852 4.611 1.203 1.00 0.00 N ATOM 582 CA TYR A 37 -13.953 5.672 1.645 1.00 0.00 C ATOM 583 C TYR A 37 -12.533 5.162 1.821 1.00 0.00 C ATOM 584 O TYR A 37 -12.318 3.998 2.152 1.00 0.00 O ATOM 585 CB TYR A 37 -14.447 6.232 2.985 1.00 0.00 C ATOM 586 CG TYR A 37 -13.627 7.425 3.471 1.00 0.00 C ATOM 587 CD1 TYR A 37 -13.695 8.652 2.783 1.00 0.00 C ATOM 588 CD2 TYR A 37 -12.730 7.292 4.552 1.00 0.00 C ATOM 589 CE1 TYR A 37 -12.921 9.754 3.195 1.00 0.00 C ATOM 590 CE2 TYR A 37 -11.926 8.380 4.947 1.00 0.00 C ATOM 591 CZ TYR A 37 -12.033 9.624 4.284 1.00 0.00 C ATOM 592 OH TYR A 37 -11.345 10.707 4.748 1.00 0.00 O ATOM 0 H TYR A 37 -14.559 3.669 1.463 1.00 0.00 H new ATOM 0 HA TYR A 37 -13.949 6.449 0.881 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -15.490 6.532 2.885 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -14.412 5.444 3.737 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -14.349 8.749 1.929 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -12.659 6.352 5.079 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -13.007 10.698 2.678 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -11.225 8.263 5.760 1.00 0.00 H new ATOM 0 HH TYR A 37 -10.780 10.437 5.502 1.00 0.00 H new ATOM 602 N VAL A 38 -11.563 6.055 1.662 1.00 0.00 N ATOM 603 CA VAL A 38 -10.170 5.805 1.964 1.00 0.00 C ATOM 604 C VAL A 38 -9.619 7.052 2.630 1.00 0.00 C ATOM 605 O VAL A 38 -9.772 8.170 2.128 1.00 0.00 O ATOM 606 CB VAL A 38 -9.417 5.408 0.678 1.00 0.00 C ATOM 607 CG1 VAL A 38 -7.919 5.289 0.940 1.00 0.00 C ATOM 608 CG2 VAL A 38 -9.933 4.160 -0.068 1.00 0.00 C ATOM 0 H VAL A 38 -11.735 6.997 1.310 1.00 0.00 H new ATOM 0 HA VAL A 38 -10.044 4.967 2.650 1.00 0.00 H new ATOM 0 HB VAL A 38 -9.625 6.232 -0.005 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -7.410 5.008 0.018 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -7.534 6.247 1.290 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -7.742 4.527 1.699 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -9.321 3.986 -0.953 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -9.874 3.293 0.590 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -10.969 4.318 -0.368 1.00 0.00 H new ATOM 618 N ASP A 39 -8.982 6.842 3.777 1.00 0.00 N ATOM 619 CA ASP A 39 -8.154 7.834 4.409 1.00 0.00 C ATOM 620 C ASP A 39 -6.857 7.980 3.610 1.00 0.00 C ATOM 621 O ASP A 39 -6.263 6.969 3.231 1.00 0.00 O ATOM 622 CB ASP A 39 -7.850 7.495 5.881 1.00 0.00 C ATOM 623 CG ASP A 39 -6.885 8.538 6.449 1.00 0.00 C ATOM 624 OD1 ASP A 39 -7.183 9.749 6.319 1.00 0.00 O ATOM 625 OD2 ASP A 39 -5.840 8.177 7.036 1.00 0.00 O ATOM 0 H ASP A 39 -9.034 5.963 4.292 1.00 0.00 H new ATOM 0 HA ASP A 39 -8.698 8.778 4.416 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -8.772 7.481 6.461 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -7.413 6.499 5.954 1.00 0.00 H new ATOM 630 N LEU A 40 -6.404 9.207 3.339 1.00 0.00 N ATOM 631 CA LEU A 40 -5.160 9.460 2.615 1.00 0.00 C ATOM 632 C LEU A 40 -4.307 10.447 3.415 1.00 0.00 C ATOM 633 O LEU A 40 -4.856 11.402 3.972 1.00 0.00 O ATOM 634 CB LEU A 40 -5.430 10.017 1.211 1.00 0.00 C ATOM 635 CG LEU A 40 -6.216 9.071 0.284 1.00 0.00 C ATOM 636 CD1 LEU A 40 -6.664 9.832 -0.965 1.00 0.00 C ATOM 637 CD2 LEU A 40 -5.356 7.876 -0.133 1.00 0.00 C ATOM 0 H LEU A 40 -6.895 10.056 3.618 1.00 0.00 H new ATOM 0 HA LEU A 40 -4.629 8.516 2.498 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -5.982 10.952 1.306 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -4.476 10.256 0.740 1.00 0.00 H new ATOM 0 HG LEU A 40 -7.086 8.702 0.828 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -7.220 9.161 -1.620 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -7.302 10.666 -0.673 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -5.789 10.212 -1.493 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -5.933 7.223 -0.787 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -4.472 8.231 -0.663 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -5.049 7.322 0.754 1.00 0.00 H new ATOM 649 N PRO A 41 -2.983 10.235 3.501 1.00 0.00 N ATOM 650 CA PRO A 41 -2.083 11.085 4.270 1.00 0.00 C ATOM 651 C PRO A 41 -1.803 12.447 3.612 1.00 0.00 C ATOM 652 O PRO A 41 -2.283 12.759 2.523 1.00 0.00 O ATOM 653 CB PRO A 41 -0.808 10.258 4.475 1.00 0.00 C ATOM 654 CG PRO A 41 -0.852 9.140 3.430 1.00 0.00 C ATOM 655 CD PRO A 41 -2.288 9.097 2.928 1.00 0.00 C ATOM 0 HA PRO A 41 -2.541 11.359 5.220 1.00 0.00 H new ATOM 0 HB2 PRO A 41 0.081 10.875 4.347 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -0.769 9.847 5.484 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -0.158 9.341 2.614 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -0.562 8.185 3.867 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -2.315 9.139 1.839 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -2.770 8.165 3.223 1.00 0.00 H new ATOM 663 N GLU A 42 -0.996 13.272 4.286 1.00 0.00 N ATOM 664 CA GLU A 42 -0.434 14.503 3.733 1.00 0.00 C ATOM 665 C GLU A 42 0.872 14.198 2.985 1.00 0.00 C ATOM 666 O GLU A 42 1.455 13.132 3.168 1.00 0.00 O ATOM 667 CB GLU A 42 -0.200 15.503 4.878 1.00 0.00 C ATOM 668 CG GLU A 42 -0.373 16.956 4.417 1.00 0.00 C ATOM 669 CD GLU A 42 0.949 17.689 4.235 1.00 0.00 C ATOM 670 OE1 GLU A 42 1.537 18.114 5.261 1.00 0.00 O ATOM 671 OE2 GLU A 42 1.359 17.802 3.065 1.00 0.00 O ATOM 0 H GLU A 42 -0.711 13.097 5.250 1.00 0.00 H new ATOM 0 HA GLU A 42 -1.129 14.942 3.018 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -0.897 15.295 5.689 1.00 0.00 H new ATOM 0 HB3 GLU A 42 0.805 15.367 5.278 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -0.921 16.969 3.475 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -0.981 17.492 5.146 1.00 0.00 H new ATOM 678 N VAL A 43 1.385 15.141 2.193 1.00 0.00 N ATOM 679 CA VAL A 43 2.395 14.906 1.143 1.00 0.00 C ATOM 680 C VAL A 43 3.831 15.247 1.606 1.00 0.00 C ATOM 681 O VAL A 43 4.768 15.486 0.848 1.00 0.00 O ATOM 682 CB VAL A 43 1.902 15.606 -0.137 1.00 0.00 C ATOM 683 CG1 VAL A 43 2.331 17.068 -0.251 1.00 0.00 C ATOM 684 CG2 VAL A 43 2.376 14.843 -1.360 1.00 0.00 C ATOM 0 H VAL A 43 1.106 16.120 2.261 1.00 0.00 H new ATOM 0 HA VAL A 43 2.492 13.845 0.914 1.00 0.00 H new ATOM 0 HB VAL A 43 0.814 15.607 -0.078 1.00 0.00 H new ATOM 0 HG11 VAL A 43 1.944 17.489 -1.179 1.00 0.00 H new ATOM 0 HG12 VAL A 43 1.936 17.630 0.595 1.00 0.00 H new ATOM 0 HG13 VAL A 43 3.419 17.129 -0.250 1.00 0.00 H new ATOM 0 HG21 VAL A 43 2.023 15.345 -2.261 1.00 0.00 H new ATOM 0 HG22 VAL A 43 3.465 14.808 -1.367 1.00 0.00 H new ATOM 0 HG23 VAL A 43 1.980 13.828 -1.331 1.00 0.00 H new ATOM 694 N GLY A 44 3.979 15.249 2.916 1.00 0.00 N ATOM 695 CA GLY A 44 5.157 15.569 3.710 1.00 0.00 C ATOM 696 C GLY A 44 5.126 14.855 5.065 1.00 0.00 C ATOM 697 O GLY A 44 5.904 15.177 5.966 1.00 0.00 O ATOM 0 H GLY A 44 3.194 15.000 3.518 1.00 0.00 H new ATOM 0 HA2 GLY A 44 6.055 15.280 3.165 1.00 0.00 H new ATOM 0 HA3 GLY A 44 5.212 16.646 3.865 1.00 0.00 H new ATOM 701 N ARG A 45 4.205 13.904 5.255 1.00 0.00 N ATOM 702 CA ARG A 45 4.076 13.126 6.480 1.00 0.00 C ATOM 703 C ARG A 45 5.176 12.068 6.492 1.00 0.00 C ATOM 704 O ARG A 45 5.350 11.383 5.486 1.00 0.00 O ATOM 705 CB ARG A 45 2.674 12.501 6.498 1.00 0.00 C ATOM 706 CG ARG A 45 2.356 11.853 7.847 1.00 0.00 C ATOM 707 CD ARG A 45 0.941 11.272 7.843 1.00 0.00 C ATOM 708 NE ARG A 45 0.622 10.725 9.166 1.00 0.00 N ATOM 709 CZ ARG A 45 -0.570 10.481 9.721 1.00 0.00 C ATOM 710 NH1 ARG A 45 -1.720 10.634 9.067 1.00 0.00 N ATOM 711 NH2 ARG A 45 -0.560 10.061 10.975 1.00 0.00 N ATOM 0 H ARG A 45 3.518 13.653 4.544 1.00 0.00 H new ATOM 0 HA ARG A 45 4.189 13.741 7.372 1.00 0.00 H new ATOM 0 HB2 ARG A 45 1.931 13.269 6.280 1.00 0.00 H new ATOM 0 HB3 ARG A 45 2.600 11.752 5.709 1.00 0.00 H new ATOM 0 HG2 ARG A 45 3.078 11.064 8.057 1.00 0.00 H new ATOM 0 HG3 ARG A 45 2.450 12.592 8.643 1.00 0.00 H new ATOM 0 HD2 ARG A 45 0.221 12.046 7.577 1.00 0.00 H new ATOM 0 HD3 ARG A 45 0.862 10.490 7.088 1.00 0.00 H new ATOM 0 HE ARG A 45 1.428 10.497 9.748 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -1.717 10.951 8.097 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -2.604 10.434 9.536 1.00 0.00 H new ATOM 0 HH21 ARG A 45 0.326 9.940 11.465 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -1.439 9.858 11.452 1.00 0.00 H new ATOM 725 N GLU A 46 5.907 11.902 7.589 1.00 0.00 N ATOM 726 CA GLU A 46 6.864 10.801 7.708 1.00 0.00 C ATOM 727 C GLU A 46 6.114 9.574 8.226 1.00 0.00 C ATOM 728 O GLU A 46 5.236 9.692 9.092 1.00 0.00 O ATOM 729 CB GLU A 46 8.019 11.150 8.663 1.00 0.00 C ATOM 730 CG GLU A 46 9.243 11.618 7.867 1.00 0.00 C ATOM 731 CD GLU A 46 10.531 11.601 8.693 1.00 0.00 C ATOM 732 OE1 GLU A 46 11.053 10.489 8.946 1.00 0.00 O ATOM 733 OE2 GLU A 46 11.028 12.704 9.016 1.00 0.00 O ATOM 0 H GLU A 46 5.858 12.511 8.406 1.00 0.00 H new ATOM 0 HA GLU A 46 7.303 10.605 6.730 1.00 0.00 H new ATOM 0 HB2 GLU A 46 7.705 11.932 9.354 1.00 0.00 H new ATOM 0 HB3 GLU A 46 8.279 10.279 9.264 1.00 0.00 H new ATOM 0 HG2 GLU A 46 9.369 10.978 6.994 1.00 0.00 H new ATOM 0 HG3 GLU A 46 9.066 12.629 7.499 1.00 0.00 H new ATOM 740 N VAL A 47 6.503 8.383 7.775 1.00 0.00 N ATOM 741 CA VAL A 47 5.917 7.100 8.151 1.00 0.00 