USER MOD reduce.3.24.130724 H: found=0, std=0, add=534, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 534 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 34 GLN : amide:sc= -1.54 K(o=-1.5,f=-5.8!) USER MOD Set 1.2: A 37 LYS NZ :NH3+ -167:sc= 0 (180deg=0) USER MOD Single : A 2 GLN : amide:sc= -9.95! C(o=-10!,f=-11!) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 MET CE :methyl 179:sc= -2.63 (180deg=-2.7) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 11 CYS SG : rot 180:sc= 0.226 USER MOD Single : A 12 ASN : amide:sc= -2.9! C(o=-2.9!,f=-3.5!) USER MOD Single : A 13 HIS : no HD1:sc= -1.18 X(o=-1.2,f=-0.89) USER MOD Single : A 14 CYS SG : rot 82:sc= 0.119 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 ASN : amide:sc= -4.42! C(o=-4.4!,f=-5!) USER MOD Single : A 50 GLN : amide:sc= -1.33 K(o=-1.3,f=-4!) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 CYS SG : rot 68:sc= -1.05! USER MOD Single : A 56 GLN : amide:sc= -0.0615 X(o=-0.062,f=0) USER MOD Single : A 59 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 TYR OH : rot 30:sc= 0 USER MOD Single : A 64 GLN : amide:sc= 0.25 X(o=0.25,f=0) USER MOD ----------------------------------------------------------------- ATOM 11 N GLN A 2 -6.722 -4.120 -4.693 1.00 0.00 N ATOM 12 CA GLN A 2 -7.321 -3.324 -3.635 1.00 0.00 C ATOM 13 C GLN A 2 -6.568 -2.002 -3.473 1.00 0.00 C ATOM 14 O GLN A 2 -5.355 -1.948 -3.666 1.00 0.00 O ATOM 15 CB GLN A 2 -7.355 -4.101 -2.317 1.00 0.00 C ATOM 16 CG GLN A 2 -7.727 -3.184 -1.150 1.00 0.00 C ATOM 17 CD GLN A 2 -8.774 -3.842 -0.248 1.00 0.00 C ATOM 18 OE1 GLN A 2 -8.622 -4.963 0.208 1.00 0.00 O ATOM 19 NE2 GLN A 2 -9.843 -3.084 -0.018 1.00 0.00 N ATOM 0 HA GLN A 2 -8.351 -3.101 -3.914 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -8.076 -4.915 -2.389 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -6.381 -4.554 -2.132 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -6.836 -2.950 -0.568 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -8.114 -2.240 -1.534 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -9.907 -2.154 -0.431 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -10.599 -3.433 0.571 1.00 0.00 H new ATOM 28 N GLU A 3 -7.319 -0.970 -3.120 1.00 0.00 N ATOM 29 CA GLU A 3 -6.738 0.348 -2.930 1.00 0.00 C ATOM 30 C GLU A 3 -7.188 0.939 -1.592 1.00 0.00 C ATOM 31 O GLU A 3 -8.254 0.594 -1.084 1.00 0.00 O ATOM 32 CB GLU A 3 -7.098 1.279 -4.089 1.00 0.00 C ATOM 33 CG GLU A 3 -8.615 1.362 -4.276 1.00 0.00 C ATOM 34 CD GLU A 3 -9.010 1.014 -5.712 1.00 0.00 C ATOM 35 OE1 GLU A 3 -8.742 1.858 -6.594 1.00 0.00 O ATOM 36 OE2 GLU A 3 -9.572 -0.087 -5.896 1.00 0.00 O ATOM 0 H GLU A 3 -8.325 -1.020 -2.960 1.00 0.00 H new ATOM 0 HA GLU A 3 -5.653 0.246 -2.913 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -6.697 2.274 -3.899 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -6.634 0.919 -5.007 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -9.108 0.680 -3.584 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -8.960 2.367 -4.033 1.00 0.00 H new ATOM 43 N PHE A 4 -6.353 1.820 -1.060 1.00 0.00 N ATOM 44 CA PHE A 4 -6.652 2.462 0.209 1.00 0.00 C ATOM 45 C PHE A 4 -6.525 3.983 0.097 1.00 0.00 C ATOM 46 O PHE A 4 -5.697 4.486 -0.661 1.00 0.00 O ATOM 47 CB PHE A 4 -5.627 1.949 1.222 1.00 0.00 C ATOM 48 CG PHE A 4 -5.112 0.539 0.927 1.00 0.00 C ATOM 49 CD1 PHE A 4 -4.277 0.326 -0.125 1.00 0.00 C ATOM 50 CD2 PHE A 4 -5.490 -0.502 1.717 1.00 0.00 C ATOM 51 CE1 PHE A 4 -3.800 -0.983 -0.399 1.00 0.00 C ATOM 52 CE2 PHE A 4 -5.013 -1.811 1.443 1.00 0.00 C ATOM 53 CZ PHE A 4 -4.177 -2.024 0.391 1.00 0.00 C ATOM 0 H PHE A 4 -5.470 2.104 -1.484 1.00 0.00 H new ATOM 0 HA PHE A 4 -7.673 2.231 0.512 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -4.781 2.636 1.247 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -6.076 1.960 2.215 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -3.977 1.152 -0.752 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -6.153 -0.333 2.553 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -3.138 -1.152 -1.235 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -5.314 -2.638 2.070 1.00 0.00 H new ATOM 0 HZ PHE A 4 -3.813 -3.019 0.183 1.00 0.00 H new ATOM 63 N SER A 5 -7.357 4.672 0.864 1.00 0.00 N ATOM 64 CA SER A 5 -7.348 6.125 0.860 1.00 0.00 C ATOM 65 C SER A 5 -6.574 6.646 2.073 1.00 0.00 C ATOM 66 O SER A 5 -6.839 6.242 3.204 1.00 0.00 O ATOM 67 CB SER A 5 -8.771 6.685 0.859 1.00 0.00 C ATOM 68 OG SER A 5 -8.836 7.982 1.445 1.00 0.00 O ATOM 0 H SER A 5 -8.042 4.251 1.492 1.00 0.00 H new ATOM 0 HA SER A 5 -6.854 6.461 -0.051 1.00 0.00 H new ATOM 0 HB2 SER A 5 -9.141 6.731 -0.165 1.00 0.00 H new ATOM 0 HB3 SER A 5 -9.427 6.007 1.405 1.00 0.00 H new ATOM 0 HG SER A 5 -9.761 8.305 1.424 1.00 0.00 H new ATOM 74 N VAL A 6 -5.632 7.536 1.796 1.00 0.00 N ATOM 75 CA VAL A 6 -4.818 8.116 2.850 1.00 0.00 C ATOM 76 C VAL A 6 -5.301 9.540 3.136 1.00 0.00 C ATOM 77 O VAL A 6 -5.697 10.260 2.221 1.00 0.00 O ATOM 78 CB VAL A 6 -3.339 8.053 2.464 1.00 0.00 C ATOM 79 CG1 VAL A 6 -2.500 8.973 3.354 1.00 0.00 C ATOM 80 CG2 VAL A 6 -2.819 6.615 2.519 1.00 0.00 C ATOM 0 H VAL A 6 -5.415 7.869 0.857 1.00 0.00 H new ATOM 0 HA VAL A 6 -4.924 7.545 3.772 1.00 0.00 H new ATOM 0 HB VAL A 6 -3.246 8.404 1.436 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -1.453 8.909 3.058 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -2.846 10.001 3.244 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -2.603 8.665 4.395 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -1.765 6.598 2.240 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -2.933 6.225 3.531 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -3.388 5.996 1.825 1.00 0.00 H new ATOM 90 N LYS A 7 -5.250 9.903 4.409 1.00 0.00 N ATOM 91 CA LYS A 7 -5.677 11.228 4.827 1.00 0.00 C ATOM 92 C LYS A 7 -4.776 11.715 5.963 1.00 0.00 C ATOM 93 O LYS A 7 -5.258 12.282 6.943 1.00 0.00 O ATOM 94 CB LYS A 7 -7.166 11.224 5.181 1.00 0.00 C ATOM 95 CG LYS A 7 -8.007 11.761 4.021 1.00 0.00 C ATOM 96 CD LYS A 7 -8.626 13.115 4.374 1.00 0.00 C ATOM 97 CE LYS A 7 -9.176 13.808 3.126 1.00 0.00 C ATOM 98 NZ LYS A 7 -10.612 13.496 2.950 1.00 0.00 N ATOM 0 H LYS A 7 -4.920 9.303 5.165 1.00 0.00 H new ATOM 0 HA LYS A 7 -5.570 11.939 4.008 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -7.483 10.210 5.425 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -7.334 11.833 6.069 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -7.384 11.862 3.132 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -8.796 11.049 3.778 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -9.427 12.975 5.099 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -7.876 13.750 4.846 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -9.040 14.886 3.212 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -8.617 13.485 2.248 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -10.969 13.974 2.098 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -10.734 12.468 2.847 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -11.143 13.826 3.781 1.00 0.00 H new ATOM 112 N GLY A 8 -3.484 11.475 5.795 1.00 0.00 N ATOM 113 CA GLY A 8 -2.511 11.882 6.794 1.00 0.00 C ATOM 114 C GLY A 8 -1.110 11.984 6.187 1.00 0.00 C ATOM 115 O GLY A 8 -0.112 11.894 6.900 1.00 0.00 O ATOM 0 H GLY A 8 -3.088 11.004 4.982 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -2.799 12.845 7.216 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -2.504 11.164 7.614 1.00 0.00 H new ATOM 119 N MET A 9 -1.082 12.172 4.875 1.00 0.00 N ATOM 120 CA MET A 9 0.180 12.287 4.163 1.00 0.00 C ATOM 121 C MET A 9 0.836 13.644 4.427 1.00 0.00 C ATOM 122 O MET A 9 