USER MOD reduce.3.24.130724 H: found=0, std=0, add=842, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 842 hydrogens (6 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 NoAdj-H: A 1 PCA H1 : A 1 PCA N : cyclic :(NH2R) USER MOD NoAdj-H: A 1 PCA H3 : A 1 PCA N : cyclic :(NH2R) USER MOD Set 1.1: A 84 ASN : amide:sc= -4.43! C(o=-3.1!,f=-6.6!) USER MOD Set 1.2: A 85 THR OG1 : rot -68:sc= 1.36 USER MOD Set 2.1: A 35 THR OG1 : rot 180:sc= -0.301 USER MOD Set 2.2: A 67 GLN : amide:sc= -0.0605 K(o=-0.36,f=-2.1!) USER MOD Set 3.1: A 5 THR OG1 : rot 163:sc= 0.0128 USER MOD Set 3.2: A 9 LYS NZ :NH3+ 152:sc= -4.39! (180deg=-6.24!) USER MOD Set 3.3: A 10 HIS : no HE2:sc= -0.0944 X(o=-4.5,f=-4.9) USER MOD Single : A 1 PCA N :NH3+ 180:sc= -0.182 (180deg=-0.182) USER MOD Single : A 7 GLN : amide:sc= -4.82! C(o=-4.8!,f=-5.3!) USER MOD Single : A 8 LYS NZ :NH3+ -159:sc= -0.117 (180deg=-0.876) USER MOD Single : A 12 THR OG1 : rot 110:sc= -2.58! USER MOD Single : A 14 THR OG1 : rot 180:sc= -0.0296 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 MET CE :methyl -163:sc= -7.25 (180deg=-9.79!) USER MOD Single : A 25 LYS NZ :NH3+ 129:sc= -1.67 (180deg=-4.31!) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 ASN : amide:sc= -12.6! C(o=-13!,f=-17!) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ -159:sc= -0.283 (180deg=-1.04) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 ASN : amide:sc= -0.775 K(o=-0.78,f=-0.092) USER MOD Single : A 54 ASN : amide:sc= -7.89! C(o=-7.9!,f=-2.4!) USER MOD Single : A 55 THR OG1 : rot 180:sc= -0.105 USER MOD Single : A 59 SER OG : rot 180:sc= 0.0367 USER MOD Single : A 72 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0666) USER MOD Single : A 76 HIS : no HD1:sc=-0.00899 X(o=-0.009,f=-0.13) USER MOD Single : A 77 TYR OH : rot -94:sc= -0.211! USER MOD Single : A 78 LYS NZ :NH3+ -179:sc= -4.07 (180deg=-4.17!) USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 81 SER OG : rot -150:sc= -0.0764 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 83 THR OG1 : rot 180:sc= 0.0447 USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 ASN : amide:sc= -0.0403 K(o=-0.04,f=-1.4!) USER MOD Single : A 93 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 97 HIS : no HD1:sc= -0.109 X(o=-0.11,f=-0.36) USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- HETATM 1 N PCA A 1 -6.637 9.897 1.714 1.00 1.00 N HETATM 2 CA PCA A 1 -7.339 11.170 1.524 1.00 1.00 C HETATM 3 CB PCA A 1 -6.507 12.195 2.216 1.00 1.00 C HETATM 4 CG PCA A 1 -5.338 11.490 2.499 1.00 1.00 C HETATM 5 CD PCA A 1 -5.460 10.060 2.441 1.00 1.00 C HETATM 6 OE PCA A 1 -4.738 9.107 2.901 1.00 1.00 O HETATM 7 C PCA A 1 -7.493 11.494 0.047 1.00 1.00 C HETATM 8 O PCA A 1 -8.117 12.472 -0.314 1.00 1.00 O HETATM 0 H2 PCA A 1 -6.545 9.700 2.731 1.00 1.00 H new HETATM 0 HA PCA A 1 -8.349 11.135 1.932 1.00 1.00 H new HETATM 0 HB2 PCA A 1 -6.316 13.060 1.581 1.00 1.00 H new HETATM 0 HB3 PCA A 1 -6.988 12.565 3.122 1.00 1.00 H new HETATM 0 HG2 PCA A 1 -4.565 11.802 1.797 1.00 1.00 H new HETATM 0 HG3 PCA A 1 -4.995 11.770 3.495 1.00 1.00 H new ATOM 15 N ASP A 2 -6.935 10.683 -0.808 1.00 1.00 N ATOM 16 CA ASP A 2 -7.049 10.940 -2.271 1.00 1.00 C ATOM 17 C ASP A 2 -6.517 9.718 -3.025 1.00 1.00 C ATOM 18 O ASP A 2 -5.422 9.253 -2.780 1.00 1.00 O ATOM 19 CB ASP A 2 -6.229 12.184 -2.641 1.00 1.00 C ATOM 20 CG ASP A 2 -7.129 13.422 -2.617 1.00 1.00 C ATOM 21 OD1 ASP A 2 -8.096 13.442 -3.361 1.00 1.00 O ATOM 22 OD2 ASP A 2 -6.835 14.330 -1.856 1.00 1.00 O ATOM 0 H ASP A 2 -6.403 9.850 -0.556 1.00 1.00 H new ATOM 0 HA ASP A 2 -8.090 11.114 -2.541 1.00 1.00 H new ATOM 0 HB2 ASP A 2 -5.404 12.309 -1.940 1.00 1.00 H new ATOM 0 HB3 ASP A 2 -5.790 12.061 -3.631 1.00 1.00 H new ATOM 27 N TRP A 3 -7.290 9.187 -3.930 1.00 1.00 N ATOM 28 CA TRP A 3 -6.834 7.987 -4.688 1.00 1.00 C ATOM 29 C TRP A 3 -5.469 8.274 -5.318 1.00 1.00 C ATOM 30 O TRP A 3 -4.665 7.384 -5.510 1.00 1.00 O ATOM 31 CB TRP A 3 -7.881 7.650 -5.759 1.00 1.00 C ATOM 32 CG TRP A 3 -7.285 6.831 -6.866 1.00 1.00 C ATOM 33 CD1 TRP A 3 -7.440 7.102 -8.181 1.00 1.00 C ATOM 34 CD2 TRP A 3 -6.470 5.620 -6.791 1.00 1.00 C ATOM 35 NE1 TRP A 3 -6.763 6.149 -8.919 1.00 1.00 N ATOM 36 CE2 TRP A 3 -6.151 5.215 -8.111 1.00 1.00 C ATOM 37 CE3 TRP A 3 -5.976 4.844 -5.726 1.00 1.00 C ATOM 38 CZ2 TRP A 3 -5.373 4.084 -8.362 1.00 1.00 C ATOM 39 CZ3 TRP A 3 -5.193 3.705 -5.978 1.00 1.00 C ATOM 40 CH2 TRP A 3 -4.893 3.327 -7.293 1.00 1.00 C ATOM 0 H TRP A 3 -8.218 9.531 -4.178 1.00 1.00 H new ATOM 0 HA TRP A 3 -6.728 7.131 -4.022 1.00 1.00 H new ATOM 0 HB2 TRP A 3 -8.707 7.104 -5.304 1.00 1.00 H new ATOM 0 HB3 TRP A 3 -8.295 8.571 -6.168 1.00 1.00 H new ATOM 0 HD1 TRP A 3 -8.002 7.929 -8.589 1.00 1.00 H new ATOM 0 HE1 TRP A 3 -6.721 6.138 -9.938 1.00 1.00 H new ATOM 0 HE3 TRP A 3 -6.200 5.126 -4.708 1.00 1.00 H new ATOM 0 HZ2 TRP A 3 -5.144 3.797 -9.378 1.00 1.00 H new ATOM 0 HZ3 TRP A 3 -4.820 3.117 -5.152 1.00 1.00 H new ATOM 0 HH2 TRP A 3 -4.291 2.450 -7.479 1.00 1.00 H new ATOM 51 N GLU A 4 -5.190 9.510 -5.626 1.00 1.00 N ATOM 52 CA GLU A 4 -3.869 9.843 -6.227 1.00 1.00 C ATOM 53 C GLU A 4 -2.761 9.524 -5.219 1.00 1.00 C ATOM 54 O GLU A 4 -2.106 8.508 -5.308 1.00 1.00 O ATOM 55 CB GLU A 4 -3.827 11.331 -6.582 1.00 1.00 C ATOM 56 CG GLU A 4 -4.786 11.608 -7.741 1.00 1.00 C ATOM 57 CD GLU A 4 -6.224 11.362 -7.284 1.00 1.00 C ATOM 58 OE1 GLU A 4 -6.604 11.912 -6.263 1.00 1.00 O ATOM 59 OE2 GLU A 4 -6.923 10.627 -7.963 1.00 1.00 O ATOM 0 H GLU A 4 -5.818 10.302 -5.488 1.00 1.00 H new ATOM 0 HA GLU A 4 -3.720 9.254 -7.132 1.00 1.00 H new ATOM 0 HB2 GLU A 4 -4.105 11.930 -5.715 1.00 1.00 H new ATOM 0 HB3 GLU A 4 -2.813 11.621 -6.858 1.00 1.00 H new ATOM 0 HG2 GLU A 4 -4.673 12.637 -8.082 1.00 1.00 H new ATOM 0 HG3 GLU A 4 -4.547 10.963 -8.587 1.00 1.00 H new ATOM 66 N THR A 5 -2.547 10.382 -4.258 1.00 1.00 N ATOM 67 CA THR A 5 -1.482 10.117 -3.249 1.00 1.00 C ATOM 68 C THR A 5 -1.615 8.690 -2.731 1.00 1.00 C ATOM 69 O THR A 5 -0.660 7.940 -2.697 1.00 1.00 O ATOM 70 CB THR A 5 -1.622 11.096 -2.085 1.00 1.00 C ATOM 71 OG1 THR A 5 -0.622 10.821 -1.115 1.00 1.00 O ATOM 72 CG2 THR A 5 -3.008 10.954 -1.450 1.00 1.00 C ATOM 0 H THR A 5 -3.062 11.253 -4.128 1.00 1.00 H new ATOM 0 HA THR A 5 -0.505 10.246 -3.714 1.00 1.00 H new ATOM 0 HB THR A 5 -1.502 12.115 -2.454 1.00 1.00 H new ATOM 0 HG1 THR A 5 -0.528 11.590 -0.515 1.00 1.00 H new ATOM 0 HG21 THR A 5 -3.102 11.655 -0.620 1.00 1.00 H new ATOM 0 HG22 THR A 5 -3.774 11.170 -2.195 1.00 1.00 H new ATOM 0 HG23 THR A 5 -3.137 9.936 -1.081 1.00 1.00 H new ATOM 80 N PHE A 6 -2.794 8.300 -2.334 1.00 1.00 N ATOM 81 CA PHE A 6 -2.976 6.914 -1.829 1.00 1.00 C ATOM 82 C PHE A 6 -2.392 5.946 -2.856 1.00 1.00 C ATOM 83 O PHE A 6 -1.995 4.846 -2.537 1.00 1.00 O ATOM 84 CB PHE A 6 -4.467 6.629 -1.634 1.00 1.00 C ATOM 85 CG PHE A 6 -4.673 5.161 -1.335 1.00 1.00 C ATOM 86 CD1 PHE A 6 -4.639 4.225 -2.375 1.00 1.00 C ATOM 87 CD2 PHE A 6 -4.905 4.737 -0.021 1.00 1.00 C ATOM 88 CE1 PHE A 6 -4.835 2.866 -2.103 1.00 1.00 C ATOM 89 CE2 PHE A 6 -5.102 3.378 0.251 1.00 1.00 C ATOM 90 CZ PHE A 6 -5.066 2.443 -0.789 1.00 1.00 C ATOM 0 H PHE A 6 -3.634 8.878 -2.338 1.00 1.00 H new ATOM 0 HA PHE A 6 -2.468 6.792 -0.872 1.00 1.00 H new ATOM 0 HB2 PHE A 6 -4.858 7.234 -0.817 1.00 1.00 H new ATOM 0 HB3 PHE A 6 -5.020 6.908 -2.531 1.00 1.00 H new ATOM 0 HD1 PHE A 6 -4.461 4.552 -3.389 1.00 1.00 H new ATOM 0 HD2 PHE A 6 -4.932 5.458 0.782 1.00 1.00 H new ATOM 0 HE1 PHE A 6 -4.808 2.145 -2.906 1.00 1.00 H new ATOM 0 HE2 PHE A 6 -5.282 3.051 1.264 1.00 1.00 H new ATOM 0 HZ PHE A 6 -5.216 1.395 -0.578 1.00 1.00 H new ATOM 100 N GLN A 7 -2.334 6.353 -4.092 1.00 1.00 N ATOM 101 CA GLN A 7 -1.771 5.462 -5.142 1.00 1.00 C ATOM 102 C GLN A 7 -0.265 5.705 -5.258 1.00 1.00 C ATOM 103 O GLN A 7 0.462 4.895 -5.798 1.00 1.00 O ATOM 104 CB GLN A 7 -2.442 5.764 -6.487 1.00 1.00 C ATOM 105 CG GLN A 7 -1.880 4.837 -7.570 1.00 1.00 C ATOM 106 CD GLN A 7 -0.574 5.418 -8.120 1.00 1.00 C ATOM 107 OE1 GLN A 7 0.425 4.732 -8.195 1.00 1.00 O ATOM 108 NE2 GLN A 7 -0.541 6.663 -8.511 1.00 1.00 N ATOM 0 H GLN A 7 -2.652 7.265 -4.421 1.00 1.00 H new ATOM 0 HA GLN A 7 -1.954 4.422 -4.873 1.00 1.00 H new ATOM 0 HB2 GLN A 7 -3.520 5.629 -6.404 1.00 1.00 H new ATOM 0 HB3 GLN A 7 -2.272 6.805 -6.763 1.00 1.00 H new ATOM 0 HG2 GLN A 7 -1.702 3.844 -7.156 1.00 1.00 H new ATOM 0 HG3 GLN A 7 -2.605 4.721 -8.375 1.00 1.00 H new ATOM 0 HE21 GLN A 7 -1.380 7.240 -8.448 1.00 1.00 H new ATOM 0 HE22 GLN A 7 0.324 7.059 -8.879 1.00 1.00 H new ATOM 117 N LYS A 8 0.212 6.823 -4.774 1.00 1.00 N ATOM 118 CA LYS A 8 1.671 7.115 -4.885 1.00 1.00 C ATOM 119 C LYS A 8 2.444 6.589 -3.667 1.00 1.00 C ATOM 120 O LYS A 8 3.475 5.962 -3.809 1.00 1.00 O ATOM 121 CB LYS A 8 1.870 8.629 -4.995 1.00 1.00 C ATOM 122 CG LYS A 8 0.942 9.189 -6.080 1.00 1.00 C ATOM 123 CD LYS A 8 1.498 10.518 -6.597 1.00 1.00 C ATOM 124 CE LYS A 8 0.541 11.103 -7.638 1.00 1.00 C ATOM 125 NZ LYS A 8 0.226 10.066 -8.661 1.00 1.00 N ATOM 0 H LYS A 8 -0.343 7.542 -4.309 1.00 1.00 H new ATOM 0 HA LYS A 8 2.055 6.612 -5.773 1.00 1.00 H new ATOM 0 HB2 LYS A 8 1.657 9.105 -4.038 1.00 1.00 H new ATOM 0 HB3 LYS A 8 2.909 8.853 -5.238 1.00 1.00 H new ATOM 0 HG2 LYS A 8 0.854 8.477 -6.900 1.00 1.00 H new ATOM 0 HG3 LYS A 8 -0.060 9.335 -5.676 1.00 1.00 H new ATOM 0 HD2 LYS A 8 1.624 11.217 -5.771 1.00 1.00 H new ATOM 0 HD3 LYS A 8 2.483 10.365 -7.039 1.00 1.00 H new ATOM 0 HE2 LYS A 8 -0.375 11.443 -7.155 1.00 1.00 H new ATOM 0 HE3 LYS A 8 0.992 11.974 -8.114 1.00 1.00 H new ATOM 0 HZ1 LYS A 8 -0.112 10.527 -9.530 1.00 1.00 H new ATOM 0 HZ2 LYS A 8 1.082 9.515 -8.872 1.00 1.00 H new ATOM 0 HZ3 LYS A 8 -0.513 9.431 -8.296 1.00 1.00 H new ATOM 139 N LYS A 9 1.987 6.865 -2.473 1.00 1.00 N ATOM 140 CA LYS A 9 2.743 6.403 -1.267 1.00 1.00 C ATOM 141 C LYS A 9 2.291 5.010 -0.805 1.00 1.00 C ATOM 142 O LYS A 9 3.107 4.181 -0.457 1.00 1.00 O ATOM 143 CB LYS A 9 2.544 7.407 -0.125 1.00 1.00 C ATOM 144 CG LYS A 9 1.075 7.839 -0.051 1.00 1.00 C ATOM 145 CD LYS A 9 0.763 8.355 1.359 1.00 1.00 C ATOM 146 CE LYS A 9 -0.535 9.167 1.336 1.00 1.00 C ATOM 147 NZ LYS A 9 -1.446 8.622 0.290 1.00 1.00 N ATOM 0 H LYS A 9 1.131 7.385 -2.280 1.00 1.00 H new ATOM 0 HA LYS A 9 3.797 6.339 -1.539 1.00 1.00 H new ATOM 0 HB2 LYS A 9 2.847 6.958 0.821 1.00 1.00 H new ATOM 0 HB3 LYS A 9 3.180 8.278 -0.282 1.00 1.00 H new ATOM 0 HG2 LYS A 9 0.877 8.618 -0.787 1.00 1.00 H new ATOM 0 HG3 LYS A 9 0.425 6.998 -0.294 1.00 1.00 H new ATOM 0 HD2 LYS A 9 0.667 7.518 2.050 1.00 1.00 H new ATOM 0 HD3 LYS A 9 1.584 8.974 1.720 1.00 1.00 H new ATOM 0 HE2 LYS A 9 -1.019 9.126 2.312 1.00 1.00 H new ATOM 0 HE3 LYS A 9 -0.317 10.215 1.132 1.00 1.00 H new ATOM 0 HZ1 LYS A 9 -2.433 8.809 0.558 1.00 1.00 H new ATOM 0 HZ2 LYS A 9 -1.242 9.080 -0.621 1.00 1.00 H new ATOM 0 HZ3 LYS A 9 -1.299 7.596 0.202 1.00 1.00 H new ATOM 161 N HIS A 10 1.015 4.741 -0.761 1.00 1.00 N ATOM 162 CA HIS A 10 0.562 3.399 -0.278 1.00 1.00 C ATOM 163 C HIS A 10 0.689 2.346 -1.377 1.00 1.00 C ATOM 164 O HIS A 10 0.545 1.176 -1.114 1.00 1.00 O ATOM 165 CB HIS A 10 -0.894 3.477 0.185 1.00 1.00 C ATOM 166 CG HIS A 10 -0.975 4.289 1.449 1.00 1.00 C ATOM 167 ND1 HIS A 10 -0.134 4.061 2.529 1.00 1.00 N ATOM 168 CD2 HIS A 10 -1.790 5.330 1.820 1.00 1.00 C ATOM 169 CE1 HIS A 10 -0.458 4.946 3.489 1.00 1.00 C ATOM 170 NE2 HIS A 10 -1.459 5.741 3.107 1.00 1.00 N ATOM 0 H HIS A 10 0.271 5.383 -1.035 1.00 1.00 H new ATOM 0 HA HIS A 10 1.200 3.108 0.556 1.00 1.00 H new ATOM 0 HB2 HIS A 10 -1.510 3.931 -0.591 1.00 1.00 H new ATOM 0 HB3 HIS A 10 -1.286 2.475 0.358 1.00 1.00 H new ATOM 0 HD1 HIS A 10 0.597 3.352 2.585 1.00 1.00 H new ATOM 0 HD2 HIS A 10 -2.567 5.763 1.208 1.00 1.00 H new ATOM 0 HE1 HIS A 10 0.032 5.006 4.450 1.00 1.00 