C ATOM 742 C VAL A 47 7.020 6.109 8.525 1.00 0.00 C ATOM 743 O VAL A 47 8.193 6.301 8.192 1.00 0.00 O ATOM 744 CB VAL A 47 4.996 6.572 7.031 1.00 0.00 C ATOM 745 CG1 VAL A 47 3.880 7.589 6.766 1.00 0.00 C ATOM 746 CG2 VAL A 47 5.719 6.257 5.713 1.00 0.00 C ATOM 0 H VAL A 47 7.269 8.283 7.109 1.00 0.00 H new ATOM 0 HA VAL A 47 5.290 7.233 9.032 1.00 0.00 H new ATOM 0 HB VAL A 47 4.594 5.625 7.392 1.00 0.00 H new ATOM 0 HG11 VAL A 47 3.229 7.217 5.975 1.00 0.00 H new ATOM 0 HG12 VAL A 47 3.298 7.736 7.676 1.00 0.00 H new ATOM 0 HG13 VAL A 47 4.318 8.538 6.458 1.00 0.00 H new ATOM 0 HG21 VAL A 47 4.999 5.892 4.981 1.00 0.00 H new ATOM 0 HG22 VAL A 47 6.195 7.161 5.334 1.00 0.00 H new ATOM 0 HG23 VAL A 47 6.477 5.494 5.887 1.00 0.00 H new ATOM 756 N LYS A 48 6.629 5.023 9.191 1.00 0.00 N ATOM 757 CA LYS A 48 7.448 3.866 9.495 1.00 0.00 C ATOM 758 C LYS A 48 6.856 2.661 8.788 1.00 0.00 C ATOM 759 O LYS A 48 5.693 2.702 8.399 1.00 0.00 O ATOM 760 CB LYS A 48 7.430 3.605 10.997 1.00 0.00 C ATOM 761 CG LYS A 48 8.072 4.743 11.791 1.00 0.00 C ATOM 762 CD LYS A 48 8.158 4.385 13.271 1.00 0.00 C ATOM 763 CE LYS A 48 6.769 4.399 13.909 1.00 0.00 C ATOM 764 NZ LYS A 48 6.821 4.121 15.353 1.00 0.00 N ATOM 0 H LYS A 48 5.679 4.929 9.550 1.00 0.00 H new ATOM 0 HA LYS A 48 8.472 4.043 9.167 1.00 0.00 H new ATOM 0 HB2 LYS A 48 6.400 3.470 11.328 1.00 0.00 H new ATOM 0 HB3 LYS A 48 7.957 2.675 11.208 1.00 0.00 H new ATOM 0 HG2 LYS A 48 9.070 4.947 11.402 1.00 0.00 H new ATOM 0 HG3 LYS A 48 7.489 5.655 11.666 1.00 0.00 H new ATOM 0 HD2 LYS A 48 8.607 3.399 13.387 1.00 0.00 H new ATOM 0 HD3 LYS A 48 8.807 5.094 13.785 1.00 0.00 H new ATOM 0 HE2 LYS A 48 6.304 5.371 13.744 1.00 0.00 H new ATOM 0 HE3 LYS A 48 6.138 3.657 13.420 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 5.858 4.140 15.745 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 7.241 3.183 15.511 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 7.401 4.844 15.825 1.00 0.00 H new ATOM 778 N LYS A 49 7.589 1.553 8.790 1.00 0.00 N ATOM 779 CA LYS A 49 7.247 0.219 8.287 1.00 0.00 C ATOM 780 C LYS A 49 5.995 -0.459 8.846 1.00 0.00 C ATOM 781 O LYS A 49 5.837 -1.676 8.703 1.00 0.00 O ATOM 782 CB LYS A 49 8.457 -0.681 8.568 1.00 0.00 C ATOM 783 CG LYS A 49 8.664 -0.882 10.088 1.00 0.00 C ATOM 784 CD LYS A 49 9.854 -1.767 10.442 1.00 0.00 C ATOM 785 CE LYS A 49 9.522 -3.263 10.406 1.00 0.00 C ATOM 786 NZ LYS A 49 10.639 -4.040 10.968 1.00 0.00 N ATOM 0 H LYS A 49 8.531 1.563 9.182 1.00 0.00 H new ATOM 0 HA LYS A 49 7.006 0.361 7.233 1.00 0.00 H new ATOM 0 HB2 LYS A 49 8.313 -1.648 8.087 1.00 0.00 H new ATOM 0 HB3 LYS A 49 9.352 -0.238 8.132 1.00 0.00 H new ATOM 0 HG2 LYS A 49 8.797 0.093 10.558 1.00 0.00 H new ATOM 0 HG3 LYS A 49 7.760 -1.320 10.512 1.00 0.00 H new ATOM 0 HD2 LYS A 49 10.669 -1.565 9.747 1.00 0.00 H new ATOM 0 HD3 LYS A 49 10.211 -1.504 11.438 1.00 0.00 H new ATOM 0 HE2 LYS A 49 8.612 -3.456 10.974 1.00 0.00 H new ATOM 0 HE3 LYS A 49 9.330 -3.577 9.380 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 10.379 -5.046 11.003 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 11.481 -3.920 10.369 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 10.847 -3.703 11.930 1.00 0.00 H new ATOM 800 N GLY A 50 5.142 0.272 9.542 1.00 0.00 N ATOM 801 CA GLY A 50 3.803 -0.179 9.853 1.00 0.00 C ATOM 802 C GLY A 50 2.873 0.969 10.229 1.00 0.00 C ATOM 803 O GLY A 50 2.048 0.794 11.123 1.00 0.00 O ATOM 0 H GLY A 50 5.363 1.198 9.907 1.00 0.00 H new ATOM 0 HA2 GLY A 50 3.392 -0.708 8.993 1.00 0.00 H new ATOM 0 HA3 GLY A 50 3.845 -0.893 10.676 1.00 0.00 H new ATOM 807 N GLU A 51 2.994 2.148 9.623 1.00 0.00 N ATOM 808 CA GLU A 51 2.228 3.330 10.029 1.00 0.00 C ATOM 809 C GLU A 51 0.862 3.329 9.324 1.00 0.00 C ATOM 810 O GLU A 51 0.830 3.401 8.099 1.00 0.00 O ATOM 811 CB GLU A 51 3.067 4.588 9.717 1.00 0.00 C ATOM 812 CG GLU A 51 3.184 5.594 10.872 1.00 0.00 C ATOM 813 CD GLU A 51 3.876 5.041 12.131 1.00 0.00 C ATOM 814 OE1 GLU A 51 4.198 3.834 12.216 1.00 0.00 O ATOM 815 OE2 GLU A 51 4.097 5.824 13.083 1.00 0.00 O ATOM 0 H GLU A 51 3.624 2.314 8.838 1.00 0.00 H new ATOM 0 HA GLU A 51 2.025 3.321 11.100 1.00 0.00 H new ATOM 0 HB2 GLU A 51 4.069 4.275 9.425 1.00 0.00 H new ATOM 0 HB3 GLU A 51 2.629 5.094 8.857 1.00 0.00 H new ATOM 0 HG2 GLU A 51 3.736 6.467 10.523 1.00 0.00 H new ATOM 0 HG3 GLU A 51 2.185 5.936 11.142 1.00 0.00 H new ATOM 822 N VAL A 52 -0.250 3.219 10.066 1.00 0.00 N ATOM 823 CA VAL A 52 -1.662 3.107 9.648 1.00 0.00 C ATOM 824 C VAL A 52 -2.236 4.334 8.881 1.00 0.00 C ATOM 825 O VAL A 52 -3.431 4.615 8.846 1.00 0.00 O ATOM 826 CB VAL A 52 -2.507 2.448 10.781 1.00 0.00 C ATOM 827 CG1 VAL A 52 -1.948 2.566 12.198 1.00 0.00 C ATOM 828 CG2 VAL A 52 -3.976 2.881 10.906 1.00 0.00 C ATOM 0 H VAL A 52 -0.178 3.204 11.083 1.00 0.00 H new ATOM 0 HA VAL A 52 -1.735 2.401 8.821 1.00 0.00 H new ATOM 0 HB VAL A 52 -2.444 1.425 10.411 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -2.622 2.071 12.897 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -0.967 2.093 12.243 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -1.856 3.618 12.466 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -4.444 2.346 11.732 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -4.024 3.953 11.094 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -4.503 2.651 9.980 1.00 0.00 H new ATOM 838 N VAL A 53 -1.386 5.103 8.222 1.00 0.00 N ATOM 839 CA VAL A 53 -1.679 6.401 7.627 1.00 0.00 C ATOM 840 C VAL A 53 -2.616 6.391 6.405 1.00 0.00 C ATOM 841 O VAL A 53 -2.647 7.394 5.689 1.00 0.00 O ATOM 842 CB VAL A 53 -0.329 7.056 7.284 1.00 0.00 C ATOM 843 CG1 VAL A 53 0.461 7.324 8.568 1.00 0.00 C ATOM 844 CG2 VAL A 53 0.519 6.202 6.320 1.00 0.00 C ATOM 0 H VAL A 53 -0.416 4.824 8.078 1.00 0.00 H new ATOM 0 HA VAL A 53 -2.247 6.971 8.362 1.00 0.00 H new ATOM 0 HB VAL A 53 -0.549 7.994 6.775 1.00 0.00 H new ATOM 0 HG11 VAL A 53 1.415 7.788 8.318 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -0.109 7.992 9.213 1.00 0.00 H new ATOM 0 HG13 VAL A 53 0.640 6.383 9.088 1.00 0.00 H new ATOM 0 HG21 VAL A 53 1.460 6.713 6.113 1.00 0.00 H new ATOM 0 HG22 VAL A 53 0.724 5.234 6.777 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -0.027 6.055 5.388 1.00 0.00 H new ATOM 854 N ALA A 54 -3.325 5.302 6.104 1.00 0.00 N ATOM 855 CA ALA A 54 -4.199 5.235 4.934 1.00 0.00 C ATOM 856 C ALA A 54 -5.335 4.234 5.150 1.00 0.00 C ATOM 857 O ALA A 54 -5.605 3.387 4.301 1.00 0.00 O ATOM 858 CB ALA A 54 -3.357 4.913 3.698 1.00 0.00 C ATOM 0 H ALA A 54 -3.310 4.447 6.661 1.00 0.00 H new ATOM 0 HA ALA A 54 -4.677 6.202 4.776 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -4.003 4.861 2.821 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -2.610 5.693 3.553 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -2.858 3.954 3.838 1.00 0.00 H new ATOM 864 N SER A 55 -5.939 4.276 6.335 1.00 0.00 N ATOM 865 CA SER A 55 -7.078 3.453 6.719 1.00 0.00 C ATOM 866 C SER A 55 -8.171 3.433 5.639 1.00 0.00 C ATOM 867 O SER A 55 -8.411 4.430 4.966 1.00 0.00 O ATOM 868 CB SER A 55 -7.623 4.046 8.013 1.00 0.00 C ATOM 869 OG SER A 55 -6.702 3.919 9.086 1.00 0.00 O ATOM 0 H SER A 55 -5.637 4.906 7.078 1.00 0.00 H new ATOM 0 HA SER A 55 -6.762 2.418 6.848 1.00 0.00 H new ATOM 0 HB2 SER A 55 -7.857 5.099 7.859 1.00 0.00 H new ATOM 0 HB3 SER A 55 -8.556 3.548 8.275 1.00 0.00 H new ATOM 0 HG SER A 55 -7.088 4.312 9.896 1.00 0.00 H new ATOM 875 N ILE A 56 -8.856 2.307 5.468 1.00 0.00 N ATOM 876 CA ILE A 56 -9.815 2.093 4.399 1.00 0.00 C ATOM 877 C ILE A 56 -11.101 1.635 5.060 1.00 0.00 C ATOM 878 O ILE A 56 -11.203 0.485 5.494 1.00 0.00 O ATOM 879 CB ILE A 56 -9.319 1.070 3.354 1.00 0.00 C ATOM 880 CG1 ILE A 56 -7.830 1.164 3.003 1.00 0.00 C ATOM 881 CG2 ILE A 56 -10.170 1.264 2.092 1.00 0.00 C ATOM 882 CD1 ILE A 56 -7.386 -0.001 2.117 1.00 0.00 C ATOM 0 H ILE A 56 -8.755 1.501 6.085 1.00 0.00 H new ATOM 0 HA ILE A 56 -9.966 3.016 3.839 1.00 0.00 H new ATOM 0 HB ILE A 56 -9.431 0.078 3.791 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -7.635 2.106 2.491 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -7.239 1.171 3.919 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -9.851 0.558 1.326 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -11.219 1.091 2.331 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -10.045 2.282 1.722 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -6.325 0.099 1.889 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -7.557 -0.942 2.640 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -7.959 0.008 1.190 1.00 0.00 H new ATOM 894 N GLU A 57 -12.088 2.518 5.140 1.00 0.00 N ATOM 895 CA GLU A 57 -13.384 2.153 5.664 1.00 0.00 C ATOM 896 C GLU A 57 -14.208 1.752 4.466 1.00 0.00 C ATOM 897 O GLU A 57 -14.216 2.475 3.483 1.00 0.00 O ATOM 898 CB GLU A 57 -14.012 3.323 6.422 1.00 0.00 C ATOM 899 CG GLU A 57 -13.613 3.242 7.895 1.00 0.00 C ATOM 900 CD GLU A 57 -12.141 3.588 8.153 1.00 0.00 C ATOM 901 OE1 GLU A 57 -11.851 4.787 8.377 1.00 0.00 O ATOM 902 OE2 GLU A 57 -11.315 2.658 8.254 1.00 0.00 O ATOM 0 H GLU A 57 -12.009 3.492 4.847 1.00 0.00 H new ATOM 0 HA GLU A 57 -13.319 1.336 6.382 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -13.679 4.269 