0.151 14.624 4.715 1.00 0.00 O ATOM 123 CB MET A 9 -0.064 12.121 2.662 1.00 0.00 C ATOM 124 CG MET A 9 0.792 10.990 2.090 1.00 0.00 C ATOM 125 SD MET A 9 1.398 11.441 0.472 1.00 0.00 S ATOM 126 CE MET A 9 0.213 10.586 -0.552 1.00 0.00 C ATOM 0 H MET A 9 -1.912 12.247 4.287 1.00 0.00 H new ATOM 0 HA MET A 9 0.850 11.505 4.520 1.00 0.00 H new ATOM 0 HB2 MET A 9 -1.118 11.911 2.482 1.00 0.00 H new ATOM 0 HB3 MET A 9 0.167 13.053 2.147 1.00 0.00 H new ATOM 0 HG2 MET A 9 1.629 10.784 2.757 1.00 0.00 H new ATOM 0 HG3 MET A 9 0.204 10.075 2.025 1.00 0.00 H new ATOM 0 HE1 MET A 9 0.435 10.776 -1.602 1.00 0.00 H new ATOM 0 HE2 MET A 9 0.270 9.515 -0.357 1.00 0.00 H new ATOM 0 HE3 MET A 9 -0.791 10.944 -0.323 1.00 0.00 H new ATOM 136 N SER A 10 2.157 13.658 4.320 1.00 0.00 N ATOM 137 CA SER A 10 2.913 14.878 4.543 1.00 0.00 C ATOM 138 C SER A 10 3.545 15.349 3.232 1.00 0.00 C ATOM 139 O SER A 10 3.861 16.528 3.080 1.00 0.00 O ATOM 140 CB SER A 10 3.993 14.669 5.608 1.00 0.00 C ATOM 141 OG SER A 10 3.435 14.496 6.907 1.00 0.00 O ATOM 0 H SER A 10 2.723 12.843 4.082 1.00 0.00 H new ATOM 0 HA SER A 10 2.227 15.645 4.904 1.00 0.00 H new ATOM 0 HB2 SER A 10 4.591 13.795 5.351 1.00 0.00 H new ATOM 0 HB3 SER A 10 4.667 15.526 5.614 1.00 0.00 H new ATOM 0 HG SER A 10 4.156 14.364 7.558 1.00 0.00 H new ATOM 147 N CYS A 11 3.710 14.404 2.318 1.00 0.00 N ATOM 148 CA CYS A 11 4.298 14.708 1.025 1.00 0.00 C ATOM 149 C CYS A 11 5.819 14.605 1.152 1.00 0.00 C ATOM 150 O CYS A 11 6.326 13.949 2.061 1.00 0.00 O ATOM 151 CB CYS A 11 3.861 16.083 0.514 1.00 0.00 C ATOM 152 SG CYS A 11 3.680 16.044 -1.307 1.00 0.00 S ATOM 0 H CYS A 11 3.447 13.427 2.448 1.00 0.00 H new ATOM 0 HA CYS A 11 3.946 13.989 0.285 1.00 0.00 H new ATOM 0 HB2 CYS A 11 2.916 16.368 0.976 1.00 0.00 H new ATOM 0 HB3 CYS A 11 4.595 16.836 0.799 1.00 0.00 H new ATOM 0 HG CYS A 11 3.307 17.215 -1.731 1.00 0.00 H new ATOM 158 N ASN A 12 6.505 15.262 0.229 1.00 0.00 N ATOM 159 CA ASN A 12 7.958 15.252 0.227 1.00 0.00 C ATOM 160 C ASN A 12 8.454 13.934 -0.371 1.00 0.00 C ATOM 161 O ASN A 12 9.046 13.921 -1.449 1.00 0.00 O ATOM 162 CB ASN A 12 8.512 15.365 1.648 1.00 0.00 C ATOM 163 CG ASN A 12 7.618 16.253 2.516 1.00 0.00 C ATOM 164 OD1 ASN A 12 7.123 15.852 3.557 1.00 0.00 O ATOM 165 ND2 ASN A 12 7.440 17.479 2.032 1.00 0.00 N ATOM 0 H ASN A 12 6.081 15.805 -0.523 1.00 0.00 H new ATOM 0 HA ASN A 12 8.300 16.103 -0.362 1.00 0.00 H new ATOM 0 HB2 ASN A 12 8.587 14.373 2.093 1.00 0.00 H new ATOM 0 HB3 ASN A 12 9.520 15.778 1.617 1.00 0.00 H new ATOM 0 HD21 ASN A 12 6.860 18.148 2.538 1.00 0.00 H new ATOM 0 HD22 ASN A 12 7.884 17.750 1.154 1.00 0.00 H new ATOM 172 N HIS A 13 8.193 12.857 0.355 1.00 0.00 N ATOM 173 CA HIS A 13 8.605 11.537 -0.090 1.00 0.00 C ATOM 174 C HIS A 13 7.737 10.473 0.586 1.00 0.00 C ATOM 175 O HIS A 13 8.164 9.331 0.751 1.00 0.00 O ATOM 176 CB HIS A 13 10.100 11.324 0.152 1.00 0.00 C ATOM 177 CG HIS A 13 10.419 10.639 1.460 1.00 0.00 C ATOM 178 ND1 HIS A 13 11.097 9.434 1.529 1.00 0.00 N ATOM 179 CD2 HIS A 13 10.148 11.002 2.746 1.00 0.00 C ATOM 180 CE1 HIS A 13 11.221 9.096 2.804 1.00 0.00 C ATOM 181 NE2 HIS A 13 10.632 10.069 3.557 1.00 0.00 N ATOM 0 H HIS A 13 7.701 12.872 1.248 1.00 0.00 H new ATOM 0 HA HIS A 13 8.454 11.449 -1.166 1.00 0.00 H new ATOM 0 HB2 HIS A 13 10.509 10.731 -0.666 1.00 0.00 H new ATOM 0 HB3 HIS A 13 10.603 12.291 0.128 1.00 0.00 H new ATOM 0 HD2 HIS A 13 9.628 11.897 3.053 1.00 0.00 H new ATOM 0 HE1 HIS A 13 11.704 8.206 3.181 1.00 0.00 H new ATOM 0 HE2 HIS A 13 10.573 10.078 4.575 1.00 0.00 H new ATOM 189 N CYS A 14 6.535 10.886 0.961 1.00 0.00 N ATOM 190 CA CYS A 14 5.604 9.983 1.615 1.00 0.00 C ATOM 191 C CYS A 14 5.196 8.903 0.612 1.00 0.00 C ATOM 192 O CYS A 14 5.354 7.713 0.876 1.00 0.00 O ATOM 193 CB CYS A 14 4.392 10.729 2.176 1.00 0.00 C ATOM 194 SG CYS A 14 4.779 11.395 3.836 1.00 0.00 S ATOM 0 H CYS A 14 6.185 11.834 0.824 1.00 0.00 H new ATOM 0 HA CYS A 14 6.089 9.516 2.472 1.00 0.00 H new ATOM 0 HB2 CYS A 14 4.113 11.542 1.505 1.00 0.00 H new ATOM 0 HB3 CYS A 14 3.536 10.056 2.236 1.00 0.00 H new ATOM 0 HG CYS A 14 5.430 12.514 3.714 1.00 0.00 H new ATOM 200 N VAL A 15 4.677 9.358 -0.520 1.00 0.00 N ATOM 201 CA VAL A 15 4.244 8.446 -1.565 1.00 0.00 C ATOM 202 C VAL A 15 5.271 7.321 -1.711 1.00 0.00 C ATOM 203 O VAL A 15 4.911 6.145 -1.733 1.00 0.00 O ATOM 204 CB VAL A 15 4.010 9.215 -2.866 1.00 0.00 C ATOM 205 CG1 VAL A 15 4.175 8.299 -4.081 1.00 0.00 C ATOM 206 CG2 VAL A 15 2.634 9.884 -2.868 1.00 0.00 C ATOM 0 H VAL A 15 4.547 10.346 -0.736 1.00 0.00 H new ATOM 0 HA VAL A 15 3.292 7.985 -1.300 1.00 0.00 H new ATOM 0 HB VAL A 15 4.764 9.999 -2.932 1.00 0.00 H new ATOM 0 HG11 VAL A 15 4.003 8.870 -4.993 1.00 0.00 H new ATOM 0 HG12 VAL A 15 5.185 7.890 -4.094 1.00 0.00 H new ATOM 0 HG13 VAL A 15 3.454 7.484 -4.022 1.00 0.00 H new ATOM 0 HG21 VAL A 15 2.493 10.424 -3.804 1.00 0.00 H new ATOM 0 HG22 VAL A 15 1.860 9.124 -2.768 1.00 0.00 H new ATOM 0 HG23 VAL A 15 2.567 10.582 -2.033 1.00 0.00 H new ATOM 216 N ALA A 16 6.531 7.722 -1.807 1.00 0.00 N ATOM 217 CA ALA A 16 7.612 6.762 -1.951 1.00 0.00 C ATOM 218 C ALA A 16 7.710 5.916 -0.679 1.00 0.00 C ATOM 219 O ALA A 16 7.753 4.689 -0.748 1.00 0.00 O ATOM 220 CB ALA A 16 8.915 7.503 -2.260 1.00 0.00 C ATOM 0 H ALA A 16 6.827 8.698 -1.788 1.00 0.00 H new ATOM 0 HA ALA A 16 7.416 6.085 -2.783 1.00 0.00 H new ATOM 0 HB1 ALA A 16 9.726 6.783 -2.368 1.00 0.00 H new ATOM 0 HB2 ALA A 16 8.803 8.065 -3.187 1.00 0.00 H new ATOM 0 HB3 ALA A 16 9.145 8.189 -1.445 1.00 0.00 H new ATOM 226 N ARG A 17 7.743 6.607 0.451 1.00 0.00 N ATOM 227 CA ARG A 17 7.836 5.934 1.736 1.00 0.00 C ATOM 228 C ARG A 17 6.724 4.891 1.870 1.00 0.00 C ATOM 229 O ARG A 17 6.980 3.753 2.261 1.00 0.00 O ATOM 230 CB ARG A 17 7.729 6.934 2.889 1.00 0.00 C ATOM 231 CG ARG A 17 8.879 6.751 3.881 1.00 0.00 C ATOM 232 CD ARG A 17 8.372 6.190 5.212 1.00 0.00 C ATOM 233 NE ARG A 17 8.552 4.722 5.244 1.00 0.00 N ATOM 234 CZ ARG A 17 9.733 4.114 5.421 1.00 0.00 C ATOM 235 NH1 ARG A 17 10.845 4.844 5.582 1.00 0.00 N ATOM 236 NH2 ARG A 17 9.802 2.776 5.437 1.00 0.00 N ATOM 0 H ARG A 17 7.707 7.625 0.504 1.00 0.00 H new ATOM 0 HA ARG A 17 8.808 5.443 1.784 1.00 0.00 H new ATOM 0 HB2 ARG A 17 7.741 7.951 2.496 1.00 0.00 H new ATOM 0 HB3 ARG A 17 6.777 6.802 3.402 1.00 0.00 H new ATOM 0 HG2 ARG A 17 9.624 6.077 3.459 1.00 0.00 H new ATOM 0 HG3 ARG A 17 9.374 7.707 4.050 1.00 0.00 H new ATOM 0 HD2 ARG A 17 8.913 6.649 6.039 1.00 0.00 H new ATOM 0 HD3 ARG A 17 7.319 6.438 5.343 1.00 0.00 H new ATOM 0 HE ARG A 17 7.726 4.136 5.124 1.00 0.00 H new ATOM 0 HH11 ARG A 17 10.793 5.863 5.570 1.00 0.00 H new ATOM 0 HH12 ARG A 17 11.744 4.381 5.717 1.00 0.00 H new ATOM 0 HH21 ARG A 17 8.956 2.220 5.314 1.00 0.00 H new ATOM 0 HH22 ARG A 17 10.701 2.313 5.572 1.00 0.00 H new ATOM 250 N ILE A 18 5.514 5.316 1.538 1.00 0.00 N ATOM 251 CA ILE A 18 4.363 4.432 1.616 1.00 0.00 C ATOM 252 C ILE A 18 4.492 3.339 0.554 1.00 0.00 C ATOM 253 O ILE A 18 4.389 2.153 0.864 1.00 0.00 O ATOM 254 CB ILE A 18 3.064 5.235 1.518 1.00 0.00 C ATOM 255 CG1 ILE A 18 3.050 6.381 2.532 1.00 0.00 C ATOM 256 CG2 ILE A 18 1.844 4.324 1.666 1.00 0.00 C ATOM 257 CD1 ILE A 18 1.777 7.219 2.394 1.00 0.00 C ATOM 0 H ILE A 18 5.305 6.261 1.214 1.00 0.00 H new ATOM 0 HA ILE A 18 4.330 3.933 2.585 1.00 0.00 H new ATOM 0 HB ILE A 18 3.013 5.683 0.525 1.00 0.00 H new ATOM 0 HG12 ILE A 18 3.117 5.978 3.543 1.00 0.00 H new ATOM 0 HG13 ILE A 18 3.925 7.014 2.383 1.00 0.00 H new ATOM 0 HG21 ILE A 18 0.934 4.920 1.593 1.00 0.00 H new ATOM 0 HG22 ILE A 18 1.852 3.574 0.875 1.00 0.00 H new ATOM 0 HG23 ILE A 18 1.876 3.828 2.636 1.00 0.00 H new ATOM 0 HD11 ILE A 18 1.792 