USER MOD reduce.3.24.130724 H: found=0, std=0, add=983, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 982 hydrogens (32 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 53 HIS HE2 : A 53 HIS NE2 : A 125 HECFE :(H bumps) USER MOD NoAdj-H: A 95 HIS HE2 : A 95 HIS NE2 : A 125 HECFE :(H bumps) USER MOD NoAdj-H: A 125 HEC HAC : A 125 HEC CAC : A 52 CYS SG :(H bumps) USER MOD NoAdj-H: A 125 HEC HAB : A 125 HEC CAB : A 49 CYS SG :(H bumps) USER MOD Set 1.1: A 93 THR OG1 : rot -47:sc= 0.87 USER MOD Set 1.2: A 109 LYS NZ :NH3+ -115:sc= -1.44 (180deg=-4.03!) USER MOD Set 2.1: A 41 THR OG1 : rot -78:sc= 0.568 USER MOD Set 2.2: A 43 SER OG : rot 64:sc= 1.13 USER MOD Set 3.1: A 7 LYS NZ :NH3+ -156:sc= -1.2 (180deg=0) USER MOD Set 3.2: A 11 LYS NZ :NH3+ -117:sc= -1.23 (180deg=0) USER MOD Single : A 1 ASP N :NH3+ -165:sc= -0.143 (180deg=-0.536) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 4 ASN : amide:sc= -3.63! K(o=-3.6!,f=-0.85) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 TYR OH : rot 150:sc= -1.6 USER MOD Single : A 13 THR OG1 : rot 104:sc= 1.01 USER MOD Single : A 14 ASN : amide:sc= -0.0491 X(o=-0.049,f=0) USER MOD Single : A 17 HIS : no HD1:sc= -3.26! C(o=-3.3!,f=-6.1!) USER MOD Single : A 18 SER OG : rot -23:sc= 0.322 USER MOD Single : A 20 ASN : amide:sc= -3.92! C(o=-3.9!,f=-5.5!) USER MOD Single : A 22 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 23 TYR OH : rot 180:sc= -1 USER MOD Single : A 27 SER OG : rot 180:sc= -0.0722 USER MOD Single : A 29 THR OG1 : rot -22:sc= 0.483 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 ASN : amide:sc= -1.92 K(o=-1.9,f=-2.6!) USER MOD Single : A 38 LYS NZ :NH3+ 160:sc= -0.0687 (180deg=-0.56) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ -133:sc= -0.357 (180deg=-1.37) USER MOD Single : A 51 SER OG : rot -107:sc= -3.54! USER MOD Single : A 54 THR OG1 : rot 33:sc= -1.28! USER MOD Single : A 55 ASN : amide:sc= -0.406 K(o=-0.41,f=-1.2) USER MOD Single : A 56 ASN : amide:sc= -2.19! K(o=-2.2!,f=-1.3) USER MOD Single : A 59 ASN : amide:sc= 0.567 K(o=0.57,f=-6.9!) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 ASN : amide:sc= -5.63! C(o=-5.6!,f=-8!) USER MOD Single : A 66 THR OG1 : rot 180:sc=-0.00576 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 ASN : amide:sc= -6.68! C(o=-6.7!,f=-19!) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 ASN : amide:sc= -1.07 K(o=-1.1,f=-2.3!) USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 111 ASN : amide:sc= -6.1! K(o=-6.1!,f=-1.2) USER MOD Single : A 115 TYR OH : rot 180:sc= -1.61 USER MOD Single : A 118 THR OG1 : rot 67:sc= 1.1 USER MOD Single : A 120 THR OG1 : rot 68:sc= 0.55 USER MOD Single : A 121 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 123 THR OG1 : rot 180:sc= 0 USER MOD Single : A 124 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 125 HEC O2A : rot 165:sc= 0 USER MOD Single : A 125 HEC O2D : rot -127:sc= -6.46! USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 1 -8.150 1.387 14.802 1.00 0.00 N ATOM 2 CA ASP A 1 -7.769 1.286 13.404 1.00 0.00 C ATOM 3 C ASP A 1 -6.339 0.750 13.307 1.00 0.00 C ATOM 4 O ASP A 1 -5.949 0.194 12.281 1.00 0.00 O ATOM 5 CB ASP A 1 -7.808 2.655 12.722 1.00 0.00 C ATOM 6 CG ASP A 1 -8.846 2.793 11.607 1.00 0.00 C ATOM 7 OD1 ASP A 1 -9.562 1.796 11.371 1.00 0.00 O ATOM 8 OD2 ASP A 1 -8.901 3.893 11.015 1.00 0.00 O ATOM 0 H1 ASP A 1 -9.181 1.502 14.873 1.00 0.00 H new ATOM 0 H2 ASP A 1 -7.863 0.522 15.303 1.00 0.00 H new ATOM 0 H3 ASP A 1 -7.679 2.209 15.232 1.00 0.00 H new ATOM 0 HA ASP A 1 -8.474 0.617 12.910 1.00 0.00 H new ATOM 0 HB2 ASP A 1 -8.006 3.415 13.478 1.00 0.00 H new ATOM 0 HB3 ASP A 1 -6.822 2.866 12.308 1.00 0.00 H new ATOM 15 N VAL A 2 -5.597 0.936 14.388 1.00 0.00 N ATOM 16 CA VAL A 2 -4.219 0.478 14.438 1.00 0.00 C ATOM 17 C VAL A 2 -4.191 -0.998 14.842 1.00 0.00 C ATOM 18 O VAL A 2 -3.137 -1.531 15.185 1.00 0.00 O ATOM 19 CB VAL A 2 -3.404 1.370 15.377 1.00 0.00 C ATOM 20 CG1 VAL A 2 -1.936 0.940 15.406 1.00 0.00 C ATOM 21 CG2 VAL A 2 -3.536 2.843 14.984 1.00 0.00 C ATOM 0 H VAL A 2 -5.924 1.398 15.237 1.00 0.00 H new ATOM 0 HA VAL A 2 -3.755 0.555 13.455 1.00 0.00 H new ATOM 0 HB VAL A 2 -3.807 1.253 16.383 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -1.380 1.590 16.081 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -1.865 -0.090 15.755 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -1.516 1.013 14.403 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -2.947 3.456 15.667 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -3.172 2.982 13.966 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -4.583 3.142 15.039 1.00 0.00 H new ATOM 31 N THR A 3 -5.361 -1.616 14.787 1.00 0.00 N ATOM 32 CA THR A 3 -5.484 -3.019 15.143 1.00 0.00 C ATOM 33 C THR A 3 -5.363 -3.898 13.896 1.00 0.00 C ATOM 34 O THR A 3 -4.353 -4.572 13.703 1.00 0.00 O ATOM 35 CB THR A 3 -6.806 -3.204 15.890 1.00 0.00 C ATOM 36 OG1 THR A 3 -6.654 -2.412 17.065 1.00 0.00 O ATOM 37 CG2 THR A 3 -6.985 -4.627 16.421 1.00 0.00 C ATOM 0 H THR A 3 -6.233 -1.171 14.501 1.00 0.00 H new ATOM 0 HA THR A 3 -4.675 -3.331 15.803 1.00 0.00 H new ATOM 0 HB THR A 3 -7.635 -2.958 15.227 1.00 0.00 H new ATOM 0 HG1 THR A 3 -7.468 -2.473 17.608 1.00 0.00 H new ATOM 0 HG21 THR A 3 -7.939 -4.703 16.943 1.00 0.00 H new ATOM 0 HG22 THR A 3 -6.969 -5.331 15.589 1.00 0.00 H new ATOM 0 HG23 THR A 3 -6.175 -4.863 17.111 1.00 0.00 H new ATOM 45 N ASN A 4 -6.408 -3.861 13.082 1.00 0.00 N ATOM 46 CA ASN A 4 -6.432 -4.646 11.859 1.00 0.00 C ATOM 47 C ASN A 4 -5.044 -4.619 11.214 1.00 0.00 C ATOM 48 O ASN A 4 -4.460 -5.668 10.947 1.00 0.00 O ATOM 49 CB ASN A 4 -7.432 -4.070 10.855 1.00 0.00 C ATOM 50 CG ASN A 4 -8.324 -3.016 11.512 1.00 0.00 C ATOM 51 OD1 ASN A 4 -9.523 -3.185 11.662 1.00 0.00 O ATOM 52 ND2 ASN A 4 -7.674 -1.920 11.895 1.00 0.00 N ATOM 0 H ASN A 4 -7.244 -3.300 13.245 1.00 0.00 H new ATOM 0 HA ASN A 4 -6.726 -5.664 12.116 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -6.896 -3.626 10.016 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -8.049 -4.872 10.450 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -8.181 -1.157 12.344 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -6.669 -1.843 11.740 1.00 0.00 H new ATOM 59 N ALA A 5 -4.558 -3.408 10.983 1.00 0.00 N ATOM 60 CA ALA A 5 -3.251 -3.231 10.374 1.00 0.00 C ATOM 61 C ALA A 5 -2.269 -4.233 10.984 1.00 0.00 C ATOM 62 O ALA A 5 -1.566 -4.938 10.261 1.00 0.00 O ATOM 63 CB ALA A 5 -2.795 -1.782 10.557 1.00 0.00 C ATOM 0 H ALA A 5 -5.046 -2.541 11.207 1.00 0.00 H new ATOM 0 HA ALA A 5 -3.297 -3.426 9.302 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -1.814 -1.649 10.100 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -3.511 -1.112 10.081 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -2.734 -1.551 11.621 1.00 0.00 H new ATOM 69 N GLU A 6 -2.251 -4.264 12.308 1.00 0.00 N ATOM 70 CA GLU A 6 -1.367 -5.168 13.024 1.00 0.00 C ATOM 71 C GLU A 6 -1.594 -6.609 12.563 1.00 0.00 C ATOM 72 O GLU