USER MOD reduce.3.24.130724 H: found=0, std=0, add=908, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 907 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 37 CYS SG : rot 174:sc= 0.129 USER MOD Set 1.2: A 40 CYS SG : rot 81:sc= -0.248 USER MOD Set 2.1: A 26 LYS NZ :NH3+ -163:sc= 1.64 (180deg=0.402) USER MOD Set 2.2: A 59 THR OG1 : rot 180:sc= 0.765 USER MOD Set 3.1: A 13 THR OG1 : rot -46:sc= 0.609 USER MOD Set 3.2: A 16 SER OG : rot 180:sc= 0.955 USER MOD Set 4.1: A 4 SER OG : rot 180:sc= 0.692 USER MOD Set 4.2: A 6 LYS NZ :NH3+ -152:sc= 1.03 (180deg=0.491) USER MOD Single : A 1 MET CE :methyl -174:sc= 0 (180deg=-0.028) USER MOD Single : A 1 MET N :NH3+ -177:sc= 1.03 (180deg=1.02) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot -50:sc= 1.22 USER MOD Single : A 11 LYS NZ :NH3+ 176:sc= 1.23 (180deg=1.18) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 73:sc= 0.835 USER MOD Single : A 24 SER OG : rot 105:sc= 1.08 USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 35 THR OG1 : rot -32:sc= 0.0945 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 52 THR OG1 : rot 74:sc= 0.936 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ -165:sc= 1.27 (180deg=1.2) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 ASN : amide:sc= 0.731 K(o=0.73,f=-4.3!) USER MOD Single : A 71 THR OG1 : rot 180:sc= 0.00628 USER MOD Single : A 74 ASN : amide:sc= 0.426 X(o=0.43,f=0) USER MOD Single : A 76 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 82 THR OG1 : rot 97:sc= 1.28 USER MOD Single : A 87 LYS NZ :NH3+ -148:sc= 0 (180deg=-0.375) USER MOD Single : A 90 GLN : amide:sc= 0.826 K(o=0.83,f=0) USER MOD Single : A 93 LYS NZ :NH3+ -169:sc= 2.21 (180deg=2) USER MOD Single : A 99 LYS NZ :NH3+ 172:sc= 0.899 (180deg=0.868) USER MOD Single : A 101 LYS NZ :NH3+ -172:sc= 2.39 (180deg=1.99) USER MOD Single : A 109 SER OG : rot 42:sc= 0.837 USER MOD Single : A 114 ASN : amide:sc= 1.21 K(o=1.2,f=0) USER MOD Single : A 116 ASN : amide:sc= 0.756 K(o=0.76,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 22.645 -1.840 22.569 1.00 0.00 N ATOM 2 CA MET A 1 22.373 -0.723 23.509 1.00 0.00 C ATOM 3 C MET A 1 21.471 0.329 22.861 1.00 0.00 C ATOM 4 O MET A 1 21.526 0.527 21.645 1.00 0.00 O ATOM 5 CB MET A 1 23.657 -0.093 24.089 1.00 0.00 C ATOM 6 CG MET A 1 24.542 0.635 23.062 1.00 0.00 C ATOM 7 SD MET A 1 26.066 1.360 23.738 1.00 0.00 S ATOM 8 CE MET A 1 25.386 2.745 24.696 1.00 0.00 C ATOM 0 H1 MET A 1 23.217 -2.565 23.048 1.00 0.00 H new ATOM 0 H2 MET A 1 21.745 -2.258 22.257 1.00 0.00 H new ATOM 0 H3 MET A 1 23.164 -1.480 21.743 1.00 0.00 H new ATOM 0 HA MET A 1 21.842 -1.152 24.359 1.00 0.00 H new ATOM 0 HB2 MET A 1 23.377 0.613 24.871 1.00 0.00 H new ATOM 0 HB3 MET A 1 24.247 -0.877 24.564 1.00 0.00 H new ATOM 0 HG2 MET A 1 24.811 -0.068 22.273 1.00 0.00 H new ATOM 0 HG3 MET A 1 23.956 1.427 22.597 1.00 0.00 H new ATOM 0 HE1 MET A 1 26.202 3.353 25.086 1.00 0.00 H new ATOM 0 HE2 MET A 1 24.753 3.357 24.053 1.00 0.00 H new ATOM 0 HE3 MET A 1 24.794 2.358 25.525 1.00 0.00 H new ATOM 19 N THR A 2 20.651 1.017 23.666 1.00 0.00 N ATOM 20 CA THR A 2 19.693 2.056 23.212 1.00 0.00 C ATOM 21 C THR A 2 18.723 1.536 22.129 1.00 0.00 C ATOM 22 O THR A 2 18.404 2.214 21.151 1.00 0.00 O ATOM 23 CB THR A 2 20.408 3.373 22.826 1.00 0.00 C ATOM 24 OG1 THR A 2 21.504 3.624 23.691 1.00 0.00 O ATOM 25 CG2 THR A 2 19.498 4.600 22.948 1.00 0.00 C ATOM 0 H THR A 2 20.628 0.870 24.675 1.00 0.00 H new ATOM 0 HA THR A 2 19.060 2.301 24.064 1.00 0.00 H new ATOM 0 HB THR A 2 20.720 3.234 21.791 1.00 0.00 H new ATOM 0 HG1 THR A 2 21.943 4.460 23.429 1.00 0.00 H new ATOM 0 HG21 THR A 2 20.053 5.494 22.665 1.00 0.00 H new ATOM 0 HG22 THR A 2 18.638 4.482 22.288 1.00 0.00 H new ATOM 0 HG23 THR A 2 19.155 4.697 23.978 1.00 0.00 H new ATOM 33 N ASP A 3 18.285 0.282 22.279 1.00 0.00 N ATOM 34 CA ASP A 3 17.452 -0.447 21.313 1.00 0.00 C ATOM 35 C ASP A 3 15.958 -0.074 21.406 1.00 0.00 C ATOM 36 O ASP A 3 15.470 0.364 22.452 1.00 0.00 O ATOM 37 CB ASP A 3 17.656 -1.959 21.503 1.00 0.00 C ATOM 38 CG ASP A 3 19.104 -2.389 21.227 1.00 0.00 C ATOM 39 OD1 ASP A 3 19.443 -2.665 20.051 1.00 0.00 O ATOM 40 OD2 ASP A 3 19.914 -2.453 22.185 1.00 0.00 O ATOM 0 H ASP A 3 18.508 -0.274 23.105 1.00 0.00 H new ATOM 0 HA ASP A 3 17.772 -0.155 20.313 1.00 0.00 H new ATOM 0 HB2 ASP A 3 17.385 -2.235 22.522 1.00 0.00 H new ATOM 0 HB3 ASP A 3 16.985 -2.501 20.837 1.00 0.00 H new ATOM 45 N SER A 4 15.219 -0.276 20.309 1.00 0.00 N ATOM 46 CA SER A 4 13.779 -0.009 20.192 1.00 0.00 C ATOM 47 C SER A 4 13.108 -0.993 19.226 1.00 0.00 C ATOM 48 O SER A 4 13.696 -1.384 18.213 1.00 0.00 O ATOM 49 CB SER A 4 13.541 1.439 19.737 1.00 0.00 C ATOM 50 OG SER A 4 14.194 1.728 18.505 1.00 0.00 O ATOM 0 H SER A 4 15.621 -0.643 19.447 1.00 0.00 H new ATOM 0 HA SER A 4 13.329 -0.147 21.175 1.00 0.00 H new ATOM 0 HB2 SER A 4 12.470 1.613 19.629 1.00 0.00 H new ATOM 0 HB3 SER A 4 13.899 2.124 20.506 1.00 0.00 H new ATOM 0 HG SER A 4 14.016 2.658 18.251 1.00 0.00 H new ATOM 56 N GLU A 5 11.865 -1.386 19.518 1.00 0.00 N ATOM 57 CA GLU A 5 11.082 -2.294 18.659 1.00 0.00 C ATOM 58 C GLU A 5 10.507 -1.577 17.424 1.00 0.00 C ATOM 59 O GLU A 5 10.407 -2.184 16.355 1.00 0.00 O ATOM 60 CB GLU A 5 9.949 -2.945 19.472 1.00 0.00 C ATOM 61 CG GLU A 5 10.453 -3.854 20.584 1.00 0.00 C ATOM 62 CD GLU A 5 9.290 -4.559 21.311 1.00 0.00 C ATOM 63 OE1 GLU A 5 8.710 -3.968 22.257 1.00 0.00 O ATOM 64 OE2 GLU A 5 8.953 -5.714 20.952 1.00 0.00 O ATOM 0 H GLU A 5 11.368 -1.086 20.357 1.00 0.00 H new ATOM 0 HA GLU A 5 11.761 -3.066 18.297 1.00 0.00 H new ATOM 0 HB2 GLU A 5 9.326 -2.163 19.906 1.00 0.00 H new ATOM 0 HB3 GLU A 5 9.314 -3.522 18.800 1.00 0.00 H new ATOM 0 HG2 GLU A 5 11.128 -4.601 20.166 1.00 0.00 H new ATOM 0 HG3 GLU A 5 11.029 -3.269 21.300 1.00 0.00 H new ATOM 71 N LYS A 6 10.183 -0.278 17.568 1.00 0.00 N ATOM 72 CA LYS A 6 9.782 0.681 16.511 1.00 0.00 C ATOM 73 C LYS A 6 8.866 0.115 15.406 1.00 0.00 C ATOM 74 O LYS A 6 9.082 0.351 14.216 1.00 0.00 O ATOM 75 CB LYS A 6 11.014 1.463 15.999 1.00 0.00 C ATOM 76 CG LYS A 6 12.157 0.588 15.461 1.00 0.00 C ATOM 77 CD LYS A 6 13.355 1.446 15.030 1.00 0.00 C ATOM 78 CE LYS A 6 14.643 0.620 14.904 1.00 0.00 C ATOM 79 NZ LYS A 6 15.122 0.135 16.226 1.00 0.00 N ATOM 0 H LYS A 6 10.194 0.163 18.488 1.00 0.00 H new ATOM 0 HA LYS A 6 9.112 1.400 16.984 1.00 0.00 H new ATOM 0 HB2 LYS A 6 10.693 2.142 15.209 1.00 0.00 H new ATOM 0 HB3 LYS A 6 11.399 2.079 16.812 1.00 0.00 H new ATOM 0 HG2 LYS A 6 12.470 -0.119 16.229 1.00 0.00 H new ATOM 0 HG3 LYS A 6 11.802 0.002 14.613 1.00 0.00 H new ATOM 0 HD2 LYS A 6 13.135 1.921 14.074 1.00 0.00 H new ATOM 0 HD3 LYS A 6 13.507 2.245 15.755 1.00 0.00 H new ATOM 0 HE2 LYS A 6 14.465 -0.232 14.247 1.00 0.00 H new ATOM 0 HE3 LYS A 6 15.419 1.226 14.437 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 16.155 0.016 16.199 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 14.872 0.827 16.961 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 14.674 -0.778 16.444 1.00 0.00 H new ATOM 93 N SER A 7 7.840 -0.641 15.806 1.00 0.00 N ATOM 94 CA SER A 7 6.923 -1.348 14.899 1.00 0.00 C ATOM 95 C SER A 7 6.149 -0.413 13.963 1.00 0.00 C ATOM 96 O SER A 7 5.773 0.702 14.338 1.00 0.00 O ATOM 97 CB SER A 7 5.907 -2.185 15.683 1.00 0.00 C ATOM 98 OG SER A 7 6.565 -3.075 16.575 1.00 0.00 O ATOM 0 H SER A 7 7.616 -0.784 16.791 1.00 0.00 H new ATOM 0 HA SER A 7 7.563 -1.987 14.291 1.00 0.00 H new ATOM 0 HB2 SER A 7 5.243 -1.527 16.243 1.00 0.00 H new ATOM 0 HB3 SER A 7 5.285 -2.752 14.990 1.00 0.00 H new ATOM 0 HG SER A 7 5.898 -3.598 17.066 1.00 0.00 H new ATOM 104 N ALA A 8 5.884 -0.898 12.749 1.00 0.00 N ATOM 105 CA ALA A 8 5.190 -0.180 11.684 1.00 0.00 C ATOM 106 C ALA A 8 4.186 -1.072 10.918 1.00 0.00 C ATOM 107 O ALA A 8 4.041 -2.263 11.201 1.00 0.00 O ATOM 108 CB ALA A 8 6.264 0.432 10.776 1.00 0.00 C ATOM 0 H ALA A 8 6.159 -1.840 12.472 1.00 0.00 H new ATOM 0 HA ALA A 8 4.569 0.610 12.106 1.00 0.00 H new ATOM 0 HB1 ALA A 8 5.785 0.979 9.964 1.00 0.00 H new ATOM 0 HB2 ALA A 8 6.886 1.114 11.356 1.00 0.00 H new ATOM 0 HB3 ALA A 8 6.885 -0.362 10.361 1.00 0.00 H new ATOM 114 N THR A 9 3.519 -0.466 9.931 1.00 0.00 N ATOM 115 CA THR A 9 2.376 -0.954 9.121 1.00 0.00 C ATOM 116 C THR A 9 1.027 -0.975 9.851 1.00 0.00 C ATOM 117 O THR A 9 0.952 -1.171 11.067 1.00 0.00 O ATOM 118 CB THR A 9 2.606 -2.278 8.354 1.00 0.00 C ATOM 119 OG1 THR A 9 2.606 -3.399 9.206 1.00 0.00 O ATOM 120 CG2 THR A 9 3.891 -2.309 7.530 1.00 0.00 C ATOM 0 H THR A 9 3.786 0.475 9.643 1.00 0.00 H new ATOM 0 HA THR A 9 2.319 -0.174 8.362 1.00 0.00 H new ATOM 0 HB THR A 9 1.760 -2.326 7.669 1.00 0.00 H new ATOM 0 HG1 THR A 9 3.216 -3.240 9.956 1.00 0.00 H new ATOM 0 HG21 THR A 9 3.976 -3.271 7.025 1.00 0.00 H new ATOM 0 HG22 THR A 9 3.867 -1.510 6.789 1.00 0.00 H new ATOM 0 HG23 THR A 9 4.749 -2.168 8.188 1.00 0.00 H new ATOM 128 N ILE A 10 -0.051 -0.790 9.080 1.00 0.00 N ATOM 129 CA ILE A 10 -1.459 -0.909 9.499 1.00 0.00 C ATOM 130 C ILE A 10 -2.265 -1.714 8.467 1.00 0.00 C ATOM 131 O ILE A 10 -1.891 -1.778 7.294 1.00 0.00 O ATOM 132 CB ILE A 10 -2.110 0.477 9.758 1.00 0.00 C ATOM 133 CG1 ILE A 10 -2.152 1.366 8.492 1.00 0.00 C ATOM 134 CG2 ILE A 10 -1.412 1.191 10.929 1.00 0.00 C ATOM 135 CD1 ILE A 10 -2.939 2.672 8.663 1.00 0.00 C ATOM 0 H ILE A 10 0.036 -0.540 8.095 1.00 0.00 H new ATOM 0 HA ILE A 10 -1.473 -1.449 10.446 1.00 0.00 H new ATOM 0 HB ILE A 10 -3.149 0.298 10.033 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -1.131 1.607 8.198 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -2.593 0.794 7.675 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -1.881 2.160 11.096 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -1.501 0.585 11.830 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -0.358 1.334 10.691 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -2.918 3.234 7.729 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -3.972 2.443 8.925 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -2.487 3.268 9.456 1.00 0.00 H new ATOM 147 N LYS A 11 -3.392 -2.304 8.878 1.00 0.00 N ATOM 148 CA LYS A 11 -4.372 -2.918 7.964 1.00 0.00 C ATOM 149 C LYS A 11 -5.615 -2.034 7.831 1.00 0.00 C ATOM 150 O LYS A 11 -6.090 -1.481 8.824 1.00 0.00 O ATOM 151 CB LYS A 11 -4.721 -4.349 8.406 1.00 0.00 C ATOM 152 CG LYS A 11 -3.478 -5.259 8.449 1.00 0.00 C ATOM 153 CD LYS A 11 -3.822 -6.743 8.645 1.00 0.00 C ATOM 154 CE LYS A 11 -4.464 -7.321 7.378 1.00 0.00 C ATOM 155 NZ LYS A 11 -4.749 -8.772 7.491 1.00 0.00 N ATOM 0 H LYS A 11 -3.656 -2.372 9.861 1.00 0.00 H new ATOM 0 HA LYS A 11 -3.921 -2.994 6.975 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -5.184 -4.321 9.392 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -5.456 -4.771 7.721 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -2.918 -5.142 7.521 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -2.825 -4.934 9.259 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -2.919 -7.302 8.889 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -4.504 -6.855 9.488 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -5.392 -6.788 7.170 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -3.801 -7.150 6.530 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -5.243 -9.096 6.635 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -3.856 -9.294 7.594 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -5.349 -8.944 8.323 1.00 0.00 H new ATOM 169 N VAL A 12 -6.139 -1.911 6.612 1.00 0.00 N ATOM 170 CA VAL A 12 -7.342 -1.129 6.270 1.00 0.00 C ATOM 171 C VAL A 12 -8.378 -1.999 5.550 1.00 0.00 C ATOM 172 O VAL A 12 -8.038 -3.006 4.925 1.00 0.00 O ATOM 173 CB VAL A 12 -7.006 0.153 5.474 1.00 0.00 C ATOM 174 CG1 VAL A 12 -6.175 1.122 6.323 1.00 0.00 C ATOM 175 CG2 VAL A 12 -6.253 -0.110 4.164 1.00 0.00 C ATOM 0 H VAL A 12 -5.726 -2.368 5.799 1.00 0.00 H new ATOM 0 HA VAL A 12 -7.786 -0.795 7.207 1.00 0.00 H new ATOM 0 HB VAL A 12 -7.972 0.590 5.220 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -5.951 2.016 5.741 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -6.738 1.400 7.214 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -5.244 0.639 6.619 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -6.053 0.837 3.663 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -5.310 -0.612 4.381 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -6.860 -0.742 3.516 1.00 0.00 H new ATOM 185 N THR A 13 -9.653 -1.632 5.670 1.00 0.00 N ATOM 186 CA THR A 13 -10.812 -2.383 5.153 1.00 0.00 C ATOM 187 C THR A 13 -11.779 -1.474 4.396 1.00 0.00 C ATOM 188 O THR A 13 -11.692 -0.250 4.497 1.00 0.00 O ATOM 189 CB THR A 13 -11.577 -3.090 6.288 1.00 0.00 C ATOM 190 OG1 THR A 13 -12.221 -2.153 7.127 1.00 0.00 O ATOM 191 CG2 THR A 13 -10.698 -3.989 7.158 1.00 0.00 C ATOM 0 H THR A 13 -9.925 -0.772 6.147 1.00 0.00 H new ATOM 0 HA THR A 13 -10.414 -3.131 4.467 1.00 0.00 H new ATOM 0 HB THR A 13 -12.307 -3.723 5.783 1.00 0.00 H new ATOM 0 HG1 THR A 13 -11.601 -1.424 7.340 1.00 0.00 H new ATOM 0 HG21 THR A 13 -11.307 -4.452 7.935 1.00 0.00 H new ATOM 0 HG22 THR A 13 -10.247 -4.765 6.540 1.00 0.00 H new ATOM 0 HG23 THR A 13 -9.912 -3.392 7.621 1.00 0.00 H new ATOM 199 N ASP A 14 -12.773 -2.041 3.710 1.00 0.00 N ATOM 200 CA ASP A 14 -13.860 -1.265 3.090 1.00 0.00 C ATOM 201 C ASP A 14 -14.623 -0.372 4.101 1.00 0.00 C ATOM 202 O ASP A 14 -15.171 0.667 3.728 1.00 0.00 O ATOM 203 CB ASP A 14 -14.807 -2.230 2.357 1.00 0.00 C ATOM 204 CG ASP A 14 -15.878 -1.475 1.552 1.00 0.00 C ATOM 205 OD1 ASP A 14 -15.519 -0.774 0.575 1.00 0.00 O ATOM 206 OD2 ASP A 14 -17.082 -1.599 1.884 1.00 0.00 O ATOM 0 H ASP A 14 -12.851 -3.048 3.566 1.00 0.00 H new ATOM 0 HA ASP A 14 -13.417 -0.572 2.375 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -14.230 -2.867 1.687 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -15.291 -2.885 3.081 1.00 0.00 H new ATOM 211 N ALA A 15 -14.619 -0.740 5.390 1.00 0.00 N ATOM 212 CA ALA A 15 -15.203 0.032 6.489 1.00 0.00 C ATOM 213 C ALA A 15 -14.280 1.128 7.085 1.00 0.00 C ATOM 214 O ALA A 15 -14.769 1.971 7.842 1.00 0.00 O ATOM 215 CB ALA A 15 -15.665 -0.962 7.563 1.00 0.00 C ATOM 0 H ALA A 15 -14.194 -1.613 5.704 1.00 0.00 H new ATOM 0 HA ALA A 15 -16.041 0.599 6.085 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -16.106 -0.417 8.398 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -16.407 -1.638 7.138 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -14.810 -1.538 7.917 1.00 0.00 H new ATOM 221 N SER A 16 -12.972 1.132 6.784 1.00 0.00 N ATOM 222 CA SER A 16 -11.966 1.987 7.454 1.00 0.00 C ATOM 223 C SER A 16 -10.972 2.714 6.534 1.00 0.00 C ATOM 224 O SER A 16 -10.304 3.650 6.982 1.00 0.00 O ATOM 225 CB SER A 16 -11.199 1.165 8.497 1.00 0.00 C ATOM 226 OG SER A 16 -10.474 0.096 7.903 1.00 0.00 O ATOM 0 H SER A 16 -12.573 0.535 6.059 1.00 0.00 H new ATOM 0 HA SER A 16 -12.548 2.785 7.916 1.00 0.00 H new ATOM 0 HB2 SER A 16 -10.510 1.815 9.036 1.00 0.00 H new ATOM 0 HB3 SER A 16 -11.899 0.765 9.230 1.00 0.00 H new ATOM 0 HG SER A 16 -9.998 -0.403 8.599 1.00 0.00 H new ATOM 232 N PHE A 17 -10.892 2.358 5.246 1.00 0.00 N ATOM 233 CA PHE A 17 -9.942 2.921 4.275 1.00 0.00 C ATOM 234 C PHE A 17 -10.022 4.450 4.206 1.00 0.00 C ATOM 235 O PHE A 17 -8.994 5.123 4.211 1.00 0.00 O ATOM 236 CB PHE A 17 -10.218 2.291 2.899 1.00 0.00 C ATOM 237 CG PHE A 17 -9.203 2.599 1.811 1.00 0.00 C ATOM 238 CD1 PHE A 17 -9.190 3.854 1.167 1.00 0.00 C ATOM 239 CD2 PHE A 17 -8.306 1.599 1.394 1.00 0.00 C ATOM 240 CE1 PHE A 17 -8.271 4.109 0.134 1.00 0.00 C ATOM 241 CE2 PHE A 17 -7.420 1.840 0.330 1.00 0.00 C ATOM 242 CZ PHE A 17 -7.394 3.098 -0.293 1.00 0.00 C ATOM 0 H PHE A 17 -11.503 1.651 4.838 1.00 0.00 H new ATOM 0 HA PHE A 17 -8.928 2.684 4.597 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -10.274 1.209 3.021 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -11.198 2.624 2.559 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -9.888 4.621 1.468 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -8.298 0.642 1.894 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -8.239 5.083 -0.332 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -6.758 1.057 -0.009 1.00 0.00 H new ATOM 0 HZ PHE A 17 -6.701 3.288 -1.099 1.00 0.00 H new ATOM 252 N ALA A 18 -11.228 5.025 4.204 1.00 0.00 N ATOM 253 CA ALA A 18 -11.391 6.474 4.133 1.00 0.00 C ATOM 254 C ALA A 18 -10.861 7.201 5.386 1.00 0.00 C ATOM 255 O ALA A 18 -10.269 8.274 5.270 1.00 0.00 O ATOM 256 CB ALA A 18 -12.862 6.793 3.853 1.00 0.00 C ATOM 0 H ALA A 18 -12.105 4.506 4.251 1.00 0.00 H new ATOM 0 HA ALA A 18 -10.780 6.852 3.313 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -12.996 7.873 3.798 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -13.158 6.342 2.906 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -13.481 6.391 4.656 1.00 0.00 H new ATOM 262 N THR A 19 -11.017 6.614 6.573 1.00 0.00 N ATOM 263 CA THR A 19 -10.600 7.208 7.860 1.00 0.00 C ATOM 264 C THR A 19 -9.095 7.071 8.128 1.00 0.00 C ATOM 265 O THR A 19 -8.524 7.880 8.859 1.00 0.00 O ATOM 266 CB THR A 19 -11.397 6.576 9.018 1.00 0.00 C ATOM 267 OG1 THR A 19 -12.766 6.450 8.675 1.00 0.00 O ATOM 268 CG2 THR A 19 -11.347 7.399 10.308 1.00 0.00 C ATOM 0 H THR A 19 -11.444 5.694 6.677 1.00 0.00 H new ATOM 0 HA THR A 19 -10.815 8.275 7.795 1.00 0.00 H new ATOM 0 HB THR A 19 -10.927 5.607 9.188 1.00 0.00 H new ATOM 0 HG1 THR A 19 -13.255 6.045 9.422 1.00 0.00 H new ATOM 0 HG21 THR A 19 -11.928 6.898 11.082 1.00 0.00 H new ATOM 0 HG22 THR A 19 -10.313 7.497 10.637 1.00 0.00 H new ATOM 0 HG23 THR A 19 -11.765 8.389 10.124 1.00 0.00 H new ATOM 276 N ASP A 20 -8.425 6.081 7.529 1.00 0.00 N ATOM 277 CA ASP A 20 -6.971 5.892 7.652 1.00 0.00 C ATOM 278 C ASP A 20 -6.183 6.491 6.474 1.00 0.00 C ATOM 279 O ASP A 20 -5.196 7.199 6.682 1.00 0.00 O ATOM 280 CB ASP A 20 -6.658 4.402 7.841 1.00 0.00 C ATOM 281 CG ASP A 20 -6.939 3.947 9.285 1.00 0.00 C ATOM 282 OD1 ASP A 20 -6.206 4.382 10.206 1.00 0.00 O ATOM 283 OD2 ASP A 20 -7.878 3.149 9.509 1.00 0.00 O ATOM 0 H ASP A 20 -8.877 5.382 6.940 1.00 0.00 H new ATOM 0 HA ASP A 20 -6.641 6.442 8.533 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -7.259 3.812 7.149 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -5.613 4.214 7.596 1.00 0.00 H new ATOM 288 N VAL A 21 -6.611 6.233 5.234 1.00 0.00 N ATOM 289 CA VAL A 21 -5.879 6.600 4.010 1.00 0.00 C ATOM 290 C VAL A 21 -6.267 7.991 3.504 1.00 0.00 C ATOM 291 O VAL A 21 -5.399 8.832 3.275 1.00 0.00 O ATOM 292 CB VAL A 21 -6.093 5.547 2.902 1.00 0.00 C ATOM 293 CG1 VAL A 21 -5.182 5.811 1.702 1.00 0.00 C ATOM 294 CG2 VAL A 21 -5.831 4.114 3.394 1.00 0.00 C ATOM 0 H VAL A 21 -7.492 5.754 5.046 1.00 0.00 H new ATOM 0 HA VAL A 21 -4.820 6.627 4.269 1.00 0.00 H new ATOM 0 HB VAL A 21 -7.139 5.636 2.609 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -5.356 5.052 0.939 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -5.399 6.797 1.290 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -4.140 5.772 2.021 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -5.996 3.413 2.576 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -4.801 4.031 3.741 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -6.510 3.881 4.214 1.00 0.00 H new ATOM 304 N LEU A 22 -7.570 8.248 3.338 1.00 0.00 N ATOM 305 CA LEU A 22 -8.076 9.478 2.705 1.00 0.00 C ATOM 306 C LEU A 22 -8.184 10.660 3.685 1.00 0.00 C ATOM 307 O LEU A 22 -8.070 11.815 3.276 1.00 0.00 O ATOM 308 CB LEU A 22 -9.410 9.201 1.984 1.00 0.00 C ATOM 309 CG LEU A 22 -9.388 8.021 0.992 1.00 0.00 C ATOM 310 CD1 LEU A 22 -10.769 7.845 0.360 1.00 0.00 C ATOM 311 CD2 LEU A 22 -8.373 8.201 -0.138 1.00 0.00 C ATOM 0 H LEU A 22 -8.307 7.610 3.638 1.00 0.00 H new ATOM 0 HA LEU A 22 -7.341 9.785 1.961 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -10.177 9.010 2.734 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -9.708 10.101 1.446 1.00 0.00 H new ATOM 0 HG LEU A 22 -9.098 7.145 1.572 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -10.745 7.009 -0.340 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -11.503 7.644 1.140 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -11.044 8.756 -0.172 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -8.409 7.336 -0.800 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -8.614 9.101 -0.704 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -7.372 8.294 0.283 1.00 0.00 H new ATOM 323 N SER A 23 -8.358 10.379 4.980 1.00 0.00 N ATOM 324 CA SER A 23 -8.422 11.386 6.052 1.00 0.00 C ATOM 325 C SER A 23 -7.040 11.887 6.512 1.00 0.00 C ATOM 326 O SER A 23 -6.958 12.873 7.248 1.00 0.00 O ATOM 327 CB SER A 23 -9.219 10.858 7.245 1.00 0.00 C ATOM 328 OG SER A 23 -10.565 10.621 6.864 1.00 0.00 O ATOM 0 H SER A 23 -8.461 9.424 5.323 1.00 0.00 H new ATOM 0 HA SER A 23 -8.935 12.247 5.623 1.00 0.00 H new ATOM 0 HB2 SER A 23 -8.769 9.936 7.614 1.00 0.00 H new ATOM 0 HB3 SER A 23 -9.185 11.578 8.062 1.00 0.00 H new ATOM 0 HG SER A 23 -10.609 9.823 6.297 1.00 0.00 H new ATOM 334 N SER A 24 -5.947 11.235 6.093 1.00 0.00 N ATOM 335 CA SER A 24 -4.574 11.602 6.440 1.00 0.00 C ATOM 336 C SER A 24 -4.092 12.842 5.677 1.00 0.00 C ATOM 337 O SER A 24 -4.121 12.883 4.446 1.00 0.00 O ATOM 338 CB SER A 24 -3.645 10.419 6.164 1.00 0.00 C ATOM 339 OG SER A 24 -3.696 9.498 7.241 1.00 0.00 O ATOM 0 H SER A 24 -5.999 10.416 5.487 1.00 0.00 H new ATOM 0 HA SER A 24 -4.555 11.852 7.501 1.00 0.00 H new ATOM 0 HB2 SER A 24 -3.939 9.924 5.238 1.00 0.00 H new ATOM 0 HB3 SER A 24 -2.623 10.773 6.026 1.00 0.00 H new ATOM 0 HG SER A 24 -4.221 8.714 6.976 1.00 0.00 H new ATOM 345 N ASN A 25 -3.583 13.833 6.417 1.00 0.00 N ATOM 346 CA ASN A 25 -2.919 15.023 5.865 1.00 0.00 C ATOM 347 C ASN A 25 -1.530 14.692 5.272 1.00 0.00 C ATOM 348 O ASN A 25 -1.077 15.346 4.330 1.00 0.00 O ATOM 349 CB ASN A 25 -2.840 16.074 6.988 1.00 0.00 C ATOM 350 CG ASN A 25 -2.197 17.379 6.539 1.00 0.00 C ATOM 351 OD1 ASN A 25 -2.824 18.232 5.926 1.00 0.00 O ATOM 352 ND2 ASN A 25 -0.931 17.585 6.832 1.00 0.00 N ATOM 0 H ASN A 25 -3.621 13.832 7.436 1.00 0.00 H new ATOM 0 HA ASN A 25 -3.496 15.418 5.029 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -3.845 16.279 7.357 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -2.271 15.664 7.822 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -0.477 18.453 6.548 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -0.404 16.877 7.343 1.00 0.00 H new ATOM 359 N LYS A 26 -0.870 13.653 5.804 1.00 0.00 N ATOM 360 CA LYS A 26 0.427 13.136 5.335 1.00 0.00 C ATOM 361 C LYS A 26 0.264 12.143 4.166 1.00 0.00 C ATOM 362 O LYS A 26 -0.840 11.628 3.962 1.00 0.00 O ATOM 363 CB LYS A 26 1.201 12.509 6.515 1.00 0.00 C ATOM 364 CG LYS A 26 0.548 11.226 7.067 1.00 0.00 C ATOM 365 CD LYS A 26 1.373 10.552 8.171 1.00 0.00 C ATOM 366 CE LYS A 26 2.713 10.007 7.653 1.00 0.00 C ATOM 367 NZ LYS A 26 3.338 9.098 8.646 1.00 0.00 N ATOM 0 H LYS A 26 -1.236 13.131 6.600 1.00 0.00 H new ATOM 0 HA LYS A 26 1.008 13.973 4.946 1.00 0.00 H new ATOM 0 HB2 LYS A 26 2.217 12.280 6.192 1.00 0.00 H new ATOM 0 HB3 LYS A 26 1.279 13.242 7.318 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -0.440 11.469 7.458 1.00 0.00 H new ATOM 0 HG3 LYS A 26 0.402 10.520 6.249 1.00 0.00 H new ATOM 0 HD2 LYS A 26 1.560 11.270 8.970 1.00 0.00 H new ATOM 0 HD3 LYS A 26 0.796 9.736 8.605 1.00 0.00 H new ATOM 0 HE2 LYS A 26 2.555 9.474 6.716 1.00 0.00 H new ATOM 0 HE3 LYS A 26 3.388 10.836 7.438 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 4.345 8.973 8.417 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 3.248 9.509 9.597 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 2.860 8.175 8.621 1.00 0.00 H new ATOM 381 N PRO A 27 1.336 11.825 3.418 1.00 0.00 N ATOM 382 CA PRO A 27 1.317 10.749 2.431 1.00 0.00 C ATOM 383 C PRO A 27 1.017 9.370 3.039 1.00 0.00 C ATOM 384 O PRO A 27 1.509 9.034 4.121 1.00 0.00 O ATOM 385 CB PRO A 27 2.687 10.784 1.744 1.00 0.00 C ATOM 386 CG PRO A 27 3.152 12.225 1.954 1.00 0.00 C ATOM 387 CD PRO A 27 2.596 12.548 3.339 1.00 0.00 C ATOM 0 HA PRO A 27 0.506 10.906 1.720 1.00 0.00 H new ATOM 0 HB2 PRO A 27 3.379 10.070 2.190 1.00 0.00 H new ATOM 0 HB3 PRO A 27 2.612 10.536 0.685 1.00 0.00 H new ATOM 0 HG2 PRO A 27 4.238 12.311 1.922 1.00 0.00 H new ATOM 0 HG3 PRO A 27 2.757 12.895 1.191 1.00 0.00 H new ATOM 0 HD2 PRO A 27 3.283 12.231 4.124 1.00 0.00 H new ATOM 0 HD3 PRO A 27 2.444 13.620 3.463 1.00 0.00 H new ATOM 395 N VAL A 28 0.238 8.554 2.326 1.00 0.00 N ATOM 396 CA VAL A 28 -0.120 7.181 2.724 1.00 0.00 C ATOM 397 C VAL A 28 0.004 6.239 1.526 1.00 0.00 C ATOM 398 O VAL A 28 -0.582 6.474 0.470 1.00 0.00 O ATOM 399 CB VAL A 28 -1.529 7.089 3.352 1.00 0.00 C ATOM 400 CG1 VAL A 28 -1.804 5.664 3.860 1.00 0.00 C ATOM 401 CG2 VAL A 28 -1.702 8.040 4.540 1.00 0.00 C ATOM 0 H VAL A 28 -0.173 8.831 1.435 1.00 0.00 H new ATOM 0 HA VAL A 28 0.583 6.875 3.498 1.00 0.00 H new ATOM 0 HB VAL A 28 -2.228 7.367 2.563 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -2.801 5.620 4.299 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -1.743 4.963 3.028 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -1.064 5.397 4.614 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -2.709 7.937 4.945 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -0.973 7.794 5.312 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -1.548 9.067 4.209 1.00 0.00 H new ATOM 411 N LEU A 29 0.769 5.164 1.700 1.00 0.00 N ATOM 412 CA LEU A 29 1.007 4.100 0.729 1.00 0.00 C ATOM 413 C LEU A 29 0.116 2.905 1.091 1.00 0.00 C ATOM 414 O LEU A 29 0.244 2.377 2.193 1.00 0.00 O ATOM 415 CB LEU A 29 2.510 3.753 0.793 1.00 0.00 C ATOM 416 CG LEU A 29 3.100 3.037 -0.434 1.00 0.00 C ATOM 417 CD1 LEU A 29 4.553 2.673 -0.134 1.00 0.00 C ATOM 418 CD2 LEU A 29 2.380 1.741 -0.815 1.00 0.00 C ATOM 0 H LEU A 29 1.269 5.003 2.575 1.00 0.00 H new ATOM 0 HA LEU A 29 0.759 4.397 -0.290 1.00 0.00 H new ATOM 0 HB2 LEU A 29 3.067 4.676 0.950 1.00 0.00 H new ATOM 0 HB3 LEU A 29 2.679 3.126 1.668 1.00 0.00 H new ATOM 0 HG LEU A 29 2.991 3.730 -1.268 1.00 0.00 H new ATOM 0 HD11 LEU