8.027 3.126 1.00 0.00 H new ATOM 0 HD12 ILE A 18 1.726 7.640 1.390 1.00 0.00 H new ATOM 0 HD13 ILE A 18 0.905 6.588 2.568 1.00 0.00 H new ATOM 269 N GLU A 19 4.716 3.776 -0.676 1.00 0.00 N ATOM 270 CA GLU A 19 4.859 2.849 -1.785 1.00 0.00 C ATOM 271 C GLU A 19 5.916 1.791 -1.460 1.00 0.00 C ATOM 272 O GLU A 19 5.649 0.594 -1.551 1.00 0.00 O ATOM 273 CB GLU A 19 5.206 3.590 -3.078 1.00 0.00 C ATOM 274 CG GLU A 19 5.931 2.669 -4.061 1.00 0.00 C ATOM 275 CD GLU A 19 7.449 2.813 -3.931 1.00 0.00 C ATOM 276 OE1 GLU A 19 7.870 3.625 -3.079 1.00 0.00 O ATOM 277 OE2 GLU A 19 8.153 2.109 -4.686 1.00 0.00 O ATOM 0 H GLU A 19 4.802 4.760 -0.929 1.00 0.00 H new ATOM 0 HA GLU A 19 3.904 2.346 -1.938 1.00 0.00 H new ATOM 0 HB2 GLU A 19 4.295 3.973 -3.538 1.00 0.00 H new ATOM 0 HB3 GLU A 19 5.834 4.451 -2.850 1.00 0.00 H new ATOM 0 HG2 GLU A 19 5.643 1.634 -3.875 1.00 0.00 H new ATOM 0 HG3 GLU A 19 5.626 2.907 -5.080 1.00 0.00 H new ATOM 284 N GLU A 20 7.093 2.272 -1.087 1.00 0.00 N ATOM 285 CA GLU A 20 8.191 1.383 -0.747 1.00 0.00 C ATOM 286 C GLU A 20 7.841 0.558 0.494 1.00 0.00 C ATOM 287 O GLU A 20 8.075 -0.649 0.527 1.00 0.00 O ATOM 288 CB GLU A 20 9.487 2.168 -0.536 1.00 0.00 C ATOM 289 CG GLU A 20 10.706 1.324 -0.913 1.00 0.00 C ATOM 290 CD GLU A 20 11.256 0.579 0.305 1.00 0.00 C ATOM 291 OE1 GLU A 20 10.669 -0.473 0.639 1.00 0.00 O ATOM 292 OE2 GLU A 20 12.249 1.079 0.876 1.00 0.00 O ATOM 0 H GLU A 20 7.310 3.266 -1.013 1.00 0.00 H new ATOM 0 HA GLU A 20 8.351 0.699 -1.581 1.00 0.00 H new ATOM 0 HB2 GLU A 20 9.469 3.076 -1.138 1.00 0.00 H new ATOM 0 HB3 GLU A 20 9.563 2.478 0.506 1.00 0.00 H new ATOM 0 HG2 GLU A 20 10.431 0.608 -1.688 1.00 0.00 H new ATOM 0 HG3 GLU A 20 11.481 1.966 -1.332 1.00 0.00 H new ATOM 299 N ALA A 21 7.287 1.243 1.484 1.00 0.00 N ATOM 300 CA ALA A 21 6.903 0.589 2.723 1.00 0.00 C ATOM 301 C ALA A 21 5.901 -0.526 2.417 1.00 0.00 C ATOM 302 O ALA A 21 5.998 -1.620 2.970 1.00 0.00 O ATOM 303 CB ALA A 21 6.341 1.628 3.696 1.00 0.00 C ATOM 0 H ALA A 21 7.095 2.244 1.453 1.00 0.00 H new ATOM 0 HA ALA A 21 7.770 0.131 3.200 1.00 0.00 H new ATOM 0 HB1 ALA A 21 6.053 1.137 4.626 1.00 0.00 H new ATOM 0 HB2 ALA A 21 7.101 2.381 3.904 1.00 0.00 H new ATOM 0 HB3 ALA A 21 5.468 2.107 3.253 1.00 0.00 H new ATOM 309 N VAL A 22 4.962 -0.209 1.538 1.00 0.00 N ATOM 310 CA VAL A 22 3.943 -1.170 1.152 1.00 0.00 C ATOM 311 C VAL A 22 4.597 -2.316 0.376 1.00 0.00 C ATOM 312 O VAL A 22 4.439 -3.482 0.734 1.00 0.00 O ATOM 313 CB VAL A 22 2.835 -0.470 0.364 1.00 0.00 C ATOM 314 CG1 VAL A 22 1.746 -1.462 -0.050 1.00 0.00 C ATOM 315 CG2 VAL A 22 2.243 0.691 1.164 1.00 0.00 C ATOM 0 H VAL A 22 4.885 0.700 1.082 1.00 0.00 H new ATOM 0 HA VAL A 22 3.472 -1.602 2.035 1.00 0.00 H new ATOM 0 HB VAL A 22 3.278 -0.060 -0.544 1.00 0.00 H new ATOM 0 HG11 VAL A 22 0.970 -0.938 -0.609 1.00 0.00 H new ATOM 0 HG12 VAL A 22 2.182 -2.240 -0.676 1.00 0.00 H new ATOM 0 HG13 VAL A 22 1.309 -1.915 0.840 1.00 0.00 H new ATOM 0 HG21 VAL A 22 1.457 1.172 0.581 1.00 0.00 H new ATOM 0 HG22 VAL A 22 1.823 0.314 2.097 1.00 0.00 H new ATOM 0 HG23 VAL A 22 3.026 1.417 1.386 1.00 0.00 H new ATOM 325 N GLY A 23 5.316 -1.943 -0.672 1.00 0.00 N ATOM 326 CA GLY A 23 5.994 -2.925 -1.501 1.00 0.00 C ATOM 327 C GLY A 23 6.829 -3.881 -0.648 1.00 0.00 C ATOM 328 O GLY A 23 7.174 -4.975 -1.092 1.00 0.00 O ATOM 0 H GLY A 23 5.444 -0.975 -0.966 1.00 0.00 H new ATOM 0 HA2 GLY A 23 5.260 -3.491 -2.074 1.00 0.00 H new ATOM 0 HA3 GLY A 23 6.637 -2.417 -2.220 1.00 0.00 H new ATOM 332 N ARG A 24 7.129 -3.434 0.563 1.00 0.00 N ATOM 333 CA ARG A 24 7.917 -4.237 1.483 1.00 0.00 C ATOM 334 C ARG A 24 7.067 -5.370 2.061 1.00 0.00 C ATOM 335 O ARG A 24 7.596 -6.306 2.658 1.00 0.00 O ATOM 336 CB ARG A 24 8.464 -3.384 2.629 1.00 0.00 C ATOM 337 CG ARG A 24 9.857 -3.858 3.049 1.00 0.00 C ATOM 338 CD ARG A 24 9.890 -4.210 4.538 1.00 0.00 C ATOM 339 NE ARG A 24 10.002 -5.675 4.710 1.00 0.00 N ATOM 340 CZ ARG A 24 10.413 -6.270 5.838 1.00 0.00 C ATOM 341 NH1 ARG A 24 10.754 -5.528 6.901 1.00 0.00 N ATOM 342 NH2 ARG A 24 10.484 -7.606 5.904 1.00 0.00 N ATOM 0 H ARG A 24 6.841 -2.526 0.928 1.00 0.00 H new ATOM 0 HA ARG A 24 8.754 -4.655 0.924 1.00 0.00 H new ATOM 0 HB2 ARG A 24 8.509 -2.340 2.320 1.00 0.00 H new ATOM 0 HB3 ARG A 24 7.786 -3.436 3.481 1.00 0.00 H new ATOM 0 HG2 ARG A 24 10.142 -4.729 2.459 1.00 0.00 H new ATOM 0 HG3 ARG A 24 10.589 -3.078 2.840 1.00 0.00 H new ATOM 0 HD2 ARG A 24 10.733 -3.714 5.019 1.00 0.00 H new ATOM 0 HD3 ARG A 24 8.986 -3.846 5.026 1.00 0.00 H new ATOM 0 HE ARG A 24 9.751 -6.270 3.920 1.00 0.00 H new ATOM 0 HH11 ARG A 24 10.701 -4.511 6.851 1.00 0.00 H new ATOM 0 HH12 ARG A 24 11.067 -5.981 7.760 1.00 0.00 H new ATOM 0 HH21 ARG A 24 10.225 -8.171 5.095 1.00 0.00 H new ATOM 0 HH22 ARG A 24 10.797 -8.058 6.763 1.00 0.00 H new ATOM 356 N ILE A 25 5.762 -5.248 1.864 1.00 0.00 N ATOM 357 CA ILE A 25 4.833 -6.249 2.358 1.00 0.00 C ATOM 358 C ILE A 25 5.031 -7.551 1.579 1.00 0.00 C ATOM 359 O ILE A 25 4.831 -7.589 0.366 1.00 0.00 O ATOM 360 CB ILE A 25 3.399 -5.719 2.314 1.00 0.00 C ATOM 361 CG1 ILE A 25 3.277 -4.404 3.087 1.00 0.00 C ATOM 362 CG2 ILE A 25 2.409 -6.772 2.815 1.00 0.00 C ATOM 363 CD1 ILE A 25 2.162 -3.529 2.509 1.00 0.00 C ATOM 0 H ILE A 25 5.326 -4.470 1.368 1.00 0.00 H new ATOM 0 HA ILE A 25 5.034 -6.470 3.406 1.00 0.00 H new ATOM 0 HB ILE A 25 3.145 -5.507 1.275 1.00 0.00 H new ATOM 0 HG12 ILE A 25 3.073 -4.613 4.137 1.00 0.00 H new ATOM 0 HG13 ILE A 25 4.224 -3.866 3.048 1.00 0.00 H new ATOM 0 HG21 ILE A 25 1.397 -6.369 2.773 1.00 0.00 H new ATOM 0 HG22 ILE A 25 2.472 -7.660 2.186 1.00 0.00 H new ATOM 0 HG23 ILE A 25 2.651 -7.039 3.844 1.00 0.00 H new ATOM 0 HD11 ILE A 25 2.097 -2.601 3.077 1.00 0.00 H new ATOM 0 HD12 ILE A 25 2.382 -3.302 1.466 1.00 0.00 H new ATOM 0 HD13 ILE A 25 1.213 -4.061 2.572 1.00 0.00 H new ATOM 375 N SER A 26 5.423 -8.586 2.307 1.00 0.00 N ATOM 376 CA SER A 26 5.650 -9.886 1.699 1.00 0.00 C ATOM 377 C SER A 26 4.336 -10.444 1.150 1.00 0.00 C ATOM 378 O SER A 26 3.460 -10.846 1.915 1.00 0.00 O ATOM 379 CB SER A 26 6.264 -10.864 2.704 1.00 0.00 C ATOM 380 OG SER A 26 6.295 -12.197 2.200 1.00 0.00 O ATOM 0 H SER A 26 5.589 -8.551 3.313 1.00 0.00 H new ATOM 0 HA SER A 26 6.355 -9.761 0.877 1.00 0.00 H new ATOM 0 HB2 SER A 26 7.277 -10.545 2.948 1.00 0.00 H new ATOM 0 HB3 SER A 26 5.690 -10.840 3.631 1.00 0.00 H new ATOM 0 HG SER A 26 6.695 -12.791 2.869 1.00 0.00 H new ATOM 386 N GLY A 27 4.239 -10.451 -0.171 1.00 0.00 N ATOM 387 CA GLY A 27 3.046 -10.953 -0.831 1.00 0.00 C ATOM 388 C GLY A 27 2.563 -9.978 -1.906 1.00 0.00 C ATOM 389 O GLY A 27 1.819 -10.360 -2.808 1.00 0.00 O ATOM 0 H GLY A 27 4.967 -10.117 -0.802 1.00 0.00 H new ATOM 0 HA2 GLY A 27 3.257 -11.923 -1.282 1.00 0.00 H new ATOM 0 HA3 GLY A 27 2.257 -11.109 -0.095 1.00 0.00 H new ATOM 393 N VAL A 28 3.005 -8.735 -1.774 1.00 0.00 N ATOM 394 CA VAL A 28 2.626 -7.702 -2.722 1.00 0.00 C ATOM 395 C VAL A 28 3.499 -7.819 -3.974 1.00 0.00 C ATOM 396 O VAL A 28 4.725 -7.820 -3.881 1.00 0.00 O ATOM 397 CB VAL A 28 2.713 -6.326 -2.059 1.00 0.00 C ATOM 398 CG1 VAL A 28 2.947 -5.229 -3.101 1.00 0.00 C ATOM 399 CG2 VAL A 28 1.461 -6.036 -1.230 1.00 0.00 C ATOM 0 H VAL A 28 3.622 -8.421 -1.025 1.00 0.00 H new ATOM 0 HA VAL A 28 1.590 -7.832 -3.035 1.00 0.00 H new ATOM 0 HB VAL A 28 3.568 -6.334 -1.383 1.00 0.00 H new ATOM 0 HG11 VAL A 28 3.005 -4.261 -2.603 1.00 0.00 H new ATOM 0 HG12 VAL A 28 3.881 -5.422 -3.629 1.00 0.00 H new ATOM 0 HG13 VAL A 28 2.122 -5.222 -3.813 1.00 0.00 H new ATOM 0 HG21 VAL A 28 1.549 -5.052 -0.770 1.00 0.00 H new ATOM 0 HG22 VAL A 28 0.584 -6.057 -1.876 1.00 0.00 H new ATOM 0 HG23 VAL A 28 1.357 -6.792 -0.452 1.00 0.00 H new