A 6 -0.641 -7.330 12.273 1.00 0.00 O ATOM 73 CB GLU A 6 -1.558 -5.039 14.536 1.00 0.00 C ATOM 74 CG GLU A 6 -0.634 -5.998 15.290 1.00 0.00 C ATOM 75 CD GLU A 6 0.736 -6.084 14.614 1.00 0.00 C ATOM 76 OE1 GLU A 6 1.281 -5.004 14.297 1.00 0.00 O ATOM 77 OE2 GLU A 6 1.208 -7.227 14.429 1.00 0.00 O ATOM 0 H GLU A 6 -2.835 -3.677 12.904 1.00 0.00 H new ATOM 0 HA GLU A 6 -0.337 -4.893 12.797 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -1.355 -4.014 14.846 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -2.596 -5.250 14.794 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -0.515 -5.660 16.319 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -1.087 -6.989 15.330 1.00 0.00 H new ATOM 84 N LYS A 7 -2.864 -6.986 12.510 1.00 0.00 N ATOM 85 CA LYS A 7 -3.229 -8.328 12.090 1.00 0.00 C ATOM 86 C LYS A 7 -2.696 -8.578 10.677 1.00 0.00 C ATOM 87 O LYS A 7 -2.073 -9.607 10.418 1.00 0.00 O ATOM 88 CB LYS A 7 -4.738 -8.539 12.223 1.00 0.00 C ATOM 89 CG LYS A 7 -5.162 -9.875 11.609 1.00 0.00 C ATOM 90 CD LYS A 7 -5.206 -9.786 10.082 1.00 0.00 C ATOM 91 CE LYS A 7 -6.477 -10.437 9.532 1.00 0.00 C ATOM 92 NZ LYS A 7 -6.253 -11.878 9.280 1.00 0.00 N ATOM 0 H LYS A 7 -3.652 -6.385 12.751 1.00 0.00 H new ATOM 0 HA LYS A 7 -2.768 -9.070 12.742 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -5.021 -8.512 13.275 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -5.268 -7.724 11.730 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -4.465 -10.656 11.912 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -6.143 -10.159 11.989 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -5.165 -8.741 9.774 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -4.329 -10.277 9.660 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -7.295 -10.308 10.241 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -6.776 -9.942 8.608 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -6.927 -12.214 8.563 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -5.282 -12.024 8.938 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -6.393 -12.411 10.162 1.00 0.00 H new ATOM 106 N LEU A 8 -2.960 -7.620 9.801 1.00 0.00 N ATOM 107 CA LEU A 8 -2.514 -7.723 8.422 1.00 0.00 C ATOM 108 C LEU A 8 -1.017 -8.038 8.397 1.00 0.00 C ATOM 109 O LEU A 8 -0.588 -8.979 7.729 1.00 0.00 O ATOM 110 CB LEU A 8 -2.890 -6.463 7.642 1.00 0.00 C ATOM 111 CG LEU A 8 -4.372 -6.306 7.295 1.00 0.00 C ATOM 112 CD1 LEU A 8 -4.568 -5.288 6.169 1.00 0.00 C ATOM 113 CD2 LEU A 8 -5.004 -7.659 6.961 1.00 0.00 C ATOM 0 H LEU A 8 -3.477 -6.768 10.019 1.00 0.00 H new ATOM 0 HA LEU A 8 -3.022 -8.545 7.918 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -2.579 -5.594 8.222 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -2.317 -6.449 6.715 1.00 0.00 H new ATOM 0 HG LEU A 8 -4.888 -5.918 8.173 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -5.630 -5.196 5.942 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -4.179 -4.319 6.482 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -4.035 -5.623 5.279 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -6.057 -7.519 6.718 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -4.490 -8.100 6.107 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -4.915 -8.324 7.820 1.00 0.00 H new ATOM 125 N VAL A 9 -0.263 -7.235 9.132 1.00 0.00 N ATOM 126 CA VAL A 9 1.177 -7.416 9.202 1.00 0.00 C ATOM 127 C VAL A 9 1.485 -8.834 9.688 1.00 0.00 C ATOM 128 O VAL A 9 2.246 -9.582 9.078 1.00 0.00 O ATOM 129 CB VAL A 9 1.798 -6.333 10.086 1.00 0.00 C ATOM 130 CG1 VAL A 9 3.296 -6.579 10.284 1.00 0.00 C ATOM 131 CG2 VAL A 9 1.543 -4.940 9.508 1.00 0.00 C ATOM 0 H VAL A 9 -0.622 -6.457 9.685 1.00 0.00 H new ATOM 0 HA VAL A 9 1.624 -7.306 8.214 1.00 0.00 H new ATOM 0 HB VAL A 9 1.318 -6.383 11.063 1.00 0.00 H new ATOM 0 HG11 VAL A 9 3.713 -5.795 10.916 1.00 0.00 H new ATOM 0 HG12 VAL A 9 3.446 -7.548 10.761 1.00 0.00 H new ATOM 0 HG13 VAL A 9 3.797 -6.570 9.316 1.00 0.00 H new ATOM 0 HG21 VAL A 9 1.995 -4.189 10.156 1.00 0.00 H new ATOM 0 HG22 VAL A 9 1.983 -4.873 8.513 1.00 0.00 H new ATOM 0 HG23 VAL A 9 0.469 -4.764 9.443 1.00 0.00 H new ATOM 141 N TYR A 10 0.867 -9.191 10.816 1.00 0.00 N ATOM 142 CA TYR A 10 1.055 -10.500 11.408 1.00 0.00 C ATOM 143 C TYR A 10 0.463 -11.567 10.498 1.00 0.00 C ATOM 144 O TYR A 10 0.655 -12.752 10.768 1.00 0.00 O ATOM 145 CB TYR A 10 0.394 -10.535 12.783 1.00 0.00 C ATOM 146 CG TYR A 10 0.897 -11.651 13.665 1.00 0.00 C ATOM 147 CD1 TYR A 10 2.004 -11.442 14.496 1.00 0.00 C ATOM 148 CD2 TYR A 10 0.257 -12.896 13.653 1.00 0.00 C ATOM 149 CE1 TYR A 10 2.472 -12.477 15.314 1.00 0.00 C ATOM 150 CE2 TYR A 10 0.724 -13.932 14.471 1.00 0.00 C ATOM 151 CZ TYR A 10 1.832 -13.723 15.302 1.00 0.00 C ATOM 152 OH TYR A 10 2.287 -14.732 16.098 1.00 0.00 O ATOM 0 H TYR A 10 0.231 -8.583 11.333 1.00 0.00 H new ATOM 0 HA TYR A 10 2.120 -10.701 11.526 1.00 0.00 H new ATOM 0 HB2 TYR A 10 0.565 -9.582 13.284 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -0.684 -10.640 12.657 1.00 0.00 H new ATOM 0 HD1 TYR A 10 2.497 -10.481 14.506 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -0.597 -13.057 13.012 1.00 0.00 H new ATOM 0 HE1 TYR A 10 3.326 -12.315 15.954 1.00 0.00 H new ATOM 0 HE2 TYR A 10 0.230 -14.892 14.461 1.00 0.00 H new ATOM 0 HH TYR A 10 1.729 -15.528 15.969 1.00 0.00 H new ATOM 162 N LYS A 11 -0.232 -11.139 9.454 1.00 0.00 N ATOM 163 CA LYS A 11 -0.839 -12.075 8.523 1.00 0.00 C ATOM 164 C LYS A 11 0.051 -12.205 7.285 1.00 0.00 C ATOM 165 O LYS A 11 0.750 -13.195 7.084 1.00 0.00 O ATOM 166 CB LYS A 11 -2.277 -11.660 8.207 1.00 0.00 C ATOM 167 CG LYS A 11 -2.999 -12.749 7.410 1.00 0.00 C ATOM 168 CD LYS A 11 -3.280 -13.973 8.285 1.00 0.00 C ATOM 169 CE LYS A 11 -4.563 -14.679 7.842 1.00 0.00 C ATOM 170 NZ LYS A 11 -5.600 -14.576 8.893 1.00 0.00 N ATOM 0 H LYS A 11 -0.388 -10.156 9.232 1.00 0.00 H new ATOM 0 HA LYS A 11 -0.910 -13.066 8.970 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -2.815 -11.466 9.135 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -2.274 -10.730 7.639 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -3.936 -12.356 7.016 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -2.391 -13.041 6.554 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -2.441 -14.666 8.228 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -3.370 -13.667 9.327 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -4.929 -14.234 6.917 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -4.354 -15.728 7.631 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -5.838 -15.527 9.240 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -5.240 -14.000 9.681 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -6.451 -14.128 8.498 1.00 0.00 H new ATOM 184 N TYR A 12 0.007 -11.166 6.448 1.00 0.00 N ATOM 185 CA TYR A 12 0.790 -11.135 5.229 1.00 0.00 C ATOM 186 C TYR A 12 2.218 -11.572 5.521 1.00 0.00 C ATOM 187 O TYR A 12 2.889 -12.058 4.612 1.00 0.00 O ATOM 188 CB TYR A 12 0.764 -9.726 4.645 1.00 0.00 C ATOM 189 