5.995 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -15.097 3.294 6.325 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -14.243 3.920 8.471 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -13.810 2.234 8.261 1.00 0.00 H new ATOM 909 N SER A 58 -14.891 0.616 4.527 1.00 0.00 N ATOM 910 CA SER A 58 -15.781 0.147 3.476 1.00 0.00 C ATOM 911 C SER A 58 -17.230 0.346 3.896 1.00 0.00 C ATOM 912 O SER A 58 -17.512 0.914 4.955 1.00 0.00 O ATOM 913 CB SER A 58 -15.443 -1.300 3.104 1.00 0.00 C ATOM 914 OG SER A 58 -15.770 -2.187 4.154 1.00 0.00 O ATOM 0 H SER A 58 -14.840 -0.017 5.325 1.00 0.00 H new ATOM 0 HA SER A 58 -15.637 0.736 2.570 1.00 0.00 H new ATOM 0 HB2 SER A 58 -15.987 -1.583 2.203 1.00 0.00 H new ATOM 0 HB3 SER A 58 -14.381 -1.380 2.874 1.00 0.00 H new ATOM 0 HG SER A 58 -15.546 -3.104 3.890 1.00 0.00 H new ATOM 920 N VAL A 59 -18.154 -0.159 3.083 1.00 0.00 N ATOM 921 CA VAL A 59 -19.594 -0.116 3.272 1.00 0.00 C ATOM 922 C VAL A 59 -20.012 -0.539 4.682 1.00 0.00 C ATOM 923 O VAL A 59 -21.049 -0.078 5.161 1.00 0.00 O ATOM 924 CB VAL A 59 -20.250 -0.998 2.185 1.00 0.00 C ATOM 925 CG1 VAL A 59 -20.134 -0.337 0.806 1.00 0.00 C ATOM 926 CG2 VAL A 59 -19.671 -2.424 2.140 1.00 0.00 C ATOM 0 H VAL A 59 -17.896 -0.639 2.221 1.00 0.00 H new ATOM 0 HA VAL A 59 -19.939 0.913 3.168 1.00 0.00 H new ATOM 0 HB VAL A 59 -21.302 -1.089 2.456 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -20.602 -0.975 0.056 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -20.635 0.631 0.823 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -19.082 -0.197 0.557 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -20.171 -2.995 1.358 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -18.603 -2.376 1.928 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -19.829 -2.911 3.102 1.00 0.00 H new ATOM 936 N LYS A 60 -19.226 -1.392 5.359 1.00 0.00 N ATOM 937 CA LYS A 60 -19.488 -1.767 6.743 1.00 0.00 C ATOM 938 C LYS A 60 -18.262 -2.310 7.505 1.00 0.00 C ATOM 939 O LYS A 60 -18.447 -2.939 8.550 1.00 0.00 O ATOM 940 CB LYS A 60 -20.716 -2.708 6.815 1.00 0.00 C ATOM 941 CG LYS A 60 -20.747 -3.775 5.706 1.00 0.00 C ATOM 942 CD LYS A 60 -21.733 -4.924 5.918 1.00 0.00 C ATOM 943 CE LYS A 60 -21.288 -5.834 7.059 1.00 0.00 C ATOM 944 NZ LYS A 60 -21.926 -5.454 8.328 1.00 0.00 N ATOM 0 H LYS A 60 -18.399 -1.834 4.959 1.00 0.00 H new ATOM 0 HA LYS A 60 -19.726 -0.848 7.278 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -20.725 -3.205 7.785 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -21.625 -2.109 6.756 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -20.986 -3.285 4.762 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -19.746 -4.194 5.603 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -22.722 -4.521 6.136 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -21.820 -5.505 5.000 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -21.537 -6.868 6.820 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -20.204 -5.783 7.165 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -21.206 -5.400 9.076 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -22.385 -4.527 8.222 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -22.639 -6.166 8.585 1.00 0.00 H new ATOM 958 N ALA A 61 -17.029 -2.130 7.024 1.00 0.00 N ATOM 959 CA ALA A 61 -15.804 -2.579 7.701 1.00 0.00 C ATOM 960 C ALA A 61 -14.752 -1.463 7.704 1.00 0.00 C ATOM 961 O ALA A 61 -15.019 -0.369 7.195 1.00 0.00 O ATOM 962 CB ALA A 61 -15.294 -3.880 7.064 1.00 0.00 C ATOM 0 H ALA A 61 -16.848 -1.660 6.137 1.00 0.00 H new ATOM 0 HA ALA A 61 -16.025 -2.801 8.745 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -14.386 -4.203 7.574 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -16.057 -4.653 7.156 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -15.077 -3.708 6.010 1.00 0.00 H new ATOM 968 N ALA A 62 -13.577 -1.743 8.278 1.00 0.00 N ATOM 969 CA ALA A 62 -12.404 -0.876 8.320 1.00 0.00 C ATOM 970 C ALA A 62 -11.133 -1.720 8.208 1.00 0.00 C ATOM 971 O ALA A 62 -11.034 -2.764 8.864 1.00 0.00 O ATOM 972 CB ALA A 62 -12.386 -0.108 9.639 1.00 0.00 C ATOM 0 H ALA A 62 -13.414 -2.632 8.751 1.00 0.00 H new ATOM 0 HA ALA A 62 -12.446 -0.174 7.487 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -11.510 0.540 9.671 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -13.288 0.498 9.720 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -12.347 -0.813 10.470 1.00 0.00 H new ATOM 978 N ALA A 63 -10.155 -1.274 7.422 1.00 0.00 N ATOM 979 CA ALA A 63 -8.855 -1.902 7.238 1.00 0.00 C ATOM 980 C ALA A 63 -7.781 -0.824 7.289 1.00 0.00 C ATOM 981 O ALA A 63 -7.646 -0.040 6.356 1.00 0.00 O ATOM 982 CB ALA A 63 -8.804 -2.679 5.919 1.00 0.00 C ATOM 0 H ALA A 63 -10.256 -0.422 6.870 1.00 0.00 H new ATOM 0 HA ALA A 63 -8.679 -2.622 8.037 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -7.822 -3.139 5.805 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -9.570 -3.455 5.924 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -8.984 -1.997 5.088 1.00 0.00 H new ATOM 988 N ASP A 64 -7.021 -0.790 8.377 1.00 0.00 N ATOM 989 CA ASP A 64 -5.822 0.028 8.528 1.00 0.00 C ATOM 990 C ASP A 64 -4.863 -0.315 7.368 1.00 0.00 C ATOM 991 O ASP A 64 -4.768 -1.497 7.007 1.00 0.00 O ATOM 992 CB ASP A 64 -5.096 -0.314 9.861 1.00 0.00 C ATOM 993 CG ASP A 64 -5.883 -0.968 11.010 1.00 0.00 C ATOM 994 OD1 ASP A 64 -6.442 -2.077 10.810 1.00 0.00 O ATOM 995 OD2 ASP A 64 -5.875 -0.418 12.136 1.00 0.00 O ATOM 0 H ASP A 64 -7.228 -1.348 9.205 1.00 0.00 H new ATOM 0 HA ASP A 64 -6.102 1.081 8.526 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -4.264 -0.975 9.619 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -4.667 0.611 10.245 1.00 0.00 H new ATOM 1000 N VAL A 65 -4.115 0.657 6.823 1.00 0.00 N ATOM 1001 CA VAL A 65 -3.036 0.407 5.858 1.00 0.00 C ATOM 1002 C VAL A 65 -1.733 0.850 6.484 1.00 0.00 C ATOM 1003 O VAL A 65 -1.543 2.041 6.724 1.00 0.00 O ATOM 1004 CB VAL A 65 -3.269 1.159 4.549 1.00 0.00 C ATOM 1005 CG1 VAL A 65 -2.061 1.159 3.590 1.00 0.00 C ATOM 1006 CG2 VAL A 65 -4.481 0.565 3.843 1.00 0.00 C ATOM 0 H VAL A 65 -4.244 1.645 7.042 1.00 0.00 H new ATOM 0 HA VAL A 65 -3.008 -0.656 5.620 1.00 0.00 H new ATOM 0 HB VAL A 65 -3.435 2.202 4.819 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -2.313 1.714 2.687 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -1.208 1.630 4.079 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -1.806 0.133 3.325 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -4.654 1.097 2.907 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -4.299 -0.489 3.633 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -5.358 0.662 4.483 1.00 0.00 H new ATOM 1016 N TYR A 66 -0.852 -0.103 6.757 1.00 0.00 N ATOM 1017 CA TYR A 66 0.303 0.077 7.598 1.00 0.00 C ATOM 1018 C TYR A 66 1.567 0.137 6.753 1.00 0.00 C ATOM 1019 O TYR A 66 2.141 -0.909 6.435 1.00 0.00 O ATOM 1020 CB TYR A 66 0.412 -1.102 8.548 1.00 0.00 C ATOM 1021 CG TYR A 66 -0.746 -1.376 9.469 1.00 0.00 C ATOM 1022 CD1 TYR A 66 -0.830 -0.733 10.711 1.00 0.00 C ATOM 1023 CD2 TYR A 66 -1.658 -2.381 9.129 1.00 0.00 C ATOM 1024 CE1 TYR A 66 -1.768 -1.169 11.665 1.00 0.00 C ATOM 1025 CE2 TYR A 66 -2.588 -2.834 10.067 1.00 0.00 C ATOM 1026 CZ TYR A 66 -2.639 -2.237 11.345 1.00 0.00 C ATOM 1027 OH TYR A 66 -3.526 -2.723 12.246 1.00 0.00 O ATOM 0 H TYR A 66 -0.932 -1.049 6.383 1.00 0.00 H new ATOM 0 HA TYR A 66 0.194 1.009 8.153 1.00 0.00 H new ATOM 0 HB2 TYR A 66 0.583 -1.998 7.951 1.00 0.00 H new ATOM 0 HB3 TYR A 66 1.300 -0.955 9.163 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -0.176 0.096 10.936 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -1.643 -2.808 8.137 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -1.823 -0.693 12.633 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -3.265 -3.637 9.816 1.00 0.00 H new ATOM 0 HH TYR A 66 -4.037 -3.454 11.840 1.00 0.00 H new ATOM 1037 N ALA A 67 2.030 1.361 6.500 1.00 0.00 N ATOM 1038 CA ALA A 67 3.019 1.667 5.470 1.00 0.00 C ATOM 1039 C ALA A 67 4.153 0.640 5.451 1.00 0.00 C ATOM 1040 O ALA A 67 4.679 0.317 6.514 1.00 0.00 O ATOM 1041 CB ALA A 67 3.638 3.051 5.680 1.00 0.00 C ATOM 0 H ALA A 67 1.721 2.184 7.017 1.00 0.00 H new ATOM 0 HA ALA A 67 2.484 1.640 4.521 1.00 0.00 H new ATOM 0 HB1 ALA A 67 4.369 3.245 4.895 1.00 0.00 H new ATOM 0 HB2 ALA A 67 2.856 3.809 5.643 1.00 0.00 H new ATOM 0 HB3 ALA A 67 4.131 3.086 6.652 1.00 0.00 H new ATOM 1047 N PRO A 68 4.575 0.141 4.285 1.00 0.00 N ATOM 1048 CA PRO A 68 5.414 -1.041 4.229 1.00 0.00 C ATOM 1049 C PRO A 68 6.854 -0.786 4.678 1.00 0.00 C ATOM 1050 O PRO A 68 7.507 -1.735 5.104 1.00 0.00 O ATOM 1051 CB PRO A 68 5.332 -1.506 2.774 1.00 0.00 C ATOM 1052 CG PRO A 68 5.027 -0.227 1.996 1.00 0.00 C ATOM 1053 CD PRO A 68 4.162 0.563 2.964 1.00 0.00 C ATOM 0 HA PRO A 68 5.066 -1.804 4.926 1.00 0.00 H new ATOM 0 HB2 PRO A 68 6.267 -1.960 2.446 1.00 0.00 H new ATOM 0 HB3 PRO A 68 4.550 -2.253 2.637 1.00 0.00 H new ATOM 0 HG2 PRO A 68 5.937 0.313 1.734 1.00 0.00 H new ATOM 0 HG3 PRO A 68 4.502 -0.437 1.064 1.00 0.00 H new ATOM 0 HD2 PRO A 68 4.305 1.636 2.832 1.00 0.00 H new ATOM 0 HD3 PRO A 68 3.104 0.360 2.800 1.00 0.00 H new ATOM 1061 N LEU A 69 