H new ATOM 179 N LEU A 11 0.952 2.732 -2.598 1.00 1.00 N ATOM 180 CA LEU A 11 1.077 1.713 -3.690 1.00 1.00 C ATOM 181 C LEU A 11 2.427 1.860 -4.391 1.00 1.00 C ATOM 182 O LEU A 11 3.005 2.929 -4.433 1.00 1.00 O ATOM 183 CB LEU A 11 -0.042 1.928 -4.720 1.00 1.00 C ATOM 184 CG LEU A 11 -1.206 0.969 -4.449 1.00 1.00 C ATOM 185 CD1 LEU A 11 -1.874 1.327 -3.120 1.00 1.00 C ATOM 186 CD2 LEU A 11 -2.228 1.089 -5.578 1.00 1.00 C ATOM 0 H LEU A 11 1.085 3.701 -2.888 1.00 1.00 H new ATOM 0 HA LEU A 11 0.999 0.717 -3.254 1.00 1.00 H new ATOM 0 HB2 LEU A 11 -0.393 2.959 -4.675 1.00 1.00 H new ATOM 0 HB3 LEU A 11 0.345 1.766 -5.726 1.00 1.00 H new ATOM 0 HG LEU A 11 -0.829 -0.053 -4.398 1.00 1.00 H new ATOM 0 HD11 LEU A 11 -2.701 0.642 -2.932 1.00 1.00 H new ATOM 0 HD12 LEU A 11 -1.146 1.246 -2.313 1.00 1.00 H new ATOM 0 HD13 LEU A 11 -2.252 2.348 -3.166 1.00 1.00 H new ATOM 0 HD21 LEU A 11 -3.059 0.409 -5.391 1.00 1.00 H new ATOM 0 HD22 LEU A 11 -2.600 2.112 -5.624 1.00 1.00 H new ATOM 0 HD23 LEU A 11 -1.755 0.832 -6.526 1.00 1.00 H new ATOM 198 N THR A 12 2.923 0.791 -4.957 1.00 1.00 N ATOM 199 CA THR A 12 4.227 0.860 -5.681 1.00 1.00 C ATOM 200 C THR A 12 4.117 0.071 -6.987 1.00 1.00 C ATOM 201 O THR A 12 3.035 -0.283 -7.412 1.00 1.00 O ATOM 202 CB THR A 12 5.345 0.275 -4.813 1.00 1.00 C ATOM 203 OG1 THR A 12 6.523 0.154 -5.597 1.00 1.00 O ATOM 204 CG2 THR A 12 4.943 -1.107 -4.280 1.00 1.00 C ATOM 0 H THR A 12 2.481 -0.128 -4.949 1.00 1.00 H new ATOM 0 HA THR A 12 4.464 1.901 -5.899 1.00 1.00 H new ATOM 0 HB THR A 12 5.523 0.938 -3.966 1.00 1.00 H new ATOM 0 HG1 THR A 12 7.185 0.810 -5.296 1.00 1.00 H new ATOM 0 HG21 THR A 12 5.749 -1.508 -3.665 1.00 1.00 H new ATOM 0 HG22 THR A 12 4.038 -1.016 -3.679 1.00 1.00 H new ATOM 0 HG23 THR A 12 4.756 -1.780 -5.117 1.00 1.00 H new ATOM 212 N ASP A 13 5.221 -0.190 -7.640 1.00 1.00 N ATOM 213 CA ASP A 13 5.167 -0.937 -8.935 1.00 1.00 C ATOM 214 C ASP A 13 5.972 -2.238 -8.849 1.00 1.00 C ATOM 215 O ASP A 13 6.331 -2.811 -9.859 1.00 1.00 O ATOM 216 CB ASP A 13 5.750 -0.060 -10.043 1.00 1.00 C ATOM 217 CG ASP A 13 5.516 -0.728 -11.400 1.00 1.00 C ATOM 218 OD1 ASP A 13 4.375 -0.774 -11.826 1.00 1.00 O ATOM 219 OD2 ASP A 13 6.483 -1.184 -11.988 1.00 1.00 O ATOM 0 H ASP A 13 6.156 0.081 -7.334 1.00 1.00 H new ATOM 0 HA ASP A 13 4.128 -1.184 -9.152 1.00 1.00 H new ATOM 0 HB2 ASP A 13 5.283 0.925 -10.025 1.00 1.00 H new ATOM 0 HB3 ASP A 13 6.817 0.090 -9.879 1.00 1.00 H new ATOM 224 N THR A 14 6.266 -2.721 -7.671 1.00 1.00 N ATOM 225 CA THR A 14 7.049 -3.988 -7.583 1.00 1.00 C ATOM 226 C THR A 14 6.874 -4.625 -6.204 1.00 1.00 C ATOM 227 O THR A 14 6.594 -3.956 -5.228 1.00 1.00 O ATOM 228 CB THR A 14 8.529 -3.686 -7.817 1.00 1.00 C ATOM 229 OG1 THR A 14 9.269 -4.899 -7.789 1.00 1.00 O ATOM 230 CG2 THR A 14 9.037 -2.750 -6.722 1.00 1.00 C ATOM 0 H THR A 14 6.003 -2.301 -6.779 1.00 1.00 H new ATOM 0 HA THR A 14 6.687 -4.681 -8.342 1.00 1.00 H new ATOM 0 HB THR A 14 8.655 -3.207 -8.788 1.00 1.00 H new ATOM 0 HG1 THR A 14 10.218 -4.707 -7.941 1.00 1.00 H new ATOM 0 HG21 THR A 14 10.092 -2.534 -6.888 1.00 1.00 H new ATOM 0 HG22 THR A 14 8.469 -1.820 -6.745 1.00 1.00 H new ATOM 0 HG23 THR A 14 8.913 -3.227 -5.750 1.00 1.00 H new ATOM 238 N LYS A 15 7.050 -5.917 -6.115 1.00 1.00 N ATOM 239 CA LYS A 15 6.908 -6.603 -4.802 1.00 1.00 C ATOM 240 C LYS A 15 8.154 -6.320 -3.961 1.00 1.00 C ATOM 241 O LYS A 15 8.155 -6.487 -2.758 1.00 1.00 O ATOM 242 CB LYS A 15 6.772 -8.111 -5.023 1.00 1.00 C ATOM 243 CG LYS A 15 7.782 -8.568 -6.080 1.00 1.00 C ATOM 244 CD LYS A 15 7.946 -10.088 -6.011 1.00 1.00 C ATOM 245 CE LYS A 15 6.624 -10.763 -6.382 1.00 1.00 C ATOM 246 NZ LYS A 15 6.865 -12.207 -6.659 1.00 1.00 N ATOM 0 H LYS A 15 7.286 -6.526 -6.898 1.00 1.00 H new ATOM 0 HA LYS A 15 6.020 -6.236 -4.287 1.00 1.00 H new ATOM 0 HB2 LYS A 15 6.944 -8.643 -4.087 1.00 1.00 H new ATOM 0 HB3 LYS A 15 5.759 -8.352 -5.345 1.00 1.00 H new ATOM 0 HG2 LYS A 15 7.443 -8.274 -7.073 1.00 1.00 H new ATOM 0 HG3 LYS A 15 8.743 -8.081 -5.914 1.00 1.00 H new ATOM 0 HD2 LYS A 15 8.734 -10.410 -6.691 1.00 1.00 H new ATOM 0 HD3 LYS A 15 8.249 -10.386 -5.007 1.00 1.00 H new ATOM 0 HE2 LYS A 15 5.906 -10.652 -5.569 1.00 1.00 H new ATOM 0 HE3 LYS A 15 6.190 -10.281 -7.258 1.00 1.00 H new ATOM 0 HZ1 LYS A 15 5.967 -12.667 -6.911 1.00 1.00 H new ATOM 0 HZ2 LYS A 15 7.536 -12.302 -7.448 1.00 1.00 H new ATOM 0 HZ3 LYS A 15 7.261 -12.662 -5.811 1.00 1.00 H new ATOM 260 N LYS A 16 9.213 -5.889 -4.594 1.00 1.00 N ATOM 261 CA LYS A 16 10.470 -5.579 -3.852 1.00 1.00 C ATOM 262 C LYS A 16 10.818 -4.105 -4.065 1.00 1.00 C ATOM 263 O LYS A 16 11.817 -3.769 -4.668 1.00 1.00 O ATOM 264 CB LYS A 16 11.609 -6.460 -4.377 1.00 1.00 C ATOM 265 CG LYS A 16 11.684 -6.369 -5.906 1.00 1.00 C ATOM 266 CD LYS A 16 12.485 -7.553 -6.451 1.00 1.00 C ATOM 267 CE LYS A 16 12.895 -7.272 -7.898 1.00 1.00 C ATOM 268 NZ LYS A 16 13.557 -8.479 -8.470 1.00 1.00 N ATOM 0 H LYS A 16 9.261 -5.737 -5.602 1.00 1.00 H new ATOM 0 HA LYS A 16 10.331 -5.776 -2.789 1.00 1.00 H new ATOM 0 HB2 LYS A 16 12.556 -6.143 -3.939 1.00 1.00 H new ATOM 0 HB3 LYS A 16 11.448 -7.495 -4.074 1.00 1.00 H new ATOM 0 HG2 LYS A 16 10.680 -6.370 -6.330 1.00 1.00 H new ATOM 0 HG3 LYS A 16 12.154 -5.431 -6.202 1.00 1.00 H new ATOM 0 HD2 LYS A 16 13.370 -7.720 -5.837 1.00 1.00 H new ATOM 0 HD3 LYS A 16 11.887 -8.463 -6.402 1.00 1.00 H new ATOM 0 HE2 LYS A 16 12.019 -7.009 -8.491 1.00 1.00 H new ATOM 0 HE3 LYS A 16 13.573 -6.420 -7.936 1.00 1.00 H new ATOM 0 HZ1 LYS A 16 13.836 -8.289 -9.454 1.00 1.00 H new ATOM 0 HZ2 LYS A 16 14.402 -8.710 -7.909 1.00 1.00 H new ATOM 0 HZ3 LYS A 16 12.896 -9.281 -8.447 1.00 1.00 H new ATOM 282 N VAL A 17 9.991 -3.222 -3.577 1.00 1.00 N ATOM 283 CA VAL A 17 10.259 -1.768 -3.755 1.00 1.00 C ATOM 284 C VAL A 17 11.667 -1.436 -3.300 1.00 1.00 C ATOM 285 O VAL A 17 12.340 -2.232 -2.675 1.00 1.00 O ATOM 286 CB VAL A 17 9.281 -0.953 -2.913 1.00 1.00 C ATOM 287 CG1 VAL A 17 7.860 -1.214 -3.392 1.00 1.00 C ATOM 288 CG2 VAL A 17 9.412 -1.365 -1.443 1.00 1.00 C ATOM 0 H VAL A 17 9.140 -3.446 -3.062 1.00 1.00 H new ATOM 0 HA VAL A 17 10.142 -1.525 -4.811 1.00 1.00 H new ATOM 0 HB VAL A 17 9.507 0.109 -3.014 1.00 1.00 H new ATOM 0 HG11 VAL A 17 7.161 -0.632 -2.791 1.00 1.00 H new ATOM 0 HG12 VAL A 17 7.769 -0.922 -4.438 1.00 1.00 H new ATOM 0 HG13 VAL A 17 7.631 -2.275 -3.290 1.00 1.00 H new ATOM 0 HG21 VAL A 17 8.715 -0.785 -0.839 1.00 1.00 H new ATOM 0 HG22 VAL A 17 9.184 -2.426 -1.341 1.00 1.00 H new ATOM 0 HG23 VAL A 17 10.430 -1.178 -1.102 1.00 1.00 H new ATOM 298 N LYS A 18 12.107 -0.248 -3.592 1.00 1.00 N ATOM 299 CA LYS A 18 13.462 0.168 -3.160 1.00 1.00 C ATOM 300 C LYS A 18 13.321 0.957 -1.863 1.00 1.00 C ATOM 301 O LYS A 18 13.578 2.141 -1.812 1.00 1.00 O ATOM 302 CB LYS A 18 14.111 1.040 -4.239 1.00 1.00 C ATOM 303 CG LYS A 18 13.065 1.993 -4.823 1.00 1.00 C ATOM 304 CD LYS A 18 13.748 3.000 -5.755 1.00 1.00 C ATOM 305 CE LYS A 18 14.198 2.298 -7.039 1.00 1.00 C ATOM 306 NZ LYS A 18 14.499 3.318 -8.083 1.00 1.00 N ATOM 0 H LYS A 18 11.583 0.455 -4.114 1.00 1.00 H new ATOM 0 HA LYS A 18 14.094 -0.706 -3.002 1.00 1.00 H new ATOM 0 HB2 LYS A 18 14.938 1.608 -3.814 1.00 1.00 H new ATOM 0 HB3 LYS A 18 14.527 0.412 -5.027 1.00 1.00 H new ATOM 0 HG2 LYS A 18 12.311 1.429 -5.371 1.00 1.00 H new ATOM 0 HG3 LYS A 18 12.549 2.518 -4.020 1.00 1.00 H new ATOM 0 HD2 LYS A 18 13.060 3.811 -5.995 1.00 1.00 H new ATOM 0 HD3 LYS A 18 14.607 3.448 -5.255 1.00 1.00 H new ATOM 0 HE2 LYS A 18 15.082 1.690 -6.844 1.00 1.00 H new ATOM 0 HE3 LYS A 18 13.418 1.622 -7.390 1.00 1.00 H new ATOM 0 HZ1 LYS A 18 14.805 2.842 -8.956 1.00 1.00 H new ATOM 0 HZ2 LYS A 18 13.645 3.880 -8.276 1.00 1.00 H new ATOM 0 HZ3 LYS A 18 15.257 3.945 -7.747 1.00 1.00 H new ATOM 320 N CYS A 19 12.883 0.300 -0.826 1.00 1.00 N ATOM 321 CA CYS A 19 12.679 0.971 0.490 1.00 1.00 C ATOM 322 C CYS A 19 13.682 2.115 0.692 1.00 1.00 C ATOM 323 O CYS A 19 13.323 3.202 1.111 1.00 1.00 O ATOM 324 CB CYS A 19 12.870 -0.059 1.601 1.00 1.00 C ATOM 325 SG CYS A 19 11.473 -1.208 1.598 1.00 1.00 S ATOM 0 H CYS A 19 12.653 -0.694 -0.835 1.00 1.00 H new ATOM 0 HA CYS A 19 11.672 1.388 0.516 1.00 1.00 H new ATOM 0 HB2 CYS A 19 13.803 -0.603 1.452 1.00 1.00 H new ATOM 0 HB3 CYS A 19 12.943 0.440 2.567 1.00 1.00 H new ATOM 330 N ASP A 20 14.935 1.877 0.405 1.00 1.00 N ATOM 331 CA ASP A 20 15.967 2.938 0.592 1.00 1.00 C ATOM 332 C ASP A 20 15.447 4.266 0.047 1.00 1.00 C ATOM 333 O ASP A 20 15.636 5.307 0.639 1.00 1.00 O ATOM 334 CB ASP A 20 17.244 2.541 -0.153 1.00 1.00 C ATOM 335 CG ASP A 20 18.235 3.707 -0.133 1.00 1.00 C ATOM 336 OD1 ASP A 20 19.010 3.784 0.806 1.00 1.00 O ATOM 337 OD2 ASP A 20 18.201 4.502 -1.057 1.00 1.00 O ATOM 0 H ASP A 20 15.289 0.990 0.048 1.00 1.00 H new ATOM 0 HA ASP A 20 16.184 3.048 1.654 1.00 1.00 H new ATOM 0 HB2 ASP A 20 17.691 1.663 0.313 1.00 1.00 H new ATOM 0 HB3 ASP A 20 17.007 2.270 -1.182 1.00 1.00 H new ATOM 342 N VAL A 21 14.783 4.234 -1.071 1.00 1.00 N ATOM 343 CA VAL A 21 14.236 5.488 -1.659 1.00 1.00 C ATOM 344 C VAL A 21 12.736 5.555 -1.383 1.00 1.00 C ATOM 345 O VAL A 21 12.191 6.611 -1.149 1.00 1.00 O ATOM 346 CB VAL A 21 14.484 5.480 -3.169 1.00 1.00 C ATOM 347 CG1 VAL A 21 14.412 6.907 -3.718 1.00 1.00 C ATOM 348 CG2 VAL A 21 15.869 4.894 -3.450 1.00 1.00 C ATOM 0 H VAL A 21 14.593 3.388 -1.608 1.00 1.00 H new ATOM 0 HA VAL A 21 14.725 6.355 -1.215 1.00 1.00 H new ATOM 0 HB VAL A 21 13.721 4.872 -3.656 1.00 1.00 H new ATOM 0 HG11 VAL A 21 14.590 6.893 -4.793 1.00 1.00 H new ATOM 0 HG12 VAL A 21 13.425 7.324 -3.519 1.00 1.00 H new ATOM 0 HG13 VAL A 21 15.170 7.522 -3.233 1.00 1.00 H new ATOM 0 HG21 VAL A 21 16.050 4.886 -4.525 1.00 1.00 H new ATOM 0 HG22 VAL A 21 16.628 5.503 -2.959 1.00 1.00 H new ATOM 0 HG23 VAL A 21 15.917 3.875 -3.067 1.00 1.00 H new ATOM 358 N GLU A 22 12.069 4.433 -1.387 1.00 1.00 N ATOM 359 CA GLU A 22 10.606 4.435 -1.109 1.00 1.00 C ATOM 360 C GLU A 22 10.355 5.168 0.212 1.00 1.00 C ATOM 361 O GLU A 22 9.230 5.420 0.594 1.00 1.00 O ATOM 362 CB GLU A 22 10.099 2.987 -1.008 1.00 1.00 C ATOM 363 CG GLU A 22 8.802 2.833 -1.807 1.00 1.00 C ATOM 364 CD GLU A 22 9.102 2.973 -3.300 1.00 1.00 C ATOM 365 OE1 GLU A 22 10.077 2.390 -3.746 1.00 1.00 O ATOM 366 OE2 GLU A 22 8.352 3.661 -3.974 1.00 1.00 O ATOM 0 H GLU A 22 12.475 3.515 -1.571 1.00 1.00 H new ATOM 0 HA GLU A 22 10.074 4.940 -1.915 1.00 1.00 H new ATOM 0 HB2 GLU A 22 10.855 2.300 -1.389 1.00 1.00 H new ATOM 0 HB3 GLU A 22 9.927 2.725 0.036 1.00 1.00 H new ATOM 0 HG2 GLU A 22 8.352 1.861 -1.605 1.00 1.00 H new ATOM 0 HG3 GLU A 22 8.080 3.589 -1.498 1.00 1.00 H new ATOM 373 N MET A 23 11.407 5.506 0.912 1.00 1.00 N ATOM 374 CA MET A 23 11.253 6.219 2.215 1.00 1.00 C ATOM 375 C MET A 23 12.255 7.374 2.298 1.00 1.00 C ATOM 376 O MET A 23 11.909 8.478 2.667 1.00 1.00 O ATOM 377 CB MET A 23 11.517 5.240 3.364 1.00 1.00 C ATOM 378 CG MET A 23 10.258 4.421 3.654 1.00 1.00 C ATOM 379 SD MET A 23 10.417 3.650 5.283 1.00 1.00 S ATOM 380 CE MET A 23 11.821 2.584 4.888 1.00 1.00 C ATOM 0 H MET A 23 12.371 5.318 0.636 1.00 1.00 H new ATOM 0 HA MET A 23 10.240 6.614 2.290 1.00 1.00 H new ATOM 0 HB2 MET A 23 12.341 4.576 3.104 1.00 1.00 H new ATOM 0 HB3 MET A 23 11.818 5.787 4.257 1.00 1.00 H new ATOM 0 HG2 MET A 23 9.377 5.062 3.626 1.00 1.00 H new ATOM 0 HG3 MET A 23 10.121 3.658 2.888 1.00 1.00 H new ATOM 0 HE1 MET A 23 11.907 1.801 5.642 1.00 1.00 H new ATOM 0 HE2 MET A 23 11.669 2.130 3.909 1.00 1.00 H new ATOM 0 HE3 MET A 23 12.736 3.177 4.874 1.00 1.00 H new ATOM 390 N ALA A 24 13.495 7.136 1.966 1.00 1.00 N ATOM 391 CA ALA A 24 14.498 8.236 2.041 1.00 1.00 C ATOM 392 C ALA A 24 14.238 9.235 0.913 1.00 1.00 C ATOM 393 O ALA A 24 14.951 10.205 0.754 1.00 1.00 O ATOM 394 CB ALA A 24 15.912 