CG TYR A 12 -0.566 -9.351 4.035 1.00 0.00 C ATOM 190 CD1 TYR A 12 -0.885 -9.772 2.739 1.00 0.00 C ATOM 191 CD2 TYR A 12 -1.479 -8.581 4.766 1.00 0.00 C ATOM 192 CE1 TYR A 12 -2.118 -9.425 2.174 1.00 0.00 C ATOM 193 CE2 TYR A 12 -2.712 -8.233 4.201 1.00 0.00 C ATOM 194 CZ TYR A 12 -3.031 -8.655 2.905 1.00 0.00 C ATOM 195 OH TYR A 12 -4.233 -8.317 2.354 1.00 0.00 O ATOM 0 H TYR A 12 -0.567 -10.337 6.600 1.00 0.00 H new ATOM 0 HA TYR A 12 0.363 -11.824 4.500 1.00 0.00 H new ATOM 0 HB2 TYR A 12 1.009 -9.011 5.431 1.00 0.00 H new ATOM 0 HB3 TYR A 12 1.540 -9.642 3.884 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -0.180 -10.365 2.175 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -1.232 -8.255 5.766 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -2.365 -9.751 1.174 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -3.416 -7.639 4.765 1.00 0.00 H new ATOM 0 HH TYR A 12 -4.904 -8.229 3.062 1.00 0.00 H new ATOM 205 N THR A 13 2.651 -11.395 6.761 1.00 0.00 N ATOM 206 CA THR A 13 3.999 -11.778 7.145 1.00 0.00 C ATOM 207 C THR A 13 4.118 -13.301 7.224 1.00 0.00 C ATOM 208 O THR A 13 5.073 -13.880 6.707 1.00 0.00 O ATOM 209 CB THR A 13 4.333 -11.073 8.461 1.00 0.00 C ATOM 210 OG1 THR A 13 4.420 -9.696 8.106 1.00 0.00 O ATOM 211 CG2 THR A 13 5.736 -11.415 8.969 1.00 0.00 C ATOM 0 H THR A 13 2.092 -10.991 7.513 1.00 0.00 H new ATOM 0 HA THR A 13 4.728 -11.465 6.398 1.00 0.00 H new ATOM 0 HB THR A 13 3.596 -11.347 9.216 1.00 0.00 H new ATOM 0 HG1 THR A 13 3.612 -9.229 8.405 1.00 0.00 H new ATOM 0 HG21 THR A 13 5.922 -10.889 9.905 1.00 0.00 H new ATOM 0 HG22 THR A 13 5.811 -12.490 9.136 1.00 0.00 H new ATOM 0 HG23 THR A 13 6.475 -11.111 8.228 1.00 0.00 H new ATOM 219 N ASN A 14 3.136 -13.907 7.875 1.00 0.00 N ATOM 220 CA ASN A 14 3.119 -15.352 8.028 1.00 0.00 C ATOM 221 C ASN A 14 3.037 -16.006 6.647 1.00 0.00 C ATOM 222 O ASN A 14 3.932 -16.754 6.257 1.00 0.00 O ATOM 223 CB ASN A 14 1.904 -15.805 8.839 1.00 0.00 C ATOM 224 CG ASN A 14 2.200 -17.104 9.591 1.00 0.00 C ATOM 225 OD1 ASN A 14 1.681 -18.164 9.282 1.00 0.00 O ATOM 226 ND2 ASN A 14 3.062 -16.963 10.594 1.00 0.00 N ATOM 0 H ASN A 14 2.346 -13.424 8.303 1.00 0.00 H new ATOM 0 HA ASN A 14 4.030 -15.647 8.548 1.00 0.00 H new ATOM 0 HB2 ASN A 14 1.625 -15.026 9.548 1.00 0.00 H new ATOM 0 HB3 ASN A 14 1.053 -15.951 8.174 1.00 0.00 H new ATOM 0 HD21 ASN A 14 3.325 -17.771 11.158 1.00 0.00 H new ATOM 0 HD22 ASN A 14 3.460 -16.047 10.799 1.00 0.00 H new ATOM 233 N ILE A 15 1.956 -15.700 5.946 1.00 0.00 N ATOM 234 CA ILE A 15 1.745 -16.248 4.617 1.00 0.00 C ATOM 235 C ILE A 15 3.054 -16.176 3.827 1.00 0.00 C ATOM 236 O ILE A 15 3.460 -17.154 3.201 1.00 0.00 O ATOM 237 CB ILE A 15 0.572 -15.549 3.928 1.00 0.00 C ATOM 238 CG1 ILE A 15 -0.764 -16.137 4.389 1.00 0.00 C ATOM 239 CG2 ILE A 15 0.723 -15.594 2.406 1.00 0.00 C ATOM 240 CD1 ILE A 15 -1.788 -15.031 4.652 1.00 0.00 C ATOM 0 H ILE A 15 1.216 -15.079 6.273 1.00 0.00 H new ATOM 0 HA ILE A 15 1.466 -17.300 4.679 1.00 0.00 H new ATOM 0 HB ILE A 15 0.581 -14.499 4.221 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -1.147 -16.819 3.630 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -0.614 -16.722 5.296 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -0.124 -15.090 1.941 1.00 0.00 H new ATOM 0 HG22 ILE A 15 1.647 -15.092 2.117 1.00 0.00 H new ATOM 0 HG23 ILE A 15 0.755 -16.632 2.074 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -2.728 -15.476 4.978 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -1.413 -14.365 5.429 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -1.954 -14.463 3.736 1.00 0.00 H new ATOM 252 N ALA A 16 3.677 -15.008 3.882 1.00 0.00 N ATOM 253 CA ALA A 16 4.931 -14.796 3.180 1.00 0.00 C ATOM 254 C ALA A 16 5.982 -15.770 3.715 1.00 0.00 C ATOM 255 O ALA A 16 6.775 -16.316 2.949 1.00 0.00 O ATOM 256 CB ALA A 16 5.360 -13.335 3.332 1.00 0.00 C ATOM 0 H ALA A 16 3.337 -14.199 4.402 1.00 0.00 H new ATOM 0 HA ALA A 16 4.812 -14.993 2.115 1.00 0.00 H new ATOM 0 HB1 ALA A 16 6.301 -13.175 2.805 1.00 0.00 H new ATOM 0 HB2 ALA A 16 4.593 -12.685 2.910 1.00 0.00 H new ATOM 0 HB3 ALA A 16 5.492 -13.103 4.389 1.00 0.00 H new ATOM 262 N HIS A 17 5.955 -15.958 5.027 1.00 0.00 N ATOM 263 CA HIS A 17 6.896 -16.858 5.673 1.00 0.00 C ATOM 264 C HIS A 17 6.565 -18.303 5.297 1.00 0.00 C ATOM 265 O HIS A 17 7.455 -19.150 5.228 1.00 0.00 O ATOM 266 CB HIS A 17 6.915 -16.628 7.186 1.00 0.00 C ATOM 267 CG HIS A 17 8.207 -17.035 7.852 1.00 0.00 C ATOM 268 ND1 HIS A 17 9.449 -16.643 7.383 1.00 0.00 N ATOM 269 CD2 HIS A 17 8.437 -17.802 8.957 1.00 0.00 C ATOM 270 CE1 HIS A 17 10.377 -17.157 8.176 1.00 0.00 C ATOM 271 NE2 HIS A 17 9.748 -17.876 9.150 1.00 0.00 N ATOM 0 H HIS A 17 5.297 -15.503 5.659 1.00 0.00 H new ATOM 0 HA HIS A 17 7.906 -16.650 5.319 1.00 0.00 H new ATOM 0 HB2 HIS A 17 6.732 -15.572 7.385 1.00 0.00 H new ATOM 0 HB3 HIS A 17 6.094 -17.184 7.638 1.00 0.00 H new ATOM 0 HD2 HIS A 17 7.681 -18.269 9.570 1.00 0.00 H new ATOM 0 HE1 HIS A 17 11.444 -17.029 8.070 1.00 0.00 H new ATOM 0 HE2 HIS A 17 10.209 -18.387 9.903 1.00 0.00 H new ATOM 279 N SER A 18 5.283 -18.542 5.064 1.00 0.00 N ATOM 280 CA SER A 18 4.824 -19.870 4.696 1.00 0.00 C ATOM 281 C SER A 18 5.405 -20.268 3.338 1.00 0.00 C ATOM 282 O SER A 18 5.307 -21.425 2.932 1.00 0.00 O ATOM 283 CB SER A 18 3.295 -19.934 4.659 1.00 0.00 C ATOM 284 OG SER A 18 2.825 -21.188 4.171 1.00 0.00 O ATOM 0 H SER A 18 4.547 -17.838 5.123 1.00 0.00 H new ATOM 0 HA SER A 18 5.172 -20.573 5.452 1.00 0.00 H new ATOM 0 HB2 SER A 18 2.901 -19.764 5.661 1.00 0.00 H new ATOM 0 HB3 SER A 18 2.914 -19.133 4.026 1.00 0.00 H new ATOM 0 HG SER A 18 3.522 -21.608 3.625 1.00 0.00 H new ATOM 290 N ALA A 19 5.998 -19.287 2.674 1.00 0.00 N ATOM 291 CA ALA A 19 6.595 -19.520 1.370 1.00 0.00 C ATOM 292 C ALA A 19 8.118 -19.426 1.487 1.00 0.00 C ATOM 293 O ALA A 19 8.839 -20.264 0.947 1.00 0.00 O ATOM 294 CB ALA A 19 6.025 -18.522 0.361 1.00 0.00 C ATOM 0 H ALA A 19 6.078 -18.329 3.015 1.00 0.00 H new ATOM 0 HA ALA A 19 6.353 -20.520 1.011 1.00 0.00 H new ATOM 0 HB1 ALA A 19 6.473 -18.697 -0.617 1.00 0.00 H new ATOM 0 HB2 ALA A 19 4.945 -18.650 0.293 1.00 0.00 H new ATOM 0 HB3 ALA A 19 6.250 -17.506 0.687 1.00 0.00 H new ATOM 300 N ASN A 20 8.562 -18.398 2.195 1.00 0.00 N ATOM 301 CA ASN A 20 9.986 -18.183 2.390 1.00 0.00 C ATOM 302 C ASN A 20 10.303 -18.221 3.886 1.00 0.00 C ATOM 303 O ASN A 20 9.771 -17.455 4.686 1.00 0.00 O ATOM 304 CB ASN A 20 10.415 -16.817 1.850 1.00 0.00 C ATOM 305 CG ASN A 20 11.930 -16.633 1.967 1.00 0.00 C ATOM 306 OD1 ASN A 20 12.422 -15.668 2.528 1.00 0.00 O ATOM 307 ND2 ASN A 20 12.638 -17.610 1.407 1.00 0.00 N ATOM 0 H ASN A 20 7.961 -17.705 2.641 1.00 0.00 H new ATOM 0 HA ASN A 20 10.522 -18.967 1.855 1.00 0.00 H new ATOM 0 HB2 ASN A 20 10.113 -16.723 0.807 1.00 0.00 H new ATOM 0 HB3 ASN A 20 9.905 -16.027 2.402 1.00 0.00 H new ATOM 0 HD21 ASN A 20 13.657 -17.580 1.431 1.00 0.00 H new ATOM 0 HD22 ASN A 20 12.162 -18.390 0.953 1.00 0.00 H new ATOM 314 