A 29 4.986 2.164 -0.995 1.00 0.00 H new ATOM 0 HD12 LEU A 29 5.120 3.580 0.074 1.00 0.00 H new ATOM 0 HD13 LEU A 29 4.591 2.014 0.734 1.00 0.00 H new ATOM 0 HD21 LEU A 29 2.860 1.302 -1.689 1.00 0.00 H new ATOM 0 HD22 LEU A 29 2.430 1.039 0.017 1.00 0.00 H new ATOM 0 HD23 LEU A 29 1.337 1.958 -1.045 1.00 0.00 H new ATOM 430 N VAL A 30 -0.764 2.458 0.192 1.00 0.00 N ATOM 431 CA VAL A 30 -1.578 1.248 0.388 1.00 0.00 C ATOM 432 C VAL A 30 -1.152 0.139 -0.566 1.00 0.00 C ATOM 433 O VAL A 30 -1.122 0.325 -1.781 1.00 0.00 O ATOM 434 CB VAL A 30 -3.093 1.489 0.274 1.00 0.00 C ATOM 435 CG1 VAL A 30 -3.839 0.305 0.909 1.00 0.00 C ATOM 436 CG2 VAL A 30 -3.551 2.774 0.969 1.00 0.00 C ATOM 0 H VAL A 30 -0.936 2.925 -0.698 1.00 0.00 H new ATOM 0 HA VAL A 30 -1.390 0.938 1.416 1.00 0.00 H new ATOM 0 HB VAL A 30 -3.319 1.588 -0.788 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -4.914 0.469 0.832 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -3.574 -0.614 0.387 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -3.559 0.220 1.959 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -4.629 2.886 0.852 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -3.304 2.722 2.029 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -3.046 3.630 0.521 1.00 0.00 H new ATOM 446 N ASP A 31 -0.862 -1.032 -0.007 1.00 0.00 N ATOM 447 CA ASP A 31 -0.590 -2.272 -0.730 1.00 0.00 C ATOM 448 C ASP A 31 -1.839 -3.170 -0.768 1.00 0.00 C ATOM 449 O ASP A 31 -2.284 -3.700 0.253 1.00 0.00 O ATOM 450 CB ASP A 31 0.631 -2.941 -0.087 1.00 0.00 C ATOM 451 CG ASP A 31 0.789 -4.415 -0.479 1.00 0.00 C ATOM 452 OD1 ASP A 31 0.780 -4.719 -1.693 1.00 0.00 O ATOM 453 OD2 ASP A 31 0.931 -5.253 0.443 1.00 0.00 O ATOM 0 H ASP A 31 -0.808 -1.149 1.005 1.00 0.00 H new ATOM 0 HA ASP A 31 -0.353 -2.071 -1.775 1.00 0.00 H new ATOM 0 HB2 ASP A 31 1.530 -2.397 -0.376 1.00 0.00 H new ATOM 0 HB3 ASP A 31 0.549 -2.867 0.997 1.00 0.00 H new ATOM 458 N PHE A 32 -2.411 -3.327 -1.959 1.00 0.00 N ATOM 459 CA PHE A 32 -3.523 -4.228 -2.254 1.00 0.00 C ATOM 460 C PHE A 32 -2.962 -5.630 -2.515 1.00 0.00 C ATOM 461 O PHE A 32 -2.240 -5.846 -3.494 1.00 0.00 O ATOM 462 CB PHE A 32 -4.325 -3.690 -3.446 1.00 0.00 C ATOM 463 CG PHE A 32 -5.096 -2.416 -3.149 1.00 0.00 C ATOM 464 CD1 PHE A 32 -4.433 -1.175 -3.079 1.00 0.00 C ATOM 465 CD2 PHE A 32 -6.489 -2.468 -2.948 1.00 0.00 C ATOM 466 CE1 PHE A 32 -5.158 -0.003 -2.805 1.00 0.00 C ATOM 467 CE2 PHE A 32 -7.213 -1.292 -2.685 1.00 0.00 C ATOM 468 CZ PHE A 32 -6.547 -0.057 -2.618 1.00 0.00 C ATOM 0 H PHE A 32 -2.099 -2.808 -2.780 1.00 0.00 H new ATOM 0 HA PHE A 32 -4.208 -4.287 -1.409 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -3.643 -3.504 -4.275 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -5.025 -4.458 -3.775 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -3.366 -1.124 -3.236 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -7.004 -3.416 -2.996 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -4.643 0.944 -2.738 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -8.281 -1.338 -2.534 1.00 0.00 H new ATOM 0 HZ PHE A 32 -7.103 0.848 -2.423 1.00 0.00 H new ATOM 478 N TRP A 33 -3.263 -6.564 -1.609 1.00 0.00 N ATOM 479 CA TRP A 33 -2.601 -7.868 -1.513 1.00 0.00 C ATOM 480 C TRP A 33 -3.555 -8.997 -1.086 1.00 0.00 C ATOM 481 O TRP A 33 -4.666 -8.749 -0.612 1.00 0.00 O ATOM 482 CB TRP A 33 -1.440 -7.757 -0.508 1.00 0.00 C ATOM 483 CG TRP A 33 -1.826 -7.982 0.924 1.00 0.00 C ATOM 484 CD1 TRP A 33 -2.625 -7.172 1.650 1.00 0.00 C ATOM 485 CD2 TRP A 33 -1.546 -9.137 1.779 1.00 0.00 C ATOM 486 NE1 TRP A 33 -2.913 -7.768 2.860 1.00 0.00 N ATOM 487 CE2 TRP A 33 -2.269 -8.976 2.999 1.00 0.00 C ATOM 488 CE3 TRP A 33 -0.771 -10.311 1.647 1.00 0.00 C ATOM 489 CZ2 TRP A 33 -2.238 -9.931 4.025 1.00 0.00 C ATOM 490 CZ3 TRP A 33 -0.717 -11.268 2.678 1.00 0.00 C ATOM 491 CH2 TRP A 33 -1.453 -11.085 3.862 1.00 0.00 C ATOM 0 H TRP A 33 -3.990 -6.432 -0.906 1.00 0.00 H new ATOM 0 HA TRP A 33 -2.236 -8.130 -2.506 1.00 0.00 H new ATOM 0 HB2 TRP A 33 -0.671 -8.480 -0.781 1.00 0.00 H new ATOM 0 HB3 TRP A 33 -0.993 -6.767 -0.598 1.00 0.00 H new ATOM 0 HD1 TRP A 33 -2.984 -6.204 1.332 1.00 0.00 H new ATOM 0 HE1 TRP A 33 -3.528 -7.363 3.566 1.00 0.00 H new ATOM 0 HE3 TRP A 33 -0.210 -10.477 0.739 1.00 0.00 H new ATOM 0 HZ2 TRP A 33 -2.810 -9.782 4.929 1.00 0.00 H new ATOM 0 HZ3 TRP A 33 -0.105 -12.150 2.559 1.00 0.00 H new ATOM 0 HH2 TRP A 33 -1.415 -11.829 4.644 1.00 0.00 H new ATOM 502 N ALA A 34 -3.083 -10.242 -1.186 1.00 0.00 N ATOM 503 CA ALA A 34 -3.668 -11.408 -0.528 1.00 0.00 C ATOM 504 C ALA A 34 -2.603 -12.486 -0.267 1.00 0.00 C ATOM 505 O ALA A 34 -1.613 -12.591 -0.997 1.00 0.00 O ATOM 506 CB ALA A 34 -4.806 -11.971 -1.388 1.00 0.00 C ATOM 0 H ALA A 34 -2.260 -10.471 -1.743 1.00 0.00 H new ATOM 0 HA ALA A 34 -4.070 -11.098 0.437 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -5.240 -12.840 -0.894 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -5.574 -11.208 -1.520 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -4.415 -12.265 -2.362 1.00 0.00 H new ATOM 512 N THR A 35 -2.834 -13.333 0.740 1.00 0.00 N ATOM 513 CA THR A 35 -1.911 -14.421 1.126 1.00 0.00 C ATOM 514 C THR A 35 -1.804 -15.543 0.079 1.00 0.00 C ATOM 515 O THR A 35 -0.878 -16.355 0.139 1.00 0.00 O ATOM 516 CB THR A 35 -2.284 -14.963 2.520 1.00 0.00 C ATOM 517 OG1 THR A 35 -1.237 -15.737 3.069 1.00 0.00 O ATOM 518 CG2 THR A 35 -3.565 -15.803 2.541 1.00 0.00 C ATOM 0 H THR A 35 -3.672 -13.288 1.319 1.00 0.00 H new ATOM 0 HA THR A 35 -0.912 -13.988 1.173 1.00 0.00 H new ATOM 0 HB THR A 35 -2.460 -14.071 3.122 1.00 0.00 H new ATOM 0 HG1 THR A 35 -0.751 -16.188 2.348 1.00 0.00 H new ATOM 0 HG21 THR A 35 -3.758 -16.147 3.557 1.00 0.00 H new ATOM 0 HG22 THR A 35 -4.403 -15.197 2.198 1.00 0.00 H new ATOM 0 HG23 THR A 35 -3.446 -16.664 1.883 1.00 0.00 H new ATOM 526 N TRP A 36 -2.708 -15.582 -0.910 1.00 0.00 N ATOM 527 CA TRP A 36 -2.658 -16.521 -2.040 1.00 0.00 C ATOM 528 C TRP A 36 -1.677 -16.121 -3.161 1.00 0.00 C ATOM 529 O TRP A 36 -1.492 -16.890 -4.106 1.00 0.00 O ATOM 530 CB TRP A 36 -4.081 -16.803 -2.554 1.00 0.00 C ATOM 531 CG TRP A 36 -4.993 -15.653 -2.899 1.00 0.00 C ATOM 532 CD1 TRP A 36 -6.097 -15.317 -2.190 1.00 0.00 C ATOM 533 CD2 TRP A 36 -4.992 -14.749 -4.059 1.00 0.00 C ATOM 534 NE1 TRP A 36 -6.804 -14.334 -2.844 1.00 0.00 N ATOM 535 CE2 TRP A 36 -6.165 -13.932 -3.994 1.00 0.00 C ATOM 536 CE3 TRP A 36 -4.136 -14.536 -5.165 1.00 0.00 C ATOM 537 CZ2 TRP A 36 -6.479 -12.973 -4.968 1.00 0.00 C ATOM 538 CZ3 TRP A 36 -4.424 -13.551 -6.134 1.00 0.00 C ATOM 539 CH2 TRP A 36 -5.599 -12.782 -6.046 1.00 0.00 C ATOM 0 H TRP A 36 -3.508 -14.951 -0.948 1.00 0.00 H new ATOM 0 HA TRP A 36 -2.238 -17.452 -1.660 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -3.988 -17.423 -3.445 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -4.587 -17.404 -1.798 1.00 0.00 H new ATOM 0 HD1 TRP A 36 -6.382 -15.758 -1.246 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -7.691 -13.951 -2.517 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -3.246 -15.138 -5.270 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -7.385 -12.390 -4.890 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -3.736 -13.386 -6.950 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -5.824 -12.047 -6.805 1.00 0.00 H new ATOM 550 N CYS A 37 -1.024 -14.956 -3.067 1.00 0.00 N ATOM 551 CA CYS A 37 -0.087 -14.447 -4.074 1.00 0.00 C ATOM 552 C CYS A 37 1.373 -14.437 -3.568 1.00 0.00 C ATOM 553 O CYS A 37 1.731 -13.716 -2.629 1.00 0.00 O ATOM 554 CB CYS A 37 -0.603 -13.077 -4.532 1.00 0.00 C ATOM 555 SG CYS A 37 0.467 -12.391 -5.828 1.00 0.00 S ATOM 0 H CYS A 37 -1.135 -14.328 -2.271 1.00 0.00 H new ATOM 0 HA CYS A 37 -0.050 -15.113 -4.936 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -1.622 -13.173 -4.907 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -0.639 -12.394 -3.683 1.00 0.00 H new ATOM 0 HG CYS A 37 -0.059 -11.295 -6.290 1.00 0.00 H new ATOM 561 N GLY A 38 2.243 -15.211 -4.227 1.00 0.00 N ATOM 562 CA GLY A 38 3.682 -15.270 -3.928 1.00 0.00 C ATOM 563 C GLY A 38 4.386 -13.913 -4.083 1.00 0.00 C ATOM 564 O GLY A 38 5.043 -13.478 -3.141 1.00 0.00 O ATOM 0 H GLY A 38 1.965 -15.823 -4.994 1.00 0.00 H new ATOM 0 HA2 GLY A 38 3.821 -15.630 -2.909 1.00 0.00 H new ATOM 0 HA3 GLY A 38 4.155 -15.996 -4.590 1.00 0.00 H new ATOM 568 N PRO A 39 4.192 -13.170 -5.188 1.00 0.00 N ATOM 569 CA PRO A 39 4.676 -11.793 -5.312 1.00 0.00 C ATOM 570 C PRO A 39 4.174 -10.831 -4.217 1.00 0.00 C ATOM 571 O PRO A 39 4.937 -9.968 -3.783 1.00 0.00 O ATOM 572 CB PRO A 39 4.261 -11.353 -6.716 1.00 0.00 C ATOM 573 CG PRO A 39 4.289 -12.660 -7.507 1.00 0.00 C ATOM 574 CD PRO A 39 3.785 -13.681 -6.491 1.00 0.00 C ATOM 0 HA PRO A 39 5.756 -11.760 -5.168 1.00 0.00 H new ATOM 0 HB2 PRO A 39 3.270 -10.899 -6.721 1.00 0.00 H new ATOM 0 HB3 PRO A 39 4.950 -10.616 -7.129 1.00 0.00 H new ATOM 0 HG2 PRO A 39 3.647 -12.614 -8.387 1.00 0.00 H new ATOM 0 HG3 PRO A 39 5.293 -12.899 -7.857 1.00 0.00 H new ATOM 0 HD2 PRO A 39 2.702 -13.790 -6.549 1.00 0.00 H new ATOM 0 HD3 PRO A 39 4.215 -14.665 -6.678 1.00 0.00 H new ATOM 582 N CYS A 40 2.949 -10.999 -3.690 1.00 0.00 N ATOM 583 CA CYS A 40 2.497 -10.247 -2.505 1.00 0.00 C ATOM 584 C CYS A 40 3.334 -10.600 -1.264 1.00 0.00 C ATOM 585 O CYS A 40 3.818 -9.705 -0.567 1.00 0.00 O ATOM 586 CB CYS A 40 1.012 -10.496 -2.215 1.00 0.00 C ATOM 587 SG CYS A 40 -0.034 -9.719 -3.471 1.00 0.00 S ATOM 0 H CYS A 40 2.255 -11.647 -4.064 1.00 0.00 H new ATOM 0 HA CYS A 40 2.635 -9.190 -2.731 1.00 0.00 H new ATOM 0 HB2 CYS A 40 0.818 -11.568 -2.188 1.00 0.00 H new ATOM 0 HB3 CYS A 40 0.759 -10.101 -1.231 1.00 0.00 H new ATOM 0 HG CYS A 40 -0.090 -10.482 -4.522 1.00 0.00 H new ATOM 593 N LYS A 41 3.564 -11.898 -1.025 1.00 0.00 N ATOM 594 CA LYS A 41 4.452 -12.401 0.042 1.00 0.00 C ATOM 595 C LYS A 41 5.892 -11.868 -0.110 1.00 0.00 C ATOM 596 O LYS A 41 6.527 -11.539 0.888 1.00 0.00 O ATOM 597 CB LYS A 41 4.344 -13.941 0.045 1.00 0.00 C ATOM 598 CG LYS A 41 4.849 -14.679 1.295 1.00 0.00 C ATOM 599 CD LYS A 41 6.378 -14.703 1.445 1.00 0.00 C ATOM 600 CE LYS A 41 6.809 -15.948 2.229 1.00 0.00 C ATOM 601 NZ LYS A 41 8.279 -15.981 2.450 1.00 0.00 N ATOM 0 H LYS A 41 3.134 -12.643 -1.574 1.00 0.00 H new ATOM 0 HA LYS A 41 4.140 -12.030 1.018 1.00 0.00 H new ATOM 0 HB2 LYS A 41 3.297 -14.206 -0.104 1.00 0.00 H new ATOM 0 HB3 LYS A 41 4.894 -14.320 -0.816 1.00 0.00 H new ATOM 0 HG2 LYS A 41 4.417 -14.209 2.179 1.00 0.00 H new ATOM 0 HG3 LYS A 41 4.483 -15.705 1.269 1.00 0.00 H new ATOM 0 HD2 LYS A 41 6.848 -14.702 0.462 1.00 0.00 H new ATOM 0 HD3 LYS A 41 6.715 -13.804 1.961 1.00 0.00 H new ATOM 0 HE2 LYS A 41 6.297 -15.967 3.191 1.00 0.00 H new ATOM 0 HE3 LYS A 41 6.503 -16.843 1.687 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 8.531 -16.838 2.983 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 8.768 -15.988 1.532 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 8.568 -15.140 2.989 1.00 0.00 H new ATOM 615 N MET A 42 6.383 -11.708 -1.342 1.00 0.00 N ATOM 616 CA MET A 42 7.724 -11.183 -1.653 1.00 0.00 C ATOM 617 C MET A 42 7.870 -9.667 -1.426 1.00 0.00 C ATOM 618 O MET A 42 8.914 -9.238 -0.932 1.00 0.00 O ATOM 619 CB MET A 42 8.100 -11.526 -3.103 1.00 0.00 C ATOM 620 CG MET A 42 8.309 -13.028 -3.324 1.00 0.00 C ATOM 621 SD MET A 42 8.412 -13.497 -5.073 1.00 0.00 S ATOM 622 CE MET A 42 8.491 -15.300 -4.892 1.00 0.00 C ATOM 0 H MET A 42 5.847 -11.945 -2.177 1.00 0.00 H new ATOM 0 HA MET A 42 8.406 -11.667 -0.954 1.00 0.00 H new ATOM 0 HB2 MET A 42 7.315 -11.171 -3.771 1.00 0.00 H new ATOM 0 HB3 MET A 42 9.012 -10.994 -3.372 1.00 0.00 H new ATOM 0 HG2 MET A 42 9.224 -13.337 -2.819 1.00 0.00 H new ATOM 0 HG3 MET A 42 7.488 -13.573 -2.858 1.00 0.00 H new ATOM 0 HE1 MET A 42 8.559 -15.762 -5.877 1.00 0.00 H new ATOM 0 HE2 MET A 42 9.369 -15.569 -4.304 1.00 0.00 H new ATOM 0 HE3 MET A 42 7.593 -15.655 -4.386 1.00 0.00 H new ATOM 632 N VAL A 43 6.859 -8.846 -1.752 1.00 0.00 N ATOM 633 CA VAL A 43 6.926 -7.377 -1.549 1.00 0.00 C ATOM 634 C VAL A 43 6.573 -6.935 -0.119 1.00 0.00 C ATOM 635 O VAL A 43 7.058 -5.898 0.332 1.00 0.00 O ATOM 636 CB VAL A 43 6.118 -6.630 -2.632 1.00 0.00 C ATOM 637 CG1 VAL A 43 4.602 -6.744 -2.456 1.00 0.00 C ATOM 638 CG2 VAL A 43 6.491 -5.145 -2.722 1.00 0.00 C ATOM 0 H VAL A 43 5.981 -9.169 -2.158 1.00 0.00 H new ATOM 0 HA VAL A 43 7.971 -7.091 -1.669 1.00 0.00 H new ATOM 0 HB VAL A 43 6.392 -7.132 -3.560 1.00 0.00 H new ATOM 0 HG11 VAL A 43 4.101 -6.195 -3.253 1.00 0.00 H new ATOM 0 HG12 VAL A 43 4.309 -7.793 -2.498 1.00 0.00 H new ATOM 0 HG13 VAL A 43 4.315 -6.326 -1.491 1.00 0.00 H new ATOM 0 HG21 VAL A 43 5.894 -4.666 -3.498 1.00 0.00 H new ATOM 0 HG22 VAL A 43 6.296 -4.662 -1.765 1.00 0.00 H new ATOM 0 HG23 VAL A 43 7.549 -5.050 -2.967 1.00 0.00 H new ATOM 648 N ALA A 44 5.809 -7.733 0.636 1.00 0.00 N ATOM 649 CA ALA A 44 5.450 -7.461 2.034 1.00 0.00 C ATOM 650 C ALA A 44 6.637 -7.113 2.969 1.00 0.00 C ATOM 651 O ALA A 44 6.547 -6.085 3.642 1.00 0.00 O