7.664 1.909 1.00 1.00 C ATOM 0 H ALA A 24 13.855 6.236 1.649 1.00 1.00 H new ATOM 0 HA ALA A 24 14.409 8.740 3.003 1.00 1.00 H new ATOM 0 HB1 ALA A 24 16.639 8.474 1.965 1.00 1.00 H new ATOM 0 HB2 ALA A 24 16.095 6.956 2.717 1.00 1.00 H new ATOM 0 HB3 ALA A 24 16.010 7.154 0.951 1.00 1.00 H new ATOM 400 N LYS A 25 13.220 9.004 0.130 1.00 1.00 N ATOM 401 CA LYS A 25 12.910 9.941 -0.986 1.00 1.00 C ATOM 402 C LYS A 25 12.608 11.332 -0.416 1.00 1.00 C ATOM 403 O LYS A 25 13.359 11.855 0.383 1.00 1.00 O ATOM 404 CB LYS A 25 11.701 9.428 -1.775 1.00 1.00 C ATOM 405 CG LYS A 25 10.559 9.072 -0.816 1.00 1.00 C ATOM 406 CD LYS A 25 9.622 8.059 -1.478 1.00 1.00 C ATOM 407 CE LYS A 25 9.222 8.545 -2.876 1.00 1.00 C ATOM 408 NZ LYS A 25 10.231 8.085 -3.871 1.00 1.00 N ATOM 0 H LYS A 25 12.590 8.207 0.215 1.00 1.00 H new ATOM 0 HA LYS A 25 13.769 10.003 -1.655 1.00 1.00 H new ATOM 0 HB2 LYS A 25 11.369 10.188 -2.482 1.00 1.00 H new ATOM 0 HB3 LYS A 25 11.983 8.552 -2.359 1.00 1.00 H new ATOM 0 HG2 LYS A 25 10.963 8.658 0.107 1.00 1.00 H new ATOM 0 HG3 LYS A 25 10.005 9.971 -0.546 1.00 1.00 H new ATOM 0 HD2 LYS A 25 10.114 7.089 -1.549 1.00 1.00 H new ATOM 0 HD3 LYS A 25 8.732 7.920 -0.864 1.00 1.00 H new ATOM 0 HE2 LYS A 25 8.236 8.160 -3.138 1.00 1.00 H new ATOM 0 HE3 LYS A 25 9.153 9.633 -2.888 1.00 1.00 H new ATOM 0 HZ1 LYS A 25 9.748 7.613 -4.662 1.00 1.00 H new ATOM 0 HZ2 LYS A 25 10.763 8.903 -4.229 1.00 1.00 H new ATOM 0 HZ3 LYS A 25 10.887 7.417 -3.417 1.00 1.00 H new ATOM 422 N ALA A 26 11.524 11.945 -0.826 1.00 1.00 N ATOM 423 CA ALA A 26 11.193 13.310 -0.311 1.00 1.00 C ATOM 424 C ALA A 26 9.833 13.313 0.401 1.00 1.00 C ATOM 425 O ALA A 26 9.603 14.097 1.300 1.00 1.00 O ATOM 426 CB ALA A 26 11.145 14.290 -1.484 1.00 1.00 C ATOM 0 H ALA A 26 10.856 11.560 -1.493 1.00 1.00 H new ATOM 0 HA ALA A 26 11.961 13.607 0.403 1.00 1.00 H new ATOM 0 HB1 ALA A 26 10.904 15.287 -1.115 1.00 1.00 H new ATOM 0 HB2 ALA A 26 12.115 14.311 -1.980 1.00 1.00 H new ATOM 0 HB3 ALA A 26 10.381 13.971 -2.193 1.00 1.00 H new ATOM 432 N LEU A 27 8.919 12.470 -0.003 1.00 1.00 N ATOM 433 CA LEU A 27 7.574 12.471 0.651 1.00 1.00 C ATOM 434 C LEU A 27 7.614 11.717 1.984 1.00 1.00 C ATOM 435 O LEU A 27 6.631 11.663 2.696 1.00 1.00 O ATOM 436 CB LEU A 27 6.543 11.824 -0.287 1.00 1.00 C ATOM 437 CG LEU A 27 6.702 10.289 -0.299 1.00 1.00 C ATOM 438 CD1 LEU A 27 5.763 9.637 0.731 1.00 1.00 C ATOM 439 CD2 LEU A 27 6.355 9.753 -1.693 1.00 1.00 C ATOM 0 H LEU A 27 9.042 11.787 -0.750 1.00 1.00 H new ATOM 0 HA LEU A 27 7.287 13.503 0.852 1.00 1.00 H new ATOM 0 HB2 LEU A 27 5.536 12.087 0.035 1.00 1.00 H new ATOM 0 HB3 LEU A 27 6.667 12.215 -1.297 1.00 1.00 H new ATOM 0 HG LEU A 27 7.734 10.046 -0.044 1.00 1.00 H new ATOM 0 HD11 LEU A 27 5.891 8.555 0.706 1.00 1.00 H new ATOM 0 HD12 LEU A 27 6.002 10.008 1.728 1.00 1.00 H new ATOM 0 HD13 LEU A 27 4.730 9.886 0.490 1.00 1.00 H new ATOM 0 HD21 LEU A 27 6.467 8.669 -1.704 1.00 1.00 H new ATOM 0 HD22 LEU A 27 5.325 10.014 -1.937 1.00 1.00 H new ATOM 0 HD23 LEU A 27 7.026 10.194 -2.430 1.00 1.00 H new ATOM 451 N PHE A 28 8.735 11.142 2.335 1.00 1.00 N ATOM 452 CA PHE A 28 8.819 10.397 3.631 1.00 1.00 C ATOM 453 C PHE A 28 9.938 10.995 4.493 1.00 1.00 C ATOM 454 O PHE A 28 9.719 11.366 5.627 1.00 1.00 O ATOM 455 CB PHE A 28 9.113 8.915 3.348 1.00 1.00 C ATOM 456 CG PHE A 28 7.818 8.131 3.266 1.00 1.00 C ATOM 457 CD1 PHE A 28 6.929 8.119 4.351 1.00 1.00 C ATOM 458 CD2 PHE A 28 7.507 7.414 2.104 1.00 1.00 C ATOM 459 CE1 PHE A 28 5.735 7.392 4.270 1.00 1.00 C ATOM 460 CE2 PHE A 28 6.313 6.687 2.024 1.00 1.00 C ATOM 461 CZ PHE A 28 5.426 6.677 3.107 1.00 1.00 C ATOM 0 H PHE A 28 9.594 11.155 1.784 1.00 1.00 H new ATOM 0 HA PHE A 28 7.872 10.481 4.165 1.00 1.00 H new ATOM 0 HB2 PHE A 28 9.665 8.818 2.413 1.00 1.00 H new ATOM 0 HB3 PHE A 28 9.745 8.505 4.136 1.00 1.00 H new ATOM 0 HD1 PHE A 28 7.165 8.671 5.249 1.00 1.00 H new ATOM 0 HD2 PHE A 28 8.190 7.422 1.267 1.00 1.00 H new ATOM 0 HE1 PHE A 28 5.051 7.383 5.106 1.00 1.00 H new ATOM 0 HE2 PHE A 28 6.076 6.134 1.127 1.00 1.00 H new ATOM 0 HZ PHE A 28 4.504 6.118 3.045 1.00 1.00 H new ATOM 471 N ASP A 29 11.129 11.092 3.956 1.00 1.00 N ATOM 472 CA ASP A 29 12.277 11.674 4.724 1.00 1.00 C ATOM 473 C ASP A 29 12.989 10.585 5.537 1.00 1.00 C ATOM 474 O ASP A 29 13.372 10.797 6.671 1.00 1.00 O ATOM 475 CB ASP A 29 11.788 12.784 5.666 1.00 1.00 C ATOM 476 CG ASP A 29 12.914 13.793 5.903 1.00 1.00 C ATOM 477 OD1 ASP A 29 14.062 13.378 5.913 1.00 1.00 O ATOM 478 OD2 ASP A 29 12.611 14.963 6.071 1.00 1.00 O ATOM 0 H ASP A 29 11.359 10.790 3.009 1.00 1.00 H new ATOM 0 HA ASP A 29 12.980 12.100 4.008 1.00 1.00 H new ATOM 0 HB2 ASP A 29 10.922 13.286 5.234 1.00 1.00 H new ATOM 0 HB3 ASP A 29 11.467 12.354 6.615 1.00 1.00 H new ATOM 483 N CYS A 30 13.191 9.429 4.961 1.00 1.00 N ATOM 484 CA CYS A 30 13.908 8.337 5.687 1.00 1.00 C ATOM 485 C CYS A 30 13.249 8.061 7.045 1.00 1.00 C ATOM 486 O CYS A 30 13.800 8.367 8.083 1.00 1.00 O ATOM 487 CB CYS A 30 15.364 8.763 5.902 1.00 1.00 C ATOM 488 SG CYS A 30 16.202 7.579 6.985 1.00 1.00 S ATOM 0 H CYS A 30 12.890 9.193 4.016 1.00 1.00 H new ATOM 0 HA CYS A 30 13.863 7.424 5.093 1.00 1.00 H new ATOM 0 HB2 CYS A 30 15.880 8.820 4.944 1.00 1.00 H new ATOM 0 HB3 CYS A 30 15.399 9.759 6.343 1.00 1.00 H new ATOM 493 N LYS A 31 12.078 7.480 7.048 1.00 1.00 N ATOM 494 CA LYS A 31 11.396 7.181 8.344 1.00 1.00 C ATOM 495 C LYS A 31 12.014 5.928 8.980 1.00 1.00 C ATOM 496 O LYS A 31 13.216 5.815 9.111 1.00 1.00 O ATOM 497 CB LYS A 31 9.904 6.933 8.101 1.00 1.00 C ATOM 498 CG LYS A 31 9.307 8.067 7.261 1.00 1.00 C ATOM 499 CD LYS A 31 9.459 9.417 7.977 1.00 1.00 C ATOM 500 CE LYS A 31 8.898 9.330 9.401 1.00 1.00 C ATOM 501 NZ LYS A 31 8.526 10.696 9.868 1.00 1.00 N ATOM 0 H LYS A 31 11.565 7.200 6.212 1.00 1.00 H new ATOM 0 HA LYS A 31 11.522 8.032 9.013 1.00 1.00 H new ATOM 0 HB2 LYS A 31 9.765 5.980 7.590 1.00 1.00 H new ATOM 0 HB3 LYS A 31 9.380 6.862 9.054 1.00 1.00 H new ATOM 0 HG2 LYS A 31 9.803 8.107 6.291 1.00 1.00 H new ATOM 0 HG3 LYS A 31 8.252 7.868 7.071 1.00 1.00 H new ATOM 0 HD2 LYS A 31 10.510 9.703 8.010 1.00 1.00 H new ATOM 0 HD3 LYS A 31 8.935 10.193 7.419 1.00 1.00 H new ATOM 0 HE2 LYS A 31 8.026 8.676 9.421 1.00 1.00 H new ATOM 0 HE3 LYS A 31 9.639 8.894 10.070 1.00 1.00 H new ATOM 0 HZ1 LYS A 31 8.145 10.641 10.834 1.00 1.00 H new ATOM 0 HZ2 LYS A 31 9.368 11.306 9.862 1.00 1.00 H new ATOM 0 HZ3 LYS A 31 7.805 11.095 9.234 1.00 1.00 H new ATOM 515 N LYS A 32 11.195 4.990 9.384 1.00 1.00 N ATOM 516 CA LYS A 32 11.723 3.746 10.023 1.00 1.00 C ATOM 517 C LYS A 32 10.881 2.542 9.588 1.00 1.00 C ATOM 518 O LYS A 32 11.380 1.443 9.450 1.00 1.00 O ATOM 519 CB LYS A 32 11.651 3.897 11.545 1.00 1.00 C ATOM 520 CG LYS A 32 10.187 3.938 11.992 1.00 1.00 C ATOM 521 CD LYS A 32 10.119 4.259 13.488 1.00 1.00 C ATOM 522 CE LYS A 32 10.738 3.112 14.294 1.00 1.00 C ATOM 523 NZ LYS A 32 10.220 3.151 15.689 1.00 1.00 N ATOM 0 H LYS A 32 10.179 5.032 9.298 1.00 1.00 H new ATOM 0 HA LYS A 32 12.757 3.588 9.715 1.00 1.00 H new ATOM 0 HB2 LYS A 32 12.165 3.066 12.027 1.00 1.00 H new ATOM 0 HB3 LYS A 32 12.161 4.809 11.854 1.00 1.00 H new ATOM 0 HG2 LYS A 32 9.643 4.691 11.422 1.00 1.00 H new ATOM 0 HG3 LYS A 32 9.708 2.980 11.793 1.00 1.00 H new ATOM 0 HD2 LYS A 32 10.650 5.188 13.694 1.00 1.00 H new ATOM 0 HD3 LYS A 32 9.083 4.410 13.790 1.00 1.00 H new ATOM 0 HE2 LYS A 32 10.495 2.155 13.831 1.00 1.00 H new ATOM 0 HE3 LYS A 32 11.825 3.199 14.295 1.00 1.00 H new ATOM 0 HZ1 LYS A 32 10.639 2.373 16.237 1.00 1.00 H new ATOM 0 HZ2 LYS A 32 10.473 4.059 16.128 1.00 1.00 H new ATOM 0 HZ3 LYS A 32 9.185 3.048 15.678 1.00 1.00 H new ATOM 537 N THR A 33 9.606 2.740 9.372 1.00 1.00 N ATOM 538 CA THR A 33 8.727 1.609 8.948 1.00 1.00 C ATOM 539 C THR A 33 7.754 2.101 7.876 1.00 1.00 C ATOM 540 O THR A 33 7.197 3.176 7.980 1.00 1.00 O ATOM 541 CB THR A 33 7.939 1.094 10.155 1.00 1.00 C ATOM 542 OG1 THR A 33 7.181 -0.045 9.772 1.00 1.00 O ATOM 543 CG2 THR A 33 6.997 2.190 10.656 1.00 1.00 C ATOM 0 H THR A 33 9.134 3.639 9.471 1.00 1.00 H new ATOM 0 HA THR A 33 9.339 0.802 8.544 1.00 1.00 H new ATOM 0 HB THR A 33 8.631 0.820 10.951 1.00 1.00 H new ATOM 0 HG1 THR A 33 6.677 -0.377 10.544 1.00 1.00 H new ATOM 0 HG21 THR A 33 6.436 1.823 11.515 1.00 1.00 H new ATOM 0 HG22 THR A 33 7.579 3.064 10.949 1.00 1.00 H new ATOM 0 HG23 THR A 33 6.304 2.465 9.861 1.00 1.00 H new ATOM 551 N ASN A 34 7.547 1.327 6.844 1.00 1.00 N ATOM 552 CA ASN A 34 6.614 1.761 5.764 1.00 1.00 C ATOM 553 C ASN A 34 5.949 0.541 5.125 1.00 1.00 C ATOM 554 O ASN A 34 6.494 -0.545 5.113 1.00 1.00 O ATOM 555 CB ASN A 34 7.396 2.522 4.691 1.00 1.00 C ATOM 556 CG ASN A 34 7.498 4.002 5.074 1.00 1.00 C ATOM 557 OD1 ASN A 34 7.983 4.336 6.136 1.00 1.00 O ATOM 558 ND2 ASN A 34 7.055 4.907 4.247 1.00 1.00 N ATOM 0 H ASN A 34 7.982 0.416 6.702 1.00 1.00 H new ATOM 0 HA ASN A 34 5.848 2.406 6.195 1.00 1.00 H new ATOM 0 HB2 ASN A 34 8.393 2.095 4.584 1.00 1.00 H new ATOM 0 HB3 ASN A 34 6.900 2.420 3.726 1.00 1.00 H new ATOM 0 HD21 ASN A 34 7.116 5.895 4.492 1.00 1.00 H new ATOM 0 HD22 ASN A 34 6.648 4.627 3.355 1.00 1.00 H new ATOM 565 N THR A 35 4.773 0.723 4.584 1.00 1.00 N ATOM 566 CA THR A 35 4.056 -0.407 3.929 1.00 1.00 C ATOM 567 C THR A 35 3.436 0.087 2.620 1.00 1.00 C ATOM 568 O THR A 35 3.137 1.254 2.466 1.00 1.00 O ATOM 569 CB THR A 35 2.950 -0.916 4.858 1.00 1.00 C ATOM 570 OG1 THR A 35 3.518 -1.290 6.105 1.00 1.00 O ATOM 571 CG2 THR A 35 2.263 -2.126 4.224 1.00 1.00 C ATOM 0 H THR A 35 4.276 1.614 4.569 1.00 1.00 H new ATOM 0 HA THR A 35 4.755 -1.217 3.722 1.00 1.00 H new ATOM 0 HB THR A 35 2.215 -0.127 5.015 1.00 1.00 H new ATOM 0 HG1 THR A 35 2.812 -1.615 6.702 1.00 1.00 H new ATOM 0 HG21 THR A 35 1.476 -2.486 4.887 1.00 1.00 H new ATOM 0 HG22 THR A 35 1.827 -1.837 3.267 1.00 1.00 H new ATOM 0 HG23 THR A 35 2.995 -2.918 4.065 1.00 1.00 H new ATOM 579 N PHE A 36 3.230 -0.793 1.678 1.00 1.00 N ATOM 580 CA PHE A 36 2.616 -0.370 0.382 1.00 1.00 C ATOM 581 C PHE A 36 1.855 -1.563 -0.201 1.00 1.00 C ATOM 582 O PHE A 36 1.869 -2.635 0.361 1.00 1.00 O ATOM 583 CB PHE A 36 3.697 0.083 -0.615 1.00 1.00 C ATOM 584 CG PHE A 36 4.943 0.540 0.111 1.00 1.00 C ATOM 585 CD1 PHE A 36 5.712 -0.381 0.827 1.00 1.00 C ATOM 586 CD2 PHE A 36 5.338 1.882 0.051 1.00 1.00 C ATOM 587 CE1 PHE A 36 6.875 0.036 1.483 1.00 1.00 C ATOM 588 CE2 PHE A 36 6.500 2.301 0.709 1.00 1.00 C ATOM 589 CZ PHE A 36 7.269 1.376 1.425 1.00 1.00 C ATOM 0 H PHE A 36 3.459 -1.785 1.747 1.00 1.00 H new ATOM 0 HA PHE A 36 1.943 0.469 0.559 1.00 1.00 H new ATOM 0 HB2 PHE A 36 3.944 -0.738 -1.288 1.00 1.00 H new ATOM 0 HB3 PHE A 36 3.312 0.895 -1.231 1.00 1.00 H new ATOM 0 HD1 PHE A 36 5.408 -1.416 0.874 1.00 1.00 H new ATOM 0 HD2 PHE A 36 4.745 2.594 -0.504 1.00 1.00 H new ATOM 0 HE1 PHE A 36 7.469 -0.678 2.035 1.00 1.00 H new ATOM 0 HE2 PHE A 36 6.803 3.337 0.664 1.00 1.00 H new ATOM 0 HZ PHE A 36 8.166 1.698 1.932 1.00 1.00 H new ATOM 599 N ILE A 37 1.182 -1.387 -1.313 1.00 1.00 N ATOM 600 CA ILE A 37 0.414 -2.517 -1.915 1.00 1.00 C ATOM 601 C ILE A 37 0.892 -2.764 -3.347 1.00 1.00 C ATOM 602 O ILE A 37 1.048 -1.841 -4.130 1.00 1.00 O ATOM 603 CB ILE A 37 -1.076 -2.162 -1.918 1.00 1.00 C ATOM 604 CG1 ILE A 37 -1.533 -1.827 -0.482 1.00 1.00 C ATOM 605 CG2 ILE A 37 -1.883 -3.350 -2.451 1.00 1.00 C ATOM 606 CD1 ILE A 37 -2.642 -0.766 -0.508 1.00 1.00 C ATOM 0 H ILE A 37 1.133 -0.508 -1.828 1.00 1.00 H new ATOM 0 HA ILE A 37 0.574 -3.422 -1.330 1.00 1.00 H new ATOM 0 HB ILE A 37 -1.240 -1.296 -2.559 1.00 1.00 H new ATOM 0 HG12 ILE A 37 -1.895 -2.729 0.011 1.00 1.00 H new ATOM 0 HG13 ILE A 37 -0.686 -1.463 0.101 1.00 1.00 H new ATOM 0 HG21 ILE A 37 -2.943 -3.098 -2.453 1.00 1.00 H new ATOM 0 HG22 ILE A 37 -1.563 -3.581 -3.467 1.00 1.00 H new ATOM 0 HG23 ILE A 37 -1.718 -4.218 -1.812 1.00 1.00 H new ATOM 0 HD11 ILE A 37 -2.954 -0.540 0.512 1.00 1.00 H new ATOM 0 HD12 ILE A 37 -2.267 0.141 -0.982 1.00 1.00 H new ATOM 0 HD13 ILE A 37 -3.494 -1.144 -1.073 1.00 1.00 H new ATOM 618 N TYR A 38 1.128 -4.005 -3.698 1.00 1.00 N ATOM 619 CA TYR A 38 1.591 -4.309 -5.086 1.00 1.00 C ATOM 620 C TYR A 38 0.380 -4.655 -5.956 1.00 1.00 C ATOM 621 O TYR A 38 -0.125 -5.759 -5.923 1.00 1.00 O ATOM 622 CB TYR A 38 2.556 -5.499 -5.065 1.00 1.00 C ATOM 623 CG TYR A 38 2.955 -5.850 -6.480 1.00 1.00 C ATOM 624 CD1 TYR A 38 3.641 -4.917 -7.267 1.00 1.00 C ATOM 625 CD2 TYR A 38 2.637 -7.110 -7.006 1.00 1.00 C ATOM 626 CE1 TYR A 38 4.008 -5.243 -8.579 1.00 1.00 C ATOM 627 CE2 TYR A 38 3.005 -7.434 -8.317 1.00 1.00 C ATOM 628 CZ TYR A 38 3.690 -6.500 -9.103 1.00 1.00 C ATOM 629 OH TYR A 38 4.052 -6.821 -10.396 1.00 1.00 O ATOM 0 H TYR A 38 1.021 -4.815 -3.087 1.00 1.00 H new ATOM 0 HA TYR A 38 2.104 -3.438 -5.494 1.00 1.00 H new ATOM 0 HB2 TYR A 38 3.440 -5.253 -4.477 1.00 1.00 H new ATOM 0 HB3 TYR A 38 2.083 -6.356 -4.586 1.00 1.00 H new ATOM 0 HD1 TYR A 38 3.887 -3.946 -6.863 1.00 1.00 H new ATOM 0 HD2 TYR A 38 2.108 -7.831 -6.400 1.00 1.00 H new ATOM 0 HE1 TYR A 38 4.537 -4.523 -9.186 1.00 1.00 H new ATOM 0 HE2 TYR A 38 2.760 -8.405 -8.722 1.00 1.00 H new ATOM 0 HH TYR A 38 3.756 -7.732 -10.602 1.00 1.00 H new ATOM 639 N ALA A 39 -0.092 -3.718 -6.735 1.00 1.00 N ATOM 640 CA ALA A 39 -1.271 -3.995 -7.605 1.00 1.00 C ATOM 641 C ALA A 39 -1.286 -3.006 -8.772 1.00 1.00 C ATOM 642 O ALA A 39 -0.750 -1.919 -8.683 1.00 1.00 O ATOM 643 CB ALA A 39 -2.556 -3.838 -6.787 1.00 1.00 C ATOM 0 H ALA A 39 0.288 -2.774 -6.806 1.00 1.00 H new ATOM 0 HA ALA A 39 -1.208 -5.012 -7.991 1.00 1.00 H new ATOM 0 HB1 ALA A 39 -3.419 -4.040 -7.422 1.00 1.00 H new ATOM 0 HB2 ALA A 39 -2.545 -4.541 -5.954 1.00 1.00 H new ATOM 0 HB3 ALA A 39 -2.620 -2.820 -6.402 1.00 1.00 H new ATOM 649 N LEU A 40 -1.895 -3.373 -9.869 1.00 1.00 N ATOM 650 CA LEU A 40 -1.942 -2.452 -11.040 1.00 1.00 C ATOM 651 C LEU A 40 -3.202 -1.573 -10.942 1.00 1.00 C ATOM 652 O LEU A 40 -4.230 -2.007 -10.459 1.00 1.00 O ATOM 653 CB LEU A 40 -1.912 -3.292 -12.336 1.00 1.00 C ATOM 654 CG LEU A 40 -3.323 -3.520 -12.902 1.00 1.00 C ATOM 655 CD1 LEU A 40 -3.664 -2.394 -13.878 1.00 1.00 C ATOM 656 CD2 LEU A 40 -3.360 -4.857 -13.649 1.00 1.00 C ATOM 0 H LEU A 40 -2.361 -4.270 -10.004 1.00 1.00 H new ATOM 0 HA LEU A 40 -1.078 -1.787 -11.052 1.00 1.00 H new ATOM 0 HB2 LEU A 40 -1.298 -2.787 -13.082 1.00 1.00 H new ATOM 0 HB3 LEU A 40 -1.441 -4.254 -12.135 1.00 1.00 H new ATOM 0 HG LEU A 40 -4.045 -3.533 -12.086 1.00 1.00 H new ATOM 0 HD11 LEU A 40 -4.664 -2.553 -14.281 1.00 1.00 H new ATOM 0 HD12 LEU A 40 -3.631 -1.438 -13.356 1.00 1.00 H new ATOM 0 HD13 LEU A 40 -2.941 -2.388 -14.693 1.00 1.00 H new ATOM 0 HD21 LEU A 40 -4.360 -5.021 -14.051 1.00 1.00 H new ATOM 0 HD22 LEU A 40 -2.639 -4.837 -14.466 1.00 1.00 H new ATOM 0 HD23 LEU A 40 -3.108 -5.665 -12.962 1.00 1.00 H new ATOM 668 N PRO A 41 -3.117 -0.337 -11.373 1.00 1.00 N ATOM 669 CA PRO A 41 -4.256 0.622 -11.311 1.00 1.00 C ATOM 670 C PRO A 41 -5.610 -0.028 -11.613 1.00 1.00 C ATOM 671 O PRO A 41 -6.541 0.065 -10.837 1.00 1.00 O ATOM 672 CB PRO A 41 -3.920 1.651 -12.393 1.00 1.00 C ATOM 673 CG PRO A 41 -2.431 1.603 -12.569 1.00 1.00 C ATOM 674 CD PRO A 41 -1.924 0.284 -11.968 1.00 1.00 C ATOM 0 HA PRO A 41 -4.362 1.041 -10.310 1.00 1.00 H new ATOM 0 HB2 PRO A 41 -4.430 1.414 -13.327 1.00 1.00 H new ATOM 0 HB3 PRO A 41 -4.245 2.648 -12.096 1.00 1.00 H new ATOM 0 HG2 PRO A 41 -2.170 1.665 -13.625 1.00 1.00 H new ATOM 0 HG3 PRO A 41 -1.961 2.453 -12.074 1.00 1.00 H new ATOM 0 HD2 PRO A 41 -1.484 -0.356 -12.732 1.00 1.00 H new ATOM 0 HD3 PRO A 41 -1.153 0.461 -11.218 1.00 1.00 H new ATOM 682 N GLY A 42 -5.732 -0.669 -12.740 1.00 1.00 N ATOM 683 CA GLY A 42 -7.033 -1.307 -13.101 1.00 1.00 C ATOM 684 C GLY A 42 -7.518 -2.205 -11.961 1.00 1.00 C ATOM 685 O GLY A 42 -8.632 -2.086 -11.503 1.00 1.00 O ATOM 0 H GLY A 42 -4.988 -0.780 -13.429 1.00 1.00 H new ATOM 0 HA2 GLY A 42 -7.777 -0.538 -13.310 1.00 1.00 H new ATOM 0 HA3 GLY A 42 -6.917 -1.894 -14.012 1.00 1.00 H new ATOM 689 N ARG A 43 -6.695 -3.107 -11.508 1.00 1.00 N ATOM 690 CA ARG A 43 -7.111 -4.022 -10.406 1.00 1.00 C ATOM 691 C ARG A 43 -7.418 -3.218 -9.137 1.00 1.00 C ATOM 692 O ARG A 43 -8.222 -3.620 -8.319 1.00 1.00 O ATOM 693 CB ARG A 43 -5.983 -5.012 -10.115 1.00 1.00 C ATOM 694 CG ARG A 43 -6.417 -5.964 -8.999 1.00 1.00 C ATOM 695 CD ARG A 43 -5.401 -7.100 -8.870 1.00 1.00 C ATOM 696 NE ARG A 43 -5.934 -8.139 -7.944 1.00 1.00 N ATOM 697 CZ ARG A 43 -5.426 -9.341 -7.949 1.00 1.00 C ATOM 698 NH1 ARG A 43 -4.450 -9.633 -8.764 1.00 1.00 N ATOM 699 NH2 ARG A 43 -5.895 -10.250 -7.140 1.00 1.00 N ATOM 0 H ARG A 43 -5.747 -3.252 -11.854 1.00 1.00 H new ATOM 0 HA ARG A 43 -8.008 -4.560 -10.713 1.00 1.00 H new ATOM 0 HB2 ARG A 43 -5.739 -5.576 -11.015 1.00 1.00 H new ATOM 0 HB3 ARG A 43 -5.081 -4.476 -9.820 1.00 1.00 H new ATOM 0 HG2 ARG A 43 -6.495 -5.423 -8.056 1.00 1.00 H new ATOM 0 HG3 ARG A 43 -7.405 -6.369 -9.217 1.00 1.00 H new ATOM 0 HD2 ARG A 43 -5.202 -7.537 -9.848 1.00 1.00 H new ATOM 0 HD3 ARG A 43 -4.453 -6.714 -8.494 1.00 1.00 H new ATOM 0 HE ARG A 43 -6.696 -7.910 -7.306 1.00 1.00 H new ATOM 0 HH11 ARG A 43 -4.084 -8.922 -9.397 1.00 1.00 H new ATOM 0 HH12 ARG A 43 -4.053 -10.572 -8.768 1.00 1.00 H new ATOM 0 HH21 ARG A 43 -6.659 -10.021 -6.504 1.00 1.00 H new ATOM 0 HH22 ARG A 43 -5.498 -11.190 -7.144 1.00 1.00 H new ATOM 713 N VAL A 44 -6.779 -2.094 -8.958 1.00 1.00 N ATOM 714 CA VAL A 44 -7.033 -1.282 -7.734 1.00 1.00 C ATOM 715 C VAL A 44 -8.365 -0.541 -7.867 1.00 1.00 C ATOM 716 O VAL A 44 -9.255 -0.694 -7.054 1.00 1.00 O ATOM 717 CB VAL A 44 -5.899 -0.272 -7.548 1.00 1.00 C ATOM 718 CG1 VAL A 44 -6.158 0.566 -6.292 1.00 1.00 C ATOM 719 CG2 VAL A 44 -4.572 -1.023 -7.399 1.00 1.00 C ATOM 0 H VAL A 44 -6.094 -1.704 -9.605 1.00 1.00 H new ATOM 0 HA VAL A 44 -7.078 -1.942 -6.868 1.00 1.00 H new ATOM 0 HB VAL A 44 -5.851 0.386 -8.416 1.00 1.00 H new ATOM 0 HG11 VAL A 44 -5.349 1.285 -6.161 1.00 1.00 H new ATOM 0 HG12 VAL A 44 -7.103 1.098 -6.398 1.00 1.00 H new ATOM 0 HG13 VAL A 44 -6.206 -0.088 -5.422 1.00 1.00 H new ATOM 0 HG21 VAL A 44 -3.761 -0.307 -7.266 1.00 1.00 H new ATOM 0 HG22 VAL A 44 -4.621 -1.680 -6.531 1.00 1.00 H new ATOM 0 HG23 VAL A 44 -4.388 -1.617 -8.294 1.00 1.00 H new ATOM 729 N LYS A 45 -8.515 0.260 -8.886 1.00 1.00 N ATOM 730 CA LYS A 45 -9.794 1.003 -9.064 1.00 1.00 C ATOM 731 C LYS A 45 -10.914 0.003 -9.355 1.00 1.00 C ATOM 732 O LYS A 45 -12.083 0.293 -9.191 1.00 1.00 O ATOM 733 CB LYS A 45 -9.663 1.981 -10.234 1.00 1.00 C ATOM 734 CG LYS A 45 -9.491 1.199 -11.540 1.00 1.00 C ATOM 735 CD LYS A 45 -8.939 2.126 -12.626 1.00 1.00 C ATOM 736 CE LYS A 45 -9.937 3.252 -12.901 1.00 1.00 C ATOM 737 NZ LYS A 45 -11.303 2.678 -13.063 1.00 1.00 N ATOM 0 H LYS A 45 -7.809 0.432 -9.602 1.00 1.00 H new ATOM 0 HA LYS A 45 -10.024 1.561 -8.156 1.00 1.00 H new ATOM 0 HB2 LYS A 45 -10.548 2.615 -10.292 1.00 1.00 H new ATOM 0 HB3 LYS A 45 -8.808 2.639 -10.077 1.00 1.00 H new ATOM 0 HG2 LYS A 45 -8.813 0.359 -11.386 1.00 1.00 H new ATOM 0 HG3 LYS A 45 -10.448 0.783 -11.855 1.00 1.00 H new ATOM 0 HD2 LYS A 45 -7.983 2.544 -12.309 1.00 1.00 H new ATOM 0 HD3 LYS A 45 -8.753 1.561 -13.539 1.00 1.00 H new ATOM 0 HE2 LYS A 45 -9.927 3.969 -12.080 1.00 1.00 H new ATOM 0 HE3 LYS A 45 -9.650 3.795 -13.802 1.00 1.00 H new ATOM 0 HZ1 LYS A 45 -11.902 3.349 -13.585 1.00 1.00 H new ATOM 0 HZ2 LYS A 45 -11.243 1.784 -13.591 1.00 1.00 H new ATOM 0 HZ3 LYS A 45 -11.718 2.500 -12.126 1.00 1.00 H new ATOM 751 N ALA A 46 -10.558 -1.172 -9.789 1.00 1.00 N ATOM 752 CA ALA A 46 -11.583 -2.206 -10.100 1.00 1.00 C ATOM 753 C ALA A 46 -12.098 -2.820 -8.797 1.00 1.00 C ATOM 754 O ALA A 46 -13.259 -3.156 -8.674 1.00 1.00 O ATOM 755 CB ALA A 46 -10.944 -3.300 -10.961 1.00 1.00 C ATOM 0 H ALA A 46 -9.593 -1.463 -9.943 1.00 1.00 H new ATOM 0 HA ALA A 46 -12.414 -1.751 -10.639 1.00 1.00 H new ATOM 0 HB1 ALA A 46 -11.688 -4.062 -11.193 1.00 1.00 H new ATOM 0 HB2 ALA A 46 -10.571 -2.863 -11.887 1.00 1.00 H new ATOM 0 HB3 ALA A 46 -10.117 -3.755 -10.416 1.00 1.00 H new ATOM 761 N LEU A 47 -11.242 -2.973 -7.825 1.00 1.00 N ATOM 762 CA LEU A 47 -11.680 -3.568 -6.532 1.00 1.00 C ATOM 763 C LEU A 47 -12.598 -2.583 -5.798 1.00 1.00 C ATOM 764 O LEU A 47 -13.141 -2.889 -4.755 1.00 1.00 O ATOM 765 CB LEU A 47 -10.444 -3.871 -5.671 1.00 1.00 C ATOM 766 CG LEU A 47 -10.613 -5.219 -4.961 1.00 1.00 C ATOM 767 CD1 LEU A 47 -9.338 -5.545 -4.182 1.00 1.00 C ATOM 768 CD2 LEU A 47 -11.795 -5.145 -3.993 1.00 1.00 C ATOM 0 H LEU A 47 -10.257 -2.711 -7.871 1.00 1.00 H new ATOM 0 HA LEU A 47 -12.227 -4.492 -6.719 1.00 1.00 H new ATOM 0 HB2 LEU A 47 -9.552 -3.890 -6.296 1.00 1.00 H new ATOM 0 HB3 LEU A 47 -10.301 -3.079 -4.935 1.00 1.00 H new ATOM 0 HG LEU A 47 -10.800 -5.997 -5.701 1.00 1.00 H new ATOM 0 HD11 LEU A 47 -9.456 -6.503 -3.676 1.00 1.00 H new ATOM 0 HD12 LEU A 47 -8.495 -5.599 -4.871 1.00 1.00 H new ATOM 0 HD13 LEU A 47 -9.153 -4.765 -3.443 1.00 1.00 H new ATOM 0 HD21 LEU A 47 -11.913 -6.104 -3.489 1.00 1.00 H new ATOM 0 HD22 LEU A 47 -11.611 -4.367 -3.252 1.00 1.00 H new ATOM 0 HD23 LEU A 47 -12.704 -4.911 -4.546 1.00 1.00 H new ATOM 780 N CYS A 48 -12.774 -1.402 -6.334 1.00 1.00 N ATOM 781 CA CYS A 48 -13.657 -0.397 -5.670 1.00 1.00 C ATOM 782 C CYS A 48 -14.866 -0.125 -6.565 1.00 1.00 C ATOM 783 O CYS A 48 -15.642 0.776 -6.325 1.00 1.00 O ATOM 784 CB CYS A 48 -12.875 0.904 -5.452 1.00 1.00 C ATOM 785 SG CYS A 48 -11.980 0.812 -3.883 1.00 1.00 S ATOM 0 H CYS A 48 -12.343 -1.090 -7.204 1.00 1.00 H new ATOM 0 HA CYS A 48 -13.994 -0.780 -4.707 1.00 1.00 H new ATOM 0 HB2 CYS A 48 -12.176 1.063 -6.273 1.00 1.00 H new ATOM 0 HB3 CYS A 48 -13.557 1.754 -5.445 1.00 1.00 H new ATOM 790 N LYS A 49 -15.026 -0.899 -7.602 1.00 1.00 N ATOM 791 CA LYS A 49 -16.178 -0.685 -8.520 1.00 1.00 C ATOM 792 C LYS A 49 -17.449 -1.287 -7.914 1.00 1.00 C ATOM 793 O LYS A 49 -17.415 -2.318 -7.272 1.00 1.00 O ATOM 794 CB LYS A 49 -15.875 -1.353 -9.865 1.00 1.00 C ATOM 795 CG LYS A 49 -16.045 -2.871 -9.744 1.00 1.00 C ATOM 796 CD LYS A 49 -15.367 -3.560 -10.931 1.00 1.00 C ATOM 797 CE LYS A 49 -15.844 -5.011 -11.021 1.00 1.00 C ATOM 798 NZ LYS A 49 -14.970 -5.765 -11.964 1.00 1.00 N ATOM 0 H LYS A 49 -14.408 -1.671 -7.853 1.00 1.00 H new ATOM 0 HA LYS A 49 -16.334 0.384 -8.668 1.00 1.00 H new ATOM 0 HB2 LYS A 49 -16.543 -0.964 -10.633 1.00 1.00 H new ATOM 0 HB3 LYS A 49 -14.858 -1.116 -10.178 1.00 1.00 H new ATOM 0 HG2 LYS A 49 -15.609 -3.223 -8.809 1.00 1.00 H new ATOM 0 HG3 LYS A 49 -17.104 -3.128 -9.718 1.00 1.00 H new ATOM 0 HD2 LYS A 49 -15.602 -3.031 -11.855 1.00 1.00 H new ATOM 0 HD3 LYS A 49 -14.284 -3.529 -10.813 1.00 1.00 H new ATOM 0 HE2 LYS A 49 -15.818 -5.475 -10.035 1.00 1.00 H new ATOM 0 HE3 LYS A 49 -16.879 -5.044 -11.362 1.00 1.00 H new ATOM 0 HZ1 LYS A 49 -15.295 -6.751 -12.025 1.00 1.00 H new ATOM 0 HZ2 LYS A 49 -15.016 -5.327 -12.906 1.00 1.00 H new ATOM 0 HZ3 LYS A 49 -13.989 -5.744 -11.620 1.00 1.00 H new ATOM 812 N ASN A 50 -18.572 -0.652 -8.123 1.00 1.00 N ATOM 813 CA ASN A 50 -19.855 -1.179 -7.574 1.00 1.00 C ATOM 814 C ASN A 50 -19.927 -0.920 -6.065 1.00 1.00 C ATOM 815 O ASN A 50 -20.922 -1.203 -5.428 1.00 1.00 O ATOM 816 CB ASN A 50 -19.950 -2.687 -7.845 1.00 1.00 C ATOM 817 CG ASN A 50 -21.418 -3.092 -7.998 1.00 1.00 C ATOM 818 OD1 ASN A 50 -21.721 -4.114 -8.582 1.00 1.00 O ATOM 819 ND2 ASN A 50 -22.348 -2.329 -7.495 1.00 1.00 N ATOM 0 H ASN A 50 -18.655 0.215 -8.654 1.00 1.00 H new ATOM 0 HA ASN A 50 -20.687 -0.670 -8.061 1.00 1.00 H new ATOM 0 HB2 ASN A 50 -19.397 -2.939 -8.750 1.00 