7.351 0.455 4.584 1.00 0.00 N ATOM 1062 CA LEU A 69 8.717 0.845 4.934 1.00 0.00 C ATOM 1063 C LEU A 69 8.687 2.223 5.581 1.00 0.00 C ATOM 1064 O LEU A 69 7.693 2.950 5.484 1.00 0.00 O ATOM 1065 CB LEU A 69 9.614 0.914 3.688 1.00 0.00 C ATOM 1066 CG LEU A 69 9.884 -0.462 3.051 1.00 0.00 C ATOM 1067 CD1 LEU A 69 9.276 -0.498 1.644 1.00 0.00 C ATOM 1068 CD2 LEU A 69 11.363 -0.825 2.991 1.00 0.00 C ATOM 0 H LEU A 69 6.791 1.239 4.250 1.00 0.00 H new ATOM 0 HA LEU A 69 9.121 0.098 5.617 1.00 0.00 H new ATOM 0 HB2 LEU A 69 9.146 1.563 2.948 1.00 0.00 H new ATOM 0 HB3 LEU A 69 10.565 1.373 3.959 1.00 0.00 H new ATOM 0 HG LEU A 69 9.414 -1.207 3.692 1.00 0.00 H new ATOM 0 HD11 LEU A 69 9.466 -1.471 1.191 1.00 0.00 H new ATOM 0 HD12 LEU A 69 8.201 -0.331 1.708 1.00 0.00 H new ATOM 0 HD13 LEU A 69 9.729 0.282 1.032 1.00 0.00 H new ATOM 0 HD21 LEU A 69 11.478 -1.806 2.531 1.00 0.00 H new ATOM 0 HD22 LEU A 69 11.896 -0.081 2.399 1.00 0.00 H new ATOM 0 HD23 LEU A 69 11.773 -0.847 4.001 1.00 0.00 H new ATOM 1080 N SER A 70 9.797 2.605 6.197 1.00 0.00 N ATOM 1081 CA SER A 70 9.973 3.876 6.865 1.00 0.00 C ATOM 1082 C SER A 70 10.501 4.885 5.844 1.00 0.00 C ATOM 1083 O SER A 70 11.518 4.669 5.193 1.00 0.00 O ATOM 1084 CB SER A 70 10.877 3.708 8.101 1.00 0.00 C ATOM 1085 OG SER A 70 10.518 2.551 8.852 1.00 0.00 O ATOM 0 H SER A 70 10.626 2.013 6.244 1.00 0.00 H new ATOM 0 HA SER A 70 9.027 4.259 7.247 1.00 0.00 H new ATOM 0 HB2 SER A 70 11.917 3.631 7.785 1.00 0.00 H new ATOM 0 HB3 SER A 70 10.800 4.593 8.733 1.00 0.00 H new ATOM 0 HG SER A 70 11.109 2.469 9.629 1.00 0.00 H new ATOM 1091 N GLY A 71 9.801 5.993 5.649 1.00 0.00 N ATOM 1092 CA GLY A 71 10.078 6.968 4.602 1.00 0.00 C ATOM 1093 C GLY A 71 9.156 8.155 4.798 1.00 0.00 C ATOM 1094 O GLY A 71 8.593 8.319 5.885 1.00 0.00 O ATOM 0 H GLY A 71 9.002 6.246 6.230 1.00 0.00 H new ATOM 0 HA2 GLY A 71 11.120 7.286 4.646 1.00 0.00 H new ATOM 0 HA3 GLY A 71 9.921 6.524 3.619 1.00 0.00 H new ATOM 1098 N LYS A 72 8.963 8.981 3.771 1.00 0.00 N ATOM 1099 CA LYS A 72 8.074 10.138 3.874 1.00 0.00 C ATOM 1100 C LYS A 72 7.158 10.189 2.663 1.00 0.00 C ATOM 1101 O LYS A 72 7.630 10.074 1.530 1.00 0.00 O ATOM 1102 CB LYS A 72 8.918 11.407 4.049 1.00 0.00 C ATOM 1103 CG LYS A 72 8.079 12.670 4.305 1.00 0.00 C ATOM 1104 CD LYS A 72 8.800 13.971 3.918 1.00 0.00 C ATOM 1105 CE LYS A 72 8.990 14.867 5.140 1.00 0.00 C ATOM 1106 NZ LYS A 72 9.325 16.250 4.759 1.00 0.00 N ATOM 0 H LYS A 72 9.409 8.871 2.860 1.00 0.00 H new ATOM 0 HA LYS A 72 7.429 10.057 4.749 1.00 0.00 H new ATOM 0 HB2 LYS A 72 9.608 11.264 4.881 1.00 0.00 H new ATOM 0 HB3 LYS A 72 9.524 11.557 3.155 1.00 0.00 H new ATOM 0 HG2 LYS A 72 7.148 12.599 3.743 1.00 0.00 H new ATOM 0 HG3 LYS A 72 7.812 12.712 5.361 1.00 0.00 H new ATOM 0 HD2 LYS A 72 9.769 13.738 3.477 1.00 0.00 H new ATOM 0 HD3 LYS A 72 8.224 14.500 3.159 1.00 0.00 H new ATOM 0 HE2 LYS A 72 8.078 14.865 5.737 1.00 0.00 H new ATOM 0 HE3 LYS A 72 9.783 14.461 5.768 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 9.446 16.827 5.616 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 10.209 16.255 4.211 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 8.557 16.646 4.181 1.00 0.00 H new ATOM 1120 N ILE A 73 5.857 10.339 2.918 1.00 0.00 N ATOM 1121 CA ILE A 73 4.815 10.510 1.915 1.00 0.00 C ATOM 1122 C ILE A 73 5.149 11.750 1.088 1.00 0.00 C ATOM 1123 O ILE A 73 5.834 12.662 1.556 1.00 0.00 O ATOM 1124 CB ILE A 73 3.423 10.630 2.578 1.00 0.00 C ATOM 1125 CG1 ILE A 73 3.125 9.563 3.656 1.00 0.00 C ATOM 1126 CG2 ILE A 73 2.294 10.593 1.526 1.00 0.00 C ATOM 1127 CD1 ILE A 73 3.525 8.137 3.275 1.00 0.00 C ATOM 0 H ILE A 73 5.490 10.344 3.870 1.00 0.00 H new ATOM 0 HA ILE A 73 4.777 9.637 1.264 1.00 0.00 H new ATOM 0 HB ILE A 73 3.452 11.596 3.082 1.00 0.00 H new ATOM 0 HG12 ILE A 73 3.645 9.838 4.573 1.00 0.00 H new ATOM 0 HG13 ILE A 73 2.058 9.579 3.878 1.00 0.00 H new ATOM 0 HG21 ILE A 73 1.329 10.679 2.025 1.00 0.00 H new ATOM 0 HG22 ILE A 73 2.418 11.422 0.830 1.00 0.00 H new ATOM 0 HG23 ILE A 73 2.337 9.651 0.979 1.00 0.00 H new ATOM 0 HD11 ILE A 73 3.278 7.459 4.092 1.00 0.00 H new ATOM 0 HD12 ILE A 73 2.985 7.835 2.377 1.00 0.00 H new ATOM 0 HD13 ILE A 73 4.597 8.099 3.084 1.00 0.00 H new ATOM 1139 N VAL A 74 4.702 11.747 -0.162 1.00 0.00 N ATOM 1140 CA VAL A 74 5.167 12.685 -1.180 1.00 0.00 C ATOM 1141 C VAL A 74 4.263 12.634 -2.387 1.00 0.00 C ATOM 1142 O VAL A 74 4.321 13.507 -3.249 1.00 0.00 O ATOM 1143 CB VAL A 74 6.545 12.187 -1.646 1.00 0.00 C ATOM 1144 CG1 VAL A 74 6.719 11.471 -2.999 1.00 0.00 C ATOM 1145 CG2 VAL A 74 7.668 13.187 -1.410 1.00 0.00 C ATOM 0 H VAL A 74 4.001 11.089 -0.502 1.00 0.00 H new ATOM 0 HA VAL A 74 5.189 13.695 -0.770 1.00 0.00 H new ATOM 0 HB VAL A 74 6.619 11.344 -0.960 1.00 0.00 H new ATOM 0 HG11 VAL A 74 7.766 11.202 -3.136 1.00 0.00 H new ATOM 0 HG12 VAL A 74 6.108 10.569 -3.014 1.00 0.00 H new ATOM 0 HG13 VAL A 74 6.406 12.135 -3.805 1.00 0.00 H new ATOM 0 HG21 VAL A 74 8.610 12.767 -1.763 1.00 0.00 H new ATOM 0 HG22 VAL A 74 7.455 14.108 -1.953 1.00 0.00 H new ATOM 0 HG23 VAL A 74 7.745 13.403 -0.344 1.00 0.00 H new ATOM 1155 N GLU A 75 3.426 11.607 -2.475 1.00 0.00 N ATOM 1156 CA GLU A 75 2.376 11.594 -3.435 1.00 0.00 C ATOM 1157 C GLU A 75 1.199 10.860 -2.801 1.00 0.00 C ATOM 1158 O GLU A 75 1.400 10.003 -1.936 1.00 0.00 O ATOM 1159 CB GLU A 75 2.879 10.922 -4.711 1.00 0.00 C ATOM 1160 CG GLU A 75 2.886 11.797 -5.946 1.00 0.00 C ATOM 1161 CD GLU A 75 3.224 10.938 -7.150 1.00 0.00 C ATOM 1162 OE1 GLU A 75 2.284 10.389 -7.766 1.00 0.00 O ATOM 1163 OE2 GLU A 75 4.418 10.699 -7.431 1.00 0.00 O ATOM 0 H GLU A 75 3.471 10.778 -1.882 1.00 0.00 H new ATOM 0 HA GLU A 75 2.051 12.596 -3.715 1.00 0.00 H new ATOM 0 HB2 GLU A 75 3.893 10.561 -4.536 1.00 0.00 H new ATOM 0 HB3 GLU A 75 2.259 10.048 -4.909 1.00 0.00 H new ATOM 0 HG2 GLU A 75 1.913 12.269 -6.080 1.00 0.00 H new ATOM 0 HG3 GLU A 75 3.617 12.599 -5.837 1.00 0.00 H new ATOM 1170 N VAL A 76 -0.027 11.144 -3.214 1.00 0.00 N ATOM 1171 CA VAL A 76 -1.237 10.557 -2.647 1.00 0.00 C ATOM 1172 C VAL A 76 -2.224 10.331 -3.787 1.00 0.00 C ATOM 1173 O VAL A 76 -2.317 11.156 -4.696 1.00 0.00 O ATOM 1174 CB VAL A 76 -1.804 11.452 -1.525 1.00 0.00 C ATOM 1175 CG1 VAL A 76 -0.828 11.544 -0.341 1.00 0.00 C ATOM 1176 CG2 VAL A 76 -2.115 12.866 -2.021 1.00 0.00 C ATOM 0 H VAL A 76 -0.215 11.803 -3.969 1.00 0.00 H new ATOM 0 HA VAL A 76 -1.023 9.597 -2.176 1.00 0.00 H new ATOM 0 HB VAL A 76 -2.732 10.983 -1.199 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -1.255 12.181 0.434 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -0.653 10.547 0.064 1.00 0.00 H new ATOM 0 HG13 VAL A 76 0.117 11.969 -0.680 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -2.512 13.461 -1.198 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -1.202 13.329 -2.396 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -2.853 12.817 -2.822 1.00 0.00 H new ATOM 1186 N ASN A 77 -2.916 9.193 -3.779 1.00 0.00 N ATOM 1187 CA ASN A 77 -3.800 8.824 -4.867 1.00 0.00 C ATOM 1188 C ASN A 77 -5.160 9.426 -4.605 1.00 0.00 C ATOM 1189 O ASN A 77 -6.026 8.799 -3.990 1.00 0.00 O ATOM 1190 CB ASN A 77 -3.929 7.311 -5.029 1.00 0.00 C ATOM 1191 CG ASN A 77 -4.635 6.970 -6.337 1.00 0.00 C ATOM 1192 OD1 ASN A 77 -4.638 7.746 -7.285 1.00 0.00 O ATOM 1193 ND2 ASN A 77 -5.248 5.808 -6.425 1.00 0.00 N ATOM 0 H ASN A 77 -2.876 8.511 -3.022 1.00 0.00 H new ATOM 0 HA ASN A 77 -3.374 9.207 -5.795 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -2.940 6.852 -5.013 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -4.487 6.896 -4.189 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -5.729 5.549 -7.286 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -5.242 5.167 -5.632 1.00 0.00 H new ATOM 1200 N GLU A 78 -5.366 10.645 -5.087 1.00 0.00 N ATOM 1201 CA GLU A 78 -6.586 11.406 -4.864 1.00 0.00 C ATOM 1202 C GLU A 78 -7.809 10.713 -5.480 1.00 0.00 C ATOM 1203 O GLU A 78 -8.946 11.123 -5.253 1.00 0.00 O ATOM 1204 CB GLU A 78 -6.452 12.841 -5.397 1.00 0.00 C ATOM 1205 CG GLU A 78 -5.045 13.461 -5.320 1.00 0.00 C ATOM 1206 CD GLU A 78 -4.176 13.204 -6.566 1.00 0.00 C ATOM 1207 OE1 GLU A 78 -4.379 12.215 -7.317 1.00 0.00 O ATOM 1208 OE2 GLU A 78 -3.263 14.010 -6.848 1.00 0.00 O ATOM 0 H GLU A 78 -4.677 11.140 -5.654 1.00 0.00 H new ATOM 0 HA GLU A 78 -6.740 11.455 -3.786 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -6.776 12.853 -6.438 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -7.140 13.479 -4.842 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -5.141 14.537 -5.173 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -4.532 13.064 -4.444 1.00 0.00 H new ATOM 1215 N LYS A 79 -7.583 9.661 -6.269 1.00 0.00 N ATOM 1216 CA LYS A 79 -8.611 8.842 -6.877 1.00 0.00 C ATOM 1217 C LYS A 79 -9.422 8.179 -5.779 1.00 0.00 C ATOM 1218 O LYS A 79 -10.646 8.196 -5.869 1.00 0.00 O ATOM 1219 CB LYS A 79 -7.983 7.798 -7.811 1.00 0.00 C ATOM 1220 CG LYS A 79 -7.155 8.425 -8.947 1.00 0.00 C ATOM 1221 CD LYS A 79 -6.388 7.368 -9.760 1.00 0.00 C ATOM 1222 CE LYS A 79 -7.209 6.869 -10.945 1.00 0.00 C ATOM 1223 NZ LYS A 79 -7.001 7.705 -12.139 1.00 0.00 N ATOM 0 H LYS A 79 -6.640 9.352 -6.505 1.00 0.00 H new ATOM 0 HA