ATOM 652 CB ALA A 44 4.620 -8.638 2.566 1.00 0.00 C ATOM 0 H ALA A 44 5.414 -8.605 0.285 1.00 0.00 H new ATOM 0 HA ALA A 44 4.859 -6.545 2.037 1.00 0.00 H new ATOM 0 HB1 ALA A 44 4.346 -8.450 3.604 1.00 0.00 H new ATOM 0 HB2 ALA A 44 3.716 -8.747 1.966 1.00 0.00 H new ATOM 0 HB3 ALA A 44 5.208 -9.554 2.506 1.00 0.00 H new ATOM 658 N PRO A 45 7.764 -7.861 3.019 1.00 0.00 N ATOM 659 CA PRO A 45 8.910 -7.485 3.854 1.00 0.00 C ATOM 660 C PRO A 45 9.611 -6.200 3.379 1.00 0.00 C ATOM 661 O PRO A 45 10.136 -5.452 4.204 1.00 0.00 O ATOM 662 CB PRO A 45 9.854 -8.694 3.826 1.00 0.00 C ATOM 663 CG PRO A 45 9.519 -9.381 2.505 1.00 0.00 C ATOM 664 CD PRO A 45 8.015 -9.149 2.390 1.00 0.00 C ATOM 0 HA PRO A 45 8.583 -7.248 4.866 1.00 0.00 H new ATOM 0 HB2 PRO A 45 10.899 -8.387 3.865 1.00 0.00 H new ATOM 0 HB3 PRO A 45 9.684 -9.355 4.676 1.00 0.00 H new ATOM 0 HG2 PRO A 45 10.063 -8.942 1.669 1.00 0.00 H new ATOM 0 HG3 PRO A 45 9.766 -10.442 2.524 1.00 0.00 H new ATOM 0 HD2 PRO A 45 7.699 -9.143 1.347 1.00 0.00 H new ATOM 0 HD3 PRO A 45 7.458 -9.943 2.888 1.00 0.00 H new ATOM 672 N VAL A 46 9.580 -5.893 2.076 1.00 0.00 N ATOM 673 CA VAL A 46 10.144 -4.644 1.530 1.00 0.00 C ATOM 674 C VAL A 46 9.295 -3.445 1.965 1.00 0.00 C ATOM 675 O VAL A 46 9.825 -2.451 2.459 1.00 0.00 O ATOM 676 CB VAL A 46 10.281 -4.672 -0.008 1.00 0.00 C ATOM 677 CG1 VAL A 46 11.197 -3.542 -0.454 1.00 0.00 C ATOM 678 CG2 VAL A 46 10.874 -5.989 -0.525 1.00 0.00 C ATOM 0 H VAL A 46 9.165 -6.500 1.369 1.00 0.00 H new ATOM 0 HA VAL A 46 11.151 -4.546 1.936 1.00 0.00 H new ATOM 0 HB VAL A 46 9.276 -4.563 -0.416 1.00 0.00 H new ATOM 0 HG11 VAL A 46 11.295 -3.560 -1.539 1.00 0.00 H new ATOM 0 HG12 VAL A 46 10.774 -2.587 -0.144 1.00 0.00 H new ATOM 0 HG13 VAL A 46 12.179 -3.669 0.001 1.00 0.00 H new ATOM 0 HG21 VAL A 46 10.947 -5.953 -1.612 1.00 0.00 H new ATOM 0 HG22 VAL A 46 11.867 -6.133 -0.099 1.00 0.00 H new ATOM 0 HG23 VAL A 46 10.230 -6.818 -0.232 1.00 0.00 H new ATOM 688 N LEU A 47 7.970 -3.570 1.860 1.00 0.00 N ATOM 689 CA LEU A 47 7.003 -2.600 2.380 1.00 0.00 C ATOM 690 C LEU A 47 7.105 -2.430 3.903 1.00 0.00 C ATOM 691 O LEU A 47 6.961 -1.316 4.391 1.00 0.00 O ATOM 692 CB LEU A 47 5.589 -3.065 1.999 1.00 0.00 C ATOM 693 CG LEU A 47 5.177 -2.685 0.571 1.00 0.00 C ATOM 694 CD1 LEU A 47 4.020 -3.580 0.146 1.00 0.00 C ATOM 695 CD2 LEU A 47 4.732 -1.221 0.501 1.00 0.00 C ATOM 0 H LEU A 47 7.529 -4.367 1.400 1.00 0.00 H new ATOM 0 HA LEU A 47 7.223 -1.628 1.938 1.00 0.00 H new ATOM 0 HB2 LEU A 47 5.531 -4.148 2.108 1.00 0.00 H new ATOM 0 HB3 LEU A 47 4.874 -2.635 2.700 1.00 0.00 H new ATOM 0 HG LEU A 47 6.032 -2.817 -0.092 1.00 0.00 H new ATOM 0 HD11 LEU A 47 3.714 -3.323 -0.868 1.00 0.00 H new ATOM 0 HD12 LEU A 47 4.336 -4.623 0.176 1.00 0.00 H new ATOM 0 HD13 LEU A 47 3.180 -3.436 0.826 1.00 0.00 H new ATOM 0 HD21 LEU A 47 4.445 -0.976 -0.522 1.00 0.00 H new ATOM 0 HD22 LEU A 47 3.880 -1.068 1.163 1.00 0.00 H new ATOM 0 HD23 LEU A 47 5.554 -0.576 0.811 1.00 0.00 H new ATOM 707 N GLU A 48 7.387 -3.494 4.657 1.00 0.00 N ATOM 708 CA GLU A 48 7.564 -3.433 6.115 1.00 0.00 C ATOM 709 C GLU A 48 8.844 -2.672 6.515 1.00 0.00 C ATOM 710 O GLU A 48 8.822 -1.858 7.442 1.00 0.00 O ATOM 711 CB GLU A 48 7.550 -4.863 6.679 1.00 0.00 C ATOM 712 CG GLU A 48 7.304 -4.884 8.189 1.00 0.00 C ATOM 713 CD GLU A 48 7.354 -6.325 8.735 1.00 0.00 C ATOM 714 OE1 GLU A 48 6.301 -7.008 8.763 1.00 0.00 O ATOM 715 OE2 GLU A 48 8.447 -6.784 9.148 1.00 0.00 O ATOM 0 H GLU A 48 7.501 -4.432 4.273 1.00 0.00 H new ATOM 0 HA GLU A 48 6.737 -2.869 6.546 1.00 0.00 H new ATOM 0 HB2 GLU A 48 6.775 -5.442 6.178 1.00 0.00 H new ATOM 0 HB3 GLU A 48 8.501 -5.348 6.460 1.00 0.00 H new ATOM 0 HG2 GLU A 48 8.054 -4.274 8.692 1.00 0.00 H new ATOM 0 HG3 GLU A 48 6.333 -4.441 8.409 1.00 0.00 H new ATOM 722 N GLU A 49 9.945 -2.851 5.776 1.00 0.00 N ATOM 723 CA GLU A 49 11.147 -2.023 5.938 1.00 0.00 C ATOM 724 C GLU A 49 10.874 -0.554 5.584 1.00 0.00 C ATOM 725 O GLU A 49 11.216 0.333 6.363 1.00 0.00 O ATOM 726 CB GLU A 49 12.303 -2.547 5.077 1.00 0.00 C ATOM 727 CG GLU A 49 12.974 -3.799 5.657 1.00 0.00 C ATOM 728 CD GLU A 49 14.166 -4.257 4.792 1.00 0.00 C ATOM 729 OE1 GLU A 49 14.905 -3.390 4.261 1.00 0.00 O ATOM 730 OE2 GLU A 49 14.389 -5.486 4.657 1.00 0.00 O ATOM 0 H GLU A 49 10.029 -3.567 5.055 1.00 0.00 H new ATOM 0 HA GLU A 49 11.430 -2.083 6.989 1.00 0.00 H new ATOM 0 HB2 GLU A 49 11.929 -2.773 4.078 1.00 0.00 H new ATOM 0 HB3 GLU A 49 13.050 -1.761 4.967 1.00 0.00 H new ATOM 0 HG2 GLU A 49 13.318 -3.592 6.670 1.00 0.00 H new ATOM 0 HG3 GLU A 49 12.243 -4.605 5.727 1.00 0.00 H new ATOM 737 N ILE A 50 10.200 -0.281 4.460 1.00 0.00 N ATOM 738 CA ILE A 50 9.765 1.078 4.090 1.00 0.00 C ATOM 739 C ILE A 50 8.884 1.692 5.191 1.00 0.00 C ATOM 740 O ILE A 50 9.098 2.839 5.572 1.00 0.00 O ATOM 741 CB ILE A 50 9.052 1.034 2.717 1.00 0.00 C ATOM 742 CG1 ILE A 50 10.039 0.794 1.548 1.00 0.00 C ATOM 743 CG2 ILE A 50 8.172 2.262 2.433 1.00 0.00 C ATOM 744 CD1 ILE A 50 11.087 1.890 1.288 1.00 0.00 C ATOM 0 H ILE A 50 9.939 -0.994 3.779 1.00 0.00 H new ATOM 0 HA ILE A 50 10.635 1.728 3.996 1.00 0.00 H new ATOM 0 HB ILE A 50 8.382 0.177 2.784 1.00 0.00 H new ATOM 0 HG12 ILE A 50 10.566 -0.142 1.735 1.00 0.00 H new ATOM 0 HG13 ILE A 50 9.458 0.656 0.636 1.00 0.00 H new ATOM 0 HG21 ILE A 50 7.707 2.157 1.453 1.00 0.00 H new ATOM 0 HG22 ILE A 50 7.398 2.339 3.196 1.00 0.00 H new ATOM 0 HG23 ILE A 50 8.787 3.162 2.448 1.00 0.00 H new ATOM 0 HD11 ILE A 50 11.715 1.601 0.445 1.00 0.00 H new ATOM 0 HD12 ILE A 50 10.583 2.829 1.059 1.00 0.00 H new ATOM 0 HD13 ILE A 50 11.707 2.018 2.175 1.00 0.00 H new ATOM 756 N ALA A 51 7.950 0.931 5.765 1.00 0.00 N ATOM 757 CA ALA A 51 7.092 1.383 6.858 1.00 0.00 C ATOM 758 C ALA A 51 7.896 1.760 8.111 1.00 0.00 C ATOM 759 O ALA A 51 7.623 2.777 8.749 1.00 0.00 O ATOM 760 CB ALA A 51 6.105 0.259 7.183 1.00 0.00 C ATOM 0 H ALA A 51 7.767 -0.031 5.478 1.00 0.00 H new ATOM 0 HA ALA A 51 6.566 2.284 6.542 1.00 0.00 H new ATOM 0 HB1 ALA A 51 5.452 0.572 7.998 1.00 0.00 H new ATOM 0 HB2 ALA A 51 5.504 0.036 6.301 1.00 0.00 H new ATOM 0 HB3 ALA A 51 6.655 -0.633 7.482 1.00 0.00 H new ATOM 766 N THR A 52 8.900 0.946 8.444 1.00 0.00 N ATOM 767 CA THR A 52 9.775 1.142 9.612 1.00 0.00 C ATOM 768 C THR A 52 10.691 2.357 9.424 1.00 0.00 C ATOM 769 O THR A 52 10.875 3.149 10.349 1.00 0.00 O ATOM 770 CB THR A 52 10.611 -0.126 9.870 1.00 0.00 C ATOM 771 OG1 THR A 52 9.767 -1.246 10.049 1.00 0.00 O ATOM 772 CG2 THR A 52 11.470 -0.027 11.132 1.00 0.00 C ATOM 0 H THR A 52 9.136 0.115 7.902 1.00 0.00 H new ATOM 0 HA THR A 52 9.142 1.332 10.479 1.00 0.00 H new ATOM 0 HB THR A 52 11.255 -0.232 8.997 1.00 0.00 H new ATOM 0 HG1 THR A 52 9.397 -1.518 9.183 1.00 0.00 H new ATOM 0 HG21 THR A 52 12.036 -0.950 11.260 1.00 0.00 H new ATOM 0 HG22 THR A 52 12.160 0.811 11.038 1.00 0.00 H new ATOM 0 HG23 THR A 52 10.827 0.128 11.998 1.00 0.00 H new ATOM 780 N GLU A 53 11.261 2.528 8.228 1.00 0.00 N ATOM 781 CA GLU A 53 12.315 3.514 7.948 1.00 0.00 C ATOM 782 C GLU A 53 11.820 4.855 7.382 1.00 0.00 C ATOM 783 O GLU A 53 12.529 5.857 7.494 1.00 0.00 O ATOM 784 CB GLU A 53 13.361 2.888 7.012 1.00 0.00 C ATOM 785 CG GLU A 53 14.027 1.649 7.633 1.00 0.00 C ATOM 786 CD GLU A 53 15.287 1.248 6.847 1.00 0.00 C ATOM 787 OE1 GLU A 53 15.156 0.785 5.687 1.00 0.00 O ATOM 788 OE2 GLU A 53 16.414 1.386 7.383 1.00 0.00 O ATOM 0 H GLU A 53 11.000 1.976 7.411 1.00 0.00 H new ATOM 0 HA GLU A 53 12.754 3.766 8.913 1.00 0.00 H new ATOM 0 HB2 GLU A 53 12.885 2.610 6.072 1.00 0.00 H new ATOM 0 HB3 GLU A 53 14.125 3.629 6.776 1.00 0.00 H new ATOM 0 HG2 GLU A 53 14.291 1.855 8.670 1.00 0.00 H new ATOM 0 HG3 GLU A 53 13.321 0.819 7.643 1.00 0.00 H new ATOM 795 N ARG A 54 10.637 4.908 6.752 1.00 0.00 N ATOM 796 CA ARG A 54 10.039 6.115 6.128 1.00 0.00 C ATOM 797 C ARG A 54 8.815 6.650 6.885 1.00 0.00 C ATOM 798 O ARG A 54 8.105 7.498 6.352 1.00 0.00 O ATOM 799 CB ARG A 54 9.719 5.870 4.631 1.00 0.00 C ATOM 800 CG ARG A 54 10.848 5.296 3.750 1.00 0.00 C ATOM 801 CD ARG A 54 12.020 6.256 3.483 1.00 0.00 C ATOM 802 NE ARG A 54 12.822 6.503 4.693 1.00 0.00 N ATOM 803 CZ ARG A 54 13.947 7.178 4.808 1.00 0.00 C ATOM 804 NH1 ARG A 54 14.548 7.735 3.801 1.00 0.00 N ATOM 805 NH2 ARG A 54 14.495 7.296 5.978 1.00 0.00 N ATOM 0 H ARG A 54 10.042 4.085 6.655 1.00 0.00 H new ATOM 0 HA ARG A 54 10.794 6.898 6.194 1.00 0.00 H new ATOM 0 HB2 ARG A 54 8.869 5.190 4.575 1.00 0.00 H new ATOM 0 HB3 ARG A 54 9.399 6.817 4.195 1.00 0.00 H new ATOM 0 HG2 ARG A 54 11.237 4.396 4.226 1.00 0.00 H new ATOM 0 HG3 ARG A 54 10.422 4.992 2.794 1.00 0.00 H new ATOM 0 HD2 ARG A 54 12.659 5.839 2.704 1.00 0.00 H new ATOM 0 HD3 ARG A 54 11.634 7.203 3.106 1.00 0.00 H new ATOM 0 HE ARG A 54 12.458 6.098 5.556 1.00 0.00 H new ATOM 0 HH11 ARG A 54 14.150 7.661 2.865 1.00 0.00 H new ATOM 0 HH12 ARG A 54 15.418 8.247 3.946 1.00 0.00 H new ATOM 0 HH21 ARG A 54 14.055 6.869 6.793 1.00 0.00 H new ATOM 0 HH22 ARG A 54 15.366 7.816 6.083 1.00 0.00 H new ATOM 819 N ALA A 55 8.584 6.204 8.124 1.00 0.00 N ATOM 820 CA ALA A 55 7.427 6.577 8.954 1.00 0.00 C ATOM 821 C ALA A 55 7.206 8.102 9.088 1.00 0.00 C ATOM 822 O ALA A 55 6.066 8.569 9.156 1.00 0.00 O ATOM 823 CB ALA A 55 7.614 5.943 10.339 1.00 0.00 C ATOM 0 H ALA A 55 9.214 5.554 8.594 1.00 0.00 H new ATOM 0 HA ALA A 55 6.532 6.203 8.457 1.00 0.00 H new ATOM 0 HB1 ALA A 55 6.769 6.204 10.976 1.00 0.00 H new ATOM 0 HB2 ALA A 55 7.671 4.859 10.238 1.00 0.00 H new ATOM 0 HB3 ALA A 55 8.535 6.315 10.788 1.00 0.00 H new ATOM 829 N THR A 56 8.286 8.890 9.093 1.00 0.00 N ATOM 830 CA THR A 56 8.260 10.364 9.177 1.00 0.00 C ATOM 831 C THR A 56 7.767 11.025 7.879 1.00 0.00 C ATOM 832 O THR A 56 7.218 12.126 7.910 1.00 0.00 O ATOM 833 CB THR A 56 9.667 10.892 9.526 1.00 0.00 C ATOM 834 OG1 THR A 56 10.226 10.135 10.584 1.00 0.00 O ATOM 835 CG2 THR A 56 9.673 12.353 9.983 1.00 0.00 C ATOM 0 H THR A 56 9.233 8.514 9.037 1.00 0.00 H new ATOM 0 HA THR A 56 7.551 10.627 9.962 1.00 0.00 H new ATOM 0 HB THR A 56 10.244 10.805 8.605 1.00 0.00 H new ATOM 0 HG1 THR A 56 11.119 10.478 10.795 1.00 0.00 H new ATOM 0 HG21 THR A 56 10.694 12.658 10.212 1.00 0.00 H new ATOM 0 HG22 THR A 56 9.275 12.984 9.189 1.00 0.00 H new ATOM 0 HG23 THR A 56 9.054 12.458 10.874 1.00 0.00 H new ATOM 843 N ASP A 57 7.932 10.355 6.735 1.00 0.00 N ATOM 844 CA ASP A 57 7.617 10.867 5.393 1.00 0.00 C ATOM 845 C ASP A 57 6.298 10.312 4.831 1.00 0.00 C ATOM 846 O ASP A 57 5.586 11.024 4.122 1.00 0.00 O ATOM 847 CB ASP A 57 8.772 10.523 4.443 1.00 0.00 C ATOM 848 CG ASP A 57 10.088 11.188 4.876 1.00 0.00 C ATOM 849 OD1 ASP A 57 10.269 12.398 4.599 1.00 0.00 O ATOM 850 OD2 ASP A 57 10.935 10.505 5.497 1.00 0.00 O ATOM 0 H ASP A 57 8.303 9.405 6.714 1.00 0.00 H new ATOM 0 HA ASP A 57 7.491 11.946 5.476 1.00 0.00 H new ATOM 0 HB2 ASP A 57 8.905 9.442 4.410 1.00 0.00 H new ATOM 0 HB3 ASP A 57 8.519 10.844 3.433 1.00 0.00 H new ATOM 855 N LEU A 58 5.962 9.057 5.150 1.00 0.00 N ATOM 856 CA LEU A 58 4.738 8.369 4.728 1.00 0.00 C ATOM 857 C LEU A 58 4.260 7.339 5.771 1.00 0.00 C ATOM 858 O LEU A 58 5.008 6.948 6.665 1.00 0.00 O ATOM 859 CB LEU A 58 4.917 7.777 3.307 1.00 0.00 C ATOM 860 CG LEU A 58 6.113 6.846 3.015 1.00 0.00 C ATOM 861 CD1 LEU A 58 6.058 5.527 3.785 1.00 0.00 C ATOM 862 CD2 LEU A 58 6.116 6.496 1.524 1.00 0.00 C ATOM 0 H LEU A 58 6.559 8.470 5.732 1.00 0.00 H new ATOM 0 HA LEU A 58 3.932 9.100 4.668 1.00 0.00 H new ATOM 0 HB2 LEU A 58 4.008 7.226 3.066 1.00 0.00 H new ATOM 0 HB3 LEU A 58 4.977 8.613 2.610 1.00 0.00 H new ATOM 0 HG LEU A 58 7.008 7.386 3.325 1.00 0.00 H new ATOM 0 HD11 LEU A 58 6.928 4.922 3.532 1.00 0.00 H new ATOM 0 HD12 LEU A 58 6.056 5.731 4.856 1.00 0.00 H new ATOM 0 HD13 LEU A 58 5.150 4.987 3.517 1.00 0.00 H new ATOM 0 HD21 LEU A 58 6.957 5.838 1.306 1.00 0.00 H new ATOM 0 HD22 LEU A 58 5.185 5.991 1.267 1.00 0.00 H new ATOM 0 HD23 LEU A 58 6.208 7.409 0.936 1.00 0.00 H new ATOM 874 N THR A 59 3.001 6.907 5.675 1.00 0.00 N ATOM 875 CA THR A 59 2.466 5.737 6.404 1.00 0.00 C ATOM 876 C THR A 59 2.236 4.590 5.421 1.00 0.00 C ATOM 877 O THR A 59 1.731 4.825 4.326 1.00 0.00 O ATOM 878 CB THR A 59 1.162 6.078 7.147 1.00 0.00 C ATOM 879 OG1 THR A 59 1.429 7.042 8.142 1.00 0.00 O ATOM 880 CG2 THR A 59 0.534 4.887 7.875 1.00 0.00 C ATOM 0 H THR A 59 2.307 7.362 5.081 1.00 0.00 H new ATOM 0 HA THR A 59 3.197 5.436 7.155 1.00 0.00 H new ATOM 0 HB THR A 59 0.472 6.426 6.378 1.00 0.00 H new ATOM 0 HG1 THR A 59 0.600 7.262 8.615 1.00 0.00 H new ATOM 0 HG21 THR A 59 -0.381 5.207 8.374 1.00 0.00 H new ATOM 0 HG22 THR A 59 0.299 4.103 7.155 1.00 0.00 H new ATOM 0 HG23 THR A 59 1.236 4.502 8.615 1.00 0.00 H new ATOM 888 N VAL A 60 2.575 3.354 5.798 1.00 0.00 N ATOM 889 CA VAL A 60 2.308 2.151 4.984 1.00 0.00 C ATOM 890 C VAL A 60 1.102 1.389 5.538 1.00 0.00 C ATOM 891 O VAL A 60 1.048 1.062 6.723 1.00 0.00 O ATOM 892 CB VAL A 60 3.551 1.251 4.874 1.00 0.00 C ATOM 893 CG1 VAL A 60 3.277 -0.023 4.064 1.00 0.00 C ATOM 894 CG2 VAL A 60 4.706 1.988 4.186 1.00 0.00 C ATOM 0 H VAL A 60 3.045 3.152 