N PRO A 21 11.195 -19.145 4.250 1.00 0.00 N ATOM 315 CA PRO A 21 11.643 -19.356 5.610 1.00 0.00 C ATOM 316 C PRO A 21 12.746 -18.363 5.944 1.00 0.00 C ATOM 317 O PRO A 21 13.669 -18.723 6.673 1.00 0.00 O ATOM 318 CB PRO A 21 12.172 -20.789 5.630 1.00 0.00 C ATOM 319 CG PRO A 21 12.693 -20.968 4.222 1.00 0.00 C ATOM 320 CD PRO A 21 11.840 -20.063 3.336 1.00 0.00 C ATOM 0 HA PRO A 21 10.851 -19.211 6.345 1.00 0.00 H new ATOM 0 HB2 PRO A 21 12.959 -20.920 6.373 1.00 0.00 H new ATOM 0 HB3 PRO A 21 11.387 -21.508 5.866 1.00 0.00 H new ATOM 0 HG2 PRO A 21 13.746 -20.695 4.159 1.00 0.00 H new ATOM 0 HG3 PRO A 21 12.614 -22.008 3.907 1.00 0.00 H new ATOM 0 HD2 PRO A 21 12.453 -19.531 2.609 1.00 0.00 H new ATOM 0 HD3 PRO A 21 11.106 -20.640 2.773 1.00 0.00 H new ATOM 328 N MET A 22 12.636 -17.153 5.415 1.00 0.00 N ATOM 329 CA MET A 22 13.637 -16.131 5.670 1.00 0.00 C ATOM 330 C MET A 22 12.990 -14.750 5.798 1.00 0.00 C ATOM 331 O MET A 22 13.529 -13.734 5.365 1.00 0.00 O ATOM 332 CB MET A 22 14.653 -16.115 4.527 1.00 0.00 C ATOM 333 CG MET A 22 14.984 -17.536 4.068 1.00 0.00 C ATOM 334 SD MET A 22 16.642 -17.594 3.408 1.00 0.00 S ATOM 335 CE MET A 22 16.917 -19.358 3.414 1.00 0.00 C ATOM 0 H MET A 22 11.869 -16.858 4.811 1.00 0.00 H new ATOM 0 HA MET A 22 14.138 -16.366 6.609 1.00 0.00 H new ATOM 0 HB2 MET A 22 14.255 -15.542 3.690 1.00 0.00 H new ATOM 0 HB3 MET A 22 15.564 -15.613 4.852 1.00 0.00 H new ATOM 0 HG2 MET A 22 14.893 -18.228 4.905 1.00 0.00 H new ATOM 0 HG3 MET A 22 14.270 -17.857 3.309 1.00 0.00 H new ATOM 0 HE1 MET A 22 17.914 -19.572 3.029 1.00 0.00 H new ATOM 0 HE2 MET A 22 16.833 -19.736 4.433 1.00 0.00 H new ATOM 0 HE3 MET A 22 16.172 -19.844 2.784 1.00 0.00 H new ATOM 345 N TYR A 23 11.804 -14.737 6.411 1.00 0.00 N ATOM 346 CA TYR A 23 11.061 -13.509 6.609 1.00 0.00 C ATOM 347 C TYR A 23 10.443 -13.498 8.000 1.00 0.00 C ATOM 348 O TYR A 23 9.558 -14.311 8.263 1.00 0.00 O ATOM 349 CB TYR A 23 9.982 -13.390 5.536 1.00 0.00 C ATOM 350 CG TYR A 23 9.479 -11.980 5.341 1.00 0.00 C ATOM 351 CD1 TYR A 23 10.361 -10.972 4.933 1.00 0.00 C ATOM 352 CD2 TYR A 23 8.130 -11.680 5.567 1.00 0.00 C ATOM 353 CE1 TYR A 23 9.895 -9.665 4.752 1.00 0.00 C ATOM 354 CE2 TYR A 23 7.664 -10.373 5.386 1.00 0.00 C ATOM 355 CZ TYR A 23 8.546 -9.365 4.979 1.00 0.00 C ATOM 356 OH TYR A 23 8.092 -8.091 4.803 1.00 0.00 O ATOM 0 H TYR A 23 11.344 -15.571 6.777 1.00 0.00 H new ATOM 0 HA TYR A 23 11.733 -12.655 6.526 1.00 0.00 H new ATOM 0 HB2 TYR A 23 10.379 -13.760 4.590 1.00 0.00 H new ATOM 0 HB3 TYR A 23 9.143 -14.033 5.803 1.00 0.00 H new ATOM 0 HD1 TYR A 23 11.401 -11.203 4.758 1.00 0.00 H new ATOM 0 HD2 TYR A 23 7.449 -12.457 5.881 1.00 0.00 H new ATOM 0 HE1 TYR A 23 10.576 -8.888 4.437 1.00 0.00 H new ATOM 0 HE2 TYR A 23 6.624 -10.142 5.560 1.00 0.00 H new ATOM 0 HH TYR A 23 7.133 -8.055 5.001 1.00 0.00 H new ATOM 366 N GLU A 24 10.909 -12.595 8.849 1.00 0.00 N ATOM 367 CA GLU A 24 10.387 -12.501 10.202 1.00 0.00 C ATOM 368 C GLU A 24 9.378 -11.355 10.303 1.00 0.00 C ATOM 369 O GLU A 24 8.281 -11.533 10.829 1.00 0.00 O ATOM 370 CB GLU A 24 11.520 -12.324 11.216 1.00 0.00 C ATOM 371 CG GLU A 24 12.320 -13.619 11.374 1.00 0.00 C ATOM 372 CD GLU A 24 11.972 -14.321 12.688 1.00 0.00 C ATOM 373 OE1 GLU A 24 12.424 -13.815 13.739 1.00 0.00 O ATOM 374 OE2 GLU A 24 11.264 -15.348 12.613 1.00 0.00 O ATOM 0 H GLU A 24 11.642 -11.922 8.627 1.00 0.00 H new ATOM 0 HA GLU A 24 9.874 -13.433 10.438 1.00 0.00 H new ATOM 0 HB2 GLU A 24 12.181 -11.521 10.891 1.00 0.00 H new ATOM 0 HB3 GLU A 24 11.107 -12.027 12.180 1.00 0.00 H new ATOM 0 HG2 GLU A 24 12.112 -14.284 10.536 1.00 0.00 H new ATOM 0 HG3 GLU A 24 13.387 -13.397 11.347 1.00 0.00 H new ATOM 381 N ALA A 25 9.786 -10.203 9.789 1.00 0.00 N ATOM 382 CA ALA A 25 8.931 -9.029 9.814 1.00 0.00 C ATOM 383 C ALA A 25 9.382 -8.052 8.727 1.00 0.00 C ATOM 384 O ALA A 25 10.544 -8.007 8.330 1.00 0.00 O ATOM 385 CB ALA A 25 8.964 -8.403 11.210 1.00 0.00 C ATOM 0 H ALA A 25 10.697 -10.058 9.353 1.00 0.00 H new ATOM 0 HA ALA A 25 7.897 -9.303 9.603 1.00 0.00 H new ATOM 0 HB1 ALA A 25 8.322 -7.522 11.229 1.00 0.00 H new ATOM 0 HB2 ALA A 25 8.607 -9.127 11.942 1.00 0.00 H new ATOM 0 HB3 ALA A 25 9.986 -8.113 11.455 1.00 0.00 H new ATOM 391 N PRO A 26 8.421 -7.259 8.247 1.00 0.00 N ATOM 392 CA PRO A 26 8.624 -6.262 7.217 1.00 0.00 C ATOM 393 C PRO A 26 9.658 -5.249 7.685 1.00 0.00 C ATOM 394 O PRO A 26 10.403 -5.547 8.617 1.00 0.00 O ATOM 395 CB PRO A 26 7.258 -5.605 7.034 1.00 0.00 C ATOM 396 CG PRO A 26 6.504 -5.890 8.380 1.00 0.00 C ATOM 397 CD PRO A 26 7.044 -7.285 8.690 1.00 0.00 C ATOM 0 HA PRO A 26 8.993 -6.685 6.283 1.00 0.00 H new ATOM 0 HB2 PRO A 26 7.353 -4.535 6.851 1.00 0.00 H new ATOM 0 HB3 PRO A 26 6.725 -6.028 6.183 1.00 0.00 H new ATOM 0 HG2 PRO A 26 6.748 -5.166 9.157 1.00 0.00 H new ATOM 0 HG3 PRO A 26 5.420 -5.878 8.262 1.00 0.00 H new ATOM 0 HD2 PRO A 26 6.976 -7.507 9.755 1.00 0.00 H new ATOM 0 HD3 PRO A 26 6.475 -8.054 8.167 1.00 0.00 H new ATOM 405 N SER A 27 9.688 -4.090 7.043 1.00 0.00 N ATOM 406 CA SER A 27 10.639 -3.055 7.410 1.00 0.00 C ATOM 407 C SER A 27 10.055 -1.675 7.101 1.00 0.00 C ATOM 408 O SER A 27 9.078 -1.561 6.362 1.00 0.00 O ATOM 409 CB SER A 27 11.969 -3.244 6.677 1.00 0.00 C ATOM 410 OG SER A 27 12.953 -2.308 7.109 1.00 0.00 O ATOM 0 H SER A 27 9.068 -3.845 6.271 1.00 0.00 H new ATOM 0 HA SER A 27 10.831 -3.131 8.480 1.00 0.00 H new ATOM 0 HB2 SER A 27 12.334 -4.257 6.844 1.00 0.00 H new ATOM 0 HB3 SER A 27 11.811 -3.135 5.604 1.00 0.00 H new ATOM 0 HG SER A 27 13.788 -2.462 6.620 1.00 0.00 H new ATOM 416 N ILE A 28 10.677 -0.660 7.683 1.00 0.00 N ATOM 417 CA ILE A 28 10.231 0.707 7.480 1.00 0.00 C ATOM 418 C ILE A 28 11.343 1.505 6.796 1.00 0.00 C ATOM 419 O ILE A 28 11.619 2.642 7.175 1.00 0.00 O ATOM 420 CB ILE A 28 9.759 1.319 8.801 1.00 0.00 C ATOM 421 CG1 ILE A 28 10.923 1.472 9.781 1.00 0.00 C ATOM 422 CG2 ILE A 28 8.608 0.508 9.400 1.00 0.00 C ATOM 423 CD1 ILE A 28 10.713 2.680 10.697 1.00 0.00 C ATOM 0 H ILE A 28 11.487 -0.758 8.295 1.00 0.00 H new ATOM 0 HA ILE A 28 9.366 0.731 6.817 1.00 0.00 H new ATOM 0 HB ILE A 28 9.377 2.319 8.597 1.00 0.00 H new ATOM 0 HG12 ILE A 28 11.019 0.568 10.382 1.00 0.00 H new ATOM 0 HG13 ILE A 28 11.855 1.588 9.229 1.00 0.00 H new ATOM 0 HG21 ILE A 28 8.291 0.964 10.338 1.00 0.00 H new ATOM 0 HG22 ILE A 28 7.771 0.494 8.702 1.00 0.00 H new ATOM 0 HG23 ILE A 28 8.941 -0.513 9.587 1.00 0.00 H new ATOM 0 HD11 ILE A 28 11.555 2.766 11.384 1.00 0.00 H new ATOM 0 HD12 ILE A 28 10.642 3.586 10.094 1.00 0.00 H new ATOM 0 HD13 ILE A 28 9.792 2.550 11.266 1.00 0.00 H new ATOM 435 N THR A 29 11.951 0.878 5.799 1.00 0.00 N ATOM 436 CA THR A 29 13.026 1.515 5.059 1.00 0.00 C ATOM 437 C THR A 29 13.132 0.920 3.654 1.00 0.00 C ATOM 438 O THR A 29 14.229 0.782 3.115 1.00 0.00 O ATOM 439 CB THR A 29 14.311 1.375 5.877 1.00 0.00 C ATOM 440 OG1 THR A 29 14.057 2.131 7.057 1.00 0.00 O ATOM 441 CG2 THR A 29 15.500 2.087 5.227 1.00 0.00 C ATOM 0 H THR A 29 11.719 -0.065 