LYS A 79 -9.271 9.465 -7.481 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -7.345 7.135 -7.228 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -8.773 7.183 -8.242 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -7.816 8.982 -9.611 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -6.448 9.141 -8.527 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -5.451 7.793 -10.119 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -6.131 6.528 -9.115 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -6.935 5.838 -11.170 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -8.267 6.868 -10.681 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -7.884 7.756 -12.686 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -6.719 8.663 -11.847 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -6.253 7.288 -12.729 1.00 0.00 H new ATOM 1237 N LEU A 80 -8.804 7.607 -4.733 1.00 0.00 N ATOM 1238 CA LEU A 80 -9.558 6.802 -3.799 1.00 0.00 C ATOM 1239 C LEU A 80 -10.570 7.593 -2.965 1.00 0.00 C ATOM 1240 O LEU A 80 -11.461 6.985 -2.379 1.00 0.00 O ATOM 1241 CB LEU A 80 -8.561 6.111 -2.893 1.00 0.00 C ATOM 1242 CG LEU A 80 -7.467 5.296 -3.605 1.00 0.00 C ATOM 1243 CD1 LEU A 80 -6.769 4.575 -2.502 1.00 0.00 C ATOM 1244 CD2 LEU A 80 -7.983 4.315 -4.661 1.00 0.00 C ATOM 0 H LEU A 80 -7.808 7.692 -4.528 1.00 0.00 H new ATOM 0 HA LEU A 80 -10.156 6.092 -4.371 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -8.080 6.865 -2.271 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -9.106 5.446 -2.223 1.00 0.00 H new ATOM 0 HG LEU A 80 -6.819 5.960 -4.177 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -5.967 3.964 -2.917 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -6.349 5.298 -1.803 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -7.479 3.935 -1.979 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -7.141 3.786 -5.109 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -8.655 3.596 -4.192 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -8.520 4.863 -5.435 1.00 0.00 H new ATOM 1256 N ASP A 81 -10.467 8.925 -2.942 1.00 0.00 N ATOM 1257 CA ASP A 81 -11.439 9.820 -2.309 1.00 0.00 C ATOM 1258 C ASP A 81 -12.822 9.706 -2.967 1.00 0.00 C ATOM 1259 O ASP A 81 -13.844 9.879 -2.298 1.00 0.00 O ATOM 1260 CB ASP A 81 -10.910 11.256 -2.429 1.00 0.00 C ATOM 1261 CG ASP A 81 -11.709 12.327 -1.678 1.00 0.00 C ATOM 1262 OD1 ASP A 81 -12.539 12.022 -0.795 1.00 0.00 O ATOM 1263 OD2 ASP A 81 -11.507 13.523 -2.005 1.00 0.00 O ATOM 0 H ASP A 81 -9.687 9.422 -3.373 1.00 0.00 H new ATOM 0 HA ASP A 81 -11.559 9.541 -1.262 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -9.882 11.276 -2.067 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -10.881 11.525 -3.485 1.00 0.00 H new ATOM 1268 N THR A 82 -12.875 9.397 -4.274 1.00 0.00 N ATOM 1269 CA THR A 82 -14.135 9.354 -5.021 1.00 0.00 C ATOM 1270 C THR A 82 -14.304 8.130 -5.920 1.00 0.00 C ATOM 1271 O THR A 82 -15.402 7.899 -6.428 1.00 0.00 O ATOM 1272 CB THR A 82 -14.357 10.654 -5.799 1.00 0.00 C ATOM 1273 OG1 THR A 82 -13.504 10.834 -6.916 1.00 0.00 O ATOM 1274 CG2 THR A 82 -14.201 11.912 -4.950 1.00 0.00 C ATOM 0 H THR A 82 -12.052 9.173 -4.834 1.00 0.00 H new ATOM 0 HA THR A 82 -14.914 9.254 -4.265 1.00 0.00 H new ATOM 0 HB THR A 82 -15.387 10.530 -6.134 1.00 0.00 H new ATOM 0 HG1 THR A 82 -13.714 11.685 -7.354 1.00 0.00 H new ATOM 0 HG21 THR A 82 -14.373 12.792 -5.569 1.00 0.00 H new ATOM 0 HG22 THR A 82 -14.926 11.894 -4.136 1.00 0.00 H new ATOM 0 HG23 THR A 82 -13.193 11.950 -4.537 1.00 0.00 H new ATOM 1282 N GLU A 83 -13.269 7.312 -6.080 1.00 0.00 N ATOM 1283 CA GLU A 83 -13.372 5.938 -6.536 1.00 0.00 C ATOM 1284 C GLU A 83 -12.555 5.054 -5.585 1.00 0.00 C ATOM 1285 O GLU A 83 -11.524 4.495 -5.960 1.00 0.00 O ATOM 1286 CB GLU A 83 -12.912 5.841 -7.986 1.00 0.00 C ATOM 1287 CG GLU A 83 -13.861 6.513 -8.996 1.00 0.00 C ATOM 1288 CD GLU A 83 -15.310 6.001 -8.943 1.00 0.00 C ATOM 1289 OE1 GLU A 83 -15.558 4.863 -8.499 1.00 0.00 O ATOM 1290 OE2 GLU A 83 -16.222 6.732 -9.405 1.00 0.00 O ATOM 0 H GLU A 83 -12.309 7.599 -5.889 1.00 0.00 H new ATOM 0 HA GLU A 83 -14.404 5.588 -6.516 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -11.925 6.296 -8.074 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -12.803 4.789 -8.251 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -13.861 7.588 -8.816 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -13.470 6.358 -10.002 1.00 0.00 H new ATOM 1297 N PRO A 84 -13.029 4.870 -4.343 1.00 0.00 N ATOM 1298 CA PRO A 84 -12.493 3.889 -3.417 1.00 0.00 C ATOM 1299 C PRO A 84 -12.693 2.475 -3.974 1.00 0.00 C ATOM 1300 O PRO A 84 -12.022 1.542 -3.531 1.00 0.00 O ATOM 1301 CB PRO A 84 -13.224 4.124 -2.087 1.00 0.00 C ATOM 1302 CG PRO A 84 -14.397 5.053 -2.387 1.00 0.00 C ATOM 1303 CD PRO A 84 -14.192 5.536 -3.811 1.00 0.00 C ATOM 0 HA PRO A 84 -11.418 3.992 -3.268 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -13.575 3.181 -1.667 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -12.555 4.571 -1.352 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -15.347 4.528 -2.286 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -14.420 5.891 -1.690 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -15.069 5.315 -4.419 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -14.055 6.617 -3.831 1.00 0.00 H new ATOM 1311 N GLU A 85 -13.566 2.307 -4.975 1.00 0.00 N ATOM 1312 CA GLU A 85 -13.727 1.056 -5.690 1.00 0.00 C ATOM 1313 C GLU A 85 -12.509 0.719 -6.531 1.00 0.00 C ATOM 1314 O GLU A 85 -12.351 -0.441 -6.871 1.00 0.00 O ATOM 1315 CB GLU A 85 -14.944 1.123 -6.623 1.00 0.00 C ATOM 1316 CG GLU A 85 -15.338 -0.244 -7.212 1.00 0.00 C ATOM 1317 CD GLU A 85 -15.067 -0.382 -8.718 1.00 0.00 C ATOM 1318 OE1 GLU A 85 -15.719 0.351 -9.499 1.00 0.00 O ATOM 1319 OE2 GLU A 85 -14.292 -1.272 -9.133 1.00 0.00 O ATOM 0 H GLU A 85 -14.182 3.049 -5.307 1.00 0.00 H new ATOM 0 HA GLU A 85 -13.863 0.282 -4.934 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -15.792 1.532 -6.073 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -14.730 1.814 -7.439 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -14.793 -1.026 -6.683 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -16.399 -0.414 -7.028 1.00 0.00 H new ATOM 1326 N LEU A 86 -11.632 1.662 -6.880 1.00 0.00 N ATOM 1327 CA LEU A 86 -10.549 1.332 -7.799 1.00 0.00 C ATOM 1328 C LEU A 86 -9.569 0.329 -7.217 1.00 0.00 C ATOM 1329 O LEU A 86 -8.846 -0.316 -7.972 1.00 0.00 O ATOM 1330 CB LEU A 86 -9.799 2.580 -8.290 1.00 0.00 C ATOM 1331 CG LEU A 86 -10.161 2.992 -9.727 1.00 0.00 C ATOM 1332 CD1 LEU A 86 -9.067 3.924 -10.240 1.00 0.00 C ATOM 1333 CD2 LEU A 86 -10.260 1.784 -10.669 1.00 0.00 C ATOM 0 H LEU A 86 -11.649 2.628 -6.552 1.00 0.00 H new ATOM 0 HA LEU A 86 -11.032 0.865 -8.657 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -10.014 3.411 -7.618 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -8.726 2.394 -8.234 1.00 0.00 H new ATOM 0 HG LEU A 86 -11.136 3.480 -9.710 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -9.300 4.232 -11.259 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -9.009 4.804 -9.600 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -8.110 3.403 -10.228 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -10.518 2.125 -11.672 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -9.302 1.265 -10.697 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -11.031 1.103 -10.308 1.00 0.00 H new ATOM 1345 N ILE A 87 -9.581 0.145 -5.901 1.00 0.00 N ATOM 1346 CA ILE A 87 -8.855 -0.938 -5.278 1.00 0.00 C ATOM 1347 C ILE A 87 -9.424 -2.296 -5.715 1.00 0.00 C ATOM 1348 O ILE A 87 -8.673 -3.257 -5.774 1.00 0.00 O ATOM 1349 CB ILE A 87 -8.839 -0.742 -3.752 1.00 0.00 C ATOM 1350 CG1 ILE A 87 -8.256 0.654 -3.401 1.00 0.00 C ATOM 1351 CG2 ILE A 87 -8.024 -1.872 -3.126 1.00 0.00 C ATOM 1352 CD1 ILE A 87 -7.612 0.799 -2.014 1.00 0.00 C ATOM 0 H ILE A 87 -10.091 0.740 -5.248 1.00 0.00 H new ATOM 0 HA ILE A 87 -7.817 -0.929 -5.610 1.00 0.00 H new ATOM 0 HB ILE A 87 -9.852 -0.778 -3.351 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -7.509 0.910 -4.152 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -9.057 1.389 -3.484 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -8.002 -1.748 -2.043 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -8.481 -2.830 -3.373 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -7.006 -1.845 -3.515 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -7.243 1.817 -1.889 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -8.353 0.584 -1.244 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -6.782 0.099 -1.923 1.00 0.00 H new ATOM 1364 N ASN A 88 -10.709 -2.423 -6.048 1.00 0.00 N ATOM 1365 CA ASN A 88 -11.240 -3.647 -6.641 1.00 0.00 C ATOM 1366 C ASN A 88 -10.717 -3.800 -8.060 1.00 0.00 C ATOM 1367 O ASN A 88 -10.208 -4.847 -8.456 1.00 0.00 O ATOM 1368 CB ASN A 88 -12.765 -3.631 -6.707 1.00 0.00 C ATOM 1369 CG ASN A 88 -13.368 -3.967 -5.344 1.00 0.00 C ATOM 1370 OD1 ASN A 88 -13.654 -5.118 -5.026 1.00 0.00 O ATOM 1371 ND2 ASN A 88 -13.446 -2.998 -4.451 1.00 0.00 N ATOM 0 H ASN A 88 -11.403 -1.688 -5.915 1.00 0.00 H new ATOM 0 HA ASN A 88 -10.918 -4.475 -6.010 