ATOM 409 N LYS A 29 2.832 -7.915 -5.115 1.00 0.00 N ATOM 410 CA LYS A 29 3.532 -8.032 -6.383 1.00 0.00 C ATOM 411 C LYS A 29 3.888 -6.635 -6.895 1.00 0.00 C ATOM 412 O LYS A 29 5.032 -6.379 -7.265 1.00 0.00 O ATOM 413 CB LYS A 29 2.710 -8.860 -7.373 1.00 0.00 C ATOM 414 CG LYS A 29 3.240 -8.692 -8.799 1.00 0.00 C ATOM 415 CD LYS A 29 3.536 -10.051 -9.437 1.00 0.00 C ATOM 416 CE LYS A 29 2.274 -10.651 -10.060 1.00 0.00 C ATOM 417 NZ LYS A 29 1.793 -11.796 -9.255 1.00 0.00 N ATOM 0 H LYS A 29 1.815 -7.914 -5.188 1.00 0.00 H new ATOM 0 HA LYS A 29 4.470 -8.572 -6.253 1.00 0.00 H new ATOM 0 HB2 LYS A 29 2.744 -9.912 -7.090 1.00 0.00 H new ATOM 0 HB3 LYS A 29 1.665 -8.552 -7.331 1.00 0.00 H new ATOM 0 HG2 LYS A 29 2.508 -8.155 -9.402 1.00 0.00 H new ATOM 0 HG3 LYS A 29 4.147 -8.087 -8.785 1.00 0.00 H new ATOM 0 HD2 LYS A 29 4.305 -9.938 -10.201 1.00 0.00 H new ATOM 0 HD3 LYS A 29 3.933 -10.732 -8.684 1.00 0.00 H new ATOM 0 HE2 LYS A 29 1.496 -9.891 -10.123 1.00 0.00 H new ATOM 0 HE3 LYS A 29 2.484 -10.978 -11.079 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 0.936 -12.192 -9.692 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 2.531 -12.528 -9.216 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 1.573 -11.474 -8.291 1.00 0.00 H new ATOM 431 N LYS A 30 2.885 -5.769 -6.900 1.00 0.00 N ATOM 432 CA LYS A 30 3.078 -4.404 -7.361 1.00 0.00 C ATOM 433 C LYS A 30 2.394 -3.441 -6.389 1.00 0.00 C ATOM 434 O LYS A 30 1.507 -3.839 -5.636 1.00 0.00 O ATOM 435 CB LYS A 30 2.606 -4.256 -8.809 1.00 0.00 C ATOM 436 CG LYS A 30 3.347 -5.227 -9.730 1.00 0.00 C ATOM 437 CD LYS A 30 4.167 -4.472 -10.778 1.00 0.00 C ATOM 438 CE LYS A 30 3.372 -4.296 -12.073 1.00 0.00 C ATOM 439 NZ LYS A 30 4.246 -4.500 -13.250 1.00 0.00 N ATOM 0 H LYS A 30 1.937 -5.986 -6.592 1.00 0.00 H new ATOM 0 HA LYS A 30 4.138 -4.150 -7.368 1.00 0.00 H new ATOM 0 HB2 LYS A 30 1.533 -4.442 -8.866 1.00 0.00 H new ATOM 0 HB3 LYS A 30 2.771 -3.233 -9.146 1.00 0.00 H new ATOM 0 HG2 LYS A 30 4.005 -5.864 -9.139 1.00 0.00 H new ATOM 0 HG3 LYS A 30 2.630 -5.881 -10.226 1.00 0.00 H new ATOM 0 HD2 LYS A 30 4.453 -3.496 -10.387 1.00 0.00 H new ATOM 0 HD3 LYS A 30 5.089 -5.015 -10.984 1.00 0.00 H new ATOM 0 HE2 LYS A 30 2.546 -5.006 -12.099 1.00 0.00 H new ATOM 0 HE3 LYS A 30 2.935 -3.298 -12.106 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 3.690 -4.377 -14.120 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 5.020 -3.806 -13.232 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 4.643 -5.461 -13.226 1.00 0.00 H new ATOM 453 N VAL A 31 2.832 -2.191 -6.438 1.00 0.00 N ATOM 454 CA VAL A 31 2.273 -1.168 -5.571 1.00 0.00 C ATOM 455 C VAL A 31 2.480 0.206 -6.213 1.00 0.00 C ATOM 456 O VAL A 31 3.428 0.405 -6.971 1.00 0.00 O ATOM 457 CB VAL A 31 2.887 -1.273 -4.174 1.00 0.00 C ATOM 458 CG1 VAL A 31 4.415 -1.234 -4.241 1.00 0.00 C ATOM 459 CG2 VAL A 31 2.350 -0.174 -3.255 1.00 0.00 C ATOM 0 H VAL A 31 3.567 -1.864 -7.065 1.00 0.00 H new ATOM 0 HA VAL A 31 1.199 -1.313 -5.451 1.00 0.00 H new ATOM 0 HB VAL A 31 2.595 -2.235 -3.752 1.00 0.00 H new ATOM 0 HG11 VAL A 31 4.825 -1.310 -3.234 1.00 0.00 H new ATOM 0 HG12 VAL A 31 4.774 -2.068 -4.844 1.00 0.00 H new ATOM 0 HG13 VAL A 31 4.736 -0.295 -4.693 1.00 0.00 H new ATOM 0 HG21 VAL A 31 2.803 -0.272 -2.268 1.00 0.00 H new ATOM 0 HG22 VAL A 31 2.597 0.802 -3.672 1.00 0.00 H new ATOM 0 HG23 VAL A 31 1.268 -0.269 -3.169 1.00 0.00 H new ATOM 469 N LYS A 32 1.577 1.118 -5.885 1.00 0.00 N ATOM 470 CA LYS A 32 1.648 2.467 -6.420 1.00 0.00 C ATOM 471 C LYS A 32 0.925 3.426 -5.471 1.00 0.00 C ATOM 472 O LYS A 32 0.214 2.991 -4.566 1.00 0.00 O ATOM 473 CB LYS A 32 1.116 2.504 -7.854 1.00 0.00 C ATOM 474 CG LYS A 32 1.695 3.693 -8.623 1.00 0.00 C ATOM 475 CD LYS A 32 1.523 3.506 -10.132 1.00 0.00 C ATOM 476 CE LYS A 32 2.749 2.825 -10.743 1.00 0.00 C ATOM 477 NZ LYS A 32 2.351 1.600 -11.472 1.00 0.00 N ATOM 0 H LYS A 32 0.792 0.949 -5.256 1.00 0.00 H new ATOM 0 HA LYS A 32 2.685 2.798 -6.481 1.00 0.00 H new ATOM 0 HB2 LYS A 32 1.373 1.576 -8.365 1.00 0.00 H new ATOM 0 HB3 LYS A 32 0.028 2.570 -7.840 1.00 0.00 H new ATOM 0 HG2 LYS A 32 1.199 4.611 -8.308 1.00 0.00 H new ATOM 0 HG3 LYS A 32 2.753 3.804 -8.385 1.00 0.00 H new ATOM 0 HD2 LYS A 32 0.634 2.907 -10.329 1.00 0.00 H new ATOM 0 HD3 LYS A 32 1.366 4.475 -10.607 1.00 0.00 H new ATOM 0 HE2 LYS A 32 3.253 3.512 -11.422 1.00 0.00 H new ATOM 0 HE3 LYS A 32 3.462 2.573 -9.958 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 3.195 1.150 -11.881 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 1.890 0.939 -10.815 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 1.688 1.849 -12.234 1.00 0.00 H new ATOM 491 N VAL A 33 1.131 4.713 -5.711 1.00 0.00 N ATOM 492 CA VAL A 33 0.508 5.736 -4.889 1.00 0.00 C ATOM 493 C VAL A 33 0.389 7.030 -5.697 1.00 0.00 C ATOM 494 O VAL A 33 1.288 7.372 -6.463 1.00 0.00 O ATOM 495 CB VAL A 33 1.294 5.913 -3.589 1.00 0.00 C ATOM 496 CG1 VAL A 33 0.772 7.111 -2.791 1.00 0.00 C ATOM 497 CG2 VAL A 33 1.257 4.636 -2.747 1.00 0.00 C ATOM 0 H VAL A 33 1.720 5.070 -6.463 1.00 0.00 H new ATOM 0 HA VAL A 33 -0.501 5.436 -4.605 1.00 0.00 H new ATOM 0 HB VAL A 33 2.333 6.112 -3.851 1.00 0.00 H new ATOM 0 HG11 VAL A 33 1.348 7.214 -1.871 1.00 0.00 H new ATOM 0 HG12 VAL A 33 0.874 8.018 -3.387 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -0.278 6.955 -2.545 1.00 0.00 H new ATOM 0 HG21 VAL A 33 1.823 4.789 -1.828 1.00 0.00 H new ATOM 0 HG22 VAL A 33 0.224 4.393 -2.500 1.00 0.00 H new ATOM 0 HG23 VAL A 33 1.698 3.815 -3.312 1.00 0.00 H new ATOM 507 N GLN A 34 -0.728 7.714 -5.498 1.00 0.00 N ATOM 508 CA GLN A 34 -0.976 8.963 -6.198 1.00 0.00 C ATOM 509 C GLN A 34 -1.255 10.086 -5.198 1.00 0.00 C ATOM 510 O GLN A 34 -2.231 10.029 -4.451 1.00 0.00 O ATOM 511 CB GLN A 34 -2.130 8.814 -7.192 1.00 0.00 C ATOM 512 CG GLN A 34 -1.815 7.747 -8.242 1.00 0.00 C ATOM 513 CD GLN A 34 -2.560 6.444 -7.940 1.00 0.00 C ATOM 514 OE1 GLN A 34 -2.809 6.092 -6.799 1.00 0.00 O ATOM 515 NE2 GLN A 34 -2.901 5.752 -9.023 1.00 0.00 N ATOM 0 H GLN A 34 -1.472 7.427 -4.862 1.00 0.00 H new ATOM 0 HA GLN A 34 -0.082 9.223 -6.765 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -3.042 8.546 -6.658 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -2.317 9.769 -7.683 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -2.096 8.110 -9.231 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -0.741 7.560 -8.265 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -2.661 6.104 -9.950 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -3.402 4.869 -8.927 1.00 0.00 H new ATOM 524 N LEU A 35 -0.381 11.081 -5.215 1.00 0.00 N ATOM 525 CA LEU A 35 -0.521 12.216 -4.319 1.00 0.00 C ATOM 526 C LEU A 35 -1.776 13.006 -4.695 1.00 0.00 C ATOM 527 O LEU A 35 -2.556 13.390 -3.825 1.00 0.00 O ATOM 528 CB LEU A 35 0.757 13.057 -4.315 1.00 0.00 C ATOM 529 CG LEU A 35 0.895 14.064 -3.172 1.00 0.00 C ATOM 530 CD1 LEU A 35 -0.219 15.112 -3.227 1.00 0.00 C ATOM 531 CD2 LEU A 35 0.945 13.353 -1.818 1.00 0.00 C ATOM 0 H LEU A 35 0.427 11.125 -5.836 1.00 0.00 H new ATOM 0 HA LEU A 35 -0.654 11.876 -3.292 1.00 0.00 H new ATOM 0 HB2 LEU A 35 1.612 12.382 -4.283 1.00 0.00 H new ATOM 0 HB3 LEU A 35 0.814 13.599 -5.259 1.00 0.00 H new ATOM 0 HG LEU A 35 1.841 14.592 -3.294 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -0.098 15.816 -2.403 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -0.167 15.649 -4.174 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -1.187 14.619 -3.143 1.00 0.00 H new ATOM 0 HD21 LEU A 35 1.043 14.092 -1.023 1.00 0.00 H new ATOM 0 HD22 LEU A 35 0.028 12.783 -1.672 1.00 0.00 H new ATOM 0 HD23 LEU A 35 1.800 12.677 -1.793 1.00 0.00 H new ATOM 