6.680 1.00 0.00 H new ATOM 0 HA VAL A 60 2.067 2.474 3.971 1.00 0.00 H new ATOM 0 HB VAL A 60 3.815 0.985 5.898 1.00 0.00 H new ATOM 0 HG11 VAL A 60 4.184 -0.625 4.015 1.00 0.00 H new ATOM 0 HG12 VAL A 60 2.486 -0.598 4.546 1.00 0.00 H new ATOM 0 HG13 VAL A 60 2.966 0.247 3.055 1.00 0.00 H new ATOM 0 HG21 VAL A 60 5.571 1.329 4.122 1.00 0.00 H new ATOM 0 HG22 VAL A 60 4.401 2.286 3.183 1.00 0.00 H new ATOM 0 HG23 VAL A 60 4.968 2.874 4.764 1.00 0.00 H new ATOM 904 N ALA A 61 0.151 1.080 4.662 1.00 0.00 N ATOM 905 CA ALA A 61 -1.081 0.353 4.939 1.00 0.00 C ATOM 906 C ALA A 61 -1.259 -0.841 3.980 1.00 0.00 C ATOM 907 O ALA A 61 -0.695 -0.860 2.883 1.00 0.00 O ATOM 908 CB ALA A 61 -2.251 1.340 4.842 1.00 0.00 C ATOM 0 H ALA A 61 0.226 1.347 3.680 1.00 0.00 H new ATOM 0 HA ALA A 61 -1.043 -0.069 5.943 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -3.186 0.818 5.046 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -2.115 2.138 5.572 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -2.285 1.767 3.840 1.00 0.00 H new ATOM 914 N LYS A 62 -2.074 -1.827 4.370 1.00 0.00 N ATOM 915 CA LYS A 62 -2.411 -3.006 3.552 1.00 0.00 C ATOM 916 C LYS A 62 -3.926 -3.204 3.441 1.00 0.00 C ATOM 917 O LYS A 62 -4.627 -3.131 4.451 1.00 0.00 O ATOM 918 CB LYS A 62 -1.721 -4.258 4.123 1.00 0.00 C ATOM 919 CG LYS A 62 -0.186 -4.196 4.002 1.00 0.00 C ATOM 920 CD LYS A 62 0.518 -5.408 4.634 1.00 0.00 C ATOM 921 CE LYS A 62 0.230 -6.741 3.930 1.00 0.00 C ATOM 922 NZ LYS A 62 0.944 -6.874 2.634 1.00 0.00 N ATOM 0 H LYS A 62 -2.530 -1.831 5.283 1.00 0.00 H new ATOM 0 HA LYS A 62 -2.041 -2.837 2.541 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -1.995 -4.373 5.172 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -2.088 -5.141 3.600 1.00 0.00 H new ATOM 0 HG2 LYS A 62 0.087 -4.133 2.949 1.00 0.00 H new ATOM 0 HG3 LYS A 62 0.174 -3.285 4.480 1.00 0.00 H new ATOM 0 HD2 LYS A 62 1.594 -5.232 4.629 1.00 0.00 H new ATOM 0 HD3 LYS A 62 0.213 -5.488 5.677 1.00 0.00 H new ATOM 0 HE2 LYS A 62 0.520 -7.563 4.585 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -0.843 -6.832 3.760 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 0.529 -7.656 2.088 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 0.853 -5.989 2.095 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 1.950 -7.070 2.810 1.00 0.00 H new ATOM 936 N LEU A 63 -4.412 -3.477 2.227 1.00 0.00 N ATOM 937 CA LEU A 63 -5.804 -3.834 1.920 1.00 0.00 C ATOM 938 C LEU A 63 -5.848 -5.283 1.425 1.00 0.00 C ATOM 939 O LEU A 63 -5.280 -5.625 0.387 1.00 0.00 O ATOM 940 CB LEU A 63 -6.393 -2.812 0.914 1.00 0.00 C ATOM 941 CG LEU A 63 -7.888 -2.933 0.520 1.00 0.00 C ATOM 942 CD1 LEU A 63 -8.194 -4.188 -0.298 1.00 0.00 C ATOM 943 CD2 LEU A 63 -8.806 -2.881 1.740 1.00 0.00 C ATOM 0 H LEU A 63 -3.823 -3.455 1.395 1.00 0.00 H new ATOM 0 HA LEU A 63 -6.432 -3.783 2.810 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -6.240 -1.815 1.327 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -5.804 -2.872 -0.001 1.00 0.00 H new ATOM 0 HG LEU A 63 -8.087 -2.068 -0.112 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -9.256 -4.214 -0.542 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -7.611 -4.173 -1.219 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -7.934 -5.073 0.282 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -9.844 -2.969 1.418 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -8.564 -3.703 2.413 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -8.667 -1.933 2.260 1.00 0.00 H new ATOM 955 N ASP A 64 -6.543 -6.129 2.180 1.00 0.00 N ATOM 956 CA ASP A 64 -6.693 -7.555 1.918 1.00 0.00 C ATOM 957 C ASP A 64 -7.798 -7.751 0.868 1.00 0.00 C ATOM 958 O ASP A 64 -8.986 -7.732 1.208 1.00 0.00 O ATOM 959 CB ASP A 64 -7.046 -8.268 3.237 1.00 0.00 C ATOM 960 CG ASP A 64 -5.910 -8.342 4.270 1.00 0.00 C ATOM 961 OD1 ASP A 64 -5.158 -7.357 4.448 1.00 0.00 O ATOM 962 OD2 ASP A 64 -5.799 -9.378 4.967 1.00 0.00 O ATOM 0 H ASP A 64 -7.035 -5.828 3.022 1.00 0.00 H new ATOM 0 HA ASP A 64 -5.767 -7.980 1.531 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -7.895 -7.757 3.691 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -7.371 -9.282 3.006 1.00 0.00 H new ATOM 967 N VAL A 65 -7.435 -7.913 -0.410 1.00 0.00 N ATOM 968 CA VAL A 65 -8.405 -7.956 -1.531 1.00 0.00 C ATOM 969 C VAL A 65 -9.342 -9.163 -1.468 1.00 0.00 C ATOM 970 O VAL A 65 -10.424 -9.145 -2.050 1.00 0.00 O ATOM 971 CB VAL A 65 -7.730 -7.915 -2.919 1.00 0.00 C ATOM 972 CG1 VAL A 65 -6.801 -6.704 -3.058 1.00 0.00 C ATOM 973 CG2 VAL A 65 -6.941 -9.170 -3.304 1.00 0.00 C ATOM 0 H VAL A 65 -6.464 -8.019 -0.705 1.00 0.00 H new ATOM 0 HA VAL A 65 -8.996 -7.049 -1.405 1.00 0.00 H new ATOM 0 HB VAL A 65 -8.574 -7.846 -3.606 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -6.344 -6.708 -4.047 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -7.376 -5.787 -2.928 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -6.022 -6.754 -2.298 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -6.508 -9.038 -4.295 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -6.144 -9.335 -2.579 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -7.609 -10.031 -3.312 1.00 0.00 H new ATOM 983 N ASP A 66 -8.938 -10.204 -0.737 1.00 0.00 N ATOM 984 CA ASP A 66 -9.686 -11.457 -0.607 1.00 0.00 C ATOM 985 C ASP A 66 -10.926 -11.320 0.299 1.00 0.00 C ATOM 986 O ASP A 66 -11.879 -12.090 0.169 1.00 0.00 O ATOM 987 CB ASP A 66 -8.727 -12.539 -0.095 1.00 0.00 C ATOM 988 CG ASP A 66 -9.301 -13.945 -0.313 1.00 0.00 C ATOM 989 OD1 ASP A 66 -9.392 -14.364 -1.492 1.00 0.00 O ATOM 990 OD2 ASP A 66 -9.625 -14.638 0.681 1.00 0.00 O ATOM 0 H ASP A 66 -8.065 -10.200 -0.209 1.00 0.00 H new ATOM 0 HA ASP A 66 -10.076 -11.737 -1.586 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -7.770 -12.452 -0.609 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -8.534 -12.384 0.967 1.00 0.00 H new ATOM 995 N THR A 67 -10.931 -10.316 1.189 1.00 0.00 N ATOM 996 CA THR A 67 -12.072 -9.961 2.057 1.00 0.00 C ATOM 997 C THR A 67 -12.600 -8.531 1.825 1.00 0.00 C ATOM 998 O THR A 67 -13.727 -8.222 2.219 1.00 0.00 O ATOM 999 CB THR A 67 -11.735 -10.276 3.526 1.00 0.00 C ATOM 1000 OG1 THR A 67 -12.910 -10.363 4.305 1.00 0.00 O ATOM 1001 CG2 THR A 67 -10.805 -9.259 4.184 1.00 0.00 C ATOM 0 H THR A 67 -10.122 -9.711 1.331 1.00 0.00 H new ATOM 0 HA THR A 67 -12.917 -10.589 1.776 1.00 0.00 H new ATOM 0 HB THR A 67 -11.213 -11.232 3.493 1.00 0.00 H new ATOM 0 HG1 THR A 67 -12.672 -10.565 5.234 1.00 0.00 H new ATOM 0 HG21 THR A 67 -10.617 -9.553 5.217 1.00 0.00 H new ATOM 0 HG22 THR A 67 -9.862 -9.223 3.639 1.00 0.00 H new ATOM 0 HG23 THR A 67 -11.272 -8.274 4.166 1.00 0.00 H new ATOM 1009 N ASN A 68 -11.852 -7.672 1.110 1.00 0.00 N ATOM 1010 CA ASN A 68 -12.292 -6.344 0.662 1.00 0.00 C ATOM 1011 C ASN A 68 -12.281 -6.217 -0.884 1.00 0.00 C ATOM 1012 O ASN A 68 -11.582 -5.353 -1.429 1.00 0.00 O ATOM 1013 CB ASN A 68 -11.416 -5.272 1.332 1.00 0.00 C ATOM 1014 CG ASN A 68 -11.311 -5.394 2.835 1.00 0.00 C ATOM 1015 OD1 ASN A 68 -12.138 -4.895 3.581 1.00 0.00 O ATOM 1016 ND2 ASN A 68 -10.279 -6.046 3.320 1.00 0.00 N ATOM 0 H ASN A 68 -10.899 -7.891 0.821 1.00 0.00 H new ATOM 0 HA ASN A 68 -13.329 -6.196 0.965 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -10.414 -5.322 0.906 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -11.818 -4.289 1.088 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -10.163 -6.139 4.329 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -9.594 -6.459 2.688 1.00 0.00 H new ATOM 1023 N PRO A 69 -13.058 -7.036 -1.625 1.00 0.00 N ATOM 1024 CA PRO A 69 -13.124 -6.945 -3.085 1.00 0.00 C ATOM 1025 C PRO A 69 -13.743 -5.621 -3.559 1.00 0.00 C ATOM 1026 O PRO A 69 -13.428 -5.152 -4.652 1.00 0.00 O ATOM 1027 CB PRO A 69 -13.953 -8.155 -3.529 1.00 0.00 C ATOM 1028 CG PRO A 69 -14.868 -8.415 -2.334 1.00 0.00 C ATOM 1029 CD PRO A 69 -13.972 -8.067 -1.148 1.00 0.00 C ATOM 0 HA PRO A 69 -12.128 -6.956 -3.527 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -14.523 -7.941 -4.433 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -13.322 -9.017 -3.747 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -15.761 -7.791 -2.364 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -15.204 -9.451 -2.298 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -14.562 -7.706 -0.306 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -13.425 -8.944 -0.802 1.00 0.00 H new ATOM 1037 N GLU A 70 -14.569 -4.971 -2.732 1.00 0.00 N ATOM 1038 CA GLU A 70 -15.167 -3.668 -3.045 1.00 0.00 C ATOM 1039 C GLU A 70 -14.101 -2.561 -3.107 1.00 0.00 C ATOM 1040 O GLU A 70 -14.076 -1.780 -4.058 1.00 0.00 O ATOM 1041 CB GLU A 70 -16.256 -3.327 -2.012 1.00 0.00 C ATOM 1042 CG GLU A 70 -17.348 -4.400 -1.856 1.00 0.00 C ATOM 1043 CD GLU A 70 -17.981 -4.792 -3.201 1.00 0.00 C ATOM 1044 OE1 GLU A 70 -18.585 -3.927 -3.877 1.00 0.00 O ATOM 1045 OE2 GLU A 70 -17.836 -5.956 -3.641 1.00 0.00 O ATOM 0 H GLU A 70 -14.843 -5.337 -1.820 1.00 0.00 H new ATOM 0 HA GLU A 70 -15.626 -3.730 -4.031 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -15.782 -3.166 -1.044 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -16.727 -2.386 -2.297 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -16.919 -5.286 -1.388 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -18.124 -4.030 -1.186 1.00 0.00 H new ATOM 1052 N THR A 71 -13.160 -2.543 -2.157 1.00 0.00 N ATOM 1053 CA THR A 71 -12.025 -1.601 -2.133 1.00 0.00 C ATOM 1054 C THR A 71 -11.044 -1.878 -3.272 1.00 0.00 C ATOM 1055 O THR A 71 -10.560 -0.944 -3.910 1.00 0.00 O ATOM 1056 CB THR A 71 -11.294 -1.633 -0.785 1.00 0.00 C ATOM 1057 OG1 THR A 71 -12.202 -1.821 0.274 1.00 0.00 O ATOM 1058 CG2 THR A 71 -10.552 -0.331 -0.492 1.00 0.00 C ATOM 0 H THR A 71 -13.161 -3.191 -1.369 1.00 0.00 H new ATOM 0 HA THR A 71 -12.439 -0.603 -2.272 1.00 0.00 H new ATOM 0 HB THR A 71 -10.585 -2.458 -0.858 1.00 0.00 H new ATOM 0 HG1 THR A 71 -11.714 -1.840 1.124 1.00 0.00 H new ATOM 0 HG21 THR A 71 -10.052 -0.407 0.474 1.00 0.00 H new ATOM 0 HG22 THR A 71 -9.811 -0.151 -1.271 1.00 0.00 H new ATOM 0 HG23 THR A 71 -11.262 0.495 -0.469 1.00 0.00 H new ATOM 1066 N ALA A 72 -10.804 -3.155 -3.591 1.00 0.00 N ATOM 1067 CA ALA A 72 -9.983 -3.560 -4.733 1.00 0.00 C ATOM 1068 C ALA A 72 -10.582 -3.118 -6.081 1.00 0.00 C ATOM 1069 O ALA A 72 -9.853 -2.671 -6.972 1.00 0.00 O ATOM 1070 CB ALA A 72 -9.781 -5.077 -4.658 1.00 0.00 C ATOM 0 H ALA A 72 -11.178 -3.941 -3.059 1.00 0.00 H new ATOM 0 HA ALA A 72 -9.018 -3.057 -4.678 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -9.171 -5.405 -5.500 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -9.278 -5.331 -3.725 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -10.750 -5.575 -4.696 1.00 0.00 H new ATOM 1076 N ARG A 73 -11.912 -3.184 -6.228 1.00 0.00 N ATOM 1077 CA ARG A 73 -12.613 -2.753 -7.446 1.00 0.00 C ATOM 1078 C ARG A 73 -12.726 -1.229 -7.557 1.00 0.00 C ATOM 1079 O ARG A 73 -12.600 -0.697 -8.657 1.00 0.00 O ATOM 1080 CB ARG A 73 -13.994 -3.430 -7.501 1.00 0.00 C ATOM 1081 CG ARG A 73 -14.572 -3.487 -8.928 1.00 0.00 C ATOM 1082 CD ARG A 73 -16.057 -3.884 -8.966 1.00 0.00 C ATOM 1083 NE ARG A 73 -16.352 -5.078 -8.140 1.00 0.00 N ATOM 1084 CZ ARG A 73 -16.945 -5.099 -6.957 1.00 0.00 C ATOM 1085 NH1 ARG A 73 -17.437 -4.028 -6.405 1.00 0.00 N ATOM 1086 NH2 ARG A 73 -17.053 -6.206 -6.287 1.00 0.00 N ATOM 0 H ARG A 73 -12.535 -3.539 -5.503 1.00 0.00 H new ATOM 0 HA ARG A 73 -12.022 -3.066 -8.307 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -13.914 -4.442 -7.105 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -14.685 -2.889 -6.855 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -14.451 -2.512 -9.401 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -13.997 -4.201 -9.518 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -16.661 -3.047 -8.616 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -16.350 -4.080 -9.997 1.00 0.00 H new ATOM 0 HE ARG A 73 -16.068 -5.979 -8.524 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -17.373 -3.131 -6.886 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -17.887 -4.086 -5.491 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -16.678 -7.073 -6.671 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -17.512 -6.208 -5.376 1.00 0.00 H new ATOM 1100 N ASN A 74 -12.907 -0.523 -6.437 1.00 0.00 N ATOM 1101 CA ASN A 74 -13.134 0.929 -6.386 1.00 0.00 C ATOM 1102 C ASN A 74 -12.042 1.752 -7.100 1.00 0.00 C ATOM 1103 O ASN A 74 -12.355 2.731 -7.779 1.00 0.00 O ATOM 1104 CB ASN A 74 -13.257 1.348 -4.909 1.00 0.00 C ATOM 1105 CG ASN A 74 -13.551 2.832 -4.755 1.00 0.00 C ATOM 1106 OD1 ASN A 74 -14.674 3.284 -4.927 1.00 0.00 O ATOM 1107 ND2 ASN A 74 -12.562 3.642 -4.450 1.00 0.00 N ATOM 0 H ASN A 74 -12.900 -0.956 -5.513 1.00 0.00 H new ATOM 0 HA ASN A 74 -14.055 1.143 -6.929 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -14.051 0.771 -4.434 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -12.331 1.107 -4.386 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -12.733 