5.487 1.00 0.00 H new ATOM 0 HA THR A 29 12.831 2.577 4.914 1.00 0.00 H new ATOM 0 HB THR A 29 14.546 0.318 6.004 1.00 0.00 H new ATOM 0 HG1 THR A 29 13.345 2.781 6.882 1.00 0.00 H new ATOM 0 HG21 THR A 29 16.386 1.956 5.848 1.00 0.00 H new ATOM 0 HG22 THR A 29 15.683 1.663 4.240 1.00 0.00 H new ATOM 0 HG23 THR A 29 15.279 3.150 5.130 1.00 0.00 H new ATOM 449 N ASP A 30 11.976 0.583 3.100 1.00 0.00 N ATOM 450 CA ASP A 30 11.925 0.006 1.767 1.00 0.00 C ATOM 451 C ASP A 30 10.557 0.292 1.145 1.00 0.00 C ATOM 452 O ASP A 30 10.468 0.666 -0.023 1.00 0.00 O ATOM 453 CB ASP A 30 12.114 -1.512 1.817 1.00 0.00 C ATOM 454 CG ASP A 30 13.245 -2.051 0.939 1.00 0.00 C ATOM 455 OD1 ASP A 30 14.014 -1.211 0.424 1.00 0.00 O ATOM 456 OD2 ASP A 30 13.315 -3.292 0.803 1.00 0.00 O ATOM 0 H ASP A 30 11.068 0.698 3.550 1.00 0.00 H new ATOM 0 HA ASP A 30 12.726 0.450 1.176 1.00 0.00 H new ATOM 0 HB2 ASP A 30 12.304 -1.806 2.849 1.00 0.00 H new ATOM 0 HB3 ASP A 30 11.181 -1.989 1.516 1.00 0.00 H new ATOM 461 N GLY A 31 9.523 0.104 1.953 1.00 0.00 N ATOM 462 CA GLY A 31 8.164 0.336 1.496 1.00 0.00 C ATOM 463 C GLY A 31 8.080 1.610 0.651 1.00 0.00 C ATOM 464 O GLY A 31 7.212 1.730 -0.212 1.00 0.00 O ATOM 0 H GLY A 31 9.600 -0.206 2.922 1.00 0.00 H new ATOM 0 HA2 GLY A 31 7.823 -0.517 0.909 1.00 0.00 H new ATOM 0 HA3 GLY A 31 7.497 0.420 2.354 1.00 0.00 H new ATOM 468 N LYS A 32 8.994 2.527 0.930 1.00 0.00 N ATOM 469 CA LYS A 32 9.034 3.787 0.206 1.00 0.00 C ATOM 470 C LYS A 32 9.491 3.530 -1.231 1.00 0.00 C ATOM 471 O LYS A 32 8.892 4.040 -2.177 1.00 0.00 O ATOM 472 CB LYS A 32 9.897 4.806 0.953 1.00 0.00 C ATOM 473 CG LYS A 32 11.337 4.310 1.091 1.00 0.00 C ATOM 474 CD LYS A 32 12.230 5.383 1.718 1.00 0.00 C ATOM 475 CE LYS A 32 13.478 4.760 2.346 1.00 0.00 C ATOM 476 NZ LYS A 32 14.046 5.661 3.373 1.00 0.00 N ATOM 0 H LYS A 32 9.712 2.423 1.647 1.00 0.00 H new ATOM 0 HA LYS A 32 8.038 4.227 0.150 1.00 0.00 H new ATOM 0 HB2 LYS A 32 9.886 5.757 0.420 1.00 0.00 H new ATOM 0 HB3 LYS A 32 9.476 4.989 1.941 1.00 0.00 H new ATOM 0 HG2 LYS A 32 11.358 3.410 1.706 1.00 0.00 H new ATOM 0 HG3 LYS A 32 11.726 4.036 0.111 1.00 0.00 H new ATOM 0 HD2 LYS A 32 12.524 6.106 0.957 1.00 0.00 H new ATOM 0 HD3 LYS A 32 11.670 5.929 2.478 1.00 0.00 H new ATOM 0 HE2 LYS A 32 13.225 3.800 2.796 1.00 0.00 H new ATOM 0 HE3 LYS A 32 14.222 4.564 1.574 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 14.892 5.223 3.789 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 14.305 6.568 2.934 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 13.340 5.827 4.118 1.00 0.00 H new ATOM 490 N ILE A 33 10.549 2.741 -1.350 1.00 0.00 N ATOM 491 CA ILE A 33 11.093 2.410 -2.656 1.00 0.00 C ATOM 492 C ILE A 33 10.013 1.725 -3.495 1.00 0.00 C ATOM 493 O ILE A 33 9.707 2.168 -4.601 1.00 0.00 O ATOM 494 CB ILE A 33 12.374 1.586 -2.510 1.00 0.00 C ATOM 495 CG1 ILE A 33 13.461 2.386 -1.790 1.00 0.00 C ATOM 496 CG2 ILE A 33 12.849 1.066 -3.868 1.00 0.00 C ATOM 497 CD1 ILE A 33 14.386 1.462 -0.995 1.00 0.00 C ATOM 0 H ILE A 33 11.044 2.321 -0.563 1.00 0.00 H new ATOM 0 HA ILE A 33 11.384 3.316 -3.188 1.00 0.00 H new ATOM 0 HB ILE A 33 12.152 0.716 -1.892 1.00 0.00 H new ATOM 0 HG12 ILE A 33 14.043 2.951 -2.517 1.00 0.00 H new ATOM 0 HG13 ILE A 33 13.000 3.110 -1.119 1.00 0.00 H new ATOM 0 HG21 ILE A 33 13.761 0.484 -3.736 1.00 0.00 H new ATOM 0 HG22 ILE A 33 12.076 0.435 -4.307 1.00 0.00 H new ATOM 0 HG23 ILE A 33 13.049 1.908 -4.530 1.00 0.00 H new ATOM 0 HD11 ILE A 33 15.150 2.056 -0.493 1.00 0.00 H new ATOM 0 HD12 ILE A 33 13.804 0.916 -0.252 1.00 0.00 H new ATOM 0 HD13 ILE A 33 14.864 0.755 -1.673 1.00 0.00 H new ATOM 509 N PHE A 34 9.465 0.655 -2.938 1.00 0.00 N ATOM 510 CA PHE A 34 8.426 -0.096 -3.621 1.00 0.00 C ATOM 511 C PHE A 34 7.244 0.806 -3.980 1.00 0.00 C ATOM 512 O PHE A 34 6.435 0.463 -4.841 1.00 0.00 O ATOM 513 CB PHE A 34 7.949 -1.181 -2.654 1.00 0.00 C ATOM 514 CG PHE A 34 6.671 -1.894 -3.100 1.00 0.00 C ATOM 515 CD1 PHE A 34 6.661 -2.615 -4.253 1.00 0.00 C ATOM 516 CD2 PHE A 34 5.544 -1.806 -2.343 1.00 0.00 C ATOM 517 CE1 PHE A 34 5.474 -3.277 -4.666 1.00 0.00 C ATOM 518 CE2 PHE A 34 4.358 -2.467 -2.757 1.00 0.00 C ATOM 519 CZ PHE A 34 4.347 -3.188 -3.909 1.00 0.00 C ATOM 0 H PHE A 34 9.721 0.290 -2.021 1.00 0.00 H new ATOM 0 HA PHE A 34 8.819 -0.519 -4.545 1.00 0.00 H new ATOM 0 HB2 PHE A 34 8.742 -1.920 -2.533 1.00 0.00 H new ATOM 0 HB3 PHE A 34 7.780 -0.732 -1.675 1.00 0.00 H new ATOM 0 HD1 PHE A 34 7.555 -2.684 -4.855 1.00 0.00 H new ATOM 0 HD2 PHE A 34 5.552 -1.233 -1.427 1.00 0.00 H new ATOM 0 HE1 PHE A 34 5.466 -3.851 -5.581 1.00 0.00 H new ATOM 0 HE2 PHE A 34 3.463 -2.397 -2.156 1.00 0.00 H new ATOM 0 HZ PHE A 34 3.444 -3.690 -4.223 1.00 0.00 H new ATOM 529 N PHE A 35 7.181 1.943 -3.302 1.00 0.00 N ATOM 530 CA PHE A 35 6.110 2.897 -3.538 1.00 0.00 C ATOM 531 C PHE A 35 6.635 4.143 -4.254 1.00 0.00 C ATOM 532 O PHE A 35 5.894 5.103 -4.459 1.00 0.00 O ATOM 533 CB PHE A 35 5.563 3.303 -2.168 1.00 0.00 C ATOM 534 CG PHE A 35 4.487 4.390 -2.225 1.00 0.00 C ATOM 535 CD1 PHE A 35 3.235 4.085 -2.660 1.00 0.00 C ATOM 536 CD2 PHE A 35 4.784 5.660 -1.842 1.00 0.00 C ATOM 537 CE1 PHE A 35 2.237 5.094 -2.713 1.00 0.00 C ATOM 538 CE2 PHE A 35 3.786 6.669 -1.895 1.00 0.00 C ATOM 539 CZ PHE A 35 2.533 6.364 -2.329 1.00 0.00 C ATOM 0 H PHE A 35 7.854 2.225 -2.589 1.00 0.00 H new ATOM 0 HA PHE A 35 5.341 2.446 -4.166 1.00 0.00 H new ATOM 0 HB2 PHE A 35 5.149 2.422 -1.678 1.00 0.00 H new ATOM 0 HB3 PHE A 35 6.388 3.655 -1.548 1.00 0.00 H new ATOM 0 HD1 PHE A 35 3.000 3.076 -2.965 1.00 0.00 H new ATOM 0 HD2 PHE A 35 5.779 5.902 -1.497 1.00 0.00 H new ATOM 0 HE1 PHE A 35 1.243 4.852 -3.058 1.00 0.00 H new ATOM 0 HE2 PHE A 35 4.022 7.678 -1.591 1.00 0.00 H new ATOM 0 HZ PHE A 35 1.774 7.131 -2.368 1.00 0.00 H new ATOM 549 N ASN A 36 7.909 4.087 -4.615 1.00 0.00 N ATOM 550 CA ASN A 36 8.541 5.199 -5.304 1.00 0.00 C ATOM 551 C ASN A 36 9.512 4.656 -6.354 1.00 0.00 C ATOM 552 O ASN A 36 10.491 5.316 -6.699 1.00 0.00 O ATOM 553 CB ASN A 36 9.336 6.070 -4.330 1.00 0.00 C ATOM 554 CG ASN A 36 8.401 6.873 -3.424 1.00 0.00 C ATOM 555 OD1 ASN A 36 7.196 6.911 -3.609 1.00 0.00 O ATOM 556 ND2 ASN A 36 9.021 7.512 -2.436 1.00 0.00 N ATOM 0 H ASN A 36 8.520 3.289 -4.443 1.00 0.00 H new ATOM 0 HA ASN A 36 7.757 5.799 -5.767 1.00 0.00 H new ATOM 0 HB2 ASN A 36 9.986 5.441 -3.722 1.00 0.00 H new ATOM 0 HB3 ASN A 36 9.981 6.750 -4.887 1.00 0.00 H new ATOM 0 HD21 ASN A 36 8.484 8.076 -1.777 1.00 0.00 H new ATOM 0 HD22 ASN A 36 10.034 7.438 -2.337 1.00 0.00 H new ATOM 563 N ARG A 37 9.207 3.460 -6.834 1.00 0.00 N ATOM 564 CA ARG A 37 10.041 2.821 -7.838 1.00 0.00 C ATOM 565 C ARG A 37 9.371 2.898 -9.212 1.00 0.00 C ATOM 566 O ARG A 37 8.627 1.997 -9.595 1.00 0.00 O ATOM 567 CB ARG A 37 10.302 1.355 -7.487 1.00 0.00 C ATOM 568 CG ARG A 37 11.430 0.778 -8.343 1.00 0.00 C ATOM 569 CD ARG A 37 12.530 0.175 -7.467 1.00 0.00 C ATOM 570 NE ARG A 37 13.861 0.559 -7.989 1.00 0.00 N ATOM 571 CZ ARG A 37 14.412 1.769 -7.822 