543 N LYS A 36 -1.931 13.225 -5.992 1.00 0.00 N ATOM 544 CA LYS A 36 -3.078 13.962 -6.495 1.00 0.00 C ATOM 545 C LYS A 36 -4.253 13.001 -6.687 1.00 0.00 C ATOM 546 O LYS A 36 -4.968 13.081 -7.684 1.00 0.00 O ATOM 547 CB LYS A 36 -2.705 14.738 -7.760 1.00 0.00 C ATOM 548 CG LYS A 36 -2.324 13.784 -8.895 1.00 0.00 C ATOM 549 CD LYS A 36 -3.057 14.150 -10.187 1.00 0.00 C ATOM 550 CE LYS A 36 -2.580 13.282 -11.353 1.00 0.00 C ATOM 551 NZ LYS A 36 -3.684 12.432 -11.851 1.00 0.00 N ATOM 0 H LYS A 36 -1.281 12.905 -6.710 1.00 0.00 H new ATOM 0 HA LYS A 36 -3.395 14.713 -5.771 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -3.544 15.361 -8.070 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -1.872 15.408 -7.548 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -1.247 13.821 -9.060 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -2.568 12.760 -8.612 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -4.131 14.022 -10.049 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -2.889 15.202 -10.419 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -2.209 13.916 -12.158 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -1.748 12.656 -11.032 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -3.344 11.849 -12.642 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -4.019 11.814 -11.085 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -4.466 13.035 -12.177 1.00 0.00 H new ATOM 565 N LYS A 37 -4.415 12.115 -5.716 1.00 0.00 N ATOM 566 CA LYS A 37 -5.491 11.139 -5.765 1.00 0.00 C ATOM 567 C LYS A 37 -5.997 10.872 -4.346 1.00 0.00 C ATOM 568 O LYS A 37 -7.204 10.803 -4.117 1.00 0.00 O ATOM 569 CB LYS A 37 -5.037 9.878 -6.504 1.00 0.00 C ATOM 570 CG LYS A 37 -6.175 9.294 -7.342 1.00 0.00 C ATOM 571 CD LYS A 37 -5.715 8.045 -8.097 1.00 0.00 C ATOM 572 CE LYS A 37 -6.153 8.098 -9.563 1.00 0.00 C ATOM 573 NZ LYS A 37 -5.014 7.786 -10.455 1.00 0.00 N ATOM 0 H LYS A 37 -3.819 12.052 -4.890 1.00 0.00 H new ATOM 0 HA LYS A 37 -6.334 11.529 -6.336 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -4.191 10.115 -7.149 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -4.692 9.135 -5.785 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -7.016 9.043 -6.695 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -6.530 10.042 -8.051 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -4.630 7.961 -8.041 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -6.129 7.155 -7.622 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -6.961 7.387 -9.733 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -6.545 9.088 -9.796 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -5.260 8.037 -11.434 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -4.180 8.331 -10.157 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -4.800 6.770 -10.402 1.00 0.00 H new ATOM 587 N GLU A 38 -5.050 10.728 -3.432 1.00 0.00 N ATOM 588 CA GLU A 38 -5.385 10.470 -2.041 1.00 0.00 C ATOM 589 C GLU A 38 -5.741 8.995 -1.846 1.00 0.00 C ATOM 590 O GLU A 38 -6.526 8.654 -0.962 1.00 0.00 O ATOM 591 CB GLU A 38 -6.526 11.377 -1.575 1.00 0.00 C ATOM 592 CG GLU A 38 -6.440 12.752 -2.240 1.00 0.00 C ATOM 593 CD GLU A 38 -6.813 13.862 -1.255 1.00 0.00 C ATOM 594 OE1 GLU A 38 -6.567 13.654 -0.047 1.00 0.00 O ATOM 595 OE2 GLU A 38 -7.336 14.892 -1.732 1.00 0.00 O ATOM 0 H GLU A 38 -4.050 10.785 -3.627 1.00 0.00 H new ATOM 0 HA GLU A 38 -4.512 10.696 -1.429 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -7.484 10.914 -1.812 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -6.486 11.490 -0.492 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -5.429 12.917 -2.613 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -7.107 12.786 -3.101 1.00 0.00 H new ATOM 602 N LYS A 39 -5.148 8.160 -2.687 1.00 0.00 N ATOM 603 CA LYS A 39 -5.394 6.729 -2.618 1.00 0.00 C ATOM 604 C LYS A 39 -4.157 5.980 -3.118 1.00 0.00 C ATOM 605 O LYS A 39 -3.525 6.395 -4.088 1.00 0.00 O ATOM 606 CB LYS A 39 -6.677 6.369 -3.369 1.00 0.00 C ATOM 607 CG LYS A 39 -7.393 7.627 -3.865 1.00 0.00 C ATOM 608 CD LYS A 39 -8.626 7.264 -4.696 1.00 0.00 C ATOM 609 CE LYS A 39 -9.745 6.717 -3.808 1.00 0.00 C ATOM 610 NZ LYS A 39 -11.037 7.352 -4.152 1.00 0.00 N ATOM 0 H LYS A 39 -4.498 8.447 -3.419 1.00 0.00 H new ATOM 0 HA LYS A 39 -5.560 6.419 -1.586 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -6.439 5.724 -4.215 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -7.340 5.803 -2.714 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -7.691 8.240 -3.014 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -6.709 8.226 -4.465 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -8.980 8.145 -5.232 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -8.357 6.521 -5.447 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -9.820 5.637 -3.931 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -9.509 6.903 -2.760 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -11.786 6.969 -3.540 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -10.967 8.380 -4.012 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -11.268 7.153 -5.146 1.00 0.00 H new ATOM 624 N ALA A 40 -3.850 4.887 -2.434 1.00 0.00 N ATOM 625 CA ALA A 40 -2.701 4.076 -2.797 1.00 0.00 C ATOM 626 C ALA A 40 -3.181 2.802 -3.495 1.00 0.00 C ATOM 627 O ALA A 40 -4.165 2.194 -3.076 1.00 0.00 O ATOM 628 CB ALA A 40 -1.871 3.777 -1.546 1.00 0.00 C ATOM 0 H ALA A 40 -4.377 4.545 -1.631 1.00 0.00 H new ATOM 0 HA ALA A 40 -2.058 4.613 -3.495 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -1.009 3.168 -1.818 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -1.529 4.713 -1.104 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -2.483 3.237 -0.824 1.00 0.00 H new ATOM 634 N VAL A 41 -2.465 2.437 -4.548 1.00 0.00 N ATOM 635 CA VAL A 41 -2.806 1.246 -5.308 1.00 0.00 C ATOM 636 C VAL A 41 -1.815 0.130 -4.972 1.00 0.00 C ATOM 637 O VAL A 41 -0.606 0.355 -4.946 1.00 0.00 O ATOM 638 CB VAL A 41 -2.852 1.575 -6.802 1.00 0.00 C ATOM 639 CG1 VAL A 41 -3.526 0.450 -7.590 1.00 0.00 C ATOM 640 CG2 VAL A 41 -3.551 2.913 -7.048 1.00 0.00 C ATOM 0 H VAL A 41 -1.650 2.945 -4.893 1.00 0.00 H new ATOM 0 HA VAL A 41 -3.800 0.890 -5.036 1.00 0.00 H new ATOM 0 HB VAL A 41 -1.825 1.664 -7.157 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -3.546 0.709 -8.649 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -2.967 -0.476 -7.453 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -4.546 0.314 -7.230 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -3.570 3.122 -8.118 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -4.572 2.865 -6.670 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -3.010 3.706 -6.532 1.00 0.00 H new ATOM 650 N VAL A 42 -2.365 -1.050 -4.722 1.00 0.00 N ATOM 651 CA VAL A 42 -1.545 -2.201 -4.388 1.00 0.00 C ATOM 652 C VAL A 42 -2.071 -3.430 -5.133 1.00 0.00 C ATOM 653 O VAL A 42 -3.278 -3.581 -5.313 1.00 0.00 O ATOM 654 CB VAL A 42 -1.505 -2.394 -2.871 1.00 0.00 C ATOM 655 CG1 VAL A 42 -0.716 -3.650 -2.498 1.00 0.00 C ATOM 656 CG2 VAL A 42 -0.929 -1.158 -2.176 1.00 0.00 C ATOM 0 H VAL A 42 -3.368 -1.233 -4.744 1.00 0.00 H new ATOM 0 HA VAL A 42 -0.516 -2.042 -4.709 1.00 0.00 H new ATOM 0 HB VAL A 42 -2.530 -2.527 -2.524 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -0.703 -3.763 -1.414 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -1.188 -4.523 -2.949 1.00 0.00 H new ATOM 0 HG13 VAL A 42 0.306 -3.560 -2.865 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -0.912 -1.321 -1.098 1.00 0.00 H new ATOM 0 HG22 VAL A 42 0.086 -0.980 -2.532 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -1.550 -0.291 -2.402 1.00 0.00 H new ATOM 666 N LYS A 43 -1.139 -4.276 -5.546 1.00 0.00 N ATOM 667 CA LYS A 43 -1.494 -5.487 -6.267 1.00 0.00 C ATOM 668 C LYS A 43 -0.896 -6.698 -5.547 1.00 0.00 C ATOM 669 O LYS A 43 0.267 -7.037 -5.756 1.00 0.00 O ATOM 670 CB LYS A 43 -1.078 -5.377 -7.735 1.00 0.00 C ATOM 671 CG LYS A 43 -2.002 -6.205 -8.630 1.00 0.00 C ATOM 672 CD LYS A 43 -1.570 -6.116 -10.095 1.00 0.00 C ATOM 673 CE LYS A 43 -0.904 -7.417 -10.549 1.00 0.00 C ATOM 674 NZ LYS A 43 -1.778 -8.143 -11.497 1.00 0.00 N ATOM 0 H LYS A 43 -0.138 -4.147 -5.395 1.00 0.00 H new ATOM 0 HA LYS A 43 -2.575 -5.623 -6.275 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -1.104 -4.333 -8.047 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -0.050 -5.719 -7.852 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -1.991 -7.246 -8.306 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -3.028 -5.850 -8.527 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -2.437 -5.909 -10.722 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -0.878 -5.284 -10.224 1.00 0.00 H new ATOM 0 HE2 LYS A 43 0.053 -7.197 -11.023 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -0.694 -8.046 -9.684 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -1.311 -9.023 -11.795 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -2.681 -8.370 -11.033 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -1.957 -7.547 -12.330 1.00 0.00 H new ATOM 688 N PHE A 44 -1.720 -7.316 -4.713 1.00 0.00 N ATOM 689 CA PHE A 44 -1.288 -8.482 -3.961 1.00 0.00 C ATOM 690 C PHE A 44 -2.350 -9.582 -3.996 1.00 0.00 C ATOM 691 O PHE A 44 -3.416 -9.403 -4.585 1.00 0.00 O ATOM 692 CB PHE A 44 -1.085 -8.031 -2.514 1.00 0.00 C ATOM 693 CG PHE A 44 -2.302 -7.331 -1.904 1.00 0.00 C ATOM 694 CD1 PHE A 44 -2.706 -6.125 -2.387 1.00 0.00 C ATOM 695 CD2 PHE A 44 -2.979 -7.914 -0.880 1.00 0.00 C ATOM 696 CE1 PHE A 44 -3.835 -5.476 -1.822 1.00 0.00 C ATOM 697 CE2 PHE A 44 -4.108 -7.265 -0.314 1.00 0.00 C ATOM 698 CZ PHE A 44 -4.512 -6.059 -0.797 1.00 0.00 C ATOM 0 H PHE A 44 -2.684 -7.031 -4.542 1.00 0.00 H new ATOM 0 HA PHE A 44 -0.372 -8.885 -4.394 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -0.835 -8.900 -1.905 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -0.231 -7.355 -2.471 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -2.168 -5.661 -3.200 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -2.658 -8.871 -0.497 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -4.156 -4.519 -2.206 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -4.646 -7.729 0.500 1.00 0.00 H new ATOM 0 HZ PHE A 44 -5.370 -5.565 -0.366 1.00 0.00 H new ATOM 708 N ASP A 45 -2.024 -10.697 -3.359 1.00 0.00 N ATOM 709 CA ASP A 45 -2.937 -11.826 -3.310 1.00 0.00 C ATOM 710 C ASP A 45 -3.738 -11.772 -2.007 1.00 0.00 C ATOM 711 O ASP A 45 -3.162 -11.720 -0.922 1.00 0.00 O ATOM 712 CB ASP A 45 -2.175 -13.152 -3.341 1.00 0.00 C ATOM 713 CG ASP A 45 -3.052 -14.404 -3.274 1.00 0.00 C ATOM 714 OD1 ASP A 45 -4.288 -14.227 -3.201 1.00 0.00 O ATOM 715 OD2 ASP A 45 -2.468 -15.508 -3.296 1.00 0.00 O ATOM 0 H ASP A 45 -1.140 -10.843 -2.872 1.00 0.00 H new ATOM 0 HA ASP A 45 -3.594 -11.767 -4.178 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -1.581 -13.191 -4.254 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -1.476 -13.171 -2.505 1.00 0.00 H new ATOM 720 N GLU A 46 -5.054 -11.786 -2.159 1.00 0.00 N ATOM 721 CA GLU A 46 -5.940 -11.740 -1.008 1.00 0.00 C ATOM 722 C GLU A 46 -5.986 -13.104 -0.317 1.00 0.00 C ATOM 723 O GLU A 46 -6.603 -13.251 0.736 1.00 0.00 O ATOM 724 CB GLU A 46 -7.343 -11.284 -1.414 1.00 0.00 C ATOM 725 CG GLU A 46 -7.926 -10.318 -0.381 1.00 0.00 C ATOM 726 CD GLU A 46 -8.764 -9.231 -1.058 1.00 0.00 C ATOM 727 OE1 GLU A 46 -9.930 -9.537 -1.389 1.00 0.00 O ATOM 728 OE2 GLU A 46 -8.219 -8.119 -1.228 1.00 0.00 O ATOM 0 H GLU A 46 -5.528 -11.829 -3.061 1.00 0.00 H new ATOM 0 HA GLU A 46 -5.546 -11.010 -0.301 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -7.304 -10.799 -2.389 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -7.996 -12.151 -1.516 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -8.543 -10.868 0.329 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -7.118 -9.858 0.188 1.00 0.00 H new ATOM 735 N ALA A 47 -5.324 -14.069 -0.939 1.00 0.00 N ATOM 736 CA ALA A 47 -5.281 -15.416 -0.398 1.00 0.00 C ATOM 737 C ALA A 47 -4.191 -15.497 0.674 1.00 0.00 C ATOM 738 O ALA A 47 -4.322 -16.243 1.642 1.00 0.00 O ATOM 739 CB ALA A 47 -5.056 -16.416 -1.534 1.00 0.00 C ATOM 0 H ALA A 47 -4.813 -13.944 -1.813 1.00 0.00 H new ATOM 0 HA ALA A 47 -6.229 -15.669 0.076 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -5.024 -17.427 -1.128 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -5.872 -16.340 -2.253 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -4.112 -16.195 -2.032 1.00 0.00 H new ATOM 745 N ASN A 48 -3.141 -14.717 0.463 1.00 0.00 N ATOM 746 CA ASN A 48 -2.029 -14.690 1.399 1.00 0.00 C ATOM 747 C ASN A 48 -2.056 -13.374 2.179 1.00 0.00 C ATOM 748 O ASN A 48 -2.353 -13.362 3.372 1.00 0.00 O ATOM 749 CB ASN A 48 -0.690 -14.778 0.666 1.00 0.00 C ATOM 750 CG ASN A 48 -0.883 -15.265 -0.772 1.00 0.00 C ATOM 751 OD1 ASN A 48 -1.744 -16.076 -1.070 1.00 0.00 O ATOM 752 ND2 ASN A 48 -0.035 -14.726 -1.644 1.00 0.00 N ATOM 0 H ASN A 48 -3.036 -14.099 -0.342 1.00 0.00 H new ATOM 0 HA ASN A 48 -2.131 -15.545 2.068 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -0.209 -13.800 0.661 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -0.024 -15.458 1.198 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -0.082 -14.986 -2.629 1.00 0.00 H new ATOM 0 HD22 ASN A 48 0.662 -14.052 -1.327 1.00 0.00 H new ATOM 759 N VAL A 49 -1.742 -12.299 1.472 1.00 0.00 N ATOM 760 CA VAL A 49 -1.726 -10.980 2.083 1.00 0.00 C ATOM 761 C VAL A 49 -3.119 -10.357 1.977 1.00 0.00 C ATOM 762 O VAL A 49 -3.891 -10.702 1.084 1.00 0.00 O ATOM 763 CB VAL A 49 -0.636 -10.119 1.441 1.00 0.00 C ATOM 764 CG1 VAL A 49 -0.823 -8.643 1.796 1.00 0.00 C ATOM 765 CG2 VAL A 49 0.757 -10.608 1.845 1.00 0.00 C ATOM 0 H VAL A 49 -1.497 -12.314 0.482 1.00 0.00 H new ATOM 0 HA VAL A 49 -1.482 -11.053 3.143 1.00 0.00 H new ATOM 0 HB VAL A 49 -0.725 -10.217 0.359 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -0.035 -8.053 1.327 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -1.794 -8.302 1.436 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -0.773 -8.520 2.878 1.00 0.00 H new ATOM 0 HG21 VAL A 49 1.514 -9.979 1.375 1.00 0.00 H new ATOM 0 HG22 VAL A 49 0.862 -10.554 2.929 1.00 0.00 H new ATOM 0 HG23 VAL A 49 0.889 -11.640 1.519 1.00 0.00 H new ATOM 775 N GLN A 50 -3.399 -9.450 2.901 1.00 0.00 N ATOM 776 CA GLN A 50 -4.685 -8.776 2.923 1.00 0.00 C ATOM 777 C GLN A 50 -4.489 -7.260 2.991 1.00 0.00 C ATOM 778 O GLN A 50 -3.448 -6.784 3.441 1.00 0.00 O ATOM 779 CB GLN A 50 -5.544 -9.270 4.089 1.00 0.00 C ATOM 780 CG GLN A 50 -6.079 -10.677 3.818 1.00 0.00 C ATOM 781 CD GLN A 50 -7.591 -10.653 3.582 1.00 0.00 C ATOM 782 OE1 GLN A 50 -8.076 -10.842 2.479 1.00 0.00 O ATOM 783 NE2 GLN A 50 -8.305 -10.409 4.678 1.00 0.00 N ATOM 0 H GLN A 50 -2.756 -9.166 3.640 1.00 0.00 H new ATOM 0 HA GLN A 50 -5.213 -9.014 2.000 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -4.953 -9.272 5.005 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -6.377 -8.585 4.248 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -5.578 -11.099 2.947 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -5.849 -11.326 4.663 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -7.834 -10.260 5.571 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -9.323 -10.371 4.626 1.00 0.00 H new ATOM 792 N ALA A 51 -5.506 -6.542 2.536 1.00 0.00 N ATOM 793 CA ALA A 51 -5.458 -5.090 