4.643 -4.358 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -11.624 3.269 -4.306 1.00 0.00 H new ATOM 1114 N PHE A 75 -10.775 1.342 -6.971 1.00 0.00 N ATOM 1115 CA PHE A 75 -9.626 1.996 -7.619 1.00 0.00 C ATOM 1116 C PHE A 75 -9.153 1.275 -8.899 1.00 0.00 C ATOM 1117 O PHE A 75 -8.165 1.691 -9.506 1.00 0.00 O ATOM 1118 CB PHE A 75 -8.502 2.178 -6.585 1.00 0.00 C ATOM 1119 CG PHE A 75 -8.916 2.935 -5.335 1.00 0.00 C ATOM 1120 CD1 PHE A 75 -9.038 4.338 -5.365 1.00 0.00 C ATOM 1121 CD2 PHE A 75 -9.188 2.239 -4.142 1.00 0.00 C ATOM 1122 CE1 PHE A 75 -9.427 5.039 -4.210 1.00 0.00 C ATOM 1123 CE2 PHE A 75 -9.584 2.939 -2.988 1.00 0.00 C ATOM 1124 CZ PHE A 75 -9.702 4.340 -3.022 1.00 0.00 C ATOM 0 H PHE A 75 -10.512 0.535 -6.406 1.00 0.00 H new ATOM 0 HA PHE A 75 -9.944 2.978 -7.969 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -8.130 1.196 -6.294 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -7.673 2.706 -7.057 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -8.832 4.877 -6.278 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -9.092 1.164 -4.113 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -9.515 6.115 -4.236 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -9.797 2.401 -2.076 1.00 0.00 H new ATOM 0 HZ PHE A 75 -10.004 4.878 -2.136 1.00 0.00 H new ATOM 1134 N GLN A 76 -9.826 0.191 -9.304 1.00 0.00 N ATOM 1135 CA GLN A 76 -9.388 -0.771 -10.326 1.00 0.00 C ATOM 1136 C GLN A 76 -7.961 -1.298 -10.062 1.00 0.00 C ATOM 1137 O GLN A 76 -7.036 -1.112 -10.855 1.00 0.00 O ATOM 1138 CB GLN A 76 -9.625 -0.203 -11.739 1.00 0.00 C ATOM 1139 CG GLN A 76 -9.560 -1.303 -12.813 1.00 0.00 C ATOM 1140 CD GLN A 76 -9.823 -0.746 -14.210 1.00 0.00 C ATOM 1141 OE1 GLN A 76 -8.916 -0.481 -14.990 1.00 0.00 O ATOM 1142 NE2 GLN A 76 -11.069 -0.535 -14.587 1.00 0.00 N ATOM 0 H GLN A 76 -10.735 -0.052 -8.910 1.00 0.00 H new ATOM 0 HA GLN A 76 -10.008 -1.665 -10.259 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -10.599 0.285 -11.776 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -8.877 0.561 -11.954 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -8.579 -1.777 -12.789 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -10.293 -2.077 -12.586 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -11.837 -0.750 -13.951 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -11.264 -0.157 -15.514 1.00 0.00 H new ATOM 1151 N VAL A 77 -7.785 -1.937 -8.903 1.00 0.00 N ATOM 1152 CA VAL A 77 -6.526 -2.507 -8.400 1.00 0.00 C ATOM 1153 C VAL A 77 -6.698 -3.982 -7.991 1.00 0.00 C ATOM 1154 O VAL A 77 -6.070 -4.473 -7.053 1.00 0.00 O ATOM 1155 CB VAL A 77 -5.954 -1.633 -7.269 1.00 0.00 C ATOM 1156 CG1 VAL A 77 -5.564 -0.234 -7.755 1.00 0.00 C ATOM 1157 CG2 VAL A 77 -6.912 -1.471 -6.088 1.00 0.00 C ATOM 0 H VAL A 77 -8.557 -2.080 -8.252 1.00 0.00 H new ATOM 0 HA VAL A 77 -5.794 -2.504 -9.208 1.00 0.00 H new ATOM 0 HB VAL A 77 -5.067 -2.172 -6.935 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -5.166 0.343 -6.920 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -4.805 -0.318 -8.533 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -6.443 0.269 -8.158 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -6.448 -0.844 -5.326 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -7.835 -1.003 -6.430 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -7.137 -2.450 -5.665 1.00 0.00 H new ATOM 1167 N VAL A 78 -7.588 -4.695 -8.691 1.00 0.00 N ATOM 1168 CA VAL A 78 -7.952 -6.096 -8.403 1.00 0.00 C ATOM 1169 C VAL A 78 -6.840 -7.105 -8.735 1.00 0.00 C ATOM 1170 O VAL A 78 -6.796 -8.185 -8.143 1.00 0.00 O ATOM 1171 CB VAL A 78 -9.266 -6.494 -9.104 1.00 0.00 C ATOM 1172 CG1 VAL A 78 -10.452 -5.672 -8.591 1.00 0.00 C ATOM 1173 CG2 VAL A 78 -9.210 -6.363 -10.633 1.00 0.00 C ATOM 0 H VAL A 78 -8.089 -4.310 -9.492 1.00 0.00 H new ATOM 0 HA VAL A 78 -8.098 -6.140 -7.324 1.00 0.00 H new ATOM 0 HB VAL A 78 -9.403 -7.547 -8.858 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -11.360 -5.981 -9.109 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -10.571 -5.835 -7.520 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -10.270 -4.614 -8.779 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -10.168 -6.660 -11.059 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -8.998 -5.328 -10.902 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -8.424 -7.008 -11.025 1.00 0.00 H new ATOM 1183 N SER A 79 -5.922 -6.755 -9.643 1.00 0.00 N ATOM 1184 CA SER A 79 -4.668 -7.489 -9.887 1.00 0.00 C ATOM 1185 C SER A 79 -3.628 -7.129 -8.820 1.00 0.00 C ATOM 1186 O SER A 79 -3.518 -5.962 -8.438 1.00 0.00 O ATOM 1187 CB SER A 79 -4.110 -7.173 -11.280 1.00 0.00 C ATOM 1188 OG SER A 79 -5.042 -7.546 -12.285 1.00 0.00 O ATOM 0 H SER A 79 -6.029 -5.937 -10.243 1.00 0.00 H new ATOM 0 HA SER A 79 -4.885 -8.556 -9.834 1.00 0.00 H new ATOM 0 HB2 SER A 79 -3.890 -6.108 -11.357 1.00 0.00 H new ATOM 0 HB3 SER A 79 -3.171 -7.705 -11.431 1.00 0.00 H new ATOM 0 HG SER A 79 -4.672 -7.337 -13.168 1.00 0.00 H new ATOM 1194 N ILE A 80 -2.862 -8.111 -8.330 1.00 0.00 N ATOM 1195 CA ILE A 80 -2.015 -7.956 -7.132 1.00 0.00 C ATOM 1196 C ILE A 80 -0.604 -8.572 -7.274 1.00 0.00 C ATOM 1197 O ILE A 80 -0.443 -9.539 -8.026 1.00 0.00 O ATOM 1198 CB ILE A 80 -2.741 -8.506 -5.878 1.00 0.00 C ATOM 1199 CG1 ILE A 80 -3.040 -10.018 -5.954 1.00 0.00 C ATOM 1200 CG2 ILE A 80 -4.007 -7.690 -5.566 1.00 0.00 C ATOM 1201 CD1 ILE A 80 -3.538 -10.562 -4.612 1.00 0.00 C ATOM 0 H ILE A 80 -2.809 -9.039 -8.751 1.00 0.00 H new ATOM 0 HA ILE A 80 -1.853 -6.885 -7.014 1.00 0.00 H new ATOM 0 HB ILE A 80 -2.046 -8.386 -5.047 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -3.790 -10.203 -6.723 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -2.139 -10.553 -6.252 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -4.495 -8.099 -4.681 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -3.734 -6.651 -5.382 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -4.691 -7.741 -6.413 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -3.738 -11.630 -4.704 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -2.777 -10.400 -3.849 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -4.454 -10.044 -4.327 1.00 0.00 H new ATOM 1213 N PRO A 81 0.419 -8.058 -6.553 1.00 0.00 N ATOM 1214 CA PRO A 81 0.373 -6.884 -5.675 1.00 0.00 C ATOM 1215 C PRO A 81 0.226 -5.585 -6.470 1.00 0.00 C ATOM 1216 O PRO A 81 0.871 -5.414 -7.507 1.00 0.00 O ATOM 1217 CB PRO A 81 1.694 -6.886 -4.898 1.00 0.00 C ATOM 1218 CG PRO A 81 2.655 -7.601 -5.844 1.00 0.00 C ATOM 1219 CD PRO A 81 1.758 -8.624 -6.539 1.00 0.00 C ATOM 0 HA PRO A 81 -0.491 -6.935 -5.013 1.00 0.00 H new ATOM 0 HB2 PRO A 81 2.030 -5.874 -4.672 1.00 0.00 H new ATOM 0 HB3 PRO A 81 1.601 -7.410 -3.947 1.00 0.00 H new ATOM 0 HG2 PRO A 81 3.107 -6.911 -6.557 1.00 0.00 H new ATOM 0 HG3 PRO A 81 3.471 -8.081 -5.303 1.00 0.00 H new ATOM 0 HD2 PRO A 81 2.107 -8.820 -7.553 1.00 0.00 H new ATOM 0 HD3 PRO A 81 1.771 -9.576 -6.008 1.00 0.00 H new ATOM 1227 N THR A 82 -0.578 -4.658 -5.951 1.00 0.00 N ATOM 1228 CA THR A 82 -0.672 -3.282 -6.456 1.00 0.00 C ATOM 1229 C THR A 82 -0.475 -2.306 -5.306 1.00 0.00 C ATOM 1230 O THR A 82 -1.218 -2.321 -4.326 1.00 0.00 O ATOM 1231 CB THR A 82 -1.987 -3.015 -7.207 1.00 0.00 C ATOM 1232 OG1 THR A 82 -1.986 -3.724 -8.425 1.00 0.00 O ATOM 1233 CG2 THR A 82 -2.157 -1.545 -7.600 1.00 0.00 C ATOM 0 H THR A 82 -1.192 -4.840 -5.157 1.00 0.00 H new ATOM 0 HA THR A 82 0.121 -3.136 -7.189 1.00 0.00 H new ATOM 0 HB THR A 82 -2.785 -3.319 -6.529 1.00 0.00 H new ATOM 0 HG1 THR A 82 -2.467 -4.570 -8.311 1.00 0.00 H new ATOM 0 HG21 THR A 82 -3.102 -1.416 -8.127 1.00 0.00 H new ATOM 0 HG22 THR A 82 -2.154 -0.926 -6.703 1.00 0.00 H new ATOM 0 HG23 THR A 82 -1.335 -1.245 -8.250 1.00 0.00 H new ATOM 1241 N LEU A 83 0.535 -1.450 -5.430 1.00 0.00 N ATOM 1242 CA LEU A 83 0.882 -0.407 -4.474 1.00 0.00 C ATOM 1243 C LEU A 83 0.378 0.930 -5.030 1.00 0.00 C ATOM 1244 O LEU A 83 0.659 1.267 -6.181 1.00 0.00 O ATOM 1245 CB LEU A 83 2.407 -0.377 -4.255 1.00 0.00 C ATOM 1246 CG LEU A 83 3.026 -1.505 -3.404 1.00 0.00 C ATOM 1247 CD1 LEU A 83 2.849 -2.915 -3.975 1.00 0.00 C ATOM 1248 CD2 LEU A 83 4.531 -1.255 -3.303 1.00 0.00 C ATOM 0 H LEU A 83 1.161 -1.466 -6.236 1.00 0.00 H new ATOM 0 HA LEU A 83 0.416 -0.600 -3.508 1.00 0.00 H new ATOM 0 HB2 LEU A 83 2.888 -0.391 -5.233 1.00 0.00 H new ATOM 0 HB3 LEU A 83 2.661 0.575 -3.788 1.00 0.00 H new ATOM 0 HG LEU A 83 2.505 -1.476 -2.447 1.00 0.00 H new ATOM 0 HD11 LEU A 83 3.317 -3.639 -3.308 1.00 0.00 H new ATOM 0 HD12 LEU A 83 1.786 -3.140 -4.067 1.00 0.00 H new ATOM 0 HD13 LEU A 83 3.318 -2.971 -4.957 1.00 0.00 H new ATOM 0 HD21 LEU A 83 4.991 -2.041 -2.705 1.00 0.00 H new ATOM 0 HD22 LEU A 83 4.968 -1.256 -4.302 1.00 0.00 H new ATOM 0 HD23 LEU A 83 4.708 -0.289 -2.831 1.00 0.00 H new ATOM 1260 N ILE A 84 -0.339 1.707 -4.223 1.00 0.00 N ATOM 1261 CA ILE A 84 -0.799 3.055 -4.582 1.00 0.00 C ATOM 1262 C ILE A 84 -0.367 4.037 -3.485 1.00 0.00 C ATOM 1263 O ILE A 84 -0.553 3.773 -2.297 1.00 0.00 O ATOM 1264 CB ILE A 84 -2.317 3.027 -4.905 1.00 0.00 C ATOM 1265 CG1 ILE A 84 -2.749 4.052 -5.977 1.00 0.00 C ATOM 1266 CG2 ILE A 84 -3.190 3.107 -3.652 1.00 0.00 C ATOM 1267 CD1 ILE A 84 -2.827 5.526 -5.557 1.00 0.00 C ATOM 0 H ILE A 84 -0.623 1.418 -3.287 1.00 0.00 H new ATOM 0 HA ILE A 84 -0.332 3.416 -5.498 1.00 0.00 H new ATOM 0 HB ILE A 84 -2.487 2.047 -5.350 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -2.054 3.977 -6.814 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -3.730 3.756 -6.350 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -4.241 3.083 -3.939 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -2.972 2.260 -3.002 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -2.980 4.035 -3.121 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -3.142 6.130 -6.408 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -3.548 5.636 -4.747 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -1.846 5.860 -5.218 1.00 0.00 H new ATOM 1279 N LEU A 85 0.246 5.155 -3.868 1.00 0.00 N ATOM 1280 CA LEU A 85 0.657 6.224 -2.960 1.00 0.00 C ATOM 1281 C LEU A 85 -0.272 7.432 -3.122 1.00 0.00 C ATOM 1282 O LEU A 85 -0.362 8.023 -4.203 1.00 0.00 O ATOM 1283 CB LEU A 85 2.134 6.569 -3.219 1.00 0.00 C ATOM 1284 CG LEU A 85 2.740 7.579 -2.226 1.00 0.00 C ATOM 1285 CD1 LEU A 85 2.952 6.989 -0.834 1.00 0.00 C ATOM 1286 CD2 LEU A 85 4.102 8.047 -2.733 1.00 0.00 C ATOM 0 H LEU A 85 0.476 5.348 -4.843 1.00 0.00 H new ATOM 0 HA LEU A 85 0.573 5.898 -1.923 1.00 0.00 H new ATOM 0 HB2 LEU A 85 2.719 5.650 -3.185 1.00 0.00 H new ATOM 0 HB3 LEU A 85 2.228 6.970 -4.228 1.00 0.00 H new ATOM 0 HG LEU A 85 2.028 8.401 -2.154 1.00 0.00 H new ATOM 0 HD11 LEU A 85 3.381 7.747 -0.179 1.00 0.00 H new ATOM 0 HD12 LEU A 85 1.995 6.659 -0.429 1.00 0.00 H new ATOM 0 HD13 LEU A 85 3.631 6.139 -0.899 1.00 0.00 H new ATOM 0 HD21 LEU A 85 4.527 8.761 -2.028 1.00 0.00 H new ATOM 0 HD22 LEU A 85 4.769 7.190 -2.828 1.00 0.00 H new ATOM 0 HD23 LEU A 85 3.984 8.524 -3.706 1.00 0.00 H new ATOM 1298 N PHE A 86 -0.925 7.815 -2.029 1.00 0.00 N ATOM 1299 CA PHE A 86 -1.687 9.052 -1.892 1.00 0.00 C ATOM 1300 C PHE A 86 -0.820 10.126 -1.222 1.00 0.00 C ATOM 1301 O PHE A 86 -0.030 9.812 -0.329 1.00 0.00 O ATOM 1302 CB PHE A 86 -2.960 8.807 -1.060 1.00 0.00 C ATOM 1303 CG PHE A 86 -3.934 7.777 -1.611 1.00 0.00 C ATOM 1304 CD1 PHE A 86 -3.784 6.417 -1.281 1.00 0.00 C ATOM 1305 CD2 PHE A 86 -5.024 8.177 -2.408 1.00 0.00 C ATOM 1306 CE1 PHE A 86 -4.711 5.470 -1.752 1.00 0.00 C ATOM 1307 CE2 PHE A 86 -5.932 7.225 -2.905 1.00 0.00 C ATOM 1308 CZ PHE A 86 -5.773 5.867 -2.582 1.00 0.00 C ATOM 0 H PHE A 86 -0.938 7.249 -1.180 1.00 0.00 H new ATOM 0 HA PHE A 86 -1.980 9.397 -2.884 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -2.661 8.495 -0.060 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -3.488 9.755 -0.954 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -2.955 6.100 -0.665 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -5.164 9.223 -2.639 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -4.606 4.432 -1.474 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -6.752 7.538 -3.535 1.00 0.00 H new ATOM 0 HZ PHE A 86 -6.463 5.132 -2.970 1.00 0.00 H new ATOM 1318 N LYS A 87 -1.020 11.397 -1.583 1.00 0.00 N ATOM 1319 CA LYS A 87 -0.588 12.569 -0.802 1.00 0.00 C ATOM 1320 C LYS A 87 -1.819 13.402 -0.433 1.00 0.00 C ATOM 1321 O LYS A 87 -2.646 13.672 -1.300 1.00 0.00 O ATOM 1322 CB LYS A 87 0.464 13.406 -1.549 1.00 0.00 C ATOM 1323 CG LYS A 87 1.753 12.630 -1.881 1.00 0.00 C ATOM 1324 CD LYS A 87 2.820 13.594 -2.422 1.00 0.00 C ATOM 1325 CE LYS A 87 4.058 12.877 -2.964 1.00 0.00 C ATOM 1326 NZ LYS A 87 4.995 13.857 -3.583 1.00 0.00 N ATOM 0 H LYS A 87 -1.498 11.650 -2.448 1.00 0.00 H new ATOM 0 HA LYS A 87 -0.102 12.224 0.111 1.00 0.00 H new ATOM 0 HB2 LYS A 87 0.027 13.780 -2.475 1.00 0.00 H new ATOM 0 HB3 LYS A 87 0.720 14.276 -0.944 1.00 0.00 H new ATOM 0 HG2 LYS A 87 2.125 12.126 -0.989 1.00 0.00 H