1.00 0.00 C ATOM 572 NH1 ARG A 37 13.751 2.719 -7.147 1.00 0.00 N ATOM 573 NH2 ARG A 37 15.625 2.028 -8.330 1.00 0.00 N ATOM 0 H ARG A 37 8.394 2.916 -6.546 1.00 0.00 H new ATOM 0 HA ARG A 37 10.993 3.351 -7.864 1.00 0.00 H new ATOM 0 HB2 ARG A 37 10.562 1.271 -6.432 1.00 0.00 H new ATOM 0 HB3 ARG A 37 9.392 0.774 -7.638 1.00 0.00 H new ATOM 0 HG2 ARG A 37 11.031 0.013 -9.009 1.00 0.00 H new ATOM 0 HG3 ARG A 37 11.851 1.562 -8.973 1.00 0.00 H new ATOM 0 HD2 ARG A 37 12.419 0.522 -6.440 1.00 0.00 H new ATOM 0 HD3 ARG A 37 12.437 -0.911 -7.448 1.00 0.00 H new ATOM 0 HE ARG A 37 14.392 -0.141 -8.508 1.00 0.00 H new ATOM 0 HH11 ARG A 37 12.828 2.521 -6.760 1.00 0.00 H new ATOM 0 HH12 ARG A 37 14.171 3.640 -7.020 1.00 0.00 H new ATOM 0 HH21 ARG A 37 16.128 1.304 -8.843 1.00 0.00 H new ATOM 0 HH22 ARG A 37 16.045 2.949 -8.203 1.00 0.00 H new ATOM 587 N LYS A 38 9.659 3.983 -9.915 1.00 0.00 N ATOM 588 CA LYS A 38 9.094 4.190 -11.238 1.00 0.00 C ATOM 589 C LYS A 38 9.167 2.882 -12.028 1.00 0.00 C ATOM 590 O LYS A 38 10.194 2.574 -12.632 1.00 0.00 O ATOM 591 CB LYS A 38 9.777 5.369 -11.934 1.00 0.00 C ATOM 592 CG LYS A 38 9.372 5.445 -13.408 1.00 0.00 C ATOM 593 CD LYS A 38 8.544 6.701 -13.684 1.00 0.00 C ATOM 594 CE LYS A 38 9.373 7.966 -13.454 1.00 0.00 C ATOM 595 NZ LYS A 38 10.584 7.953 -14.305 1.00 0.00 N ATOM 0 H LYS A 38 10.276 4.729 -9.594 1.00 0.00 H new ATOM 0 HA LYS A 38 8.041 4.461 -11.165 1.00 0.00 H new ATOM 0 HB2 LYS A 38 9.509 6.298 -11.431 1.00 0.00 H new ATOM 0 HB3 LYS A 38 10.859 5.265 -11.855 1.00 0.00 H new ATOM 0 HG2 LYS A 38 10.264 5.448 -14.034 1.00 0.00 H new ATOM 0 HG3 LYS A 38 8.797 4.559 -13.677 1.00 0.00 H new ATOM 0 HD2 LYS A 38 8.180 6.682 -14.711 1.00 0.00 H new ATOM 0 HD3 LYS A 38 7.668 6.713 -13.035 1.00 0.00 H new ATOM 0 HE2 LYS A 38 8.773 8.847 -13.679 1.00 0.00 H new ATOM 0 HE3 LYS A 38 9.659 8.035 -12.405 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 10.950 8.922 -14.403 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 11.310 7.351 -13.866 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 10.344 7.577 -15.244 1.00 0.00 H new ATOM 609 N PHE A 39 8.065 2.148 -12.000 1.00 0.00 N ATOM 610 CA PHE A 39 7.991 0.881 -12.707 1.00 0.00 C ATOM 611 C PHE A 39 7.119 1.001 -13.958 1.00 0.00 C ATOM 612 O PHE A 39 6.322 1.931 -14.077 1.00 0.00 O ATOM 613 CB PHE A 39 7.353 -0.128 -11.750 1.00 0.00 C ATOM 614 CG PHE A 39 5.970 0.284 -11.242 1.00 0.00 C ATOM 615 CD1 PHE A 39 4.876 0.116 -12.033 1.00 0.00 C ATOM 616 CD2 PHE A 39 5.833 0.820 -9.999 1.00 0.00 C ATOM 617 CE1 PHE A 39 3.593 0.498 -11.562 1.00 0.00 C ATOM 618 CE2 PHE A 39 4.550 1.203 -9.528 1.00 0.00 C ATOM 619 CZ PHE A 39 3.457 1.034 -10.319 1.00 0.00 C ATOM 0 H PHE A 39 7.215 2.407 -11.498 1.00 0.00 H new ATOM 0 HA PHE A 39 8.988 0.571 -13.020 1.00 0.00 H new ATOM 0 HB2 PHE A 39 7.271 -1.091 -12.255 1.00 0.00 H new ATOM 0 HB3 PHE A 39 8.015 -0.271 -10.896 1.00 0.00 H new ATOM 0 HD1 PHE A 39 4.984 -0.308 -13.020 1.00 0.00 H new ATOM 0 HD2 PHE A 39 6.701 0.954 -9.370 1.00 0.00 H new ATOM 0 HE1 PHE A 39 2.725 0.363 -12.190 1.00 0.00 H new ATOM 0 HE2 PHE A 39 4.442 1.629 -8.541 1.00 0.00 H new ATOM 0 HZ PHE A 39 2.481 1.325 -9.960 1.00 0.00 H new ATOM 629 N LYS A 40 7.299 0.047 -14.860 1.00 0.00 N ATOM 630 CA LYS A 40 6.539 0.034 -16.098 1.00 0.00 C ATOM 631 C LYS A 40 5.451 -1.038 -16.012 1.00 0.00 C ATOM 632 O LYS A 40 5.710 -2.157 -15.571 1.00 0.00 O ATOM 633 CB LYS A 40 7.473 -0.132 -17.299 1.00 0.00 C ATOM 634 CG LYS A 40 8.132 -1.513 -17.294 1.00 0.00 C ATOM 635 CD LYS A 40 7.906 -2.233 -18.625 1.00 0.00 C ATOM 636 CE LYS A 40 8.867 -1.717 -19.697 1.00 0.00 C ATOM 637 NZ LYS A 40 8.247 -1.811 -21.038 1.00 0.00 N ATOM 0 H LYS A 40 7.960 -0.723 -14.758 1.00 0.00 H new ATOM 0 HA LYS A 40 6.035 0.989 -16.246 1.00 0.00 H new ATOM 0 HB2 LYS A 40 6.911 0.003 -18.223 1.00 0.00 H new ATOM 0 HB3 LYS A 40 8.241 0.641 -17.277 1.00 0.00 H new ATOM 0 HG2 LYS A 40 9.201 -1.409 -17.110 1.00 0.00 H new ATOM 0 HG3 LYS A 40 7.725 -2.111 -16.479 1.00 0.00 H new ATOM 0 HD2 LYS A 40 8.047 -3.306 -18.491 1.00 0.00 H new ATOM 0 HD3 LYS A 40 6.877 -2.085 -18.952 1.00 0.00 H new ATOM 0 HE2 LYS A 40 9.135 -0.682 -19.486 1.00 0.00 H new ATOM 0 HE3 LYS A 40 9.790 -2.296 -19.675 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 8.913 -1.457 -21.754 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 8.013 -2.803 -21.244 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 7.379 -1.239 -21.060 1.00 0.00 H new ATOM 651 N THR A 41 4.256 -0.659 -16.441 1.00 0.00 N ATOM 652 CA THR A 41 3.128 -1.574 -16.418 1.00 0.00 C ATOM 653 C THR A 41 3.199 -2.539 -17.603 1.00 0.00 C ATOM 654 O THR A 41 3.789 -2.253 -18.643 1.00 0.00 O ATOM 655 CB THR A 41 1.844 -0.741 -16.389 1.00 0.00 C ATOM 656 OG1 THR A 41 1.880 -0.006 -17.609 1.00 0.00 O ATOM 657 CG2 THR A 41 1.869 0.336 -15.303 1.00 0.00 C ATOM 0 H THR A 41 4.045 0.270 -16.807 1.00 0.00 H new ATOM 0 HA THR A 41 3.146 -2.201 -15.527 1.00 0.00 H new ATOM 0 HB THR A 41 0.989 -1.397 -16.228 1.00 0.00 H new ATOM 0 HG1 THR A 41 2.499 0.748 -17.518 1.00 0.00 H new ATOM 0 HG21 THR A 41 0.935 0.898 -15.326 1.00 0.00 H new ATOM 0 HG22 THR A 41 1.986 -0.134 -14.327 1.00 0.00 H new ATOM 0 HG23 THR A 41 2.704 1.013 -15.481 1.00 0.00 H new ATOM 665 N PRO A 42 2.576 -3.705 -17.420 1.00 0.00 N ATOM 666 CA PRO A 42 2.516 -4.762 -18.406 1.00 0.00 C ATOM 667 C PRO A 42 1.729 -4.285 -19.618 1.00 0.00 C ATOM 668 O PRO A 42 1.669 -5.009 -20.610 1.00 0.00 O ATOM 669 CB PRO A 42 1.797 -5.912 -17.705 1.00 0.00 C ATOM 670 CG PRO A 42 0.899 -5.169 -16.639 1.00 0.00 C ATOM 671 CD PRO A 42 1.873 -4.074 -16.210 1.00 0.00 C ATOM 0 HA PRO A 42 3.500 -5.064 -18.764 1.00 0.00 H new ATOM 0 HB2 PRO A 42 1.197 -6.497 -18.401 1.00 0.00 H new ATOM 0 HB3 PRO A 42 2.499 -6.600 -17.233 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -0.018 -4.768 -17.070 1.00 0.00 H new ATOM 0 HG3 PRO A 42 0.607 -5.817 -15.813 1.00 0.00 H new ATOM 0 HD2 PRO A 42 1.345 -3.221 -15.784 1.00 0.00 H new ATOM 0 HD3 PRO A 42 2.563 -4.435 -15.447 1.00 0.00 H new ATOM 679 N SER A 43 1.149 -3.098 -19.520 1.00 0.00 N ATOM 680 CA SER A 43 0.373 -2.550 -20.619 1.00 0.00 C ATOM 681 C SER A 43 1.136 -1.398 -21.276 1.00 0.00 C ATOM 682 O SER A 43 0.529 -0.452 -21.775 1.00 0.00 O ATOM 683 CB SER A 43 -1.000 -2.074 -20.141 1.00 0.00 C ATOM 684 OG SER A 43 -1.014 -0.676 -19.866 1.00 0.00 O ATOM 0 H SER A 43 1.201 -2.500 -18.695 1.00 0.00 H new ATOM 0 HA SER A 43 0.217 -3.340 -21.354 1.00 0.00 H new ATOM 0 HB2 SER A 43 -1.747 -2.302 -20.901 1.00 0.00 H new ATOM 0 HB3 SER A 43 -1.282 -2.623 -19.243 1.00 0.00 H new ATOM 0 HG SER A 43 -0.842 -0.178 -20.693 1.00 0.00 H new ATOM 690 N GLY A 44 2.455 -1.516 -21.254 1.00 0.00 N ATOM 691 CA GLY A 44 3.307 -0.495 -21.841 1.00 0.00 C ATOM 692 C GLY A 44 2.913 0.898 -21.348 1.00 0.00 C ATOM 693 O GLY A 44 2.165 1.609 -22.017 1.00 0.00 O ATOM 0 H GLY A 44 2.955 -2.302 -20.839 1.00 0.00 H new ATOM 0 HA2 GLY A 44 4.348 -0.694 -21.586 1.00 0.00 H new ATOM 0 HA3 GLY A 44 