1.00 H new ATOM 0 HB3 ASN A 50 -19.493 -3.243 -7.026 1.00 1.00 H new ATOM 0 HD21 ASN A 50 -23.329 -2.590 -7.592 1.00 1.00 H new ATOM 0 HD22 ASN A 50 -22.094 -1.471 -7.005 1.00 1.00 H new ATOM 826 N ILE A 51 -18.886 -0.388 -5.486 1.00 1.00 N ATOM 827 CA ILE A 51 -18.913 -0.119 -4.020 1.00 1.00 C ATOM 828 C ILE A 51 -19.679 1.176 -3.753 1.00 1.00 C ATOM 829 O ILE A 51 -20.067 1.882 -4.662 1.00 1.00 O ATOM 830 CB ILE A 51 -17.477 0.015 -3.497 1.00 1.00 C ATOM 831 CG1 ILE A 51 -16.716 -1.296 -3.733 1.00 1.00 C ATOM 832 CG2 ILE A 51 -17.493 0.335 -2.000 1.00 1.00 C ATOM 833 CD1 ILE A 51 -17.463 -2.468 -3.086 1.00 1.00 C ATOM 0 H ILE A 51 -18.022 -0.129 -5.962 1.00 1.00 H new ATOM 0 HA ILE A 51 -19.408 -0.944 -3.508 1.00 1.00 H new ATOM 0 HB ILE A 51 -16.979 0.825 -4.031 1.00 1.00 H new ATOM 0 HG12 ILE A 51 -16.605 -1.473 -4.803 1.00 1.00 H new ATOM 0 HG13 ILE A 51 -15.712 -1.222 -3.316 1.00 1.00 H new ATOM 0 HG21 ILE A 51 -16.469 0.428 -1.637 1.00 1.00 H new ATOM 0 HG22 ILE A 51 -18.024 1.272 -1.834 1.00 1.00 H new ATOM 0 HG23 ILE A 51 -17.997 -0.468 -1.462 1.00 1.00 H new ATOM 0 HD11 ILE A 51 -16.912 -3.392 -3.261 1.00 1.00 H new ATOM 0 HD12 ILE A 51 -17.551 -2.296 -2.013 1.00 1.00 H new ATOM 0 HD13 ILE A 51 -18.458 -2.551 -3.523 1.00 1.00 H new ATOM 845 N ARG A 52 -19.901 1.485 -2.506 1.00 1.00 N ATOM 846 CA ARG A 52 -20.648 2.729 -2.157 1.00 1.00 C ATOM 847 C ARG A 52 -19.660 3.830 -1.763 1.00 1.00 C ATOM 848 O ARG A 52 -18.494 3.780 -2.097 1.00 1.00 O ATOM 849 CB ARG A 52 -21.584 2.446 -0.981 1.00 1.00 C ATOM 850 CG ARG A 52 -22.515 1.285 -1.336 1.00 1.00 C ATOM 851 CD ARG A 52 -23.277 0.842 -0.087 1.00 1.00 C ATOM 852 NE ARG A 52 -24.364 -0.101 -0.478 1.00 1.00 N ATOM 853 CZ ARG A 52 -25.064 -0.707 0.441 1.00 1.00 C ATOM 854 NH1 ARG A 52 -24.812 -0.489 1.703 1.00 1.00 N ATOM 855 NH2 ARG A 52 -26.016 -1.531 0.098 1.00 1.00 N ATOM 0 H ARG A 52 -19.596 0.927 -1.708 1.00 1.00 H new ATOM 0 HA ARG A 52 -21.229 3.055 -3.020 1.00 1.00 H new ATOM 0 HB2 ARG A 52 -21.004 2.201 -0.091 1.00 1.00 H new ATOM 0 HB3 ARG A 52 -22.168 3.336 -0.746 1.00 1.00 H new ATOM 0 HG2 ARG A 52 -23.216 1.591 -2.113 1.00 1.00 H new ATOM 0 HG3 ARG A 52 -21.938 0.452 -1.738 1.00 1.00 H new ATOM 0 HD2 ARG A 52 -22.597 0.359 0.615 1.00 1.00 H new ATOM 0 HD3 ARG A 52 -23.698 1.709 0.422 1.00 1.00 H new ATOM 0 HE ARG A 52 -24.560 -0.272 -1.464 1.00 1.00 H new ATOM 0 HH11 ARG A 52 -24.068 0.155 1.971 1.00 1.00 H new ATOM 0 HH12 ARG A 52 -25.359 -0.963 2.422 1.00 1.00 H new ATOM 0 HH21 ARG A 52 -26.213 -1.701 -0.888 1.00 1.00 H new ATOM 0 HH22 ARG A 52 -26.564 -2.005 0.816 1.00 1.00 H new ATOM 869 N ASP A 53 -20.122 4.823 -1.056 1.00 1.00 N ATOM 870 CA ASP A 53 -19.223 5.936 -0.634 1.00 1.00 C ATOM 871 C ASP A 53 -18.126 5.410 0.282 1.00 1.00 C ATOM 872 O ASP A 53 -17.651 4.299 0.144 1.00 1.00 O ATOM 873 CB ASP A 53 -20.042 6.989 0.113 1.00 1.00 C ATOM 874 CG ASP A 53 -21.327 7.282 -0.663 1.00 1.00 C ATOM 875 OD1 ASP A 53 -21.245 7.969 -1.668 1.00 1.00 O ATOM 876 OD2 ASP A 53 -22.371 6.813 -0.240 1.00 1.00 O ATOM 0 H ASP A 53 -21.091 4.913 -0.750 1.00 1.00 H new ATOM 0 HA ASP A 53 -18.765 6.378 -1.519 1.00 1.00 H new ATOM 0 HB2 ASP A 53 -20.283 6.634 1.115 1.00 1.00 H new ATOM 0 HB3 ASP A 53 -19.459 7.903 0.230 1.00 1.00 H new ATOM 881 N ASN A 54 -17.718 6.220 1.206 1.00 1.00 N ATOM 882 CA ASN A 54 -16.636 5.813 2.146 1.00 1.00 C ATOM 883 C ASN A 54 -17.107 4.640 3.004 1.00 1.00 C ATOM 884 O ASN A 54 -17.990 4.769 3.829 1.00 1.00 O ATOM 885 CB ASN A 54 -16.283 6.993 3.053 1.00 1.00 C ATOM 886 CG ASN A 54 -17.564 7.579 3.651 1.00 1.00 C ATOM 887 OD1 ASN A 54 -17.519 8.540 4.392 1.00 1.00 O ATOM 888 ND2 ASN A 54 -18.713 7.034 3.358 1.00 1.00 N ATOM 0 H ASN A 54 -18.088 7.158 1.357 1.00 1.00 H new ATOM 0 HA ASN A 54 -15.759 5.511 1.574 1.00 1.00 H new ATOM 0 HB2 ASN A 54 -15.614 6.666 3.849 1.00 1.00 H new ATOM 0 HB3 ASN A 54 -15.752 7.756 2.484 1.00 1.00 H new ATOM 0 HD21 ASN A 54 -19.573 7.415 3.751 1.00 1.00 H new ATOM 0 HD22 ASN A 54 -18.751 6.227 2.736 1.00 1.00 H new ATOM 895 N THR A 55 -16.511 3.494 2.816 1.00 1.00 N ATOM 896 CA THR A 55 -16.899 2.297 3.614 1.00 1.00 C ATOM 897 C THR A 55 -15.666 1.408 3.792 1.00 1.00 C ATOM 898 O THR A 55 -14.714 1.499 3.046 1.00 1.00 O ATOM 899 CB THR A 55 -18.002 1.520 2.880 1.00 1.00 C ATOM 900 OG1 THR A 55 -18.660 2.387 1.968 1.00 1.00 O ATOM 901 CG2 THR A 55 -19.016 0.976 3.890 1.00 1.00 C ATOM 0 H THR A 55 -15.766 3.335 2.138 1.00 1.00 H new ATOM 0 HA THR A 55 -17.277 2.605 4.589 1.00 1.00 H new ATOM 0 HB THR A 55 -17.556 0.686 2.338 1.00 1.00 H new ATOM 0 HG1 THR A 55 -19.363 1.893 1.497 1.00 1.00 H new ATOM 0 HG21 THR A 55 -19.796 0.426 3.363 1.00 1.00 H new ATOM 0 HG22 THR A 55 -18.511 0.309 4.589 1.00 1.00 H new ATOM 0 HG23 THR A 55 -19.464 1.805 4.438 1.00 1.00 H new ATOM 909 N ASP A 56 -15.672 0.555 4.777 1.00 1.00 N ATOM 910 CA ASP A 56 -14.490 -0.329 5.002 1.00 1.00 C ATOM 911 C ASP A 56 -14.652 -1.626 4.208 1.00 1.00 C ATOM 912 O ASP A 56 -15.539 -2.415 4.464 1.00 1.00 O ATOM 913 CB ASP A 56 -14.378 -0.657 6.492 1.00 1.00 C ATOM 914 CG ASP A 56 -14.514 0.628 7.310 1.00 1.00 C ATOM 915 OD1 ASP A 56 -15.638 1.037 7.554 1.00 1.00 O ATOM 916 OD2 ASP A 56 -13.491 1.183 7.681 1.00 1.00 O ATOM 0 H ASP A 56 -16.441 0.430 5.436 1.00 1.00 H new ATOM 0 HA ASP A 56 -13.588 0.185 4.669 1.00 1.00 H new ATOM 0 HB2 ASP A 56 -15.154 -1.366 6.778 1.00 1.00 H new ATOM 0 HB3 ASP A 56 -13.419 -1.133 6.699 1.00 1.00 H new ATOM 921 N VAL A 57 -13.791 -1.855 3.251 1.00 1.00 N ATOM 922 CA VAL A 57 -13.882 -3.105 2.441 1.00 1.00 C ATOM 923 C VAL A 57 -12.820 -4.095 2.926 1.00 1.00 C ATOM 924 O VAL A 57 -11.939 -3.750 3.690 1.00 1.00 O ATOM 925 CB VAL A 57 -13.655 -2.782 0.962 1.00 1.00 C ATOM 926 CG1 VAL A 57 -14.577 -1.634 0.548 1.00 1.00 C ATOM 927 CG2 VAL A 57 -12.199 -2.368 0.744 1.00 1.00 C ATOM 0 H VAL A 57 -13.027 -1.229 2.995 1.00 1.00 H new ATOM 0 HA VAL A 57 -14.872 -3.546 2.558 1.00 1.00 H new ATOM 0 HB VAL A 57 -13.874 -3.664 0.360 1.00 1.00 H new ATOM 0 HG11 VAL A 57 -14.418 -1.401 -0.505 1.00 1.00 H new ATOM 0 HG12 VAL A 57 -15.615 -1.928 0.702 1.00 1.00 H new ATOM 0 HG13 VAL A 57 -14.356 -0.754 1.152 1.00 1.00 H new ATOM 0 HG21 VAL A 57 -12.040 -2.139 -0.310 1.00 1.00 H new ATOM 0 HG22 VAL A 57 -11.978 -1.486 1.345 1.00 1.00 H new ATOM 0 HG23 VAL A 57 -11.540 -3.184 1.041 1.00 1.00 H new ATOM 937 N LEU A 58 -12.906 -5.324 2.494 1.00 1.00 N ATOM 938 CA LEU A 58 -11.915 -6.350 2.936 1.00 1.00 C ATOM 939 C LEU A 58 -11.582 -7.275 1.762 1.00 1.00 C ATOM 940 O LEU A 58 -12.464 -7.795 1.106 1.00 1.00 O ATOM 941 CB LEU A 58 -12.545 -7.165 4.081 1.00 1.00 C ATOM 942 CG LEU A 58 -11.487 -7.556 5.120 1.00 1.00 C ATOM 943 CD1 LEU A 58 -10.402 -8.404 4.457 1.00 1.00 C ATOM 944 CD2 LEU A 58 -10.859 -6.293 5.732 1.00 1.00 C ATOM 0 H LEU A 58 -13.622 -5.664 1.852 1.00 1.00 H new ATOM 0 HA LEU A 58 -10.998 -5.871 3.278 1.00 1.00 H new ATOM 0 HB2 LEU A 58 -13.331 -6.581 4.559 1.00 1.00 H new ATOM 0 HB3 LEU A 58 -13.015 -8.063 3.679 1.00 1.00 H new ATOM 0 HG LEU A 58 -11.963 -8.135 5.912 1.00 1.00 H new ATOM 0 HD11 LEU A 58 -9.652 -8.680 5.198 1.00 1.00 H new ATOM 0 HD12 LEU A 58 -10.849 -9.306 4.040 1.00 1.00 H new ATOM 0 HD13 LEU A 58 -9.930 -7.831 3.659 1.00 1.00 H new ATOM 0 HD21 LEU A 58 -10.109 -6.580 6.469 1.00 1.00 H new ATOM 0 HD22 LEU A 58 -10.388 -5.703 4.946 1.00 1.00 H new ATOM 0 HD23 LEU A 58 -11.634 -5.699 6.216 1.00 1.00 H new ATOM 956 N SER A 59 -10.321 -7.488 1.483 1.00 1.00 N ATOM 957 CA SER A 59 -9.968 -8.382 0.343 1.00 1.00 C ATOM 958 C SER A 59 -10.653 -9.738 0.538 1.00 1.00 C ATOM 959 O SER A 59 -10.921 -10.156 1.646 1.00 1.00 O ATOM 960 CB SER A 59 -8.445 -8.552 0.259 1.00 1.00 C ATOM 961 OG SER A 59 -8.131 -9.920 0.035 1.00 1.00 O ATOM 0 H SER A 59 -9.531 -7.087 1.989 1.00 1.00 H new ATOM 0 HA SER A 59 -10.312 -7.939 -0.592 1.00 1.00 H new ATOM 0 HB2 SER A 59 -8.044 -7.939 -0.548 1.00 1.00 H new ATOM 0 HB3 SER A 59 -7.979 -8.208 1.182 1.00 1.00 H new ATOM 0 HG SER A 59 -7.158 -10.028 -0.020 1.00 1.00 H new ATOM 967 N ARG A 60 -10.965 -10.416 -0.534 1.00 1.00 N ATOM 968 CA ARG A 60 -11.660 -11.732 -0.415 1.00 1.00 C ATOM 969 C ARG A 60 -10.640 -12.857 -0.220 1.00 1.00 C ATOM 970 O ARG A 60 -10.993 -14.018 -0.180 1.00 1.00 O ATOM 971 CB ARG A 60 -12.464 -11.995 -1.689 1.00 1.00 C ATOM 972 CG ARG A 60 -13.637 -11.015 -1.766 1.00 1.00 C ATOM 973 CD ARG A 60 -14.270 -11.085 -3.155 1.00 1.00 C ATOM 974 NE ARG A 60 -14.399 -12.510 -3.571 1.00 1.00 N ATOM 975 CZ ARG A 60 -14.544 -12.813 -4.832 1.00 1.00 C ATOM 976 NH1 ARG A 60 -14.577 -11.867 -5.731 1.00 1.00 N ATOM 977 NH2 ARG A 60 -14.655 -14.062 -5.195 1.00 1.00 N ATOM 0 H ARG A 60 -10.769 -10.115 -1.489 1.00 1.00 H new ATOM 0 HA ARG A 60 -12.326 -11.704 0.448 1.00 1.00 H new ATOM 0 HB2 ARG A 60 -11.825 -11.882 -2.565 1.00 1.00 H new ATOM 0 HB3 ARG A 60 -12.833 -13.021 -1.693 1.00 1.00 H new ATOM 0 HG2 ARG A 60 -14.378 -11.258 -1.004 1.00 1.00 H new ATOM 0 HG3 ARG A 60 -13.292 -10.001 -1.563 1.00 1.00 H new ATOM 0 HD2 ARG A 60 -15.250 -10.608 -3.144 1.00 1.00 H new ATOM 0 HD3 ARG A 60 -13.658 -10.539 -3.873 1.00 1.00 H new ATOM 0 HE ARG A 60 -14.374 -13.250 -2.869 1.00 1.00 H new ATOM 0 HH11 ARG A 60 -14.489 -10.891 -5.448 1.00 1.00 H new ATOM 0 HH12 ARG A 60 -14.690 -12.104 -6.717 1.00 1.00 H new ATOM 0 HH21 ARG A 60 -14.628 -14.801 -4.493 1.00 1.00 H new ATOM 0 HH22 ARG A 60 -14.768 -14.298 -6.181 1.00 1.00 H new ATOM 991 N ASP A 61 -9.384 -12.530 -0.101 1.00 1.00 N ATOM 992 CA ASP A 61 -8.364 -13.599 0.089 1.00 1.00 C ATOM 993 C ASP A 61 -7.074 -12.991 0.630 1.00 1.00 C ATOM 994 O ASP A 61 -6.867 -12.917 1.825 1.00 1.00 O ATOM 995 CB ASP A 61 -8.086 -14.284 -1.250 1.00 1.00 C ATOM 996 CG ASP A 61 -6.974 -15.320 -1.072 1.00 1.00 C ATOM 997 OD1 ASP A 61 -5.818 -14.939 -1.153 1.00 1.00 O ATOM 998 OD2 ASP A 61 -7.299 -16.476 -0.857 1.00 1.00 O ATOM 0 H ASP A 61 -9.021 -11.577 -0.127 1.00 1.00 H new ATOM 0 HA ASP A 61 -8.741 -14.333 0.801 1.00 1.00 H new ATOM 0 HB2 ASP A 61 -8.991 -14.766 -1.619 1.00 1.00 H new ATOM 0 HB3 ASP A 61 -7.793 -13.544 -1.995 1.00 1.00 H new ATOM 1003 N ALA A 62 -6.197 -12.560 -0.233 1.00 1.00 N ATOM 1004 CA ALA A 62 -4.924 -11.967 0.256 1.00 1.00 C ATOM 1005 C ALA A 62 -4.334 -11.035 -0.803 1.00 1.00 C ATOM 1006 O ALA A 62 -4.820 -10.943 -1.912 1.00 1.00 O ATOM 1007 CB ALA A 62 -3.928 -13.087 0.561 1.00 1.00 C ATOM 0 H ALA A 62 -6.306 -12.592 -1.247 1.00 1.00 H new ATOM 0 HA ALA A 62 -5.123 -11.393 1.161 1.00 1.00 H new ATOM 0 HB1 ALA A 62 -2.994 -12.655 0.920 1.00 1.00 H new ATOM 0 HB2 ALA A 62 -4.342 -13.743 1.326 1.00 1.00 H new ATOM 0 HB3 ALA A 62 -3.738 -13.662 -0.346 1.00 1.00 H new ATOM 1013 N PHE A 63 -3.281 -10.344 -0.460 1.00 1.00 N ATOM 1014 CA PHE A 63 -2.637 -9.415 -1.428 1.00 1.00 C ATOM 1015 C PHE A 63 -1.152 -9.298 -1.083 1.00 1.00 C ATOM 1016 O PHE A 63 -0.781 -9.180 0.069 1.00 1.00 O ATOM 1017 CB PHE A 63 -3.305 -8.035 -1.338 1.00 1.00 C ATOM 1018 CG PHE A 63 -4.431 -7.949 -2.342 1.00 1.00 C ATOM 1019 CD1 PHE A 63 -5.692 -8.471 -2.028 1.00 1.00 C ATOM 1020 CD2 PHE A 63 -4.212 -7.350 -3.588 1.00 1.00 C ATOM 1021 CE1 PHE A 63 -6.733 -8.393 -2.960 1.00 1.00 C ATOM 1022 CE2 PHE A 63 -5.254 -7.272 -4.520 1.00 1.00 C ATOM 1023 CZ PHE A 63 -6.514 -7.794 -4.206 1.00 1.00 C ATOM 0 H PHE A 63 -2.837 -10.385 0.457 1.00 1.00 H new ATOM 0 HA PHE A 63 -2.749 -9.796 -2.443 1.00 1.00 H new ATOM 0 HB2 PHE A 63 -3.689 -7.871 -0.331 1.00 1.00 H new ATOM 0 HB3 PHE A 63 -2.572 -7.252 -1.531 1.00 1.00 H new ATOM 0 HD1 PHE A 63 -5.861 -8.934 -1.067 1.00 1.00 H new ATOM 0 HD2 PHE A 63 -3.239 -6.948 -3.830 1.00 1.00 H new ATOM 0 HE1 PHE A 63 -7.706 -8.795 -2.718 1.00 1.00 H new ATOM 0 HE2 PHE A 63 -5.085 -6.809 -5.481 1.00 1.00 H new ATOM 0 HZ PHE A 63 -7.318 -7.735 -4.925 1.00 1.00 H new ATOM 1033 