new ATOM 0 HG3 LYS A 87 1.542 11.856 -2.619 1.00 0.00 H new ATOM 0 HD2 LYS A 87 2.383 14.202 -3.215 1.00 0.00 H new ATOM 0 HD3 LYS A 87 3.122 14.276 -1.627 1.00 0.00 H new ATOM 0 HE2 LYS A 87 4.560 12.344 -2.157 1.00 0.00 H new ATOM 0 HE3 LYS A 87 3.761 12.132 -3.702 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 5.500 13.404 -4.371 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 4.458 14.673 -3.939 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 5.682 14.178 -2.871 1.00 0.00 H new ATOM 1340 N ASP A 88 -1.976 13.770 0.842 1.00 0.00 N ATOM 1341 CA ASP A 88 -3.167 14.473 1.366 1.00 0.00 C ATOM 1342 C ASP A 88 -4.504 13.822 0.918 1.00 0.00 C ATOM 1343 O ASP A 88 -5.419 14.486 0.421 1.00 0.00 O ATOM 1344 CB ASP A 88 -3.051 15.979 1.056 1.00 0.00 C ATOM 1345 CG ASP A 88 -4.152 16.835 1.710 1.00 0.00 C ATOM 1346 OD1 ASP A 88 -4.548 16.555 2.867 1.00 0.00 O ATOM 1347 OD2 ASP A 88 -4.594 17.826 1.079 1.00 0.00 O ATOM 0 H ASP A 88 -1.271 13.588 1.557 1.00 0.00 H new ATOM 0 HA ASP A 88 -3.192 14.367 2.451 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -2.078 16.336 1.393 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -3.086 16.122 -0.024 1.00 0.00 H new ATOM 1352 N GLY A 89 -4.573 12.485 0.995 1.00 0.00 N ATOM 1353 CA GLY A 89 -5.733 11.674 0.598 1.00 0.00 C ATOM 1354 C GLY A 89 -6.060 11.649 -0.905 1.00 0.00 C ATOM 1355 O GLY A 89 -7.128 11.169 -1.281 1.00 0.00 O ATOM 0 H GLY A 89 -3.799 11.921 1.346 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -5.565 10.649 0.929 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -6.608 12.042 1.133 1.00 0.00 H new ATOM 1359 N GLN A 90 -5.177 12.160 -1.770 1.00 0.00 N ATOM 1360 CA GLN A 90 -5.356 12.233 -3.229 1.00 0.00 C ATOM 1361 C GLN A 90 -4.270 11.398 -3.938 1.00 0.00 C ATOM 1362 O GLN A 90 -3.113 11.446 -3.516 1.00 0.00 O ATOM 1363 CB GLN A 90 -5.314 13.708 -3.663 1.00 0.00 C ATOM 1364 CG GLN A 90 -6.529 14.507 -3.153 1.00 0.00 C ATOM 1365 CD GLN A 90 -6.195 15.984 -2.957 1.00 0.00 C ATOM 1366 OE1 GLN A 90 -6.327 16.809 -3.853 1.00 0.00 O ATOM 1367 NE2 GLN A 90 -5.742 16.369 -1.783 1.00 0.00 N ATOM 0 H GLN A 90 -4.285 12.549 -1.465 1.00 0.00 H new ATOM 0 HA GLN A 90 -6.323 11.816 -3.512 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -4.398 14.167 -3.290 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -5.278 13.763 -4.751 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -7.351 14.411 -3.863 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -6.872 14.084 -2.209 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -5.629 15.688 -1.032 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -5.504 17.348 -1.624 1.00 0.00 H new ATOM 1376 N PRO A 91 -4.594 10.598 -4.973 1.00 0.00 N ATOM 1377 CA PRO A 91 -3.647 9.649 -5.568 1.00 0.00 C ATOM 1378 C PRO A 91 -2.529 10.355 -6.356 1.00 0.00 C ATOM 1379 O PRO A 91 -2.781 11.322 -7.080 1.00 0.00 O ATOM 1380 CB PRO A 91 -4.498 8.732 -6.452 1.00 0.00 C ATOM 1381 CG PRO A 91 -5.684 9.613 -6.844 1.00 0.00 C ATOM 1382 CD PRO A 91 -5.903 10.466 -5.595 1.00 0.00 C ATOM 0 HA PRO A 91 -3.116 9.082 -4.804 1.00 0.00 H new ATOM 0 HB2 PRO A 91 -3.944 8.392 -7.327 1.00 0.00 H new ATOM 0 HB3 PRO A 91 -4.821 7.841 -5.913 1.00 0.00 H new ATOM 0 HG2 PRO A 91 -5.461 10.226 -7.718 1.00 0.00 H new ATOM 0 HG3 PRO A 91 -6.565 9.019 -7.087 1.00 0.00 H new ATOM 0 HD2 PRO A 91 -6.313 11.442 -5.855 1.00 0.00 H new ATOM 0 HD3 PRO A 91 -6.613 9.992 -4.917 1.00 0.00 H new ATOM 1390 N VAL A 92 -1.293 9.851 -6.233 1.00 0.00 N ATOM 1391 CA VAL A 92 -0.080 10.445 -6.838 1.00 0.00 C ATOM 1392 C VAL A 92 0.752 9.434 -7.644 1.00 0.00 C ATOM 1393 O VAL A 92 1.248 9.787 -8.717 1.00 0.00 O ATOM 1394 CB VAL A 92 0.767 11.155 -5.754 1.00 0.00 C ATOM 1395 CG1 VAL A 92 2.089 11.705 -6.308 1.00 0.00 C ATOM 1396 CG2 VAL A 92 -0.006 12.349 -5.180 1.00 0.00 C ATOM 0 H VAL A 92 -1.099 9.003 -5.701 1.00 0.00 H new ATOM 0 HA VAL A 92 -0.413 11.188 -7.562 1.00 0.00 H new ATOM 0 HB VAL A 92 0.978 10.404 -4.993 1.00 0.00 H new ATOM 0 HG11 VAL A 92 2.644 12.193 -5.507 1.00 0.00 H new ATOM 0 HG12 VAL A 92 2.682 10.886 -6.714 1.00 0.00 H new ATOM 0 HG13 VAL A 92 1.880 12.427 -7.097 1.00 0.00 H new ATOM 0 HG21 VAL A 92 0.598 12.842 -4.418 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -0.230 13.056 -5.979 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -0.937 11.999 -4.734 1.00 0.00 H new ATOM 1406 N LYS A 93 0.886 8.181 -7.183 1.00 0.00 N ATOM 1407 CA LYS A 93 1.656 7.117 -7.869 1.00 0.00 C ATOM 1408 C LYS A 93 0.970 5.752 -7.745 1.00 0.00 C ATOM 1409 O LYS A 93 0.413 5.443 -6.692 1.00 0.00 O ATOM 1410 CB LYS A 93 3.092 7.099 -7.300 1.00 0.00 C ATOM 1411 CG LYS A 93 4.013 6.014 -7.893 1.00 0.00 C ATOM 1412 CD LYS A 93 5.399 6.011 -7.227 1.00 0.00 C ATOM 1413 CE LYS A 93 6.264 7.224 -7.597 1.00 0.00 C ATOM 1414 NZ LYS A 93 6.941 7.059 -8.907 1.00 0.00 N ATOM 0 H LYS A 93 0.459 7.868 -6.311 1.00 0.00 H new ATOM 0 HA LYS A 93 1.700 7.333 -8.937 1.00 0.00 H new ATOM 0 HB2 LYS A 93 3.547 8.074 -7.472 1.00 0.00 H new ATOM 0 HB3 LYS A 93 3.037 6.958 -6.221 1.00 0.00 H new ATOM 0 HG2 LYS A 93 3.548 5.036 -7.769 1.00 0.00 H new ATOM 0 HG3 LYS A 93 4.126 6.179 -8.964 1.00 0.00 H new ATOM 0 HD2 LYS A 93 5.272 5.983 -6.145 1.00 0.00 H new ATOM 0 HD3 LYS A 93 5.926 5.100 -7.510 1.00 0.00 H new ATOM 0 HE2 LYS A 93 5.640 8.117 -7.624 1.00 0.00 H new ATOM 0 HE3 LYS A 93 7.013 7.382 -6.821 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 7.651 7.809 -9.028 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 7.408 6.131 -8.942 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 6.238 7.122 -9.671 1.00 0.00 H new ATOM 1428 N ARG A 94 1.055 4.921 -8.790 1.00 0.00 N ATOM 1429 CA ARG A 94 0.631 3.506 -8.802 1.00 0.00 C ATOM 1430 C ARG A 94 1.738 2.593 -9.345 1.00 0.00 C ATOM 1431 O ARG A 94 2.408 2.940 -10.319 1.00 0.00 O ATOM 1432 CB ARG A 94 -0.680 3.370 -9.597 1.00 0.00 C ATOM 1433 CG ARG A 94 -1.323 1.979 -9.443 1.00 0.00 C ATOM 1434 CD ARG A 94 -2.624 1.841 -10.242 1.00 0.00 C ATOM 1435 NE ARG A 94 -3.694 2.716 -9.722 1.00 0.00 N ATOM 1436 CZ ARG A 94 -4.994 2.540 -9.871 1.00 0.00 C ATOM 1437 NH1 ARG A 94 -5.499 1.576 -10.582 1.00 0.00 N ATOM 1438 NH2 ARG A 94 -5.846 3.328 -9.287 1.00 0.00 N ATOM 0 H ARG A 94 1.435 5.222 -9.688 1.00 0.00 H new ATOM 0 HA ARG A 94 0.445 3.180 -7.779 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -1.385 4.131 -9.262 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -0.483 3.560 -10.652 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -0.616 1.217 -9.772 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -1.526 1.791 -8.389 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -2.434 2.085 -11.287 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -2.958 0.804 -10.212 1.00 0.00 H new ATOM 0 HE ARG A 94 -3.399 3.538 -9.195 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -4.883 0.914 -11.055 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -6.511 1.481 -10.667 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -5.514 4.096 -8.704 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -6.847 3.179 -9.412 1.00 0.00 H new ATOM 1452 N ILE A 95 1.906 1.428 -8.724 1.00 0.00 N ATOM 1453 CA ILE A 95 2.861 0.366 -9.079 1.00 0.00 C ATOM 1454 C ILE A 95 2.121 -0.982 -9.050 1.00 0.00 C ATOM 1455 O ILE A 95 1.349 -1.223 -8.126 1.00 0.00 O ATOM 1456 CB ILE A 95 4.060 0.331 -8.089 1.00 0.00 C ATOM 1457 CG1 ILE A 95 4.569 1.724 -7.638 1.00 0.00 C ATOM 1458 CG2 ILE A 95 5.206 -0.491 -8.704 1.00 0.00 C ATOM 1459 CD1 ILE A 95 5.613 1.672 -6.514 1.00 0.00 C ATOM 0 H ILE A 95 1.347 1.179 -7.908 1.00 0.00 H new ATOM 0 HA ILE A 95 3.260 0.563 -10.074 1.00 0.00 H new ATOM 0 HB ILE A 95 3.691 -0.141 -7.179 1.00 0.00 H new ATOM 0 HG12 ILE A 95 5.000 2.238 -8.497 1.00 0.00 H new ATOM 0 HG13 ILE A 95 3.719 2.319 -7.304 1.00 0.00 H new ATOM 0 HG21 ILE A 95 6.048 -0.517 -8.012 1.00 0.00 H new ATOM 0 HG22 ILE A 95 4.862 -1.508 -8.896 1.00 0.00 H new ATOM 0 HG23 ILE A 95 5.521 -0.032 -9.641 1.00 0.00 H new ATOM 0 HD11 ILE A 95 5.919 2.685 -6.255 1.00 0.00 H new ATOM 0 HD12 ILE A 95 5.181 1.188 -5.638 1.00 0.00 H new ATOM 0 HD13 ILE A 95 6.481 1.105 -6.850 1.00 0.00 H new ATOM 1471 N VAL A 96 2.368 -1.883 -10.003 1.00 0.00 N ATOM 1472 CA VAL A 96 1.850 -3.271 -9.987 1.00 0.00 C ATOM 1473 C VAL A 96 2.969 -4.275 -10.283 1.00 0.00 C ATOM 1474 O VAL A 96 3.863 -4.009 -11.090 1.00 0.00 O ATOM 1475 CB VAL A 96 0.605 -3.439 -10.890 1.00 0.00 C ATOM 1476 CG1 VAL A 96 0.826 -2.944 -12.327 1.00 0.00 C ATOM 1477 CG2 VAL A 96 0.091 -4.884 -10.960 1.00 0.00 C ATOM 0 H VAL A 96 2.940 -1.676 -10.822 1.00 0.00 H new ATOM 0 HA VAL A 96 1.498 -3.492 -8.979 1.00 0.00 H new ATOM 0 HB VAL A 96 -0.145 -2.815 -10.404 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -0.085 -3.091 -12.907 1.00 0.00 H new ATOM 0 HG12 VAL A 96 1.080 -1.884 -12.312 1.00 0.00 H new ATOM 0 HG13 VAL A 96 1.641 -3.505 -12.784 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -0.783 -4.928 -11.610 1.00 0.00 H new ATOM 0 HG22 VAL A 96 0.873 -5.530 -11.359 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -0.183 -5.222 -9.960 1.00 0.00 H new ATOM 1487 N GLY A 97 2.931 -5.421 -9.598 1.00 0.00 N ATOM 1488 CA GLY A 97 4.030 -6.389 -9.532 1.00 0.00 C ATOM 1489 C GLY A 97 5.028 -6.072 -8.408 1.00 0.00 C ATOM 1490 O GLY A 97 5.161 -4.926 -7.971 1.00 0.00 O ATOM 0 H GLY A 97 2.114 -5.709 -9.060 1.00 0.00 H new ATOM 0 HA2 GLY A 97 3.621 -7.388 -9.379 1.00 0.00 H new ATOM 0 HA3 GLY A 97 4.556 -6.402 -10.487 1.00 0.00 H new ATOM 1494 N ALA A 98 5.711 -7.104 -7.906 1.00 0.00 N ATOM 1495 CA ALA A 98 6.647 -6.984 -6.787 1.00 0.00 C ATOM 1496 C ALA A 98 7.957 -6.274 -7.187 1.00 0.00 C ATOM 1497 O ALA A 98 8.486 -6.490 -8.282 1.00 0.00 O ATOM 1498 CB ALA A 98 6.911 -8.379 -6.209 1.00 0.00 C ATOM 0 H ALA A 98 5.629 -8.054 -8.268 1.00 0.00 H new ATOM 0 HA ALA A 98 6.195 -6.354 -6.021 1.00 0.00 H new ATOM 0 HB1 ALA A 98 7.608 -8.301 -5.374 1.00 0.00 H new ATOM 0 HB2 ALA A 98 5.973 -8.812 -5.860 1.00 0.00 H new ATOM 0 HB3 ALA A 98 7.340 -9.018 -6.981 1.00 0.00 H new ATOM 1504 N LYS A 99 8.498 -5.461 -6.270 1.00 0.00 N ATOM 1505 CA LYS A 99 9.806 -4.788 -6.381 1.00 0.00 C ATOM 1506 C LYS A 99 10.632 -5.011 -5.108 1.00 0.00 C ATOM 1507 O LYS A 99 10.076 -5.043 -4.010 1.00 0.00 O ATOM 1508 CB LYS A 99 9.616 -3.287 -6.693 1.00 0.00 C ATOM 1509 CG LYS A 99 8.944 -3.062 -8.060 1.00 0.00 C ATOM 1510 CD LYS A 99 8.996 -1.599 -8.534 1.00 0.00 C ATOM 1511 CE LYS A 99 8.328 -1.503 -9.915 1.00 0.00 C ATOM 1512 NZ LYS A 99 8.578 -0.199 -10.590 1.00 0.00 N ATOM 0 H LYS A 99 8.021 -5.243 -5.395 1.00 0.00 H new ATOM 0 HA LYS A 99 10.362 -5.225 -7.211 1.00 0.00 H new ATOM 0 HB2 LYS A 99 9.010 -2.828 -5.912 1.00 0.00 H new ATOM 0 HB3 LYS A 99 10.585 -2.788 -6.679 1.00 0.00 H new ATOM 0 HG2 LYS A 99 9.429 -3.694 -8.803 1.00 0.00 H new ATOM 0 HG3 LYS A 99 7.903 -3.380 -8.001 1.00 0.00 H new ATOM 0 HD2 LYS A 99 8.484 -0.953 -7.821 1.00 0.00 H new ATOM 0 HD3 LYS A 99 10.029 -1.257 -8.590 1.00 0.00 H new ATOM 0 HE2 LYS A 99 8.696 -2.311 -10.548 1.00 0.00 H new ATOM 0 HE3 LYS A 99 7.254 -1.649 -9.804 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 8.222 -0.240 -11.566 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 8.087 0.559 -10.074 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 9.600 -0.005 -10.602 1.00 0.00 H new ATOM 1526 N GLY A 100 11.950 -5.163 -5.253 1.00 0.00 N ATOM 1527 CA GLY A 100 12.893 -5.274 -4.137 1.00 0.00 C ATOM 1528 C GLY A 100 13.197 -3.907 -3.530 1.00 0.00 C ATOM 1529 O GLY A 100 12.841 -2.877 -4.102 1.00 0.00 O ATOM 0 H GLY A 100 12.401 -5.213 -6.167 1.00 0.00 H new ATOM 0 HA2 GLY A 100 12.478 -5.930 -3.372 1.00 0.00 H new ATOM 0 HA3 GLY A 100 13.818 -5.734 -4.484 1.00 0.00 H new ATOM 1533 N LYS A 101 13.883 -3.876 -2.384 1.00 0.00 N ATOM 1534 CA LYS A 101 14.181 -2.638 -1.626 1.00 0.00 C ATOM 1535 C LYS A 101 14.849 -1.551 -2.456 1.00 0.00 C ATOM 1536 O LYS A 101 14.536 -0.377 -2.286 1.00 0.00 O ATOM 1537 CB LYS A 101 15.054 -2.991 -0.411 1.00 0.00 C ATOM 1538 CG LYS A 101 15.193 -1.865 0.626 1.00 0.00 C ATOM 1539 CD LYS A 101 13.871 -1.523 1.333 1.00 0.00 C ATOM 1540 CE LYS A 101 14.017 -0.411 2.379 1.00 0.00 C ATOM 1541 NZ LYS A 101 15.042 -0.740 3.403 1.00 0.00 N ATOM 0 H LYS A 101 14.256 -4.717 -1.943 1.00 0.00 H new ATOM 0 HA LYS A 101 13.225 -2.221 -1.310 1.00 0.00 H new ATOM 0 HB2 LYS A 101 14.633 -3.869 0.079 1.00 0.00 H new ATOM 0 HB3 LYS A 101 16.048 -3.268 -0.763 1.00 0.00 H new ATOM 0 HG2 LYS A 101 15.931 -2.157 1.373 1.00 0.00 H new ATOM 0 HG3 LYS A 101 15.575 -0.971 0.133 1.00 0.00 H new ATOM 0 HD2 LYS A 101 13.136 -1.218 0.588 1.00 0.00 H new ATOM 0 HD3 LYS A 101 13.482 -2.419 1.816 1.00 0.00 H new ATOM 0 HE2 LYS A 101 14.287 0.521 1.882 1.00 0.00 H new ATOM 0 HE3 LYS A 101 13.057 -0.245 2.868 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 15.014 -0.030 4.163 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 14.846 -1.681 3.801 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 15.984 -0.740 2.963 1.00 0.00 H new ATOM 1555 N ALA A 102 15.711 -1.948 -3.384 1.00 0.00 N ATOM 1556 CA ALA A 102 16.391 -1.018 -4.284 1.00 0.00 C ATOM 1557 C ALA A 102 15.389 -0.282 -5.192 1.00 0.00 C ATOM 1558 O ALA A 102 15.357 0.951 -5.216 1.00 0.00 O ATOM 1559 CB ALA A 102 17.452 -1.789 -5.081 1.00 0.00 C ATOM 0 H ALA A 102 15.960 -2.925 -3.536 1.00 0.00 H new ATOM 0 HA ALA A 102 16.890 -0.242 -3.704 1.00 0.00 H new ATOM 0 HB1 ALA A 102 17.967 -1.106 -5.757 1.00 0.00 H new ATOM 0 HB2 ALA A 102 18.173 -2.232 -4.394 1.00 0.00 H new ATOM 0 HB3 ALA A 102 16.971 -2.578 -5.659 1.00 0.00 H new ATOM 1565 N ALA A 103 14.534 -1.032 -5.894 1.00 0.00 N ATOM 1566 CA ALA A 103 13.551 -0.503 -6.838 1.00 0.00 C ATOM 1567 C ALA A 103 12.332 0.143 -6.149 1.00 0.00 C ATOM 1568 O ALA A 103 11.873 1.196 -6.599 1.00 0.00 O ATOM 1569 CB ALA A 103 13.167 -1.635 -7.796 1.00 0.00 C ATOM 0 H ALA A 103 14.508 -2.049 -5.818 1.00 0.00 H new ATOM 0 HA ALA A 103 13.995 0.318 -7.401 1.00 0.00 H new ATOM 0 HB1 ALA A 103 12.433 -1.270 -8.514 1.00 0.00 H new ATOM 0 HB2 ALA A 103 14.055 -1.979 -8.327 1.00 0.00 H new ATOM 0 HB3 ALA A 103 12.740 -2.462 -7.229 1.00 0.00 H new ATOM 1575 N LEU A 104 11.844 -0.409 -5.027 1.00 0.00 N ATOM 1576 CA LEU A 104 10.786 0.231 -4.241 1.00 0.00 C ATOM 1577 C LEU A 104 11.295 1.524 -3.583 1.00 0.00 C ATOM 1578 O LEU A 104 10.561 2.509 -3.559 1.00 0.00 O ATOM 1579 CB LEU A 104 10.172 -0.768 -3.236 1.00 0.00 C ATOM 1580 CG LEU A 104 8.932 -0.229 -2.482 1.00 0.00 C ATOM 1581 CD1 LEU A 104 7.818 0.245 -3.421 1.00 0.00 C ATOM 1582 CD2 LEU A 104 8.333 -1.304 -1.576 1.00 0.00 C ATOM 0 H LEU A 104 12.168 -1.298 -4.646 1.00 0.00 H new ATOM 0 HA LEU A 104 9.978 0.530 -4.909 1.00 0.00 H new ATOM 0 HB2 LEU A 104 9.892 -1.677 -3.769 1.00 0.00 H new ATOM 0 HB3 LEU A 104 10.933 -1.047 -2.507 1.00 0.00 H new ATOM 0 HG LEU A 104 9.296 0.619 -1.902 1.00 0.00 H new ATOM 0 HD11 LEU A 104 6.977 0.611 -2.832 1.00 0.00 H new ATOM 0 HD12 LEU A 104 8.194 1.048 -4.055 1.00 0.00 H new ATOM 0 HD13 LEU A 104 7.490 -0.586 -4.045 1.00 0.00 H new ATOM 0 HD21 LEU A 104 7.463 -0.900 -1.058 1.00 0.00 H new ATOM 0 HD22 LEU A 104 8.031 -2.161 -2.179 1.00 0.00 H new ATOM 0 HD23 LEU A 104 9.077 -1.619 -0.845 1.00 0.00 H new ATOM 1594 N LEU A 105 12.563 1.592 -3.150 1.00 0.00 N ATOM 1595 CA LEU A 105 13.146 2.870 -2.733 1.00 0.00 C ATOM 1596 C LEU A 105 13.472 3.789 -3.914 1.00 0.00 C ATOM 1597 O LEU A 105 13.411 4.983 -3.696 1.00 0.00 O ATOM 1598 CB LEU A 105 14.322 2.717 -1.752 1.00 0.00 C ATOM 1599 CG LEU A 105 14.783 4.055 -1.111 1.00 0.00 C ATOM 1600 CD1 LEU A 105 13.687 4.775 -0.316 1.00 0.00 C ATOM 1601 CD2 LEU A 105 15.934 3.769 -0.148 1.00 0.00 C ATOM 0 H LEU A 105 13.192 0.792 -3.081 1.00 0.00 H new ATOM 0 HA LEU A 105 12.362 3.373 -2.167 1.00 0.00 H new ATOM 0 HB2 LEU A 105 14.034 2.026 -0.960 1.00 0.00 H new ATOM 0 HB3 LEU A 105 15.165 2.267 -2.277 1.00 0.00 H new ATOM 0 HG LEU A 105 15.073 4.705 -1.937 1.00 0.00 H new ATOM 0 HD11 LEU A 105 14.087 5.700 0.100 1.00 0.00 H new ATOM 0 HD12 LEU A 105 12.851 5.006 -0.976 1.00 0.00 H new ATOM 0 HD13 LEU A 105 13.343 4.132 0.494 1.00 0.00 H new ATOM 0 HD21 LEU A 105 16.267 4.701 0.309 1.00 0.00 H new ATOM 0 HD22 LEU A 105 15.596 3.084 0.630 1.00 0.00 H new ATOM 0 HD23 LEU A 105 16.762 3.317 -0.694 1.00 0.00 H new ATOM 1613 N ARG A 106 13.717 3.357 -5.161 1.00 0.00 N ATOM 1614 CA ARG A 106 13.677 4.327 -6.289 1.00 0.00 C ATOM 1615 C ARG A 106 12.289 4.977 -6.393 1.00 0.00 C ATOM 1616 O ARG A 106 12.161 6.205 -6.356 1.00 0.00 O ATOM 1617 CB ARG A 106 14.096 3.709 -7.641 1.00 0.00 C ATOM 1618 CG ARG A 106 15.536 3.177 -7.741 1.00 0.00 C ATOM 1619 CD ARG A 106 16.580 4.084 -7.074 1.00 0.00 C ATOM 1620 NE ARG A 106 17.956 3.601 -7.295 1.00 0.00 N ATOM 1621 CZ ARG A 106 18.624 2.721 -6.568 1.00 0.00 C ATOM 1622 NH1 ARG A 106 18.072 2.043 -5.601 1.00 0.00 N ATOM 1623 NH2 ARG A 106 19.885 2.502 -6.805 1.00 0.00 N ATOM 0 H ARG A 106 13.935 2.394 -5.417 1.00 0.00 H new ATOM 0 HA ARG A 106 14.417 5.095 -6.063 1.00 0.00 H new ATOM 0 HB2 ARG A 106 13.414 2.889 -7.866 1.00 0.00 H new ATOM 0 HB3 ARG A 106 13.957 4.462 -8.417 1.00 0.00 H new ATOM 0 HG2 ARG A 106 15.581 2.189 -7.283 1.00 0.00 H new ATOM 0 HG3 ARG A 106 15.795 3.053 -8.792 1.00 0.00 H new ATOM 0 HD2 ARG A 106 16.484 5.096 -7.467 1.00 0.00 H new ATOM 0 HD3 ARG A 106 16.382 4.137 -6.003 1.00 0.00 H new ATOM 0 HE ARG A 106 18.448 3.990 -8.100 1.00 0.00 H new ATOM 0 HH11 ARG A 106 17.086 2.181 -5.379 1.00 0.00 H new ATOM 0 HH12 ARG A 106 18.626 1.374 -5.066 1.00 0.00 H new ATOM 0 HH21 ARG A 106 20.359 3.009 -7.552 1.00 0.00 H new ATOM 0 HH22 ARG A 106 20.399 1.823 -6.244 1.00 0.00 H new ATOM 1637 N GLU A 107 11.250 4.145 -6.422 1.00 0.00 N ATOM 1638 CA GLU A 107 9.851 4.577 -6.546 1.00 0.00 C ATOM 1639 C GLU A 107 9.376 5.477 -5.394 1.00 0.00 C ATOM 1640 O GLU A 107 8.553 6.360 -5.616 1.00 0.00 O ATOM 1641 CB GLU A 107 8.945 3.346 -6.646 1.00 0.00 C ATOM 1642 CG GLU A 107 9.096 2.626 -7.992 1.00 0.00 C ATOM 1643 CD GLU A 107 8.223 3.215 -9.115 1.00 0.00 C ATOM 1644 OE1 GLU A 107 8.022 4.454 -9.176 1.00 0.00 O ATOM 1645 OE2 GLU A 107 7.761 2.405 -9.956 1.00 0.00 O ATOM 0 H GLU A 107 11.354 3.132 -6.359 1.00 0.00 H new ATOM 0 HA GLU A 107 9.790 5.181 -7.452 1.00 0.00 H new ATOM 0 HB2 GLU A 107 9.182 2.655 -5.837 1.00 0.00 H new ATOM 0 HB3 GLU A 107 7.907 3.649 -6.512 1.00 0.00 H new ATOM 0 HG2 GLU A 107 10.141 2.665 -8.299 1.00 0.00 H new ATOM 0 HG3 GLU A 107 8.842 1.574 -7.861 1.00 0.00 H new ATOM 1652 N LEU A 108 9.891 5.284 -4.176 1.00 0.00 N ATOM 1653 CA LEU A 108 9.538 6.096 -3.003 1.00 0.00 C ATOM 1654 C LEU A 108 10.558 7.194 -2.684 1.00 0.00 C ATOM 1655 O LEU A 108 10.183 8.218 -2.119 1.00 0.00 O ATOM 1656 CB LEU A 108 9.272 5.172 -1.809 1.00 0.00 C ATOM 1657 CG LEU A 108 8.125 4.178 -2.072 1.00 0.00 C ATOM 1658 CD1 LEU A 108 8.031 3.227 -0.891 1.00 0.00 C ATOM 1659 CD2 LEU A 108 6.764 4.855 -2.259 1.00 0.00 C ATOM 0 H LEU A 108 10.572 4.552 -3.972 1.00 0.00 H new ATOM 0 HA LEU A 108 8.625 6.643 -3.238 1.00 0.00 H new ATOM 0 HB2 LEU A 108 10.181 4.618 -1.574 1.00 0.00 H new ATOM 0 HB3 LEU A 108 9.031 5.776 -0.934 1.00 0.00 H new ATOM 0 HG LEU A 108 8.357 3.659 -3.002 1.00 0.00 H new ATOM 0 HD11 LEU A 108 7.223 2.515 -1.060 1.00 0.00 H new ATOM 0 HD12 LEU A 108 8.972 2.688 -0.782 1.00 0.00 H new ATOM 0 HD13 LEU A 108 7.830 3.794 0.018 1.00 0.00 H new ATOM 0 HD21 LEU A 108 6.002 4.097 -2.440 1.00 0.00 H new ATOM 0 HD22 LEU A 108 6.510 5.416 -1.360 1.00 0.00 H new ATOM 0 HD23 LEU A 108 6.809 5.534 -3.110 1.00 0.00 H new ATOM 1671 N SER A 109 11.814 7.061 -3.108 1.00 0.00 N ATOM 1672 CA SER A 109 12.809 8.150 -3.082 1.00 0.00 C ATOM 1673 C SER A 109 12.452 9.249 -4.100 1.00 0.00 C ATOM 1674 O SER A 109 12.798 10.415 -3.916 1.00 0.00 O ATOM 1675 CB SER A 109 14.244 7.663 -3.303 1.00 0.00 C ATOM 1676 OG SER A 109 15.172 8.710 -3.092 1.00 0.00 O ATOM 0 H SER A 109 12.181 6.187 -3.485 1.00 0.00 H new ATOM 0 HA SER A 109 12.771 8.569 -2.076 1.00 0.00 H new ATOM 0 HB2 SER A 109 14.461 6.838 -2.624 1.00 0.00 H new ATOM 0 HB3 SER A 109 14.349 7.278 -4.317 1.00 0.00 H new ATOM 0 HG SER A 109 14.912 9.223 -2.298 1.00 0.00 H new ATOM 1682 N ASP A 110 11.641 8.915 -5.113 1.00 0.00 N ATOM 1683 CA ASP A 110 10.910 9.886 -5.948 1.00 0.00 C ATOM 1684 C ASP A 110 10.049 10.880 -5.116 1.00 0.00 C ATOM 1685 O ASP A 110 9.721 11.970 -5.589 1.00 0.00 O ATOM 1686 CB ASP A 110 10.034 9.081 -6.926 1.00 0.00 C ATOM 1687 CG ASP A 110 9.539 9.847 -8.164 1.00 0.00 C ATOM 1688 OD1 ASP A 110 10.198 10.813 -8.618 1.00 0.00 O ATOM 1689 OD2 ASP A 110 8.511 9.411 -8.740 1.00 0.00 O ATOM 0 H ASP A 110 11.470 7.946 -5.382 1.00 0.00 H new ATOM 0 HA ASP A 110 11.628 10.508 -6.482 1.00 0.00 H new ATOM 0 HB2 ASP A 110 10.601 8.212 -7.262 1.00 0.00 H new ATOM 0 HB3 ASP A 110 9.167 8.705 -6.383 1.00 0.00 H new ATOM 1694 N VAL A 111 9.723 10.532 -3.859 1.00 0.00 N ATOM 1695 CA VAL A 111 9.079 11.380 -2.839 1.00 0.00 C ATOM 1696 C VAL A 111 10.023 11.693 -1.655 1.00 0.00 C ATOM 1697 O VAL A 111 9.918 12.767 -1.060 1.00 0.00 O ATOM 1698 CB VAL A 111 7.770 10.694 -2.385 1.00 0.00 C ATOM 1699 CG1 VAL A 111 7.064 11.450 -1.260 1.00 0.00 C ATOM 1700 CG2 VAL A 111 6.806 10.564 -3.574 1.00 0.00 C ATOM 0 H VAL A 111 9.913 9.594 -3.506 1.00 0.00 H new ATOM 0 HA VAL A 111 8.841 12.350 -3.276 1.00 0.00 H new ATOM 0 HB VAL A 111 8.049 9.712 -2.004 1.00 0.00 H new ATOM 0 HG11 VAL A 111 6.152 10.922 -0.983 1.00 0.00 H new ATOM 0 HG12 VAL A 111 7.724 11.514 -0.395 1.00 0.00 H new ATOM 0 HG13 VAL A 111 6.812 12.455 -1.599 1.00 0.00 H new ATOM 0 HG21 VAL A 111 5.886 10.080 -3.246 1.00 0.00 H new ATOM 0 HG22 VAL A 111 6.575 11.555 -3.965 1.00 0.00 H new ATOM 0 HG23 VAL A 111 7.272 9.965 -4.356 1.00 0.00 H new ATOM 1710 N VAL A 112 10.974 10.803 -1.341 1.00 0.00 N ATOM 1711 CA VAL A 112 11.985 10.917 -0.265 1.00 0.00 C ATOM 1712 C VAL A 112 13.409 10.977 -0.853 1.00 0.00 C ATOM 1713 O VAL A 112 14.171 10.009 -0.743 1.00 0.00 O ATOM 1714 CB VAL A 112 11.808 9.789 0.788 1.00 0.00 C ATOM 1715 CG1 VAL A 112 12.633 10.106 2.045 1.00 0.00 C ATOM 1716 CG2 VAL A 112 10.344 9.649 1.237 1.00 0.00 C ATOM 0 H VAL A 112 11.069 9.929 -1.859 1.00 0.00 H new ATOM 0 HA VAL A 112 11.829 11.857 0.264 1.00 0.00 H new ATOM 0 HB VAL A 112 12.139 8.865 0.314 1.00 0.00 H new ATOM 0 HG11 VAL A 112 12.502 9.309 2.777 1.00 0.00 H new ATOM 0 HG12 VAL A 112 13.687 10.184 1.778 1.00 0.00 H new ATOM 0 HG13 VAL A 112 12.296 11.050 2.473 1.00 0.00 H new ATOM 0 HG21 VAL A 112 10.264 8.849 1.973 1.00 0.00 H new ATOM 0 HG22 VAL A 112 10.008 10.586 1.681 1.00 0.00 H new ATOM 0 HG23 VAL A 112 9.720 9.412 0.375 1.00 0.00 H new ATOM 1726 N PRO A 113 13.816 12.103 -1.476 1.00 0.00 N ATOM 1727 CA PRO A 113 15.112 12.231 -2.156 1.00 0.00 C ATOM 1728 C PRO A 113 16.324 12.208 -1.205 1.00 0.00 C ATOM 1729 O PRO A 113 17.468 12.204 -1.662 1.00 0.00 O ATOM 1730 CB PRO A 113 15.023 13.545 -2.944 1.00 0.00 C ATOM 1731 CG PRO A 113 14.056 14.385 -2.114 1.00 0.00 C ATOM 1732 CD PRO A 113 13.058 13.339 -1.626 1.00 0.00 C ATOM 0 HA PRO A 113 15.287 11.371 -2.802 1.00 0.00 H new ATOM 0 HB2 PRO A 113 15.997 14.026 -3.036 1.00 0.00 H new ATOM 0 HB3 PRO A 113 14.650 13.383 -3.955 1.00 0.00 H new ATOM 0 HG2 PRO A 113 14.559 14.886 -1.286 1.00 0.00 H new ATOM 0 HG3 PRO A 113 13.575 15.160 -2.710 1.00 0.00 H new ATOM 0 HD2 PRO A 113 12.609 13.639 -0.679 1.00 0.00 H new ATOM 0 HD3 PRO A 113 12.243 13.214 -2.339 1.00 0.00 H new ATOM 1740 N ASN A 114 16.094 12.172 0.114 1.00 0.00 N ATOM 1741 CA ASN A 114 17.152 12.090 1.126 1.00 0.00 C ATOM 1742 C ASN A 114 17.888 10.729 1.141 1.00 0.00 C ATOM 1743 O ASN A 114 19.042 10.678 1.568 1.00 0.00 O ATOM 1744 CB ASN A 114 16.526 12.421 2.492 1.00 0.00 C ATOM 1745 CG ASN A 114 17.579 12.718 3.549 1.00 0.00 C ATOM 1746 OD1 ASN A 114 18.208 13.768 3.547 1.00 0.00 O ATOM 1747 ND2 ASN A 114 17.810 11.825 4.482 1.00 0.00 N ATOM 0 H ASN A 114 15.155 12.199 0.512 1.00 0.00 H new ATOM 0 HA ASN A 114 17.929 12.814 0.879 1.00 0.00 H new ATOM 0 HB2 ASN A 114 15.865 13.281 2.388 1.00 0.00 H new ATOM 0 HB3 ASN A 114 15.910 11.584 2.820 1.00 0.00 H new ATOM 0 HD21 ASN A 114 18.511 12.008 5.200 1.00 0.00 H new ATOM 0 HD22 ASN A 114 17.289 10.948 4.489 1.00 0.00 H new ATOM 1754 N LEU A 115 17.239 9.652 0.661 1.00 0.00 N ATOM 1755 CA LEU A 115 17.653 8.230 0.687 1.00 0.00 C ATOM 1756 C LEU A 115 17.893 7.626 2.088 1.00 0.00 C ATOM 1757 O LEU A 115 17.329 6.575 2.399 1.00 0.00 O ATOM 1758 CB LEU A 115 18.845 7.981 -0.262 1.00 0.00 C ATOM 1759 CG LEU A 115 18.491 8.032 -1.760 1.00 0.00 C ATOM 1760 CD1 LEU A 115 19.772 8.099 -2.595 1.00 0.00 C ATOM 1761 CD2 LEU A 115 17.718 6.783 -2.200 1.00 0.00 C ATOM 0 H LEU A 115 16.333 9.760 0.205 1.00 0.00 H new ATOM 0 HA LEU A 115 16.785 7.684 0.319 1.00 0.00 H new ATOM 0 HB2 LEU A 115 19.616 8.724 -0.059 1.00 0.00 H new ATOM 0 HB3 LEU A 115 19.275 7.005 -0.036 1.00 0.00 H new ATOM 0 HG LEU A 115 17.872 8.916 -1.914 1.00 0.00 H new ATOM 0 HD11 LEU A 115 19.515 8.135 -3.654 1.00 0.00 H new ATOM 0 HD12 LEU A 115 20.334 8.994 -2.328 1.00 0.00 H new ATOM 0 HD13 LEU A 115 20.381 7.216 -2.399 1.00 0.00 H new ATOM 0 HD21 LEU A 115 17.486 6.854 -3.263 1.00 0.00 H new ATOM 0 HD22 LEU A 115 18.326 5.897 -2.020 1.00 0.00 H new ATOM 0 HD23 LEU A 115 16.792 6.709 -1.630 1.00 0.00 H new ATOM 1773 N ASN A 116 18.682 8.285 2.943 1.00 0.00 N ATOM 1774 CA ASN A 116 18.786 8.003 4.382 1.00 0.00 C ATOM 1775 C ASN A 116 17.496 8.415 5.118 1.00 0.00 C ATOM 1776 O ASN A 116 16.726 9.250 4.590 1.00 0.00 O ATOM 1777 CB ASN A 116 20.052 8.707 4.934 1.00 0.00 C ATOM 1778 CG ASN A 116 20.629 8.101 6.210 1.00 0.00 C ATOM 1779 OD1 ASN A 116 21.825 7.868 6.324 1.00 0.00 O ATOM 1780 ND2 ASN A 116 19.823 7.837 7.212 1.00 0.00 N ATOM 1781 OXT ASN A 116 17.228 7.884 6.216 1.00 0.00 O ATOM 0 H ASN A 116 19.285 9.052 2.646 1.00 0.00 H new ATOM 0 HA ASN A 116 18.893 6.932 4.552 1.00 0.00 H new ATOM 0 HB2 ASN A 116 20.822 8.691 4.163 1.00 0.00 H new ATOM 0 HB3 ASN A 116 19.813 9.753 5.124 1.00 0.00 H new ATOM 0 HD21 ASN A 116 20.195 7.441 8.075 1.00 0.00 H new ATOM 0 HD22 ASN A 116 18.825 8.027 7.127 1.00 0.00 H new TER 1788 ASN A 116