3.232 -0.535 -22.928 1.00 0.00 H new ATOM 697 N LYS A 45 3.435 1.247 -20.181 1.00 0.00 N ATOM 698 CA LYS A 45 3.147 2.543 -19.590 1.00 0.00 C ATOM 699 C LYS A 45 3.856 2.652 -18.239 1.00 0.00 C ATOM 700 O LYS A 45 3.667 1.806 -17.365 1.00 0.00 O ATOM 701 CB LYS A 45 1.636 2.773 -19.512 1.00 0.00 C ATOM 702 CG LYS A 45 1.304 3.912 -18.547 1.00 0.00 C ATOM 703 CD LYS A 45 1.032 3.377 -17.139 1.00 0.00 C ATOM 704 CE LYS A 45 -0.463 3.419 -16.816 1.00 0.00 C ATOM 705 NZ LYS A 45 -0.693 3.118 -15.386 1.00 0.00 N ATOM 0 H LYS A 45 4.056 0.655 -19.629 1.00 0.00 H new ATOM 0 HA LYS A 45 3.536 3.343 -20.220 1.00 0.00 H new ATOM 0 HB2 LYS A 45 1.249 3.007 -20.504 1.00 0.00 H new ATOM 0 HB3 LYS A 45 1.142 1.858 -19.184 1.00 0.00 H new ATOM 0 HG2 LYS A 45 2.132 4.621 -18.517 1.00 0.00 H new ATOM 0 HG3 LYS A 45 0.431 4.456 -18.908 1.00 0.00 H new ATOM 0 HD2 LYS A 45 1.396 2.353 -17.059 1.00 0.00 H new ATOM 0 HD3 LYS A 45 1.582 3.970 -16.408 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -0.865 4.403 -17.056 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -0.995 2.697 -17.436 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -1.459 2.420 -15.297 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 0.178 2.732 -14.968 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -0.960 3.990 -14.886 1.00 0.00 H new ATOM 719 N GLU A 46 4.656 3.699 -18.109 1.00 0.00 N ATOM 720 CA GLU A 46 5.394 3.929 -16.879 1.00 0.00 C ATOM 721 C GLU A 46 4.486 4.568 -15.826 1.00 0.00 C ATOM 722 O GLU A 46 3.874 5.605 -16.076 1.00 0.00 O ATOM 723 CB GLU A 46 6.630 4.795 -17.134 1.00 0.00 C ATOM 724 CG GLU A 46 7.767 4.423 -16.180 1.00 0.00 C ATOM 725 CD GLU A 46 9.112 4.928 -16.706 1.00 0.00 C ATOM 726 OE1 GLU A 46 9.108 6.016 -17.321 1.00 0.00 O ATOM 727 OE2 GLU A 46 10.113 4.213 -16.483 1.00 0.00 O ATOM 0 H GLU A 46 4.810 4.398 -18.836 1.00 0.00 H new ATOM 0 HA GLU A 46 5.737 2.966 -16.500 1.00 0.00 H new ATOM 0 HB2 GLU A 46 6.960 4.669 -18.165 1.00 0.00 H new ATOM 0 HB3 GLU A 46 6.374 5.847 -17.007 1.00 0.00 H new ATOM 0 HG2 GLU A 46 7.574 4.849 -15.195 1.00 0.00 H new ATOM 0 HG3 GLU A 46 7.804 3.341 -16.057 1.00 0.00 H new ATOM 734 N ALA A 47 4.427 3.921 -14.671 1.00 0.00 N ATOM 735 CA ALA A 47 3.604 4.413 -13.579 1.00 0.00 C ATOM 736 C ALA A 47 4.338 4.196 -12.255 1.00 0.00 C ATOM 737 O ALA A 47 5.435 3.640 -12.233 1.00 0.00 O ATOM 738 CB ALA A 47 2.242 3.715 -13.613 1.00 0.00 C ATOM 0 H ALA A 47 4.936 3.061 -14.468 1.00 0.00 H new ATOM 0 HA ALA A 47 3.425 5.483 -13.684 1.00 0.00 H new ATOM 0 HB1 ALA A 47 1.624 4.083 -12.794 1.00 0.00 H new ATOM 0 HB2 ALA A 47 1.749 3.925 -14.562 1.00 0.00 H new ATOM 0 HB3 ALA A 47 2.382 2.639 -13.507 1.00 0.00 H new ATOM 744 N ALA A 48 3.703 4.646 -11.182 1.00 0.00 N ATOM 745 CA ALA A 48 4.282 4.508 -9.857 1.00 0.00 C ATOM 746 C ALA A 48 3.174 4.615 -8.807 1.00 0.00 C ATOM 747 O ALA A 48 2.143 5.240 -9.050 1.00 0.00 O ATOM 748 CB ALA A 48 5.372 5.564 -9.663 1.00 0.00 C ATOM 0 H ALA A 48 2.793 5.106 -11.204 1.00 0.00 H new ATOM 0 HA ALA A 48 4.751 3.531 -9.744 1.00 0.00 H new ATOM 0 HB1 ALA A 48 5.806 5.460 -8.669 1.00 0.00 H new ATOM 0 HB2 ALA A 48 6.149 5.427 -10.415 1.00 0.00 H new ATOM 0 HB3 ALA A 48 4.938 6.558 -9.767 1.00 0.00 H new ATOM 754 N CYS A 49 3.425 3.996 -7.663 1.00 0.00 N ATOM 755 CA CYS A 49 2.462 4.013 -6.576 1.00 0.00 C ATOM 756 C CYS A 49 2.329 5.453 -6.075 1.00 0.00 C ATOM 757 O CYS A 49 1.414 5.767 -5.315 1.00 0.00 O ATOM 758 CB CYS A 49 2.859 3.053 -5.453 1.00 0.00 C ATOM 759 SG CYS A 49 3.096 1.316 -5.977 1.00 0.00 S ATOM 0 H CYS A 49 4.282 3.479 -7.465 1.00 0.00 H new ATOM 0 HA CYS A 49 1.495 3.664 -6.938 1.00 0.00 H new ATOM 0 HB2 CYS A 49 3.783 3.410 -4.999 1.00 0.00 H new ATOM 0 HB3 CYS A 49 2.091 3.083 -4.680 1.00 0.00 H new ATOM 764 N ALA A 50 3.255 6.289 -6.521 1.00 0.00 N ATOM 765 CA ALA A 50 3.252 7.687 -6.128 1.00 0.00 C ATOM 766 C ALA A 50 2.720 8.537 -7.284 1.00 0.00 C ATOM 767 O ALA A 50 2.732 9.765 -7.213 1.00 0.00 O ATOM 768 CB ALA A 50 4.662 8.100 -5.702 1.00 0.00 C ATOM 0 H ALA A 50 4.012 6.025 -7.151 1.00 0.00 H new ATOM 0 HA ALA A 50 2.594 7.844 -5.274 1.00 0.00 H new ATOM 0 HB1 ALA A 50 4.660 9.149 -5.407 1.00 0.00 H new ATOM 0 HB2 ALA A 50 4.982 7.487 -4.860 1.00 0.00 H new ATOM 0 HB3 ALA A 50 5.350 7.959 -6.536 1.00 0.00 H new ATOM 774 N SER A 51 2.267 7.849 -8.322 1.00 0.00 N ATOM 775 CA SER A 51 1.731 8.525 -9.491 1.00 0.00 C ATOM 776 C SER A 51 0.352 9.106 -9.174 1.00 0.00 C ATOM 777 O SER A 51 -0.029 10.142 -9.717 1.00 0.00 O ATOM 778 CB SER A 51 1.644 7.573 -10.686 1.00 0.00 C ATOM 779 OG SER A 51 0.700 6.528 -10.468 1.00 0.00 O ATOM 0 H SER A 51 2.260 6.831 -8.378 1.00 0.00 H new ATOM 0 HA SER A 51 2.408 9.337 -9.756 1.00 0.00 H new ATOM 0 HB2 SER A 51 1.364 8.135 -11.577 1.00 0.00 H new ATOM 0 HB3 SER A 51 2.626 7.140 -10.877 1.00 0.00 H new ATOM 0 HG SER A 51 1.175 5.686 -10.308 1.00 0.00 H new ATOM 785 N CYS A 52 -0.359 8.414 -8.296 1.00 0.00 N ATOM 786 CA CYS A 52 -1.688 8.848 -7.900 1.00 0.00 C ATOM 787 C CYS A 52 -1.658 9.188 -6.409 1.00 0.00 C ATOM 788 O CYS A 52 -2.222 10.192 -5.980 1.00 0.00 O ATOM 789 CB CYS A 52 -2.748 7.793 -8.224 1.00 0.00 C ATOM 790 SG CYS A 52 -2.695 7.379 -10.006 1.00 0.00 S ATOM 0 H CYS A 52 -0.040 7.555 -7.847 1.00 0.00 H new ATOM 0 HA CYS A 52 -1.968 9.735 -8.468 1.00 0.00 H new ATOM 0 HB2 CYS A 52 -2.575 6.897 -7.629 1.00 0.00 H new ATOM 0 HB3 CYS A 52 -3.737 8.166 -7.958 1.00 0.00 H new ATOM 795 N HIS A 53 -0.986 8.324 -5.648 1.00 0.00 N ATOM 796 CA HIS A 53 -0.849 8.481 -4.204 1.00 0.00 C ATOM 797 C HIS A 53 0.364 9.378 -3.891 1.00 0.00 C ATOM 798 O HIS A 53 0.833 9.409 -2.755 1.00 0.00 O ATOM 799 CB HIS A 53 -0.789 7.090 -3.556 1.00 0.00 C ATOM 800 CG HIS A 53 -1.903 6.130 -3.904 1.00 0.00 C ATOM 801 ND1 HIS A 53 -3.192 6.421 -3.707 1.00 0.00 N ATOM 802 CD2 HIS A 53 -1.875 4.868 -4.447 1.00 0.00 C ATOM 803 CE1 HIS A 53 -3.938 5.381 -4.110 1.00 0.00 C ATOM 804 NE2 HIS A 53 -3.175 4.394 -4.576 1.00 0.00 N ATOM 0 H HIS A 53 -0.521 7.495 -6.018 1.00 0.00 H new ATOM 0 HA HIS A 53 -1.712 8.989 -3.774 1.00 0.00 H new ATOM 0 HB2 HIS A 53 0.158 6.627 -3.832 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -0.777 7.219 -2.474 1.00 0.00 H new ATOM 0 HD1 HIS A 53 -3.550 7.292 -3.314 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -0.983 4.329 -4.729 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -5.016 5.349 -4.063 1.00 0.00 H new ATOM 812 N THR A 54 0.829 10.079 -4.915 1.00 0.00 N ATOM 813 CA THR A 54 1.969 10.966 -4.758 1.00 0.00 C ATOM 814 C THR A 54 3.120 10.237 -4.062 1.00 0.00 C ATOM 815 O THR A 54 2.963 9.101 -3.619 1.00 0.00 O ATOM 816 CB THR A 54 1.497 12.213 -4.007 1.00 0.00 C ATOM 817 OG1 THR A 54 0.944 11.702 -2.797 1.00 0.00 O ATOM 818 CG2 THR A 54 0.316 12.900 -4.696 1.00 0.00 C ATOM 0 H THR A 54 0.437 10.051 -5.856 1.00 0.00 H new ATOM 0 HA THR A 54 2.362 11.280 -5.725 1.00 0.00 H new ATOM 0 HB THR A 54 2.324 12.917 -3.918 1.00 0.00 H new ATOM 0 HG1 THR A 54 1.439 10.902 -2.523 1.00 0.00 H new ATOM 0 HG21 THR A 54 0.021 