N LEU A 64 -0.302 -9.340 -2.073 1.00 1.00 N ATOM 1034 CA LEU A 64 1.161 -9.242 -1.810 1.00 1.00 C ATOM 1035 C LEU A 64 1.557 -7.776 -1.642 1.00 1.00 C ATOM 1036 O LEU A 64 1.513 -7.004 -2.577 1.00 1.00 O ATOM 1037 CB LEU A 64 1.923 -9.837 -3.000 1.00 1.00 C ATOM 1038 CG LEU A 64 3.361 -10.188 -2.590 1.00 1.00 C ATOM 1039 CD1 LEU A 64 3.956 -11.161 -3.610 1.00 1.00 C ATOM 1040 CD2 LEU A 64 4.218 -8.915 -2.546 1.00 1.00 C ATOM 0 H LEU A 64 -0.559 -9.438 -3.055 1.00 1.00 H new ATOM 0 HA LEU A 64 1.405 -9.789 -0.899 1.00 1.00 H new ATOM 0 HB2 LEU A 64 1.411 -10.730 -3.358 1.00 1.00 H new ATOM 0 HB3 LEU A 64 1.936 -9.125 -3.825 1.00 1.00 H new ATOM 0 HG LEU A 64 3.349 -10.648 -1.602 1.00 1.00 H new ATOM 0 HD11 LEU A 64 4.977 -11.412 -3.321 1.00 1.00 H new ATOM 0 HD12 LEU A 64 3.354 -12.069 -3.641 1.00 1.00 H new ATOM 0 HD13 LEU A 64 3.962 -10.696 -4.596 1.00 1.00 H new ATOM 0 HD21 LEU A 64 5.236 -9.172 -2.254 1.00 1.00 H new ATOM 0 HD22 LEU A 64 4.229 -8.450 -3.532 1.00 1.00 H new ATOM 0 HD23 LEU A 64 3.798 -8.218 -1.821 1.00 1.00 H new ATOM 1052 N LEU A 65 1.948 -7.383 -0.457 1.00 1.00 N ATOM 1053 CA LEU A 65 2.354 -5.963 -0.247 1.00 1.00 C ATOM 1054 C LEU A 65 3.802 -5.905 0.257 1.00 1.00 C ATOM 1055 O LEU A 65 4.170 -6.613 1.173 1.00 1.00 O ATOM 1056 CB LEU A 65 1.453 -5.279 0.793 1.00 1.00 C ATOM 1057 CG LEU A 65 0.458 -6.261 1.400 1.00 1.00 C ATOM 1058 CD1 LEU A 65 0.000 -5.704 2.749 1.00 1.00 C ATOM 1059 CD2 LEU A 65 -0.746 -6.398 0.461 1.00 1.00 C ATOM 0 H LEU A 65 2.003 -7.980 0.368 1.00 1.00 H new ATOM 0 HA LEU A 65 2.260 -5.445 -1.202 1.00 1.00 H new ATOM 0 HB2 LEU A 65 2.069 -4.848 1.583 1.00 1.00 H new ATOM 0 HB3 LEU A 65 0.914 -4.456 0.324 1.00 1.00 H new ATOM 0 HG LEU A 65 0.918 -7.240 1.537 1.00 1.00 H new ATOM 0 HD11 LEU A 65 -0.714 -6.391 3.203 1.00 1.00 H new ATOM 0 HD12 LEU A 65 0.862 -5.589 3.407 1.00 1.00 H new ATOM 0 HD13 LEU A 65 -0.474 -4.734 2.600 1.00 1.00 H new ATOM 0 HD21 LEU A 65 -1.463 -7.099 0.888 1.00 1.00 H new ATOM 0 HD22 LEU A 65 -1.221 -5.425 0.334 1.00 1.00 H new ATOM 0 HD23 LEU A 65 -0.411 -6.767 -0.508 1.00 1.00 H new ATOM 1071 N PRO A 66 4.605 -5.037 -0.304 1.00 1.00 N ATOM 1072 CA PRO A 66 6.013 -4.859 0.138 1.00 1.00 C ATOM 1073 C PRO A 66 6.052 -4.096 1.465 1.00 1.00 C ATOM 1074 O PRO A 66 5.161 -3.326 1.760 1.00 1.00 O ATOM 1075 CB PRO A 66 6.656 -4.044 -0.988 1.00 1.00 C ATOM 1076 CG PRO A 66 5.532 -3.324 -1.658 1.00 1.00 C ATOM 1077 CD PRO A 66 4.261 -4.138 -1.416 1.00 1.00 C ATOM 0 HA PRO A 66 6.533 -5.802 0.310 1.00 1.00 H new ATOM 0 HB2 PRO A 66 7.391 -3.342 -0.593 1.00 1.00 H new ATOM 0 HB3 PRO A 66 7.180 -4.692 -1.691 1.00 1.00 H new ATOM 0 HG2 PRO A 66 5.426 -2.317 -1.254 1.00 1.00 H new ATOM 0 HG3 PRO A 66 5.724 -3.221 -2.726 1.00 1.00 H new ATOM 0 HD2 PRO A 66 3.420 -3.494 -1.160 1.00 1.00 H new ATOM 0 HD3 PRO A 66 3.974 -4.699 -2.305 1.00 1.00 H new ATOM 1085 N GLN A 67 7.047 -4.306 2.280 1.00 1.00 N ATOM 1086 CA GLN A 67 7.085 -3.578 3.583 1.00 1.00 C ATOM 1087 C GLN A 67 8.532 -3.274 3.972 1.00 1.00 C ATOM 1088 O GLN A 67 9.378 -4.147 3.981 1.00 1.00 O ATOM 1089 CB GLN A 67 6.432 -4.438 4.668 1.00 1.00 C ATOM 1090 CG GLN A 67 6.017 -3.552 5.846 1.00 1.00 C ATOM 1091 CD GLN A 67 5.656 -4.432 7.043 1.00 1.00 C ATOM 1092 OE1 GLN A 67 6.177 -5.519 7.192 1.00 1.00 O ATOM 1093 NE2 GLN A 67 4.779 -4.005 7.910 1.00 1.00 N ATOM 0 H GLN A 67 7.827 -4.940 2.106 1.00 1.00 H new ATOM 0 HA GLN A 67 6.540 -2.640 3.483 1.00 1.00 H new ATOM 0 HB2 GLN A 67 5.561 -4.953 4.263 1.00 1.00 H new ATOM 0 HB3 GLN A 67 7.128 -5.206 5.005 1.00 1.00 H new ATOM 0 HG2 GLN A 67 6.830 -2.876 6.110 1.00 1.00 H new ATOM 0 HG3 GLN A 67 5.165 -2.932 5.566 1.00 1.00 H new ATOM 0 HE21 GLN A 67 4.341 -3.092 7.785 1.00 1.00 H new ATOM 0 HE22 GLN A 67 4.531 -4.584 8.712 1.00 1.00 H new ATOM 1102 N CYS A 68 8.821 -2.045 4.302 1.00 1.00 N ATOM 1103 CA CYS A 68 10.215 -1.690 4.701 1.00 1.00 C ATOM 1104 C CYS A 68 10.341 -1.745 6.224 1.00 1.00 C ATOM 1105 O CYS A 68 9.476 -1.283 6.941 1.00 1.00 O ATOM 1106 CB CYS A 68 10.535 -0.277 4.222 1.00 1.00 C ATOM 1107 SG CYS A 68 10.057 -0.111 2.486 1.00 1.00 S ATOM 0 H CYS A 68 8.155 -1.272 4.313 1.00 1.00 H new ATOM 0 HA CYS A 68 10.911 -2.398 4.251 1.00 1.00 H new ATOM 0 HB2 CYS A 68 10.002 0.455 4.829 1.00 1.00 H new ATOM 0 HB3 CYS A 68 11.599 -0.073 4.339 1.00 1.00 H new ATOM 1112 N ASP A 69 11.409 -2.310 6.728 1.00 1.00 N ATOM 1113 CA ASP A 69 11.580 -2.393 8.212 1.00 1.00 C ATOM 1114 C ASP A 69 13.020 -2.040 8.599 1.00 1.00 C ATOM 1115 O ASP A 69 13.966 -2.632 8.119 1.00 1.00 O ATOM 1116 CB ASP A 69 11.266 -3.816 8.679 1.00 1.00 C ATOM 1117 CG ASP A 69 11.436 -3.906 10.195 1.00 1.00 C ATOM 1118 OD1 ASP A 69 12.538 -4.195 10.632 1.00 1.00 O ATOM 1119 OD2 ASP A 69 10.462 -3.683 10.896 1.00 1.00 O ATOM 0 H ASP A 69 12.167 -2.716 6.180 1.00 1.00 H new ATOM 0 HA ASP A 69 10.900 -1.687 8.688 1.00 1.00 H new ATOM 0 HB2 ASP A 69 10.247 -4.085 8.400 1.00 1.00 H new ATOM 0 HB3 ASP A 69 11.929 -4.526 8.186 1.00 1.00 H new ATOM 1124 N ARG A 70 13.192 -1.081 9.472 1.00 1.00 N ATOM 1125 CA ARG A 70 14.567 -0.694 9.899 1.00 1.00 C ATOM 1126 C ARG A 70 15.168 -1.815 10.750 1.00 1.00 C ATOM 1127 O ARG A 70 14.476 -2.486 11.490 1.00 1.00 O ATOM 1128 CB ARG A 70 14.505 0.601 10.719 1.00 1.00 C ATOM 1129 CG ARG A 70 13.872 0.325 12.095 1.00 1.00 C ATOM 1130 CD ARG A 70 14.966 0.149 13.156 1.00 1.00 C ATOM 1131 NE ARG A 70 14.446 -0.697 14.267 1.00 1.00 N ATOM 1132 CZ ARG A 70 13.669 -0.176 15.177 1.00 1.00 C ATOM 1133 NH1 ARG A 70 13.346 1.087 15.112 1.00 1.00 N ATOM 1134 NH2 ARG A 70 13.213 -0.917 16.149 1.00 1.00 N ATOM 0 H ARG A 70 12.438 -0.550 9.907 1.00 1.00 H new ATOM 0 HA ARG A 70 15.190 -0.532 9.020 1.00 1.00 H new ATOM 0 HB2 ARG A 70 15.508 1.009 10.846 1.00 1.00 H new ATOM 0 HB3 ARG A 70 13.922 1.351 10.185 1.00 1.00 H new ATOM 0 HG2 ARG A 70 13.215 1.149 12.373 1.00 1.00 H new ATOM 0 HG3 ARG A 70 13.255 -0.572 12.046 1.00 1.00 H new ATOM 0 HD2 ARG A 70 15.847 -0.315 12.712 1.00 1.00 H new ATOM 0 HD3 ARG A 70 15.276 1.121 13.539 1.00 1.00 H new ATOM 0 HE ARG A 70 14.698 -1.684 14.316 1.00 1.00 H new ATOM 0 HH11 ARG A 70 13.701 1.666 14.351 1.00 1.00 H new ATOM 0 HH12 ARG A 70 12.739 1.495 15.823 1.00 1.00 H new ATOM 0 HH21 ARG A 70 13.464 -1.904 16.198 1.00 1.00 H new ATOM 0 HH22 ARG A 70 12.606 -0.509 16.860 1.00 1.00 H new ATOM 1148 N ILE A 71 16.453 -2.024 10.651 1.00 1.00 N ATOM 1149 CA ILE A 71 17.099 -3.102 11.453 1.00 1.00 C ATOM 1150 C ILE A 71 18.523 -2.677 11.818 1.00 1.00 C ATOM 1151 O ILE A 71 19.004 -2.954 12.899 1.00 1.00 O ATOM 1152 CB ILE A 71 17.149 -4.393 10.632 1.00 1.00 C ATOM 1153 CG1 ILE A 71 15.758 -4.690 10.065 1.00 1.00 C ATOM 1154 CG2 ILE A 71 17.593 -5.552 11.529 1.00 1.00 C ATOM 1155 CD1 ILE A 71 15.756 -6.070 9.405 1.00 1.00 C ATOM 0 H ILE A 71 17.084 -1.494 10.049 1.00 1.00 H new ATOM 0 HA ILE A 71 16.523 -3.273 12.362 1.00 1.00 H new ATOM 0 HB ILE A 71 17.858 -4.276 9.813 1.00 1.00 H new ATOM 0 HG12 ILE A 71 15.015 -4.656 10.862 1.00 1.00 H new ATOM 0 HG13 ILE A 71 15.481 -3.927 9.337 1.00 1.00 H new ATOM 0 HG21 ILE A 71 17.629 -6.471 10.945 1.00 1.00 H new ATOM 0 HG22 ILE A 71 18.583 -5.341 11.933 1.00 1.00 H new ATOM 0 HG23 ILE A 71 16.884 -5.670 12.348 1.00 1.00 H new ATOM 0 HD11 ILE A 71 14.765 -6.279 9.002 1.00 1.00 H new ATOM 0 HD12 ILE A 71 16.487 -6.088 8.597 1.00 1.00 H new ATOM 0 HD13 ILE A 71 16.014 -6.828 10.145 1.00 1.00 H new ATOM 1167 N LYS A 72 19.203 -2.013 10.921 1.00 1.00 N ATOM 1168 CA LYS A 72 20.603 -1.576 11.211 1.00 1.00 C ATOM 1169 C LYS A 72 20.792 -0.121 10.774 1.00 1.00 C ATOM 1170 O LYS A 72 19.978 0.439 10.068 1.00 1.00 O ATOM 1171 CB LYS A 72 21.581 -2.466 10.443 1.00 1.00 C ATOM 1172 CG LYS A 72 21.302 -3.934 10.770 1.00 1.00 C ATOM 1173 CD LYS A 72 22.209 -4.828 9.921 1.00 1.00 C ATOM 1174 CE LYS A 72 21.850 -6.296 10.162 1.00 1.00 C ATOM 1175 NZ LYS A 72 22.326 -6.709 11.511 1.00 1.00 N ATOM 0 H LYS A 72 18.851 -1.754 10.000 1.00 1.00 H new ATOM 0 HA LYS A 72 20.792 -1.659 12.281 1.00 1.00 H new ATOM 0 HB2 LYS A 72 21.479 -2.296 9.371 1.00 1.00 H new ATOM 0 HB3 LYS A 72 22.607 -2.212 10.710 1.00 1.00 H new ATOM 0 HG2 LYS A 72 21.478 -4.121 11.829 1.00 1.00 H new ATOM 0 HG3 LYS A 72 20.256 -4.169 10.574 1.00 1.00 H new ATOM 0 HD2 LYS A 72 22.093 -4.583 8.865 1.00 1.00 H new ATOM 0 HD3 LYS A 72 23.254 -4.651 10.177 1.00 1.00 H new ATOM 0 HE2 LYS A 72 20.771 -6.435 10.087 1.00 1.00 H new ATOM 0 HE3 LYS A 72 22.306 -6.923 9.396 1.00 1.00 H new ATOM 0 HZ1 LYS A 72 22.221 -7.738 11.616 1.00 1.00 H new ATOM 0 HZ2 LYS A 72 23.327 -6.450 11.620 1.00 1.00 H new ATOM 0 HZ3 LYS A 72 21.763 -6.227 12.240 1.00 1.00 H new ATOM 1189 N LEU A 73 21.870 0.491 11.190 1.00 1.00 N ATOM 1190 CA LEU A 73 22.128 1.909 10.805 1.00 1.00 C ATOM 1191 C LEU A 73 20.884 2.752 11.130 1.00 1.00 C ATOM 1192 O LEU A 73 19.874 2.224 11.548 1.00 1.00 O ATOM 1193 CB LEU A 73 22.448 1.973 9.305 1.00 1.00 C ATOM 1194 CG LEU A 73 23.250 0.731 8.897 1.00 1.00 C ATOM 1195 CD1 LEU A 73 23.695 0.864 7.439 1.00 1.00 C ATOM 1196 CD2 LEU A 73 24.486 0.607 9.794 1.00 1.00 C ATOM 0 H LEU A 73 22.585 0.068 11.782 1.00 1.00 H new ATOM 0 HA LEU A 73 22.977 2.305 11.362 1.00 1.00 H new ATOM 0 HB2 LEU A 73 21.525 2.028 8.728 1.00 1.00 H new ATOM 0 HB3 LEU A 73 23.017 2.875 9.082 1.00 1.00 H new ATOM 0 HG LEU A 73 22.626 -0.156 9.007 1.00 1.00 H new ATOM 0 HD11 LEU A 73 24.265 -0.019 7.150 1.00 1.00 H new ATOM 0 HD12 LEU A 73 22.818 0.956 6.798 1.00 1.00 H new ATOM 0 HD13 LEU A 73 24.319 1.751 7.329 1.00 1.00 H new ATOM 0 HD21 LEU A 73 25.058 -0.275 9.506 1.00 1.00 H new ATOM 0 HD22 LEU A 73 25.108 1.495 9.681 1.00 1.00 H new ATOM 0 HD23 LEU A 73 24.173 0.513 10.834 1.00 1.00 H new ATOM 1208 N PRO A 74 20.951 4.052 10.956 1.00 1.00 N ATOM 1209 CA PRO A 74 19.815 4.957 11.252 1.00 1.00 C ATOM 1210 C PRO A 74 18.916 5.196 10.033 1.00 1.00 C ATOM 1211 O PRO A 74 17.815 5.694 10.153 1.00 1.00 O ATOM 1212 CB PRO A 74 20.516 6.251 11.671 1.00 1.00 C ATOM 1213 CG PRO A 74 21.830 6.255 10.940 1.00 1.00 C ATOM 1214 CD PRO A 74 22.105 4.817 10.463 1.00 1.00 C ATOM 0 HA PRO A 74 19.146 4.547 12.008 1.00 1.00 H new ATOM 0 HB2 PRO A 74 19.918 7.124 11.407 1.00 1.00 H new ATOM 0 HB3 PRO A 74 20.668 6.283 12.750 1.00 1.00 H new ATOM 0 HG2 PRO A 74 21.794 6.939 10.092 1.00 1.00 H new ATOM 0 HG3 PRO A 74 22.630 6.601 11.594 1.00 1.00 H new ATOM 0 HD2 PRO A 74 22.184 4.765 9.377 1.00 1.00 H new ATOM 0 HD3 PRO A 74 23.041 4.434 10.869 1.00 1.00 H new ATOM 1222 N CYS A 75 19.378 4.846 8.860 1.00 1.00 N ATOM 1223 CA CYS A 75 18.548 5.056 7.637 1.00 1.00 C ATOM 1224 C CYS A 75 18.693 3.852 6.703 1.00 1.00 C ATOM 1225 O CYS A 75 19.038 3.989 5.545 1.00 1.00 O ATOM 1226 CB CYS A 75 19.011 6.326 6.918 1.00 1.00 C ATOM 1227 SG CYS A 75 17.705 6.893 5.800 1.00 1.00 S ATOM 0 H CYS A 75 20.292 4.425 8.697 1.00 1.00 H new ATOM 0 HA CYS A 75 17.502 5.163 7.923 1.00 1.00 H new ATOM 0 HB2 CYS A 75 19.246 7.104 7.645 1.00 1.00 H new ATOM 0 HB3 CYS A 75 19.924 6.127 6.357 1.00 1.00 H new ATOM 1232 N HIS A 76 18.424 2.675 7.198 1.00 1.00 N ATOM 1233 CA HIS A 76 18.530 1.452 6.350 1.00 1.00 C ATOM 1234 C HIS A 76 17.336 0.545 6.648 1.00 1.00 C ATOM 1235 O HIS A 76 16.918 0.417 7.782 1.00 1.00 O ATOM 1236 CB HIS A 76 19.831 0.714 6.674 1.00 1.00 C ATOM 1237 CG HIS A 76 20.080 -0.342 5.633 1.00 1.00 C ATOM 1238 ND1 HIS A 76 20.279 -0.029 4.295 1.00 1.00 N ATOM 1239 CD2 HIS A 76 20.167 -1.711 5.717 1.00 1.00 C ATOM 1240 CE1 HIS A 76 20.473 -1.186 3.633 1.00 1.00 C ATOM 1241 NE2 HIS A 76 20.413 -2.236 4.453 1.00 1.00 N ATOM 0 H HIS A 76 18.133 2.506 8.161 1.00 1.00 H new ATOM 0 HA HIS A 76 18.532 1.729 5.296 1.00 1.00 H new ATOM 0 HB2 HIS A 76 20.664 1.417 6.701 1.00 1.00 H new ATOM 0 HB3 HIS A 76 19.767 0.258 7.662 1.00 1.00 H new ATOM 0 HD2 HIS A 76 20.061 -2.289 6.623 1.00 1.00 H new ATOM 0 HE1 HIS A 76 20.655 -1.255 2.571 1.00 1.00 H new ATOM 0 HE2 HIS A 76 20.524 -3.219 4.205 1.00 1.00 H new ATOM 1250 N TYR A 77 16.770 -0.072 5.644 1.00 1.00 N ATOM 1251 CA TYR A 77 15.587 -0.953 5.883 1.00 1.00 C ATOM 1252 C TYR A 77 15.717 -2.244 5.076 1.00 1.00 C ATOM 1253 O TYR A 77 16.418 -2.306 4.086 1.00 1.00 O ATOM 1254 CB TYR A 77 14.312 -0.212 5.463 1.00 1.00 C ATOM 1255 CG TYR A 77 14.541 1.275 5.582 1.00 1.00 C ATOM 1256 CD1 TYR A 77 15.086 1.985 4.505 1.00 1.00 C ATOM 1257 CD2 TYR A 77 14.214 1.941 6.769 1.00 1.00 C ATOM 1258 CE1 TYR A 77 15.304 3.362 4.616 1.00 1.00 C ATOM 1259 CE2 TYR A 77 14.434 3.319 6.879 1.00 1.00 C ATOM 1260 CZ TYR A 77 14.978 4.029 5.803 1.00 1.00 C ATOM 1261 OH TYR A 77 15.193 5.385 5.912 1.00 1.00 O ATOM 0 H TYR A 77 17.074 -0.005 4.673 1.00 1.00 H new ATOM 0 HA TYR A 77 15.537 -1.204 6.943 1.00 1.00 H new ATOM 0 HB2 TYR A 77 14.048 -0.471 4.438 1.00 1.00 H new ATOM 0 HB3 TYR A 77 13.476 -0.515 6.094 1.00 1.00 H new ATOM 0 HD1 TYR A 77 15.338 1.470 3.590 1.00 1.00 H new ATOM 0 HD2 TYR A 77 13.793 1.393 7.599 1.00 1.00 H new ATOM 0 HE1 TYR A 77 15.724 3.911 3.786 1.00 1.00 H new ATOM 0 HE2 TYR A 77 14.184 3.834 7.795 1.00 1.00 H new ATOM 0 HH TYR A 77 16.069 5.545 6.321 1.00 1.00 H new ATOM 1271 N LYS A 78 15.027 -3.272 5.493 1.00 1.00 N ATOM 1272 CA LYS A 78 15.082 -4.567 4.759 1.00 1.00 C ATOM 1273 C LYS A 78 13.762 -4.760 4.012 1.00 1.00 C ATOM 1274 O LYS A 78 12.750 -4.178 4.363 1.00 1.00 O ATOM 1275 CB LYS A 78 15.284 -5.717 5.755 1.00 1.00 C ATOM 1276 CG LYS A 78 15.566 -7.030 4.999 1.00 1.00 C ATOM 1277 CD LYS A 78 14.277 -7.857 4.865 1.00 1.00 C ATOM 1278 CE LYS A 78 14.100 -8.749 6.096 1.00 1.00 C ATOM 1279 NZ LYS A 78 14.575 -8.026 7.310 1.00 1.00 N ATOM 0 H LYS A 78 14.424 -3.269 6.316 1.00 1.00 H new ATOM 0 HA LYS A 78 15.913 -4.560 4.053 1.00 1.00 H new ATOM 0 HB2 LYS A 78 16.114 -5.488 6.423 1.00 1.00 H new ATOM 0 HB3 LYS A 78 14.396 -5.830 6.377 1.00 1.00 H new ATOM 0 HG2 LYS A 78 15.969 -6.809 4.010 1.00 1.00 H new ATOM 0 HG3 LYS A 78 16.323 -7.608 5.530 1.00 1.00 H new ATOM 0 HD2 LYS A 78 13.418 -7.194 4.759 1.00 1.00 H new ATOM 0 HD3 LYS A 78 14.320 -8.469 3.964 1.00 1.00 H new ATOM 0 HE2 LYS A 78 13.051 -9.024 6.211 1.00 1.00 H new ATOM 0 HE3 LYS A 78 14.660 -9.676 5.970 1.00 1.00 H new ATOM 0 HZ1 LYS A 78 14.470 -8.640 8.143 1.00 1.00 H new ATOM 0 HZ2 LYS A 78 15.576 -7.771 7.192 1.00 1.00 H new ATOM 0 HZ3 LYS A 78 14.011 -7.163 7.443 1.00 1.00 H new ATOM 1293 N LEU A 79 13.767 -5.563 2.983 1.00 1.00 N ATOM 1294 CA LEU A 79 12.519 -5.791 2.200 1.00 1.00 C ATOM 1295 C LEU A 79 11.753 -6.978 2.789 1.00 1.00 C ATOM 1296 O LEU A 79 12.274 -8.069 2.917 1.00 1.00 O ATOM 1297 CB LEU A 79 12.893 -6.087 0.740 1.00 1.00 C ATOM 1298 CG LEU A 79 11.771 -5.632 -0.207 1.00 1.00 C ATOM 1299 CD1 LEU A 79 10.442 -6.255 0.228 1.00 1.00 C ATOM 1300 CD2 LEU A 79 11.652 -4.098 -0.189 1.00 1.00 C ATOM 0 H LEU A 79 14.585 -6.073 2.650 1.00 1.00 H new ATOM 0 HA LEU A 79 11.888 -4.904 2.244 1.00 1.00 H new ATOM 0 HB2 LEU A 79 13.821 -5.575 0.486 1.00 1.00 H new ATOM 0 HB3 LEU A 79 13.073 -7.155 0.614 1.00 1.00 H new ATOM 0 HG LEU A 79 12.010 -5.958 -1.219 1.00 1.00 H new ATOM 0 HD11 LEU A 79 9.650 -5.930 -0.446 1.00 1.00 H new ATOM 0 HD12 LEU A 79 10.522 -7.342 0.196 1.00 1.00 H new ATOM 0 HD13 LEU A 79 10.207 -5.938 1.244 1.00 1.00 H new ATOM 0 HD21 LEU A 79 10.854 -3.787 -0.863 1.00 1.00 H new ATOM 0 HD22 LEU A 79 11.423 -3.763 0.823 1.00 1.00 H new ATOM 0 HD23 LEU A 79 12.594 -3.656 -0.513 1.00 1.00 H new ATOM 1312 N SER A 80 10.513 -6.772 3.142 1.00 1.00 N ATOM 1313 CA SER A 80 9.696 -7.880 3.716 1.00 1.00 C ATOM 1314 C SER A 80 8.269 -7.772 3.174 1.00 1.00 C ATOM 1315 O SER A 80 7.581 -6.799 3.407 1.00 1.00 O ATOM 1316 CB SER A 80 9.677 -7.760 5.241 1.00 1.00 C ATOM 1317 OG SER A 80 8.454 -8.285 5.740 1.00 1.00 O ATOM 0 H SER A 80 10.028 -5.879 3.057 1.00 1.00 H new ATOM 0 HA SER A 80 10.125 -8.843 3.438 1.00 1.00 H new ATOM 0 HB2 SER A 80 10.520 -8.302 5.670 1.00 1.00 H new ATOM 0 HB3 SER A 80 9.785 -6.716 5.536 1.00 1.00 H new ATOM 0 HG SER A 80 8.440 -8.210 6.717 1.00 1.00 H new ATOM 1323 N SER A 81 7.823 -8.760 2.442 1.00 1.00 N ATOM 1324 CA SER A 81 6.443 -8.709 1.872 1.00 1.00 C ATOM 1325 C SER A 81 5.710 -10.014 2.179 1.00 1.00 C ATOM 1326 O SER A 81 6.313 -11.021 2.491 1.00 1.00 O ATOM 1327 CB SER A 81 6.531 -8.522 0.356 1.00 1.00 C ATOM 1328 OG SER A 81 6.587 -9.798 -0.271 1.00 1.00 O ATOM 0 H SER A 81 8.355 -9.600 2.214 1.00 1.00 H new ATOM 0 HA SER A 81 5.898 -7.876 2.316 1.00 1.00 H new ATOM 0 HB2 SER A 81 5.667 -7.964 -0.004 1.00 1.00 H new ATOM 0 HB3 SER A 81 7.416 -7.939 0.100 1.00 1.00 H new ATOM 0 HG SER A 81 7.097 -9.731 -1.105 1.00 1.00 H new ATOM 1334 N SER A 82 4.407 -10.004 2.088 1.00 1.00 N ATOM 1335 CA SER A 82 3.629 -11.242 2.369 1.00 1.00 C ATOM 1336 C SER A 82 2.228 -11.099 1.787 1.00 1.00 C ATOM 1337 O SER A 82 1.788 -10.015 1.454 1.00 1.00 O ATOM 1338 CB SER A 82 3.539 -11.464 3.879 1.00 1.00 C ATOM 1339 OG SER A 82 2.659 -10.501 4.444 1.00 1.00 O ATOM 0 H SER A 82 3.848 -9.190 1.831 1.00 1.00 H new ATOM 0 HA SER A 82 4.128 -12.097 1.912 1.00 1.00 H new ATOM 0 HB2 SER A 82 3.178 -12.471 4.089 1.00 1.00 H new ATOM 0 HB3 SER A 82 4.528 -11.379 4.330 1.00 1.00 H new ATOM 0 HG SER A 82 2.598 -10.642 5.412 1.00 1.00 H new ATOM 1345 N THR A 83 1.530 -12.191 1.645 1.00 1.00 N ATOM 1346 CA THR A 83 0.169 -12.144 1.070 1.00 1.00 C ATOM 1347 C THR A 83 -0.870 -12.312 2.181 1.00 1.00 C ATOM 1348 O THR A 83 -0.892 -13.307 2.879 1.00 1.00 O ATOM 1349 CB THR A 83 0.055 -13.287 0.065 1.00 1.00 C ATOM 1350 OG1 THR A 83 1.045 -14.265 0.356 1.00 1.00 O ATOM 1351 CG2 THR A 83 0.274 -12.749 -1.348 1.00 1.00 C ATOM 0 H THR A 83 1.854 -13.122 1.908 1.00 1.00 H new ATOM 0 HA THR A 83 -0.011 -11.187 0.580 1.00 1.00 H new ATOM 0 HB THR A 83 -0.936 -13.735 0.132 1.00 1.00 H new ATOM 0 HG1 THR A 83 0.975 -15.002 -0.286 1.00 1.00 H new ATOM 0 HG21 THR A 83 0.192 -13.566 -2.065 1.00 1.00 H new ATOM 0 HG22 THR A 83 -0.480 -11.994 -1.571 1.00 1.00 H new ATOM 0 HG23 THR A 83 1.266 -12.303 -1.418 1.00 1.00 H new ATOM 1359 N ASN A 84 -1.734 -11.349 2.347 1.00 1.00 N ATOM 1360 CA ASN A 84 -2.773 -11.458 3.410 1.00 1.00 C ATOM 1361 C ASN A 84 -3.925 -10.502 3.098 1.00 1.00 C ATOM 1362 O ASN A 84 -3.751 -9.514 2.411 1.00 1.00 O ATOM 1363 CB ASN A 84 -2.157 -11.091 4.762 1.00 1.00 C ATOM 1364 CG ASN A 84 -3.245 -11.094 5.838 1.00 1.00 C ATOM 1365 OD1 ASN A 84 -4.279 -11.709 5.672 1.00 1.00 O ATOM 1366 ND2 ASN A 84 -3.052 -10.427 6.943 1.00 1.00 N ATOM 0 H ASN A 84 -1.766 -10.493 1.794 1.00 1.00 H new ATOM 0 HA ASN A 84 -3.150 -12.480 3.447 1.00 1.00 H new ATOM 0 HB2 ASN A 84 -1.373 -11.802 5.021 1.00 1.00 H new ATOM 0 HB3 ASN A 84 -1.690 -10.108 4.706 1.00 1.00 H new ATOM 0 HD21 ASN A 84 -3.770 -10.422 7.668 1.00 1.00 H new ATOM 0 HD22 ASN A 84 -2.183 -9.911 7.082 1.00 1.00 H new ATOM 1373 N THR A 85 -5.104 -10.785 3.591 1.00 1.00 N ATOM 1374 CA THR A 85 -6.260 -9.892 3.317 1.00 1.00 C ATOM 1375 C THR A 85 -5.993 -8.532 3.966 1.00 1.00 C ATOM 1376 O THR A 85 -5.290 -8.436 4.951 1.00 1.00 O ATOM 1377 CB THR A 85 -7.528 -10.519 3.913 1.00 1.00 C ATOM 1378 OG1 THR A 85 -7.242 -11.849 4.326 1.00 1.00 O ATOM 1379 CG2 THR A 85 -8.641 -10.542 2.865 1.00 1.00 C ATOM 0 H THR A 85 -5.312 -11.598 4.171 1.00 1.00 H new ATOM 0 HA THR A 85 -6.396 -9.762 2.243 1.00 1.00 H new ATOM 0 HB THR A 85 -7.855 -9.927 4.768 1.00 1.00 H new ATOM 0 HG1 THR A 85 -7.074 -12.407 3.538 1.00 1.00 H new ATOM 0 HG21 THR A 85 -9.537 -10.988 3.296 1.00 1.00 H new ATOM 0 HG22 THR A 85 -8.861 -9.523 2.545 1.00 1.00 H new ATOM 0 HG23 THR A 85 -8.320 -11.131 2.006 1.00 1.00 H new ATOM 1387 N ILE A 86 -6.528 -7.478 3.410 1.00 1.00 N ATOM 1388 CA ILE A 86 -6.283 -6.124 3.986 1.00 1.00 C ATOM 1389 C ILE A 86 -7.603 -5.347 4.059 1.00 1.00 C ATOM 1390 O ILE A 86 -8.496 -5.545 3.259 1.00 1.00 O ATOM 1391 CB ILE A 86 -5.268 -5.380 3.092 1.00 1.00 C ATOM 1392 CG1 ILE A 86 -5.978 -4.311 2.244 1.00 1.00 C ATOM 1393 CG2 ILE A 86 -4.583 -6.386 2.160 1.00 1.00 C ATOM 1394 CD1 ILE A 86 -5.019 -3.770 1.183 1.00 1.00 C ATOM 0 H ILE A 86 -7.124 -7.496 2.582 1.00 1.00 H new ATOM 0 HA ILE A 86 -5.879 -6.213 4.994 1.00 1.00 H new ATOM 0 HB ILE A 86 -4.530 -4.893 3.729 1.00 1.00 H new ATOM 0 HG12 ILE A 86 -6.859 -4.739 1.766 1.00 1.00 H new ATOM 0 HG13 ILE A 86 -6.324 -3.498 2.882 1.00 1.00 H new ATOM 0 HG21 ILE A 86 -3.865 -5.865 1.527 1.00 1.00 H new ATOM 0 HG22 ILE A 86 -4.064 -7.138 2.755 1.00 1.00 H new ATOM 0 HG23 ILE A 86 -5.332 -6.872 1.535 1.00 1.00 H new ATOM 0 HD11 ILE A 86 -5.527 -3.013 0.585 1.00 1.00 H new ATOM 0 HD12 ILE A 86 -4.151 -3.325 1.670 1.00 1.00 H new ATOM 0 HD13 ILE A 86 -4.694 -4.585 0.536 1.00 1.00 H new ATOM 1406 N CYS A 87 -7.717 -4.451 5.001 1.00 1.00 N ATOM 1407 CA CYS A 87 -8.957 -3.638 5.127 1.00 1.00 C ATOM 1408 C CYS A 87 -8.633 -2.218 4.662 1.00 1.00 C ATOM 1409 O CYS A 87 -7.607 -1.668 5.006 1.00 1.00 O ATOM 1410 CB CYS A 87 -9.401 -3.629 6.594 1.00 1.00 C ATOM 1411 SG CYS A 87 -11.124 -3.095 6.719 1.00 1.00 S ATOM 0 H CYS A 87 -6.997 -4.247 5.694 1.00 1.00 H new ATOM 0 HA CYS A 87 -9.763 -4.052 4.521 1.00 1.00 H new ATOM 0 HB2 CYS A 87 -9.289 -4.625 7.022 1.00 1.00 H new ATOM 0 HB3 CYS A 87 -8.762 -2.960 7.171 1.00 1.00 H new ATOM 1416 N ILE A 88 -9.471 -1.627 3.856 1.00 1.00 N ATOM 1417 CA ILE A 88 -9.169 -0.253 3.359 1.00 1.00 C ATOM 1418 C ILE A 88 -10.474 0.535 3.205 1.00 1.00 C ATOM 1419 O ILE A 88 -11.542 -0.032 3.089 1.00 1.00 O ATOM 1420 CB ILE A 88 -8.426 -0.361 2.007 1.00 1.00 C ATOM 1421 CG1 ILE A 88 -8.974 0.659 0.998 1.00 1.00 C ATOM 1422 CG2 ILE A 88 -8.601 -1.769 1.429 1.00 1.00 C ATOM 1423 CD1 ILE A 88 -8.126 0.641 -0.278 1.00 1.00 C ATOM 0 H ILE A 88 -10.346 -2.031 3.521 1.00 1.00 H new ATOM 0 HA ILE A 88 -8.533 0.275 4.070 1.00 1.00 H new ATOM 0 HB ILE A 88 -7.370 -0.156 2.185 1.00 1.00 H new ATOM 0 HG12 ILE A 88 -10.011 0.425 0.759 1.00 1.00 H new ATOM 0 HG13 ILE A 88 -8.966 1.657 1.436 1.00 1.00 H new ATOM 0 HG21 ILE A 88 -8.076 -1.839 0.477 1.00 1.00 H new ATOM 0 HG22 ILE A 88 -8.191 -2.501 2.124 1.00 1.00 H new ATOM 0 HG23 ILE A 88 -9.661 -1.970 1.274 1.00 1.00 H new ATOM 0 HD11 ILE A 88 -8.522 1.367 -0.988 1.00 1.00 H new ATOM 0 HD12 ILE A 88 -7.095 0.897 -0.033 1.00 1.00 H new ATOM 0 HD13 ILE A 88 -8.157 -0.354 -0.722 1.00 1.00 H new ATOM 1435 N THR A 89 -10.393 1.842 3.198 1.00 1.00 N ATOM 1436 CA THR A 89 -11.625 2.668 3.042 1.00 1.00 C ATOM 1437 C THR A 89 -11.697 3.186 1.604 1.00 1.00 C ATOM 1438 O THR A 89 -10.769 3.804 1.108 1.00 1.00 O ATOM 1439 CB THR A 89 -11.581 3.842 4.028 1.00 1.00 C ATOM 1440 OG1 THR A 89 -12.018 3.397 5.305 1.00 1.00 O ATOM 1441 CG2 THR A 89 -12.494 4.972 3.543 1.00 1.00 C ATOM 0 H THR A 89 -9.526 2.371 3.294 1.00 1.00 H new ATOM 0 HA THR A 89 -12.509 2.066 3.252 1.00 1.00 H new ATOM 0 HB THR A 89 -10.559 4.215 4.095 1.00 1.00 H new ATOM 0 HG1 THR A 89 -11.990 4.144 5.939 1.00 1.00 H new ATOM 0 HG21 THR A 89 -12.455 5.800 4.251 1.00 1.00 H new ATOM 0 HG22 THR A 89 -12.160 5.315 2.564 1.00 1.00 H new ATOM 0 HG23 THR A 89 -13.518 4.606 3.469 1.00 1.00 H new ATOM 1449 N CYS A 90 -12.791 2.926 0.933 1.00 1.00 N ATOM 1450 CA CYS A 90 -12.947 3.382 -0.481 1.00 1.00 C ATOM 1451 C CYS A 90 -14.202 4.251 -0.608 1.00 1.00 C ATOM 1452 O CYS A 90 -15.224 3.972 -0.013 1.00 1.00 O ATOM 1453 CB CYS A 90 -13.076 2.155 -1.389 1.00 1.00 C ATOM 1454 SG CYS A 90 -12.500 2.572 -3.052 1.00 1.00 S ATOM 0 H CYS A 90 -13.589 2.413 1.308 1.00 1.00 H new ATOM 0 HA CYS A 90 -12.077 3.969 -0.776 1.00 1.00 H new ATOM 0 HB2 CYS A 90 -12.491 1.328 -0.986 1.00 1.00 H new ATOM 0 HB3 CYS A 90 -14.114 1.823 -1.425 1.00 1.00 H new ATOM 1459 N VAL A 91 -14.131 5.302 -1.382 1.00 1.00 N ATOM 1460 CA VAL A 91 -15.313 