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -13.110 -2.649 -7.031 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -13.109 -4.350 -7.450 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -13.744 -3.206 -3.498 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -13.209 -2.042 -4.714 1.00 0.00 H new ATOM 1378 N LYS A 89 -10.927 -2.754 -8.856 1.00 0.00 N ATOM 1379 CA LYS A 89 -10.685 -2.713 -10.289 1.00 0.00 C ATOM 1380 C LYS A 89 -9.221 -2.967 -10.630 1.00 0.00 C ATOM 1381 O LYS A 89 -8.928 -3.693 -11.583 1.00 0.00 O ATOM 1382 CB LYS A 89 -11.190 -1.355 -10.793 1.00 0.00 C ATOM 1383 CG LYS A 89 -12.403 -1.517 -11.711 1.00 0.00 C ATOM 1384 CD LYS A 89 -12.014 -1.751 -13.178 1.00 0.00 C ATOM 1385 CE LYS A 89 -13.056 -2.541 -13.980 1.00 0.00 C ATOM 1386 NZ LYS A 89 -14.456 -2.288 -13.586 1.00 0.00 N ATOM 0 H LYS A 89 -11.289 -1.870 -8.497 1.00 0.00 H new ATOM 0 HA LYS A 89 -11.225 -3.515 -10.792 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -11.456 -0.726 -9.944 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -10.391 -0.844 -11.330 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -13.007 -2.355 -11.362 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -13.026 -0.625 -11.643 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -11.855 -0.786 -13.660 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -11.064 -2.284 -13.211 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -12.941 -2.300 -15.037 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -12.848 -3.605 -13.871 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -15.095 -2.650 -14.322 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -14.656 -2.770 -12.686 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -14.605 -1.265 -13.471 1.00 0.00 H new ATOM 1400 N ASP A 90 -8.303 -2.356 -9.886 1.00 0.00 N ATOM 1401 CA ASP A 90 -6.866 -2.477 -10.089 1.00 0.00 C ATOM 1402 C ASP A 90 -6.167 -2.169 -8.764 1.00 0.00 C ATOM 1403 O ASP A 90 -5.577 -1.092 -8.628 1.00 0.00 O ATOM 1404 CB ASP A 90 -6.406 -1.547 -11.232 1.00 0.00 C ATOM 1405 CG ASP A 90 -6.152 -2.324 -12.515 1.00 0.00 C ATOM 1406 OD1 ASP A 90 -5.203 -3.139 -12.534 1.00 0.00 O ATOM 1407 OD2 ASP A 90 -6.840 -2.064 -13.527 1.00 0.00 O ATOM 0 H ASP A 90 -8.547 -1.747 -9.105 1.00 0.00 H new ATOM 0 HA ASP A 90 -6.601 -3.490 -10.392 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -7.165 -0.786 -11.411 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -5.496 -1.026 -10.935 1.00 0.00 H new ATOM 1412 N PRO A 91 -6.195 -3.090 -7.777 1.00 0.00 N ATOM 1413 CA PRO A 91 -5.558 -2.855 -6.490 1.00 0.00 C ATOM 1414 C PRO A 91 -4.087 -2.500 -6.646 1.00 0.00 C ATOM 1415 O PRO A 91 -3.544 -1.782 -5.813 1.00 0.00 O ATOM 1416 CB PRO A 91 -5.710 -4.136 -5.661 1.00 0.00 C ATOM 1417 CG PRO A 91 -6.468 -5.139 -6.527 1.00 0.00 C ATOM 1418 CD PRO A 91 -6.828 -4.401 -7.820 1.00 0.00 C ATOM 0 HA PRO A 91 -6.035 -2.009 -5.995 1.00 0.00 H new ATOM 0 HB2 PRO A 91 -4.734 -4.531 -5.378 1.00 0.00 H new ATOM 0 HB3 PRO A 91 -6.253 -3.936 -4.737 1.00 0.00 H new ATOM 0 HG2 PRO A 91 -5.854 -6.015 -6.737 1.00 0.00 H new ATOM 0 HG3 PRO A 91 -7.365 -5.493 -6.018 1.00 0.00 H new ATOM 0 HD2 PRO A 91 -6.484 -4.963 -8.689 1.00 0.00 H new ATOM 0 HD3 PRO A 91 -7.909 -4.300 -7.913 1.00 0.00 H new ATOM 1426 N GLU A 92 -3.441 -3.008 -7.698 1.00 0.00 N ATOM 1427 CA GLU A 92 -2.006 -2.964 -7.903 1.00 0.00 C ATOM 1428 C GLU A 92 -1.586 -1.922 -8.957 1.00 0.00 C ATOM 1429 O GLU A 92 -0.402 -1.822 -9.289 1.00 0.00 O ATOM 1430 CB GLU A 92 -1.466 -4.362 -8.217 1.00 0.00 C ATOM 1431 CG GLU A 92 -2.072 -5.544 -7.428 1.00 0.00 C ATOM 1432 CD GLU A 92 -3.323 -6.190 -8.045 1.00 0.00 C ATOM 1433 OE1 GLU A 92 -4.078 -5.541 -8.803 1.00 0.00 O ATOM 1434 OE2 GLU A 92 -3.561 -7.364 -7.662 1.00 0.00 O ATOM 0 H GLU A 92 -3.932 -3.479 -8.458 1.00 0.00 H new ATOM 0 HA GLU A 92 -1.552 -2.631 -6.970 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -1.617 -4.552 -9.280 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -0.390 -4.356 -8.044 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -1.307 -6.312 -7.317 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -2.323 -5.197 -6.426 1.00 0.00 H new ATOM 1441 N GLY A 93 -2.539 -1.150 -9.496 1.00 0.00 N ATOM 1442 CA GLY A 93 -2.302 -0.233 -10.604 1.00 0.00 C ATOM 1443 C GLY A 93 -2.777 1.170 -10.272 1.00 0.00 C ATOM 1444 O GLY A 93 -2.000 2.005 -9.811 1.00 0.00 O ATOM 0 H GLY A 93 -3.504 -1.149 -9.167 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -1.238 -0.212 -10.840 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -2.819 -0.593 -11.493 1.00 0.00 H new ATOM 1448 N GLU A 94 -4.053 1.459 -10.513 1.00 0.00 N ATOM 1449 CA GLU A 94 -4.653 2.766 -10.254 1.00 0.00 C ATOM 1450 C GLU A 94 -5.349 2.814 -8.888 1.00 0.00 C ATOM 1451 O GLU A 94 -5.710 3.900 -8.442 1.00 0.00 O ATOM 1452 CB GLU A 94 -5.595 3.130 -11.410 1.00 0.00 C ATOM 1453 CG GLU A 94 -4.831 3.575 -12.666 1.00 0.00 C ATOM 1454 CD GLU A 94 -4.317 5.011 -12.571 1.00 0.00 C ATOM 1455 OE1 GLU A 94 -3.234 5.218 -11.978 1.00 0.00 O ATOM 1456 OE2 GLU A 94 -4.954 5.921 -13.154 1.00 0.00 O ATOM 0 H GLU A 94 -4.710 0.781 -10.900 1.00 0.00 H new ATOM 0 HA GLU A 94 -3.865 3.517 -10.206 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -6.218 2.269 -11.652 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -6.265 3.929 -11.092 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -3.989 2.903 -12.830 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -5.484 3.485 -13.534 1.00 0.00 H new ATOM 1463 N GLY A 95 -5.470 1.684 -8.184 1.00 0.00 N ATOM 1464 CA GLY A 95 -5.955 1.591 -6.812 1.00 0.00 C ATOM 1465 C GLY A 95 -4.815 1.645 -5.785 1.00 0.00 C ATOM 1466 O GLY A 95 -4.958 1.122 -4.679 1.00 0.00 O ATOM 0 H GLY A 95 -5.221 0.775 -8.574 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -6.653 2.406 -6.620 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -6.509 0.661 -6.687 1.00 0.00 H new ATOM 1470 N TRP A 96 -3.673 2.262 -6.125 1.00 0.00 N ATOM 1471 CA TRP A 96 -2.660 2.623 -5.132 1.00 0.00 C ATOM 1472 C TRP A 96 -3.268 3.595 -4.124 1.00 0.00 C ATOM 1473 O TRP A 96 -4.257 4.244 -4.444 1.00 0.00 O ATOM 1474 CB TRP A 96 -1.406 3.217 -5.792 1.00 0.00 C ATOM 1475 CG TRP A 96 -1.521 4.493 -6.582 1.00 0.00 C ATOM 1476 CD1 TRP A 96 -2.132 4.604 -7.782 1.00 0.00 C ATOM 1477 CD2 TRP A 96 -1.033 5.842 -6.270 1.00 0.00 C ATOM 1478 NE1 TRP A 96 -2.083 5.907 -8.221 1.00 0.00 N ATOM 1479 CE2 TRP A 96 -1.429 6.716 -7.326 1.00 0.00 C ATOM 1480 CE3 TRP A 96 -0.382 6.446 -5.167 1.00 0.00 C ATOM 1481 CZ2 TRP A 96 -1.182 8.094 -7.298 1.00 0.00 C ATOM 1482 CZ3 TRP A 96 -0.156 7.842 -5.112 1.00 0.00 C ATOM 1483 CH2 TRP A 96 -0.534 8.656 -6.191 1.00 0.00 C ATOM 0 H TRP A 96 -3.432 2.520 -7.082 1.00 0.00 H new ATOM 0 HA TRP A 96 -2.341 1.720 -4.612 1.00 0.00 H new ATOM 0 HB2 TRP A 96 -0.670 3.385 -5.005 1.00 0.00 H new ATOM 0 HB3 TRP A 96 -0.995 2.457 -6.456 1.00 0.00 H new ATOM 0 HD1 TRP A 96 -2.592 3.788 -8.319 1.00 0.00 H new ATOM 0 HE1 TRP A 96 -2.483 6.231 -9.102 1.00 0.00 H new ATOM 0 HE3 TRP A 96 -0.050 5.826 -4.347 1.00 0.00 H new ATOM 0 HZ2 TRP A 96 -1.489 8.719 -8.124 1.00 0.00 H new ATOM 0 HZ3 TRP A 96 0.307 8.281 -4.240 1.00 0.00 H new ATOM 0 HH2 TRP A 96 -0.325 9.715 -6.168 1.00 0.00 H new ATOM 1494 N LEU A 97 -2.689 3.736 -2.930 1.00 0.00 N ATOM 1495 CA LEU A 97 -3.201 4.671 -1.929 1.00 0.00 C ATOM 1496 C LEU A 97 -2.290 5.881 -1.847 1.00 0.00 C ATOM 1497 O LEU A 97 -2.749 7.010 -1.980 1.00 0.00 O ATOM 1498 CB LEU A 97 -3.385 4.052 -0.533 1.00 0.00 C ATOM 1499 CG LEU A 97 -4.142 2.707 -0.462 1.00 0.00 C ATOM 1500 CD1 LEU A 97 -3.299 1.619 0.210 1.00 0.00 C ATOM 1501 CD2 LEU A 97 -5.406 2.777 0.403 1.00 0.00 C ATOM 0 H LEU A 97 -1.865 3.214 -2.634 1.00 0.00 H new ATOM 0 HA LEU A 97 -4.197 4.964 -2.261 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -2.399 3.910 -0.091 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -3.913 4.773 0.091 1.00 0.00 H new ATOM 0 HG LEU A 97 -4.377 2.483 -1.503 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -3.865 0.688 0.242 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -2.381 1.467 -0.358 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -3.050 1.927 1.226 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -5.894 1.802 0.414 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -5.135 3.059 1.421 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -6.089 3.520 -0.010 1.00 0.00 H new ATOM 1513 N PHE A 98 -0.992 5.679 -1.631 1.00 0.00 N ATOM 1514 CA PHE A 98 -0.053 6.785 -1.541 1.00 0.00 C ATOM 1515 C PHE A 98 1.309 6.357 -2.060 1.00 0.00 C ATOM 1516 O PHE A 98 1.576 5.173 -2.266 1.00 0.00 O ATOM 1517 CB PHE A 98 0.006 7.317 -0.101 1.00 0.00 C ATOM 1518 CG PHE A 98 0.479 6.325 0.945 1.00 0.00 C ATOM 1519 CD1 PHE A 98 1.855 6.110 1.142 1.00 0.00 C ATOM 1520 CD2 PHE A 98 -0.453 5.643 1.750 1.00 0.00 C ATOM 1521 CE1 PHE A 98 2.301 5.261 2.170 1.00 0.00 C ATOM 1522 CE2 PHE A 98 0.000 4.799 2.784 1.00 0.00 C ATOM 1523 CZ PHE A 98 1.372 4.611 2.995 1.00 0.00 C ATOM 0 H PHE A 98 -0.570 4.757 -1.516 1.00 0.00 H new ATOM 0 HA PHE A 98 -0.394 7.607 -2.171 1.00 0.00 H new ATOM 0 HB2 PHE A 98 0.667 8.183 -0.080 1.00 0.00 H new ATOM 0 HB3 PHE A 98 -0.988 7.667 0.179 1.00 0.00 H new ATOM 0 HD1 PHE A 98 