2.539 1.00 0.00 C ATOM 794 C ALA A 51 -5.205 -4.596 3.964 1.00 0.00 C ATOM 795 O ALA A 51 -4.488 -3.616 4.167 1.00 0.00 O ATOM 796 CB ALA A 51 -6.758 -4.535 1.952 1.00 0.00 C ATOM 0 H ALA A 51 -6.368 -6.939 2.163 1.00 0.00 H new ATOM 0 HA ALA A 51 -4.639 -4.732 1.915 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -6.722 -3.446 1.954 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -6.877 -4.892 0.929 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -7.602 -4.871 2.554 1.00 0.00 H new ATOM 802 N THR A 52 -5.805 -5.296 4.915 1.00 0.00 N ATOM 803 CA THR A 52 -5.653 -4.940 6.316 1.00 0.00 C ATOM 804 C THR A 52 -4.172 -4.804 6.674 1.00 0.00 C ATOM 805 O THR A 52 -3.774 -3.843 7.330 1.00 0.00 O ATOM 806 CB THR A 52 -6.387 -5.990 7.153 1.00 0.00 C ATOM 807 OG1 THR A 52 -7.538 -5.304 7.638 1.00 0.00 O ATOM 808 CG2 THR A 52 -5.618 -6.371 8.420 1.00 0.00 C ATOM 0 H THR A 52 -6.398 -6.108 4.743 1.00 0.00 H new ATOM 0 HA THR A 52 -6.097 -3.967 6.527 1.00 0.00 H new ATOM 0 HB THR A 52 -6.556 -6.882 6.550 1.00 0.00 H new ATOM 0 HG1 THR A 52 -8.073 -5.912 8.190 1.00 0.00 H new ATOM 0 HG21 THR A 52 -6.182 -7.119 8.977 1.00 0.00 H new ATOM 0 HG22 THR A 52 -4.646 -6.780 8.146 1.00 0.00 H new ATOM 0 HG23 THR A 52 -5.478 -5.486 9.040 1.00 0.00 H new ATOM 816 N GLU A 53 -3.396 -5.781 6.227 1.00 0.00 N ATOM 817 CA GLU A 53 -1.968 -5.783 6.492 1.00 0.00 C ATOM 818 C GLU A 53 -1.292 -4.618 5.766 1.00 0.00 C ATOM 819 O GLU A 53 -0.404 -3.970 6.318 1.00 0.00 O ATOM 820 CB GLU A 53 -1.337 -7.118 6.091 1.00 0.00 C ATOM 821 CG GLU A 53 -0.673 -7.794 7.292 1.00 0.00 C ATOM 822 CD GLU A 53 0.696 -7.175 7.581 1.00 0.00 C ATOM 823 OE1 GLU A 53 0.750 -5.929 7.667 1.00 0.00 O ATOM 824 OE2 GLU A 53 1.659 -7.962 7.710 1.00 0.00 O ATOM 0 H GLU A 53 -3.730 -6.577 5.683 1.00 0.00 H new ATOM 0 HA GLU A 53 -1.818 -5.655 7.564 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -2.101 -7.775 5.676 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -0.598 -6.954 5.307 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -1.313 -7.696 8.169 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -0.560 -8.861 7.097 1.00 0.00 H new ATOM 831 N ILE A 54 -1.738 -4.387 4.541 1.00 0.00 N ATOM 832 CA ILE A 54 -1.188 -3.311 3.734 1.00 0.00 C ATOM 833 C ILE A 54 -1.528 -1.968 4.382 1.00 0.00 C ATOM 834 O ILE A 54 -0.701 -1.057 4.404 1.00 0.00 O ATOM 835 CB ILE A 54 -1.661 -3.432 2.284 1.00 0.00 C ATOM 836 CG1 ILE A 54 -1.160 -4.731 1.650 1.00 0.00 C ATOM 837 CG2 ILE A 54 -1.254 -2.202 1.470 1.00 0.00 C ATOM 838 CD1 ILE A 54 -2.149 -5.247 0.603 1.00 0.00 C ATOM 0 H ILE A 54 -2.475 -4.927 4.087 1.00 0.00 H new ATOM 0 HA ILE A 54 -0.101 -3.381 3.697 1.00 0.00 H new ATOM 0 HB ILE A 54 -2.750 -3.473 2.282 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -0.188 -4.562 1.186 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -1.017 -5.486 2.423 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -1.602 -2.314 0.443 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -1.701 -1.310 1.910 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -0.168 -2.105 1.476 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -1.769 -6.171 0.168 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -3.113 -5.438 1.076 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -2.271 -4.500 -0.181 1.00 0.00 H new ATOM 850 N CYS A 55 -2.748 -1.886 4.894 1.00 0.00 N ATOM 851 CA CYS A 55 -3.208 -0.669 5.541 1.00 0.00 C ATOM 852 C CYS A 55 -2.388 -0.463 6.816 1.00 0.00 C ATOM 853 O CYS A 55 -1.945 0.648 7.101 1.00 0.00 O ATOM 854 CB CYS A 55 -4.710 -0.715 5.829 1.00 0.00 C ATOM 855 SG CYS A 55 -5.565 0.614 4.906 1.00 0.00 S ATOM 0 H CYS A 55 -3.432 -2.643 4.874 1.00 0.00 H new ATOM 0 HA CYS A 55 -3.059 0.180 4.874 1.00 0.00 H new ATOM 0 HB2 CYS A 55 -5.114 -1.686 5.543 1.00 0.00 H new ATOM 0 HB3 CYS A 55 -4.887 -0.599 6.898 1.00 0.00 H new ATOM 0 HG CYS A 55 -5.512 0.361 3.632 1.00 0.00 H new ATOM 861 N GLN A 56 -2.212 -1.552 7.550 1.00 0.00 N ATOM 862 CA GLN A 56 -1.453 -1.505 8.788 1.00 0.00 C ATOM 863 C GLN A 56 -0.038 -0.986 8.525 1.00 0.00 C ATOM 864 O GLN A 56 0.427 -0.071 9.202 1.00 0.00 O ATOM 865 CB GLN A 56 -1.416 -2.879 9.461 1.00 0.00 C ATOM 866 CG GLN A 56 -1.664 -2.759 10.966 1.00 0.00 C ATOM 867 CD GLN A 56 -0.353 -2.869 11.748 1.00 0.00 C ATOM 868 OE1 GLN A 56 0.099 -3.944 12.104 1.00 0.00 O ATOM 869 NE2 GLN A 56 0.230 -1.699 11.994 1.00 0.00 N ATOM 0 H GLN A 56 -2.582 -2.472 7.311 1.00 0.00 H new ATOM 0 HA GLN A 56 -1.951 -0.815 9.470 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -2.171 -3.527 9.015 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -0.448 -3.348 9.285 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -2.143 -1.805 11.184 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -2.351 -3.541 11.289 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -0.202 -0.835 11.667 1.00 0.00 H new ATOM 0 HE22 GLN A 56 1.110 -1.666 12.510 1.00 0.00 H new ATOM 878 N ALA A 57 0.606 -1.593 7.539 1.00 0.00 N ATOM 879 CA ALA A 57 1.959 -1.203 7.177 1.00 0.00 C ATOM 880 C ALA A 57 2.012 0.313 6.977 1.00 0.00 C ATOM 881 O ALA A 57 3.030 0.944 7.255 1.00 0.00 O ATOM 882 CB ALA A 57 2.395 -1.972 5.929 1.00 0.00 C ATOM 0 H ALA A 57 0.217 -2.352 6.980 1.00 0.00 H new ATOM 0 HA ALA A 57 2.658 -1.454 7.975 1.00 0.00 H new ATOM 0 HB1 ALA A 57 3.409 -1.680 5.657 1.00 0.00 H new ATOM 0 HB2 ALA A 57 2.368 -3.042 6.133 1.00 0.00 H new ATOM 0 HB3 ALA A 57 1.719 -1.743 5.106 1.00 0.00 H new ATOM 888 N ILE A 58 0.902 0.853 6.495 1.00 0.00 N ATOM 889 CA ILE A 58 0.809 2.283 6.254 1.00 0.00 C ATOM 890 C ILE A 58 0.693 3.015 7.593 1.00 0.00 C ATOM 891 O ILE A 58 1.586 3.771 7.970 1.00 0.00 O ATOM 892 CB ILE A 58 -0.334 2.590 5.285 1.00 0.00 C ATOM 893 CG1 ILE A 58 -0.103 1.911 3.933 1.00 0.00 C ATOM 894 CG2 ILE A 58 -0.541 4.099 5.141 1.00 0.00 C ATOM 895 CD1 ILE A 58 -1.417 1.765 3.162 1.00 0.00 C ATOM 0 H ILE A 58 0.060 0.326 6.265 1.00 0.00 H new ATOM 0 HA ILE A 58 1.714 2.647 5.768 1.00 0.00 H new ATOM 0 HB ILE A 58 -1.254 2.178 5.700 1.00 0.00 H new ATOM 0 HG12 ILE A 58 0.605 2.495 3.345 1.00 0.00 H new ATOM 0 HG13 ILE A 58 0.344 0.929 4.087 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -1.359 4.289 4.447 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -0.783 4.527 6.114 1.00 0.00 H new ATOM 0 HG23 ILE A 58 0.372 4.557 4.760 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -1.225 1.280 2.205 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -2.114 1.160 3.742 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -1.849 2.751 2.989 1.00 0.00 H new ATOM 907 N ASN A 59 -0.415 2.764 8.274 1.00 0.00 N ATOM 908 CA ASN A 59 -0.660 3.390 9.563 1.00 0.00 C ATOM 909 C ASN A 59 0.542 3.147 10.478 1.00 0.00 C ATOM 910 O ASN A 59 0.807 3.937 11.383 1.00 0.00 O ATOM 911 CB ASN A 59 -1.897 2.794 10.238 1.00 0.00 C ATOM 912 CG ASN A 59 -3.138 3.641 9.952 1.00 0.00 C ATOM 913 OD1 ASN A 59 -3.430 4.612 10.631 1.00 0.00 O ATOM 914 ND2 ASN A 59 -3.852 3.220 8.911 1.00 0.00 N ATOM 0 H ASN A 59 -1.154 2.136 7.958 1.00 0.00 H new ATOM 0 HA ASN A 59 -0.819 4.456 9.397 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -2.056 1.777 9.881 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -1.734 2.732 11.314 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -4.700 3.718 8.639 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -3.552 2.399 8.385 1.00 0.00 H new ATOM 921 N GLU A 60 1.237 2.051 10.212 1.00 0.00 N ATOM 922 CA GLU A 60 2.404 1.695 11.001 1.00 0.00 C ATOM 923 C GLU A 60 3.508 2.738 10.816 1.00 0.00 C ATOM 924 O GLU A 60 4.494 2.740 11.551 1.00 0.00 O ATOM 925 CB GLU A 60 2.905 0.296 10.638 1.00 0.00 C ATOM 926 CG GLU A 60 3.949 -0.191 11.644 