6.193 -1.549 1.00 1.00 C ATOM 1461 C VAL A 91 -16.290 5.571 -2.553 1.00 1.00 C ATOM 1462 O VAL A 91 -16.366 4.368 -2.694 1.00 1.00 O ATOM 1463 CB VAL A 91 -14.839 7.567 -2.051 1.00 1.00 C ATOM 1464 CG1 VAL A 91 -14.488 7.490 -3.546 1.00 1.00 C ATOM 1465 CG2 VAL A 91 -15.946 8.616 -1.821 1.00 1.00 C ATOM 0 H VAL A 91 -13.302 5.581 -1.907 1.00 1.00 H new ATOM 0 HA VAL A 91 -15.823 6.314 -0.594 1.00 1.00 H new ATOM 0 HB VAL A 91 -13.948 7.861 -1.496 1.00 1.00 H new ATOM 0 HG11 VAL A 91 -14.153 8.468 -3.892 1.00 1.00 H new ATOM 0 HG12 VAL A 91 -13.692 6.760 -3.696 1.00 1.00 H new ATOM 0 HG13 VAL A 91 -15.369 7.187 -4.111 1.00 1.00 H new ATOM 0 HG21 VAL A 91 -15.606 9.588 -2.178 1.00 1.00 H new ATOM 0 HG22 VAL A 91 -16.844 8.323 -2.366 1.00 1.00 H new ATOM 0 HG23 VAL A 91 -16.172 8.679 -0.757 1.00 1.00 H new ATOM 1475 N ASN A 92 -17.040 6.385 -3.248 1.00 1.00 N ATOM 1476 CA ASN A 92 -18.018 5.852 -4.240 1.00 1.00 C ATOM 1477 C ASN A 92 -17.371 4.755 -5.074 1.00 1.00 C ATOM 1478 O ASN A 92 -17.996 3.784 -5.451 1.00 1.00 O ATOM 1479 CB ASN A 92 -18.475 6.988 -5.157 1.00 1.00 C ATOM 1480 CG ASN A 92 -19.801 6.612 -5.823 1.00 1.00 C ATOM 1481 OD1 ASN A 92 -20.219 5.473 -5.771 1.00 1.00 O ATOM 1482 ND2 ASN A 92 -20.483 7.530 -6.453 1.00 1.00 N ATOM 0 H ASN A 92 -17.017 7.402 -3.170 1.00 1.00 H new ATOM 0 HA ASN A 92 -18.876 5.436 -3.711 1.00 1.00 H new ATOM 0 HB2 ASN A 92 -18.593 7.907 -4.583 1.00 1.00 H new ATOM 0 HB3 ASN A 92 -17.718 7.182 -5.917 1.00 1.00 H new ATOM 0 HD21 ASN A 92 -21.367 7.291 -6.902 1.00 1.00 H new ATOM 0 HD22 ASN A 92 -20.132 8.487 -6.496 1.00 1.00 H new ATOM 1489 N GLN A 93 -16.123 4.914 -5.359 1.00 1.00 N ATOM 1490 CA GLN A 93 -15.396 3.897 -6.170 1.00 1.00 C ATOM 1491 C GLN A 93 -13.947 4.345 -6.359 1.00 1.00 C ATOM 1492 O GLN A 93 -13.415 4.319 -7.449 1.00 1.00 O ATOM 1493 CB GLN A 93 -16.068 3.753 -7.539 1.00 1.00 C ATOM 1494 CG GLN A 93 -16.412 5.139 -8.089 1.00 1.00 C ATOM 1495 CD GLN A 93 -16.727 5.033 -9.582 1.00 1.00 C ATOM 1496 OE1 GLN A 93 -15.937 5.437 -10.412 1.00 1.00 O ATOM 1497 NE2 GLN A 93 -17.857 4.501 -9.962 1.00 1.00 N ATOM 0 H GLN A 93 -15.560 5.712 -5.065 1.00 1.00 H new ATOM 0 HA GLN A 93 -15.419 2.937 -5.655 1.00 1.00 H new ATOM 0 HB2 GLN A 93 -15.404 3.231 -8.228 1.00 1.00 H new ATOM 0 HB3 GLN A 93 -16.972 3.151 -7.450 1.00 1.00 H new ATOM 0 HG2 GLN A 93 -17.268 5.552 -7.555 1.00 1.00 H new ATOM 0 HG3 GLN A 93 -15.578 5.822 -7.930 1.00 1.00 H new ATOM 0 HE21 GLN A 93 -18.521 4.162 -9.266 1.00 1.00 H new ATOM 0 HE22 GLN A 93 -18.076 4.425 -10.955 1.00 1.00 H new ATOM 1506 N LEU A 94 -13.310 4.761 -5.299 1.00 1.00 N ATOM 1507 CA LEU A 94 -11.894 5.224 -5.400 1.00 1.00 C ATOM 1508 C LEU A 94 -11.188 4.969 -4.053 1.00 1.00 C ATOM 1509 O LEU A 94 -11.503 5.603 -3.066 1.00 1.00 O ATOM 1510 CB LEU A 94 -11.886 6.733 -5.708 1.00 1.00 C ATOM 1511 CG LEU A 94 -11.119 7.009 -7.011 1.00 1.00 C ATOM 1512 CD1 LEU A 94 -11.899 6.461 -8.213 1.00 1.00 C ATOM 1513 CD2 LEU A 94 -10.931 8.521 -7.175 1.00 1.00 C ATOM 0 H LEU A 94 -13.710 4.801 -4.362 1.00 1.00 H new ATOM 0 HA LEU A 94 -11.375 4.685 -6.193 1.00 1.00 H new ATOM 0 HB2 LEU A 94 -12.909 7.098 -5.796 1.00 1.00 H new ATOM 0 HB3 LEU A 94 -11.424 7.277 -4.884 1.00 1.00 H new ATOM 0 HG LEU A 94 -10.148 6.515 -6.964 1.00 1.00 H new ATOM 0 HD11 LEU A 94 -11.345 6.663 -9.129 1.00 1.00 H new ATOM 0 HD12 LEU A 94 -12.033 5.385 -8.100 1.00 1.00 H new ATOM 0 HD13 LEU A 94 -12.874 6.945 -8.265 1.00 1.00 H new ATOM 0 HD21 LEU A 94 -10.387 8.722 -8.098 1.00 1.00 H new ATOM 0 HD22 LEU A 94 -11.906 9.007 -7.215 1.00 1.00 H new ATOM 0 HD23 LEU A 94 -10.366 8.911 -6.329 1.00 1.00 H new ATOM 1525 N PRO A 95 -10.246 4.051 -3.999 1.00 1.00 N ATOM 1526 CA PRO A 95 -9.517 3.741 -2.730 1.00 1.00 C ATOM 1527 C PRO A 95 -8.665 4.929 -2.278 1.00 1.00 C ATOM 1528 O PRO A 95 -7.920 5.485 -3.057 1.00 1.00 O ATOM 1529 CB PRO A 95 -8.635 2.534 -3.080 1.00 1.00 C ATOM 1530 CG PRO A 95 -8.536 2.510 -4.572 1.00 1.00 C ATOM 1531 CD PRO A 95 -9.773 3.222 -5.121 1.00 1.00 C ATOM 0 HA PRO A 95 -10.198 3.532 -1.905 1.00 1.00 H new ATOM 0 HB2 PRO A 95 -7.649 2.628 -2.626 1.00 1.00 H new ATOM 0 HB3 PRO A 95 -9.073 1.609 -2.704 1.00 1.00 H new ATOM 0 HG2 PRO A 95 -7.626 3.009 -4.905 1.00 1.00 H new ATOM 0 HG3 PRO A 95 -8.489 1.484 -4.938 1.00 1.00 H new ATOM 0 HD2 PRO A 95 -9.527 3.832 -5.990 1.00 1.00 H new ATOM 0 HD3 PRO A 95 -10.534 2.509 -5.437 1.00 1.00 H new ATOM 1539 N ILE A 96 -8.781 5.347 -1.039 1.00 1.00 N ATOM 1540 CA ILE A 96 -7.985 6.523 -0.588 1.00 1.00 C ATOM 1541 C ILE A 96 -7.403 6.314 0.816 1.00 1.00 C ATOM 1542 O ILE A 96 -6.535 7.057 1.229 1.00 1.00 O ATOM 1543 CB ILE A 96 -8.890 7.762 -0.588 1.00 1.00 C ATOM 1544 CG1 ILE A 96 -10.130 7.501 0.293 1.00 1.00 C ATOM 1545 CG2 ILE A 96 -9.343 8.068 -2.025 1.00 1.00 C ATOM 1546 CD1 ILE A 96 -9.901 8.035 1.709 1.00 1.00 C ATOM 0 H ILE A 96 -9.385 4.928 -0.332 1.00 1.00 H new ATOM 0 HA ILE A 96 -7.149 6.655 -1.275 1.00 1.00 H new ATOM 0 HB ILE A 96 -8.335 8.612 -0.191 1.00 1.00 H new ATOM 0 HG12 ILE A 96 -11.004 7.982 -0.147 1.00 1.00 H new ATOM 0 HG13 ILE A 96 -10.339 6.432 0.330 1.00 1.00 H new ATOM 0 HG21 ILE A 96 -9.986 8.948 -2.024 1.00 1.00 H new ATOM 0 HG22 ILE A 96 -8.470 8.257 -2.649 1.00 1.00 H new ATOM 0 HG23 ILE A 96 -9.895 7.216 -2.422 1.00 1.00 H new ATOM 0 HD11 ILE A 96 -10.785 7.843 2.318 1.00 1.00 H new ATOM 0 HD12 ILE A 96 -9.040 7.535 2.152 1.00 1.00 H new ATOM 0 HD13 ILE A 96 -9.715 9.108 1.667 1.00 1.00 H new ATOM 1558 N HIS A 97 -7.857 5.339 1.574 1.00 1.00 N ATOM 1559 CA HIS A 97 -7.278 5.167 2.946 1.00 1.00 C ATOM 1560 C HIS A 97 -6.903 3.702 3.192 1.00 1.00 C ATOM 1561 O HIS A 97 -7.706 2.805 3.034 1.00 1.00 O ATOM 1562 CB HIS A 97 -8.302 5.632 3.993 1.00 1.00 C ATOM 1563 CG HIS A 97 -7.782 6.847 4.716 1.00 1.00 C ATOM 1564 ND1 HIS A 97 -6.503 6.899 5.250 1.00 1.00 N ATOM 1565 CD2 HIS A 97 -8.357 8.062 4.999 1.00 1.00 C ATOM 1566 CE1 HIS A 97 -6.350 8.108 5.823 1.00 1.00 C ATOM 1567 NE2 HIS A 97 -7.450 8.852 5.697 1.00 1.00 N ATOM 0 H HIS A 97 -8.583 4.673 1.311 1.00 1.00 H new ATOM 0 HA HIS A 97 -6.374 5.770 3.028 1.00 1.00 H new ATOM 0 HB2 HIS A 97 -9.250 5.865 3.508 1.00 1.00 H new ATOM 0 HB3 HIS A 97 -8.496 4.830 4.705 1.00 1.00 H new ATOM 0 HD2 HIS A 97 -9.358 8.358 4.722 1.00 1.00 H new ATOM 0 HE1 HIS A 97 -5.450 8.434 6.322 1.00 1.00 H new ATOM 0 HE2 HIS A 97 -7.595 9.801 6.041 1.00 1.00 H new ATOM 1576 N PHE A 98 -5.681 3.466 3.593 1.00 1.00 N ATOM 1577 CA PHE A 98 -5.228 2.073 3.871 1.00 1.00 C ATOM 1578 C PHE A 98 -5.397 1.791 5.367 1.00 1.00 C ATOM 1579 O PHE A 98 -4.725 2.370 6.197 1.00 1.00 O ATOM 1580 CB PHE A 98 -3.752 1.933 3.482 1.00 1.00 C ATOM 1581 CG PHE A 98 -3.183 0.658 4.063 1.00 1.00 C ATOM 1582 CD1 PHE A 98 -3.588 -0.582 3.557 1.00 1.00 C ATOM 1583 CD2 PHE A 98 -2.251 0.718 5.106 1.00 1.00 C ATOM 1584 CE1 PHE A 98 -3.060 -1.764 4.093 1.00 1.00 C ATOM 1585 CE2 PHE A 98 -1.723 -0.463 5.643 1.00 1.00 C ATOM 1586 CZ PHE A 98 -2.129 -1.704 5.135 1.00 1.00 C ATOM 0 H PHE A 98 -4.973 4.185 3.741 1.00 1.00 H new ATOM 0 HA PHE A 98 -5.819 1.363 3.293 1.00 1.00 H new ATOM 0 HB2 PHE A 98 -3.653 1.924 2.397 1.00 1.00 H new ATOM 0 HB3 PHE A 98 -3.188 2.792 3.846 1.00 1.00 H new ATOM 0 HD1 PHE A 98 -4.308 -0.628 2.753 1.00 1.00 H new ATOM 0 HD2 PHE A 98 -1.939 1.675 5.497 1.00 1.00 H new ATOM 0 HE1 PHE A 98 -3.372 -2.721 3.702 1.00 1.00 H new ATOM 0 HE2 PHE A 98 -1.004 -0.417 6.448 1.00 1.00 H new ATOM 0 HZ PHE A 98 -1.723 -2.615 5.548 1.00 1.00 H new ATOM 1596 N ALA A 99 -6.291 0.911 5.717 1.00 1.00 N ATOM 1597 CA ALA A 99 -6.508 0.600 7.158 1.00 1.00 C ATOM 1598 C ALA A 99 -5.261 -0.077 7.736 1.00 1.00 C ATOM 1599 O ALA A 99 -4.533 0.505 8.517 1.00 1.00 O ATOM 1600 CB ALA A 99 -7.710 -0.338 7.294 1.00 1.00 C ATOM 0 H ALA A 99 -6.882 0.392 5.067 1.00 1.00 H new ATOM 0 HA ALA A 99 -6.698 1.523 7.705 1.00 1.00 H new ATOM 0 HB1 ALA A 99 -7.874 -0.569 8.347 1.00 1.00 H new ATOM 0 HB2 ALA A 99 -8.597 0.146 6.887 1.00 1.00 H new ATOM 0 HB3 ALA A 99 -7.516 -1.260 6.746 1.00 1.00 H new ATOM 1606 N GLY A 100 -5.011 -1.303 7.364 1.00 1.00 N ATOM 1607 CA GLY A 100 -3.815 -2.016 7.896 1.00 1.00 C ATOM 1608 C GLY A 100 -3.640 -3.342 7.154 1.00 1.00 C ATOM 1609 O GLY A 100 -3.904 -3.439 5.971 1.00 1.00 O ATOM 0 H GLY A 100 -5.584 -1.842 6.714 1.00 1.00 H new ATOM 0 HA2 GLY A 100 -2.926 -1.398 7.773 1.00 1.00 H new ATOM 0 HA3 GLY A 100 -3.932 -2.198 8.964 1.00 1.00 H new ATOM 1613 N VAL A 101 -3.195 -4.365 7.838 1.00 1.00 N ATOM 1614 CA VAL A 101 -2.997 -5.690 7.176 1.00 1.00 C ATOM 1615 C VAL A 101 -3.900 -6.734 7.838 1.00 1.00 C ATOM 1616 O VAL A 101 -4.059 -6.760 9.043 1.00 1.00 O ATOM 1617 CB VAL A 101 -1.534 -6.116 7.325 1.00 1.00 C ATOM 1618 CG1 VAL A 101 -1.136 -6.071 8.801 1.00 1.00 C ATOM 1619 CG2 VAL A 101 -1.362 -7.542 6.795 1.00 1.00 C ATOM 0 H VAL A 101 -2.959 -4.340 8.830 1.00 1.00 H new ATOM 0 HA VAL A 101 -3.250 -5.610 6.119 1.00 1.00 H new ATOM 0 HB VAL A 101 -0.899 -5.436 6.757 1.00 1.00 H new ATOM 0 HG11 VAL A 101 -0.094 -6.374 8.906 1.00 1.00 H new ATOM 0 HG12 VAL A 101 -1.259 -5.056 9.180 1.00 1.00 H new ATOM 0 HG13 VAL A 101 -1.771 -6.750 9.370 1.00 1.00 H new ATOM 0 HG21 VAL A 101 -0.321 -7.846 6.901 1.00 1.00 H new ATOM 0 HG22 VAL A 101 -1.998 -8.221 7.364 1.00 1.00 H new ATOM 0 HG23 VAL A 101 -1.645 -7.576 5.743 1.00 1.00 H new ATOM 1629 N GLY A 102 -4.491 -7.598 7.057 1.00 1.00 N ATOM 1630 CA GLY A 102 -5.384 -8.646 7.635 1.00 1.00 C ATOM 1631 C GLY A 102 -6.818 -8.121 7.706 1.00 1.00 C ATOM 1632 O GLY A 102 -7.115 -7.029 7.262 1.00 1.00 O ATOM 0 H GLY A 102 -4.394 -7.624 6.042 1.00 1.00 H new ATOM 0 HA2 GLY A 102 -5.347 -9.547 7.023 1.00 1.00 H new ATOM 0 HA3 GLY A 102 -5.038 -8.923 8.631 1.00 1.00 H new ATOM 1636 N SER A 103 -7.714 -8.893 8.258 1.00 1.00 N ATOM 1637 CA SER A 103 -9.132 -8.449 8.357 1.00 1.00 C ATOM 1638 C SER A 103 -9.226 -7.188 9.219 1.00 1.00 C ATOM 1639 O SER A 103 -8.339 -6.880 9.990 1.00 1.00 O ATOM 1640 CB SER A 103 -9.969 -9.559 8.991 1.00 1.00 C ATOM 1641 OG SER A 103 -9.860 -10.738 8.203 1.00 1.00 O ATOM 0 H SER A 103 -7.523 -9.817 8.646 1.00 1.00 H new ATOM 0 HA SER A 103 -9.508 -8.229 7.358 1.00 1.00 H new ATOM 0 HB2 SER A 103 -9.626 -9.754 10.007 1.00 1.00 H new ATOM 0 HB3 SER A 103 -11.012 -9.249 9.061 1.00 1.00 H new ATOM 0 HG SER A 103 -10.394 -11.453 8.608 1.00 1.00 H new ATOM 1647 N CYS A 104 -10.303 -6.459 9.094 1.00 1.00 N ATOM 1648 CA CYS A 104 -10.469 -5.219 9.905 1.00 1.00 C ATOM 1649 C CYS A 104 -10.602 -5.607 11.383 1.00 1.00 C ATOM 1650 O CYS A 104 -10.889 -6.741 11.708 1.00 1.00 O ATOM 1651 CB CYS A 104 -11.733 -4.475 9.436 1.00 1.00 C ATOM 1652 SG CYS A 104 -11.282 -2.867 8.730 1.00 1.00 S ATOM 0 H CYS A 104 -11.076 -6.670 8.463 1.00 1.00 H new ATOM 0 HA CYS A 104 -9.605 -4.566 9.780 1.00 1.00 H new ATOM 0 HB2 CYS A 104 -12.261 -5.072 8.693 1.00 1.00 H new ATOM 0 HB3 CYS A 104 -12.414 -4.335 10.275 1.00 1.00 H new ATOM 1657 N PRO A 105 -10.396 -4.670 12.272 1.00 1.00 N ATOM 1658 CA PRO A 105 -10.494 -4.920 13.740 1.00 1.00 C ATOM 1659 C PRO A 105 -11.947 -5.080 14.201 1.00 1.00 C ATOM 1660 O PRO A 105 -12.832 -4.883 13.386 1.00 1.00 O ATOM 1661 CB PRO A 105 -9.863 -3.671 14.363 1.00 1.00 C ATOM 1662 CG PRO A 105 -10.059 -2.590 13.350 1.00 1.00 C ATOM 1663 CD PRO A 105 -10.045 -3.270 11.979 1.00 1.00 C ATOM 1664 OXT PRO A 105 -12.148 -5.397 15.363 1.00 1.00 O ATOM 0 HA PRO A 105 -9.998 -5.846 14.031 1.00 1.00 H new ATOM 0 HB2 PRO A 105 -10.342 -3.417 15.309 1.00 1.00 H new ATOM 0 HB3 PRO A 105 -8.805 -3.827 14.574 1.00 1.00 H new ATOM 0 HG2 PRO A 105 -11.003 -2.070 13.515 1.00 1.00 H new ATOM 0 HG3 PRO A 105 -9.267 -1.844 13.421 1.00 1.00 H new ATOM 0 HD2 PRO A 105 -10.764 -2.812 11.299 1.00 1.00 H new ATOM 0 HD3 PRO A 105 -9.066 -3.195 11.506 1.00 1.00 H new TER 1672 PRO A 105