2.573 6.600 0.500 1.00 0.00 H new ATOM 0 HD2 PHE A 98 -1.512 5.766 1.576 1.00 0.00 H new ATOM 0 HE1 PHE A 98 3.359 5.109 2.324 1.00 0.00 H new ATOM 0 HE2 PHE A 98 -0.715 4.294 3.417 1.00 0.00 H new ATOM 0 HZ PHE A 98 1.714 3.967 3.792 1.00 0.00 H new ATOM 1533 N LYS A 99 2.191 7.327 -2.263 1.00 0.00 N ATOM 1534 CA LYS A 99 3.572 7.099 -2.633 1.00 0.00 C ATOM 1535 C LYS A 99 4.435 7.875 -1.669 1.00 0.00 C ATOM 1536 O LYS A 99 4.047 8.914 -1.126 1.00 0.00 O ATOM 1537 CB LYS A 99 3.843 7.545 -4.071 1.00 0.00 C ATOM 1538 CG LYS A 99 3.263 6.612 -5.130 1.00 0.00 C ATOM 1539 CD LYS A 99 2.909 7.253 -6.473 1.00 0.00 C ATOM 1540 CE LYS A 99 4.162 7.524 -7.306 1.00 0.00 C ATOM 1541 NZ LYS A 99 3.840 8.211 -8.569 1.00 0.00 N ATOM 0 H LYS A 99 1.955 8.315 -2.172 1.00 0.00 H new ATOM 0 HA LYS A 99 3.798 6.034 -2.583 1.00 0.00 H new ATOM 0 HB2 LYS A 99 3.429 8.543 -4.215 1.00 0.00 H new ATOM 0 HB3 LYS A 99 4.920 7.622 -4.220 1.00 0.00 H new ATOM 0 HG2 LYS A 99 3.980 5.811 -5.311 1.00 0.00 H new ATOM 0 HG3 LYS A 99 2.364 6.149 -4.724 1.00 0.00 H new ATOM 0 HD2 LYS A 99 2.237 6.597 -7.026 1.00 0.00 H new ATOM 0 HD3 LYS A 99 2.374 8.187 -6.303 1.00 0.00 H new ATOM 0 HE2 LYS A 99 4.858 8.132 -6.728 1.00 0.00 H new ATOM 0 HE3 LYS A 99 4.666 6.582 -7.523 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 4.660 8.771 -8.879 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 3.607 7.507 -9.298 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 3.026 8.841 -8.424 1.00 0.00 H new ATOM 1555 N MET A 100 5.629 7.353 -1.470 1.00 0.00 N ATOM 1556 CA MET A 100 6.560 7.863 -0.497 1.00 0.00 C ATOM 1557 C MET A 100 7.951 7.741 -1.071 1.00 0.00 C ATOM 1558 O MET A 100 8.257 6.790 -1.793 1.00 0.00 O ATOM 1559 CB MET A 100 6.430 7.088 0.826 1.00 0.00 C ATOM 1560 CG MET A 100 6.066 5.597 0.700 1.00 0.00 C ATOM 1561 SD MET A 100 6.144 4.635 2.233 1.00 0.00 S ATOM 1562 CE MET A 100 7.883 4.790 2.732 1.00 0.00 C ATOM 0 H MET A 100 5.980 6.550 -1.991 1.00 0.00 H new ATOM 0 HA MET A 100 6.348 8.910 -0.278 1.00 0.00 H new ATOM 0 HB2 MET A 100 7.374 7.167 1.365 1.00 0.00 H new ATOM 0 HB3 MET A 100 5.672 7.577 1.438 1.00 0.00 H new ATOM 0 HG2 MET A 100 5.056 5.522 0.297 1.00 0.00 H new ATOM 0 HG3 MET A 100 6.735 5.139 -0.029 1.00 0.00 H new ATOM 0 HE1 MET A 100 8.284 3.804 2.966 1.00 0.00 H new ATOM 0 HE2 MET A 100 8.457 5.231 1.917 1.00 0.00 H new ATOM 0 HE3 MET A 100 7.953 5.429 3.612 1.00 0.00 H new ATOM 1572 N GLU A 101 8.788 8.709 -0.722 1.00 0.00 N ATOM 1573 CA GLU A 101 10.222 8.569 -0.824 1.00 0.00 C ATOM 1574 C GLU A 101 10.620 7.443 0.136 1.00 0.00 C ATOM 1575 O GLU A 101 10.212 7.449 1.305 1.00 0.00 O ATOM 1576 CB GLU A 101 10.864 9.909 -0.441 1.00 0.00 C ATOM 1577 CG GLU A 101 12.380 9.911 -0.682 1.00 0.00 C ATOM 1578 CD GLU A 101 13.044 11.030 0.121 1.00 0.00 C ATOM 1579 OE1 GLU A 101 13.022 12.193 -0.345 1.00 0.00 O ATOM 1580 OE2 GLU A 101 13.548 10.721 1.233 1.00 0.00 O ATOM 0 H GLU A 101 8.484 9.613 -0.360 1.00 0.00 H new ATOM 0 HA GLU A 101 10.557 8.319 -1.831 1.00 0.00 H new ATOM 0 HB2 GLU A 101 10.404 10.710 -1.020 1.00 0.00 H new ATOM 0 HB3 GLU A 101 10.664 10.120 0.610 1.00 0.00 H new ATOM 0 HG2 GLU A 101 12.802 8.948 -0.394 1.00 0.00 H new ATOM 0 HG3 GLU A 101 12.586 10.045 -1.744 1.00 0.00 H new ATOM 1587 N ILE A 102 11.379 6.472 -0.362 1.00 0.00 N ATOM 1588 CA ILE A 102 12.008 5.443 0.456 1.00 0.00 C ATOM 1589 C ILE A 102 13.295 6.013 1.061 1.00 0.00 C ATOM 1590 O ILE A 102 14.083 6.652 0.361 1.00 0.00 O ATOM 1591 CB ILE A 102 12.278 4.168 -0.378 1.00 0.00 C ATOM 1592 CG1 ILE A 102 12.821 4.487 -1.791 1.00 0.00 C ATOM 1593 CG2 ILE A 102 10.977 3.356 -0.514 1.00 0.00 C ATOM 1594 CD1 ILE A 102 13.642 3.371 -2.414 1.00 0.00 C ATOM 0 H ILE A 102 11.577 6.377 -1.358 1.00 0.00 H new ATOM 0 HA ILE A 102 11.339 5.151 1.266 1.00 0.00 H new ATOM 0 HB ILE A 102 13.040 3.595 0.150 1.00 0.00 H new ATOM 0 HG12 ILE A 102 11.981 4.713 -2.447 1.00 0.00 H new ATOM 0 HG13 ILE A 102 13.435 5.386 -1.737 1.00 0.00 H new ATOM 0 HG21 ILE A 102 11.168 2.458 -1.102 1.00 0.00 H new ATOM 0 HG22 ILE A 102 10.620 3.072 0.476 1.00 0.00 H new ATOM 0 HG23 ILE A 102 10.220 3.962 -1.013 1.00 0.00 H new ATOM 0 HD11 ILE A 102 13.983 3.678 -3.403 1.00 0.00 H new ATOM 0 HD12 ILE A 102 14.505 3.158 -1.783 1.00 0.00 H new ATOM 0 HD13 ILE A 102 13.028 2.475 -2.504 1.00 0.00 H new ATOM 1606 N SER A 103 13.518 5.745 2.346 1.00 0.00 N ATOM 1607 CA SER A 103 14.788 5.963 3.034 1.00 0.00 C ATOM 1608 C SER A 103 15.565 4.652 3.200 1.00 0.00 C ATOM 1609 O SER A 103 16.792 4.665 3.361 1.00 0.00 O ATOM 1610 CB SER A 103 14.500 6.595 4.402 1.00 0.00 C ATOM 1611 OG SER A 103 14.758 7.984 4.339 1.00 0.00 O ATOM 0 H SER A 103 12.797 5.358 2.956 1.00 0.00 H new ATOM 0 HA SER A 103 15.409 6.631 2.437 1.00 0.00 H new ATOM 0 HB2 SER A 103 13.462 6.419 4.686 1.00 0.00 H new ATOM 0 HB3 SER A 103 15.123 6.132 5.168 1.00 0.00 H new ATOM 0 HG SER A 103 14.573 8.391 5.211 1.00 0.00 H new ATOM 1617 N ASP A 104 14.866 3.518 3.138 1.00 0.00 N ATOM 1618 CA ASP A 104 15.404 2.208 3.446 1.00 0.00 C ATOM 1619 C ASP A 104 14.932 1.161 2.450 1.00 0.00 C ATOM 1620 O ASP A 104 14.397 0.112 2.790 1.00 0.00 O ATOM 1621 CB ASP A 104 15.220 1.818 4.923 1.00 0.00 C ATOM 1622 CG ASP A 104 13.830 2.036 5.515 1.00 0.00 C ATOM 1623 OD1 ASP A 104 12.822 1.562 4.950 1.00 0.00 O ATOM 1624 OD2 ASP A 104 13.760 2.706 6.568 1.00 0.00 O ATOM 0 H ASP A 104 13.884 3.493 2.864 1.00 0.00 H new ATOM 0 HA ASP A 104 16.486 2.260 3.322 1.00 0.00 H new ATOM 0 HB2 ASP A 104 15.476 0.764 5.032 1.00 0.00 H new ATOM 0 HB3 ASP A 104 15.937 2.384 5.518 1.00 0.00 H new ATOM 1629 N GLU A 105 15.356 1.358 1.201 1.00 0.00 N ATOM 1630 CA GLU A 105 15.408 0.358 0.130 1.00 0.00 C ATOM 1631 C GLU A 105 16.195 -0.915 0.533 1.00 0.00 C ATOM 1632 O GLU A 105 16.211 -1.899 -0.201 1.00 0.00 O ATOM 1633 CB GLU A 105 15.956 1.077 -1.132 1.00 0.00 C ATOM 1634 CG GLU A 105 17.043 0.363 -1.949 1.00 0.00 C ATOM 1635 CD GLU A 105 17.616 1.217 -3.087 1.00 0.00 C ATOM 1636 OE1 GLU A 105 18.022 2.379 -2.840 1.00 0.00 O ATOM 1637 OE2 GLU A 105 17.731 0.702 -4.224 1.00 0.00 O ATOM 0 H GLU A 105 15.691 2.270 0.891 1.00 0.00 H new ATOM 0 HA GLU A 105 14.413 -0.032 -0.084 1.00 0.00 H new ATOM 0 HB2 GLU A 105 15.115 1.276 -1.796 1.00 0.00 H new ATOM 0 HB3 GLU A 105 16.352 2.044 -0.821 1.00 0.00 H new ATOM 0 HG2 GLU A 105 17.854 0.070 -1.282 1.00 0.00 H new ATOM 0 HG3 GLU A 105 16.628 -0.554 -2.368 1.00 0.00 H new ATOM 1644 N GLY A 106 16.813 -0.923 1.712 1.00 0.00 N ATOM 1645 CA GLY A 106 17.549 -2.038 2.273 1.00 0.00 C ATOM 1646 C GLY A 106 16.673 -2.911 3.169 1.00 0.00 C ATOM 1647 O GLY A 106 16.964 -4.104 3.268 1.00 0.00 O ATOM 0 H GLY A 106 16.810 -0.109 2.327 1.00 0.00 H new ATOM 0 HA2 GLY A 106 17.959 -2.645 1.465 1.00 0.00 H new ATOM 0 HA3 GLY A 106 18.394 -1.661 2.849 1.00 0.00 H new ATOM 1651 N GLU A 107 15.599 -2.375 3.773 1.00 0.00 N ATOM 1652 CA GLU A 107 14.652 -3.190 4.540 1.00 0.00 C ATOM 1653 C GLU A 107 13.736 -3.993 3.611 1.00 0.00 C ATOM 1654 O GLU A 107 12.993 -4.846 4.092 1.00 0.00 O ATOM 1655 CB GLU A 107 13.803 -2.363 5.537 1.00 0.00 C ATOM 1656 CG GLU A 107 14.029 -2.815 6.999 1.00 0.00 C ATOM 1657 CD GLU A 107 12.811 -2.646 7.920 1.00 0.00 C ATOM 1658 OE1 GLU A 107 11.971 -1.767 7.648 1.00 0.00 O ATOM 1659 OE2 GLU A 107 12.732 -3.348 8.964 1.00 0.00 O ATOM 0 H GLU A 107 15.368 -1.382 3.743 1.00 0.00 H new ATOM 0 HA GLU A 107 15.259 -3.877 5.130 1.00 0.00 H new ATOM 0 HB2 GLU A 107 14.055 -1.307 5.440 1.00 0.00 H new ATOM 0 HB3 GLU A 107 12.747 -2.463 5.285 1.00 0.00 H new ATOM 0 HG2 GLU A 107 14.324 -3.864 6.999 1.00 0.00 H new ATOM 0 HG3 GLU A 107 14.863 -2.249 7.415 1.00 0.00 H new ATOM 1666 N LEU A 108 13.816 -3.785 2.289 1.00 0.00 N ATOM 1667 CA LEU A 108 13.117 -4.603 1.299 1.00 0.00 C ATOM 1668 C LEU A 108 13.437 -6.089 1.481 1.00 0.00 C ATOM 1669 O LEU A 108 12.664 -6.932 1.053 1.00 0.00 O ATOM 1670 CB LEU A 108 13.470 -4.164 -0.134 1.00 0.00 C ATOM 1671 CG LEU A 108 13.129 -2.716 -0.501 1.00 0.00 C ATOM 1672 CD1 LEU A 108 13.461 -2.444 -1.971 1.00 0.00 C ATOM 1673 CD2 LEU A 108 11.665 -2.361 -0.281 1.00 0.00 C ATOM 0 H LEU A 108 14.374 -3.037 1.878 1.00 0.00 H new ATOM 0 HA LEU A 108 12.048 -4.456 1.456 1.00 0.00 H new ATOM 0 HB2 LEU A 108 14.539 -4.313 -0.284 1.00 0.00 H new ATOM 0 HB3 LEU A 108 12.955 -4.825 -0.831 1.00 0.00 H new ATOM 0 HG LEU A 108 13.732 -2.099 0.164 1.00 0.00 H new ATOM 0 HD11 LEU A 108 13.213 -1.411 -2.215 1.00 0.00 H new ATOM 0 HD12 LEU A 108 14.525 -2.611 -2.141 1.00 0.00 H new ATOM 0 HD13 LEU A 108 12.882 -3.116 -2.605 1.00 0.00 H new ATOM 0 HD21 LEU A 108 11.497 -1.321 -0.562 1.00 0.00 H new ATOM 0 HD22 LEU A 108 11.038 -3.008 -0.894 1.00 0.00 H new ATOM 0 HD23 LEU A 108 11.411 -2.499 0.770 1.00 0.00 H new ATOM 1685 N GLU A 109 14.552 -6.420 2.123 1.00 0.00 N ATOM 1686 CA GLU A 109 14.990 -7.779 2.388 1.00 0.00 C ATOM 1687 C GLU A 109 14.187 -8.466 3.496 1.00 0.00 C ATOM 1688 O GLU A 109 14.206 -9.695 3.550 1.00 0.00 O ATOM 1689 CB GLU A 109 16.464 -7.699 2.787 1.00 0.00 C ATOM 1690 CG GLU A 109 17.343 -7.293 1.602 1.00 0.00 C ATOM 1691 CD GLU A 109 17.824 -8.503 0.823 1.00 0.00 C ATOM 1692 OE1 GLU A 109 16.978 -9.305 0.366 1.00 0.00 O ATOM 1693 OE2 GLU A 109 19.056 -8.602 0.628 1.00 