1.00 0.00 C ATOM 927 CD GLU A 60 5.105 -0.901 10.935 1.00 0.00 C ATOM 928 OE1 GLU A 60 4.811 -1.864 10.195 1.00 0.00 O ATOM 929 OE2 GLU A 60 6.256 -0.463 11.149 1.00 0.00 O ATOM 0 H GLU A 60 1.014 1.398 9.461 1.00 0.00 H new ATOM 0 HA GLU A 60 2.117 1.681 12.052 1.00 0.00 H new ATOM 0 HB2 GLU A 60 2.066 -0.400 10.614 1.00 0.00 H new ATOM 0 HB3 GLU A 60 3.337 0.309 9.637 1.00 0.00 H new ATOM 0 HG2 GLU A 60 4.332 0.655 12.214 1.00 0.00 H new ATOM 0 HG3 GLU A 60 3.483 -0.871 12.357 1.00 0.00 H new ATOM 936 N LEU A 61 3.306 3.599 9.829 1.00 0.00 N ATOM 937 CA LEU A 61 4.272 4.644 9.539 1.00 0.00 C ATOM 938 C LEU A 61 4.015 5.840 10.457 1.00 0.00 C ATOM 939 O LEU A 61 4.740 6.049 11.428 1.00 0.00 O ATOM 940 CB LEU A 61 4.249 4.996 8.050 1.00 0.00 C ATOM 941 CG LEU A 61 4.312 3.814 7.080 1.00 0.00 C ATOM 942 CD1 LEU A 61 3.902 4.240 5.669 1.00 0.00 C ATOM 943 CD2 LEU A 61 5.695 3.160 7.102 1.00 0.00 C ATOM 0 H LEU A 61 2.487 3.594 9.220 1.00 0.00 H new ATOM 0 HA LEU A 61 5.284 4.295 9.746 1.00 0.00 H new ATOM 0 HB2 LEU A 61 3.340 5.561 7.845 1.00 0.00 H new ATOM 0 HB3 LEU A 61 5.089 5.658 7.840 1.00 0.00 H new ATOM 0 HG LEU A 61 3.595 3.062 7.410 1.00 0.00 H new ATOM 0 HD11 LEU A 61 3.956 3.381 5.000 1.00 0.00 H new ATOM 0 HD12 LEU A 61 2.882 4.623 5.687 1.00 0.00 H new ATOM 0 HD13 LEU A 61 4.576 5.019 5.314 1.00 0.00 H new ATOM 0 HD21 LEU A 61 5.713 2.323 6.404 1.00 0.00 H new ATOM 0 HD22 LEU A 61 6.448 3.892 6.810 1.00 0.00 H new ATOM 0 HD23 LEU A 61 5.911 2.799 8.107 1.00 0.00 H new ATOM 955 N GLY A 62 2.979 6.595 10.118 1.00 0.00 N ATOM 956 CA GLY A 62 2.617 7.764 10.900 1.00 0.00 C ATOM 957 C GLY A 62 1.627 8.648 10.139 1.00 0.00 C ATOM 958 O GLY A 62 1.727 9.873 10.177 1.00 0.00 O ATOM 0 H GLY A 62 2.379 6.419 9.312 1.00 0.00 H new ATOM 0 HA2 GLY A 62 2.177 7.451 11.847 1.00 0.00 H new ATOM 0 HA3 GLY A 62 3.513 8.337 11.139 1.00 0.00 H new ATOM 962 N TYR A 63 0.694 7.991 9.465 1.00 0.00 N ATOM 963 CA TYR A 63 -0.313 8.702 8.696 1.00 0.00 C ATOM 964 C TYR A 63 -1.657 7.973 8.747 1.00 0.00 C ATOM 965 O TYR A 63 -1.810 6.995 9.478 1.00 0.00 O ATOM 966 CB TYR A 63 0.191 8.716 7.251 1.00 0.00 C ATOM 967 CG TYR A 63 1.714 8.637 7.123 1.00 0.00 C ATOM 968 CD1 TYR A 63 2.500 9.668 7.597 1.00 0.00 C ATOM 969 CD2 TYR A 63 2.300 7.536 6.534 1.00 0.00 C ATOM 970 CE1 TYR A 63 3.933 9.594 7.476 1.00 0.00 C ATOM 971 CE2 TYR A 63 3.733 7.462 6.413 1.00 0.00 C ATOM 972 CZ TYR A 63 4.479 8.494 6.890 1.00 0.00 C ATOM 973 OH TYR A 63 5.833 8.424 6.776 1.00 0.00 O ATOM 0 H TYR A 63 0.614 6.975 9.436 1.00 0.00 H new ATOM 0 HA TYR A 63 -0.464 9.705 9.096 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -0.253 7.878 6.714 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -0.158 9.627 6.764 1.00 0.00 H new ATOM 0 HD1 TYR A 63 2.040 10.530 8.058 1.00 0.00 H new ATOM 0 HD2 TYR A 63 1.684 6.730 6.164 1.00 0.00 H new ATOM 0 HE1 TYR A 63 4.560 10.393 7.842 1.00 0.00 H new ATOM 0 HE2 TYR A 63 4.205 6.606 5.954 1.00 0.00 H new ATOM 0 HH TYR A 63 6.249 8.914 7.516 1.00 0.00 H new ATOM 983 N GLN A 64 -2.598 8.477 7.961 1.00 0.00 N ATOM 984 CA GLN A 64 -3.924 7.886 7.908 1.00 0.00 C ATOM 985 C GLN A 64 -4.114 7.125 6.594 1.00 0.00 C ATOM 986 O GLN A 64 -3.765 7.627 5.526 1.00 0.00 O ATOM 987 CB GLN A 64 -5.007 8.952 8.085 1.00 0.00 C ATOM 988 CG GLN A 64 -4.507 10.100 8.964 1.00 0.00 C ATOM 989 CD GLN A 64 -5.542 10.464 10.031 1.00 0.00 C ATOM 990 OE1 GLN A 64 -5.717 9.776 11.023 1.00 0.00 O ATOM 991 NE2 GLN A 64 -6.215 11.582 9.773 1.00 0.00 N ATOM 0 H GLN A 64 -2.468 9.288 7.356 1.00 0.00 H new ATOM 0 HA GLN A 64 -4.018 7.179 8.732 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -5.305 9.338 7.110 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -5.893 8.504 8.535 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -3.570 9.815 9.443 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -4.296 10.972 8.345 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -6.019 12.111 8.923 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -6.927 11.910 10.425 1.00 0.00 H new ATOM 1000 N ALA A 65 -4.666 5.927 6.715 1.00 0.00 N ATOM 1001 CA ALA A 65 -4.906 5.092 5.550 1.00 0.00 C ATOM 1002 C ALA A 65 -6.196 4.295 5.756 1.00 0.00 C ATOM 1003 O ALA A 65 -6.405 3.710 6.817 1.00 0.00 O ATOM 1004 CB ALA A 65 -3.695 4.189 5.310 1.00 0.00 C ATOM 0 H ALA A 65 -4.954 5.514 7.602 1.00 0.00 H new ATOM 0 HA ALA A 65 -5.036 5.706 4.659 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -3.875 3.563 4.436 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -2.811 4.804 5.140 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -3.534 3.556 6.183 1.00 0.00 H new ATOM 1010 N GLU A 66 -7.027 4.298 4.724 1.00 0.00 N ATOM 1011 CA GLU A 66 -8.291 3.583 4.779 1.00 0.00 C ATOM 1012 C GLU A 66 -8.407 2.620 3.595 1.00 0.00 C ATOM 1013 O GLU A 66 -7.984 2.941 2.485 1.00 0.00 O ATOM 1014 CB GLU A 66 -9.471 4.555 4.813 1.00 0.00 C ATOM 1015 CG GLU A 66 -10.270 4.403 6.108 1.00 0.00 C ATOM 1016 CD GLU A 66 -10.997 5.702 6.460 1.00 0.00 C ATOM 1017 OE1 GLU A 66 -12.042 5.958 5.824 1.00 0.00 O ATOM 1018 OE2 GLU A 66 -10.492 6.410 7.357 1.00 0.00 O ATOM 0 H GLU A 66 -6.850 4.784 3.845 1.00 0.00 H new ATOM 0 HA GLU A 66 -8.317 3.001 5.700 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -9.106 5.578 4.725 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -10.121 4.373 3.957 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -10.994 3.595 6.000 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -9.600 4.125 6.922 1.00 0.00 H new ATOM 1025 N VAL A 67 -8.983 1.459 3.872 1.00 0.00 N ATOM 1026 CA VAL A 67 -9.160 0.448 2.843 1.00 0.00 C ATOM 1027 C VAL A 67 -10.323 0.850 1.934 1.00 0.00 C ATOM 1028 O VAL A 67 -11.455 0.993 2.394 1.00 0.00 O ATOM 1029 CB VAL A 67 -9.353 -0.926 3.488 1.00 0.00 C ATOM 1030 CG1 VAL A 67 -9.631 -1.994 2.429 1.00 0.00 C ATOM 1031 CG2 VAL A 67 -8.143 -1.304 4.345 1.00 0.00 C ATOM 0 H VAL A 67 -9.333 1.196 4.793 1.00 0.00 H new ATOM 0 HA VAL A 67 -8.269 0.378 2.219 1.00 0.00 H new ATOM 0 HB VAL A 67 -10.222 -0.870 4.143 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -9.764 -2.961 2.914 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -10.537 -1.735 1.880 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -8.790 -2.048 1.737 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -8.306 -2.285 4.792 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -7.250 -1.333 3.721 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -8.010 -0.563 5.134 1.00 0.00 H new ATOM 1041 N ILE A 68 -10.004 1.021 0.660 1.00 0.00 N ATOM 1042 CA ILE A 68 -11.009 1.404 -0.318 1.00 0.00 C ATOM 1043 C ILE A 68 -11.082 0.337 -1.412 1.00 0.00 C ATOM 1044 O ILE A 68 -12.137 0.124 -2.007 1.00 0.00 O ATOM 1045 CB ILE A 68 -10.730 2.811 -0.850 1.00 0.00 C ATOM 1046 CG1 ILE A 68 -11.348 3.874 0.061 1.00 0.00 C ATOM 1047 CG2 ILE A 68 -11.201 2.954 -2.298 1.00 0.00 C ATOM 1048 CD1 ILE A 68 -10.888 3.690 1.509 1.00 0.00 C ATOM 0 H ILE A 68 -9.064 0.902 0.282 1.00 0.00 H new ATOM 0 HA ILE A 68 -11.994 1.453 0.147 1.00 0.00 H new ATOM 0 HB ILE A 68 -9.652 2.970 -0.845 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -11.067 4.867 -0.290 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -12.435 3.814 0.011 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -10.991 3.964 -2.651 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -10.675 2.234 -2.924 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -12.273 2.767 -2.352 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -11.342 4.458 2.135 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -11.192 2.706 1.865 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -9.802 3.775 1.560 1.00 0.00 H new