0.00 O ATOM 0 H GLU A 109 15.198 -5.719 2.486 1.00 0.00 H new ATOM 0 HA GLU A 109 14.836 -8.381 1.493 1.00 0.00 H new ATOM 0 HB2 GLU A 109 16.585 -6.978 3.595 1.00 0.00 H new ATOM 0 HB3 GLU A 109 16.791 -8.665 3.170 1.00 0.00 H new ATOM 0 HG2 GLU A 109 16.781 -6.634 0.941 1.00 0.00 H new ATOM 0 HG3 GLU A 109 18.202 -6.727 1.962 1.00 0.00 H new ATOM 1700 N ASP A 110 13.515 -7.699 4.364 1.00 0.00 N ATOM 1701 CA ASP A 110 12.559 -8.190 5.369 1.00 0.00 C ATOM 1702 C ASP A 110 11.187 -8.420 4.733 1.00 0.00 C ATOM 1703 O ASP A 110 10.366 -9.213 5.204 1.00 0.00 O ATOM 1704 CB ASP A 110 12.438 -7.132 6.481 1.00 0.00 C ATOM 1705 CG ASP A 110 11.650 -7.574 7.719 1.00 0.00 C ATOM 1706 OD1 ASP A 110 10.399 -7.602 7.714 1.00 0.00 O ATOM 1707 OD2 ASP A 110 12.298 -7.761 8.776 1.00 0.00 O ATOM 0 H ASP A 110 13.624 -6.685 4.388 1.00 0.00 H new ATOM 0 HA ASP A 110 12.913 -9.136 5.778 1.00 0.00 H new ATOM 0 HB2 ASP A 110 13.441 -6.840 6.793 1.00 0.00 H new ATOM 0 HB3 ASP A 110 11.962 -6.244 6.065 1.00 0.00 H new ATOM 1712 N LEU A 111 10.931 -7.713 3.630 1.00 0.00 N ATOM 1713 CA LEU A 111 9.653 -7.747 2.960 1.00 0.00 C ATOM 1714 C LEU A 111 9.635 -8.935 2.011 1.00 0.00 C ATOM 1715 O LEU A 111 10.667 -9.413 1.531 1.00 0.00 O ATOM 1716 CB LEU A 111 9.411 -6.448 2.192 1.00 0.00 C ATOM 1717 CG LEU A 111 9.605 -5.134 2.972 1.00 0.00 C ATOM 1718 CD1 LEU A 111 8.878 -4.036 2.195 1.00 0.00 C ATOM 1719 CD2 LEU A 111 9.118 -5.159 4.429 1.00 0.00 C ATOM 0 H LEU A 111 11.615 -7.102 3.184 1.00 0.00 H new ATOM 0 HA LEU A 111 8.857 -7.850 3.697 1.00 0.00 H new ATOM 0 HB2 LEU A 111 10.078 -6.433 1.330 1.00 0.00 H new ATOM 0 HB3 LEU A 111 8.392 -6.467 1.806 1.00 0.00 H new ATOM 0 HG LEU A 111 10.678 -4.957 3.049 1.00 0.00 H new ATOM 0 HD11 LEU A 111 8.991 -3.085 2.716 1.00 0.00 H new ATOM 0 HD12 LEU A 111 9.304 -3.955 1.195 1.00 0.00 H new ATOM 0 HD13 LEU A 111 7.819 -4.284 2.119 1.00 0.00 H new ATOM 0 HD21 LEU A 111 9.299 -4.188 4.890 1.00 0.00 H new ATOM 0 HD22 LEU A 111 8.050 -5.378 4.452 1.00 0.00 H new ATOM 0 HD23 LEU A 111 9.658 -5.929 4.980 1.00 0.00 H new ATOM 1731 N LEU A 112 8.436 -9.408 1.694 1.00 0.00 N ATOM 1732 CA LEU A 112 8.262 -10.571 0.867 1.00 0.00 C ATOM 1733 C LEU A 112 8.537 -10.175 -0.569 1.00 0.00 C ATOM 1734 O LEU A 112 8.006 -9.174 -1.064 1.00 0.00 O ATOM 1735 CB LEU A 112 6.835 -11.111 0.978 1.00 0.00 C ATOM 1736 CG LEU A 112 6.288 -11.344 2.393 1.00 0.00 C ATOM 1737 CD1 LEU A 112 7.283 -11.955 3.381 1.00 0.00 C ATOM 1738 CD2 LEU A 112 5.580 -10.146 2.970 1.00 0.00 C ATOM 0 H LEU A 112 7.562 -8.987 2.009 1.00 0.00 H new ATOM 0 HA LEU A 112 8.948 -11.352 1.194 1.00 0.00 H new ATOM 0 HB2 LEU A 112 6.169 -10.416 0.467 1.00 0.00 H new ATOM 0 HB3 LEU A 112 6.787 -12.055 0.436 1.00 0.00 H new ATOM 0 HG LEU A 112 5.532 -12.115 2.242 1.00 0.00 H new ATOM 0 HD11 LEU A 112 6.802 -12.080 4.351 1.00 0.00 H new ATOM 0 HD12 LEU A 112 7.613 -12.926 3.012 1.00 0.00 H new ATOM 0 HD13 LEU A 112 8.144 -11.295 3.485 1.00 0.00 H new ATOM 0 HD21 LEU A 112 5.220 -10.383 3.971 1.00 0.00 H new ATOM 0 HD22 LEU A 112 6.272 -9.305 3.023 1.00 0.00 H new ATOM 0 HD23 LEU A 112 4.735 -9.881 2.334 1.00 0.00 H new ATOM 1750 N ASP A 113 9.306 -11.002 -1.267 1.00 0.00 N ATOM 1751 CA ASP A 113 9.222 -11.051 -2.715 1.00 0.00 C ATOM 1752 C ASP A 113 7.838 -11.491 -3.149 1.00 0.00 C ATOM 1753 O ASP A 113 6.946 -11.786 -2.363 1.00 0.00 O ATOM 1754 CB ASP A 113 10.291 -11.965 -3.328 1.00 0.00 C ATOM 1755 CG ASP A 113 11.000 -11.280 -4.490 1.00 0.00 C ATOM 1756 OD1 ASP A 113 10.331 -10.663 -5.342 1.00 0.00 O ATOM 1757 OD2 ASP A 113 12.249 -11.219 -4.460 1.00 0.00 O ATOM 0 H ASP A 113 9.987 -11.640 -0.856 1.00 0.00 H new ATOM 0 HA ASP A 113 9.409 -10.043 -3.084 1.00 0.00 H new ATOM 0 HB2 ASP A 113 11.019 -12.240 -2.565 1.00 0.00 H new ATOM 0 HB3 ASP A 113 9.828 -12.889 -3.675 1.00 0.00 H new ATOM 1762 N GLU A 114 7.671 -11.543 -4.447 1.00 0.00 N ATOM 1763 CA GLU A 114 6.383 -11.703 -5.091 1.00 0.00 C ATOM 1764 C GLU A 114 5.861 -13.126 -4.938 1.00 0.00 C ATOM 1765 O GLU A 114 4.682 -13.320 -4.665 1.00 0.00 O ATOM 1766 CB GLU A 114 6.550 -11.291 -6.548 1.00 0.00 C ATOM 1767 CG GLU A 114 5.212 -11.228 -7.287 1.00 0.00 C ATOM 1768 CD GLU A 114 5.364 -10.259 -8.470 1.00 0.00 C ATOM 1769 OE1 GLU A 114 5.838 -10.669 -9.553 1.00 0.00 O ATOM 1770 OE2 GLU A 114 5.125 -9.034 -8.302 1.00 0.00 O ATOM 0 H GLU A 114 8.446 -11.474 -5.106 1.00 0.00 H new ATOM 0 HA GLU A 114 5.632 -11.069 -4.620 1.00 0.00 H new ATOM 0 HB2 GLU A 114 7.035 -10.316 -6.595 1.00 0.00 H new ATOM 0 HB3 GLU A 114 7.208 -11.999 -7.051 1.00 0.00 H new ATOM 0 HG2 GLU A 114 4.926 -12.218 -7.641 1.00 0.00 H new ATOM 0 HG3 GLU A 114 4.423 -10.889 -6.616 1.00 0.00 H new ATOM 1777 N GLN A 115 6.742 -14.120 -5.053 1.00 0.00 N ATOM 1778 CA GLN A 115 6.418 -15.495 -4.773 1.00 0.00 C ATOM 1779 C GLN A 115 6.142 -15.644 -3.270 1.00 0.00 C ATOM 1780 O GLN A 115 5.130 -16.224 -2.865 1.00 0.00 O ATOM 1781 CB GLN A 115 7.627 -16.327 -5.230 1.00 0.00 C ATOM 1782 CG GLN A 115 7.628 -17.736 -4.650 1.00 0.00 C ATOM 1783 CD GLN A 115 8.689 -18.606 -5.306 1.00 0.00 C ATOM 1784 OE1 GLN A 115 8.413 -19.272 -6.301 1.00 0.00 O ATOM 1785 NE2 GLN A 115 9.909 -18.585 -4.796 1.00 0.00 N ATOM 0 H GLN A 115 7.708 -13.978 -5.347 1.00 0.00 H new ATOM 0 HA GLN A 115 5.524 -15.835 -5.296 1.00 0.00 H new ATOM 0 HB2 GLN A 115 7.630 -16.387 -6.318 1.00 0.00 H new ATOM 0 HB3 GLN A 115 8.545 -15.818 -4.936 1.00 0.00 H new ATOM 0 HG2 GLN A 115 7.807 -17.689 -3.576 1.00 0.00 H new ATOM 0 HG3 GLN A 115 6.647 -18.189 -4.790 1.00 0.00 H new ATOM 0 HE21 GLN A 115 10.106 -18.022 -3.969 1.00 0.00 H new ATOM 0 HE22 GLN A 115 10.653 -19.132 -5.230 1.00 0.00 H new ATOM 1794 N ALA A 116 7.065 -15.107 -2.460 1.00 0.00 N ATOM 1795 CA ALA A 116 7.061 -15.158 -1.002 1.00 0.00 C ATOM 1796 C ALA A 116 5.785 -14.538 -0.424 1.00 0.00 C ATOM 1797 O ALA A 116 5.270 -14.989 0.593 1.00 0.00 O ATOM 1798 CB ALA A 116 8.301 -14.416 -0.488 1.00 0.00 C ATOM 0 H ALA A 116 7.871 -14.602 -2.828 1.00 0.00 H new ATOM 0 HA ALA A 116 7.085 -16.199 -0.679 1.00 0.00 H new ATOM 0 HB1 ALA A 116 8.316 -14.443 0.602 1.00 0.00 H new ATOM 0 HB2 ALA A 116 9.199 -14.897 -0.875 1.00 0.00 H new ATOM 0 HB3 ALA A 116 8.270 -13.380 -0.825 1.00 0.00 H new ATOM 1804 N TYR A 117 5.252 -13.512 -1.077 1.00 0.00 N ATOM 1805 CA TYR A 117 4.010 -12.863 -0.704 1.00 0.00 C ATOM 1806 C TYR A 117 2.804 -13.812 -0.765 1.00 0.00 C ATOM 1807 O TYR A 117 1.911 -13.729 0.084 1.00 0.00 O ATOM 1808 CB TYR A 117 3.865 -11.671 -1.646 1.00 0.00 C ATOM 1809 CG TYR A 117 2.478 -11.090 -1.737 1.00 0.00 C ATOM 1810 CD1 TYR A 117 1.800 -10.619 -0.595 1.00 0.00 C ATOM 1811 CD2 TYR A 117 1.840 -11.111 -2.987 1.00 0.00 C ATOM 1812 CE1 TYR A 117 0.452 -10.234 -0.690 1.00 0.00 C ATOM 1813 CE2 TYR A 117 0.497 -10.742 -3.095 1.00 0.00 C ATOM 1814 CZ TYR A 117 -0.220 -10.368 -1.934 1.00 0.00 C ATOM 1815 OH TYR A 117 -1.564 -10.192 -2.011 1.00 0.00 O ATOM 0 H TYR A 117 5.687 -13.101 -1.903 1.00 0.00 H new ATOM 0 HA TYR A 117 4.037 -12.539 0.336 1.00 0.00 H new ATOM 0 HB2 TYR A 117 4.549 -10.887 -1.322 1.00 0.00 H new ATOM 0 HB3 TYR A 117 4.180 -11.977 -2.644 1.00 0.00 H new ATOM 0 HD1 TYR A 117 2.316 -10.554 0.352 1.00 0.00 H new ATOM 0 HD2 TYR A 117 2.388 -11.413 -3.867 1.00 0.00 H new ATOM 0 HE1 TYR A 117 -0.067 -9.841 0.172 1.00 0.00 H new ATOM 0 HE2 TYR A 117 0.009 -10.742 -4.059 1.00 0.00 H new ATOM 0 HH TYR A 117 -1.865 -9.641 -1.259 1.00 0.00 H new ATOM 1825 N GLN A 118 2.752 -14.705 -1.757 1.00 0.00 N ATOM 1826 CA GLN A 118 1.695 -15.716 -1.835 1.00 0.00 C ATOM 1827 C GLN A 118 1.956 -16.779 -0.774 1.00 0.00 C ATOM 1828 O GLN A 118 1.060 -17.132 -0.015 1.00 0.00 O ATOM 1829 CB GLN A 118 1.590 -16.370 -3.224 1.00 0.00 C ATOM 1830 CG GLN A 118 1.990 -15.508 -4.428 1.00 0.00 C ATOM 1831 CD GLN A 118 1.048 -14.345 -4.776 1.00 0.00 C ATOM 1832 OE1 GLN A 118 1.081 -13.830 -5.889 1.00 0.00 O ATOM 1833 NE2 GLN A 118 0.184 -13.879 -3.888 1.00 0.00 N ATOM 0 H GLN A 118 3.430 -14.748 -2.518 1.00 0.00 H new ATOM 0 HA GLN A 118 0.742 -15.217 -1.658 1.00 0.00 H new ATOM 0 HB2 GLN A 118 2.212 -17.265 -3.226 1.00 0.00 H new ATOM 0 HB3 GLN A 118 0.560 -16.697 -3.368 1.00 0.00 H new ATOM 0 HG2 GLN A 118 2.983 -15.100 -4.241 1.00 0.00 H new ATOM 0 HG3 GLN A 118 2.071 -16.156 -5.301 1.00 0.00 H new ATOM 0 HE21 GLN A 118 0.138 -14.291 -2.956 1.00 0.00 H new ATOM 0 HE22 GLN A 118 -0.436 -13.108 -4.136 1.00 0.00 H new ATOM 1842 N GLU A 119 3.205 -17.234 -0.684 1.00 0.00 N ATOM 1843 CA GLU A 119 3.673 -18.198 0.293 1.00 0.00 C ATOM 1844 C GLU A 119 3.221 -17.821 1.705 1.00 0.00 C ATOM 1845 O GLU A 119 2.702 -18.673 2.424 1.00 0.00 O ATOM 1846 CB GLU A 119 5.204 -18.281 0.174 1.00 0.00 C ATOM 1847 CG GLU A 119 5.755 -19.529 0.849 1.00 0.00 C ATOM 1848 CD GLU A 119 7.250 -19.446 1.179 1.00 0.00 C ATOM 1849 OE1 GLU A 119 7.695 -18.410 1.735 1.00 0.00 O ATOM 1850 OE2 GLU A 119 7.977 -20.441 0.966 1.00 0.00 O ATOM 0 H GLU A 119 3.942 -16.925 -1.318 1.00 0.00 H new ATOM 0 HA GLU A 119 3.241 -19.179 0.096 1.00 0.00 H new ATOM 0 HB2 GLU A 119 5.488 -18.281 -0.878 1.00 0.00 H new ATOM 0 HB3 GLU A 119 5.652 -17.396 0.625 1.00 0.00 H new ATOM 0 HG2 GLU A 119 5.199 -19.708 1.769 1.00 0.00 H new ATOM 0 HG3 GLU A 119 5.583 -20.388 0.200 1.00 0.00 H new