13.778 -4.122 1.00 0.00 H new ATOM 0 HG22 THR A 54 0.608 13.204 -5.701 1.00 0.00 H new ATOM 0 HG23 THR A 54 -0.523 12.207 -4.756 1.00 0.00 H new ATOM 826 N ASN A 55 4.252 10.922 -3.987 1.00 0.00 N ATOM 827 CA ASN A 55 5.430 10.353 -3.353 1.00 0.00 C ATOM 828 C ASN A 55 5.085 9.946 -1.919 1.00 0.00 C ATOM 829 O ASN A 55 5.714 9.052 -1.356 1.00 0.00 O ATOM 830 CB ASN A 55 6.569 11.372 -3.294 1.00 0.00 C ATOM 831 CG ASN A 55 6.108 12.674 -2.636 1.00 0.00 C ATOM 832 OD1 ASN A 55 6.076 12.810 -1.424 1.00 0.00 O ATOM 833 ND2 ASN A 55 5.752 13.620 -3.501 1.00 0.00 N ATOM 0 H ASN A 55 4.379 11.865 -4.354 1.00 0.00 H new ATOM 0 HA ASN A 55 5.747 9.491 -3.940 1.00 0.00 H new ATOM 0 HB2 ASN A 55 7.406 10.955 -2.735 1.00 0.00 H new ATOM 0 HB3 ASN A 55 6.930 11.578 -4.302 1.00 0.00 H new ATOM 0 HD21 ASN A 55 5.428 14.526 -3.162 1.00 0.00 H new ATOM 0 HD22 ASN A 55 5.803 13.440 -4.504 1.00 0.00 H new ATOM 840 N ASN A 56 4.086 10.622 -1.370 1.00 0.00 N ATOM 841 CA ASN A 56 3.650 10.341 -0.013 1.00 0.00 C ATOM 842 C ASN A 56 2.141 10.089 -0.008 1.00 0.00 C ATOM 843 O ASN A 56 1.342 10.905 -0.463 1.00 0.00 O ATOM 844 CB ASN A 56 3.934 11.526 0.913 1.00 0.00 C ATOM 845 CG ASN A 56 4.307 11.047 2.317 1.00 0.00 C ATOM 846 OD1 ASN A 56 5.005 10.063 2.501 1.00 0.00 O ATOM 847 ND2 ASN A 56 3.804 11.795 3.295 1.00 0.00 N ATOM 0 H ASN A 56 3.567 11.363 -1.840 1.00 0.00 H new ATOM 0 HA ASN A 56 4.195 9.466 0.342 1.00 0.00 H new ATOM 0 HB2 ASN A 56 4.745 12.127 0.502 1.00 0.00 H new ATOM 0 HB3 ASN A 56 3.056 12.170 0.966 1.00 0.00 H new ATOM 0 HD21 ASN A 56 3.995 11.558 4.268 1.00 0.00 H new ATOM 0 HD22 ASN A 56 3.227 12.606 3.072 1.00 0.00 H new ATOM 854 N PRO A 57 1.765 8.925 0.524 1.00 0.00 N ATOM 855 CA PRO A 57 0.391 8.483 0.633 1.00 0.00 C ATOM 856 C PRO A 57 -0.332 9.315 1.682 1.00 0.00 C ATOM 857 O PRO A 57 -1.494 9.658 1.471 1.00 0.00 O ATOM 858 CB PRO A 57 0.483 7.020 1.063 1.00 0.00 C ATOM 859 CG PRO A 57 1.790 6.950 1.815 1.00 0.00 C ATOM 860 CD PRO A 57 2.678 7.943 1.069 1.00 0.00 C ATOM 0 HA PRO A 57 -0.165 8.593 -0.298 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -0.358 6.735 1.695 1.00 0.00 H new ATOM 0 HB3 PRO A 57 0.479 6.349 0.204 1.00 0.00 H new ATOM 0 HG2 PRO A 57 1.667 7.228 2.862 1.00 0.00 H new ATOM 0 HG3 PRO A 57 2.210 5.944 1.799 1.00 0.00 H new ATOM 0 HD2 PRO A 57 3.402 8.406 1.739 1.00 0.00 H new ATOM 0 HD3 PRO A 57 3.245 7.450 0.279 1.00 0.00 H new ATOM 868 N ALA A 58 0.354 9.620 2.774 1.00 0.00 N ATOM 869 CA ALA A 58 -0.244 10.409 3.837 1.00 0.00 C ATOM 870 C ALA A 58 -0.697 11.757 3.273 1.00 0.00 C ATOM 871 O ALA A 58 -1.484 12.465 3.901 1.00 0.00 O ATOM 872 CB ALA A 58 0.757 10.564 4.984 1.00 0.00 C ATOM 0 H ALA A 58 1.318 9.335 2.945 1.00 0.00 H new ATOM 0 HA ALA A 58 -1.124 9.907 4.238 1.00 0.00 H new ATOM 0 HB1 ALA A 58 0.308 11.156 5.781 1.00 0.00 H new ATOM 0 HB2 ALA A 58 1.024 9.580 5.369 1.00 0.00 H new ATOM 0 HB3 ALA A 58 1.653 11.067 4.620 1.00 0.00 H new ATOM 878 N ASN A 59 -0.182 12.072 2.094 1.00 0.00 N ATOM 879 CA ASN A 59 -0.523 13.323 1.438 1.00 0.00 C ATOM 880 C ASN A 59 -1.765 13.115 0.569 1.00 0.00 C ATOM 881 O ASN A 59 -2.259 11.995 0.442 1.00 0.00 O ATOM 882 CB ASN A 59 0.614 13.798 0.531 1.00 0.00 C ATOM 883 CG ASN A 59 0.602 15.321 0.389 1.00 0.00 C ATOM 884 OD1 ASN A 59 -0.402 15.982 0.596 1.00 0.00 O ATOM 885 ND2 ASN A 59 1.772 15.839 0.025 1.00 0.00 N ATOM 0 H ASN A 59 0.469 11.482 1.576 1.00 0.00 H new ATOM 0 HA ASN A 59 -0.704 14.070 2.210 1.00 0.00 H new ATOM 0 HB2 ASN A 59 1.571 13.475 0.942 1.00 0.00 H new ATOM 0 HB3 ASN A 59 0.517 13.337 -0.452 1.00 0.00 H new ATOM 0 HD21 ASN A 59 1.868 16.847 -0.097 1.00 0.00 H new ATOM 0 HD22 ASN A 59 2.573 15.228 -0.132 1.00 0.00 H new ATOM 892 N VAL A 60 -2.235 14.212 -0.008 1.00 0.00 N ATOM 893 CA VAL A 60 -3.411 14.164 -0.861 1.00 0.00 C ATOM 894 C VAL A 60 -3.012 13.637 -2.241 1.00 0.00 C ATOM 895 O VAL A 60 -2.220 14.263 -2.943 1.00 0.00 O ATOM 896 CB VAL A 60 -4.074 15.541 -0.915 1.00 0.00 C ATOM 897 CG1 VAL A 60 -5.101 15.611 -2.047 1.00 0.00 C ATOM 898 CG2 VAL A 60 -4.715 15.895 0.429 1.00 0.00 C ATOM 0 H VAL A 60 -1.823 15.139 0.098 1.00 0.00 H new ATOM 0 HA VAL A 60 -4.153 13.477 -0.453 1.00 0.00 H new ATOM 0 HB VAL A 60 -3.298 16.278 -1.120 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -5.558 16.601 -2.063 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -4.606 15.424 -3.000 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -5.872 14.858 -1.885 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -5.179 16.879 0.363 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -5.473 15.152 0.677 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -3.950 15.906 1.205 1.00 0.00 H new ATOM 908 N GLY A 61 -3.580 12.491 -2.588 1.00 0.00 N ATOM 909 CA GLY A 61 -3.294 11.873 -3.872 1.00 0.00 C ATOM 910 C GLY A 61 -4.051 12.577 -5.000 1.00 0.00 C ATOM 911 O GLY A 61 -4.629 13.643 -4.794 1.00 0.00 O ATOM 0 H GLY A 61 -4.237 11.975 -2.003 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -2.223 11.913 -4.068 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -3.574 10.820 -3.843 1.00 0.00 H new ATOM 915 N LYS A 62 -4.024 11.952 -6.168 1.00 0.00 N ATOM 916 CA LYS A 62 -4.701 12.505 -7.329 1.00 0.00 C ATOM 917 C LYS A 62 -4.707 11.466 -8.452 1.00 0.00 C ATOM 918 O LYS A 62 -3.651 11.002 -8.880 1.00 0.00 O ATOM 919 CB LYS A 62 -4.071 13.840 -7.730 1.00 0.00 C ATOM 920 CG LYS A 62 -4.496 14.244 -9.143 1.00 0.00 C ATOM 921 CD LYS A 62 -3.321 14.843 -9.919 1.00 0.00 C ATOM 922 CE LYS A 62 -2.876 16.171 -9.301 1.00 0.00 C ATOM 923 NZ LYS A 62 -3.115 17.287 -10.243 1.00 0.00 N ATOM 0 H LYS A 62 -3.544 11.068 -6.335 1.00 0.00 H new ATOM 0 HA LYS A 62 -5.742 12.728 -7.094 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -4.368 14.614 -7.022 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -2.985 13.763 -7.681 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -4.881 13.373 -9.674 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -5.308 14.969 -9.089 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -2.487 14.141 -9.922 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -3.609 15.000 -10.958 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -3.420 16.348 -8.373 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -1.817 16.123 -9.045 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -2.808 18.180 -9.808 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -2.576 17.124 -11.118 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -4.129 17.342 -10.466 1.00 0.00 H new ATOM 937 N ASN A 63 -5.909 11.132 -8.898 1.00 0.00 N ATOM 938 CA ASN A 63 -6.068 10.157 -9.964 1.00 0.00 C ATOM 939 C ASN A 63 -5.751 10.819 -11.306 1.00 0.00 C ATOM 940 O ASN A 63 -6.202 11.931 -11.575 1.00 0.00 O ATOM 941 CB ASN A 63 -7.504 9.633 -10.022 1.00 0.00 C ATOM 942 CG ASN A 63 -7.841 8.819 -8.771 1.00 0.00 C ATOM 943 OD1 ASN A 63 -6.978 8.410 -8.013 1.00 0.00 O ATOM 944 ND2 ASN A 63 -9.143 8.606 -8.599 1.00 0.00 N ATOM 0 H ASN A 63 -6.782 11.519 -8.541 1.00 0.00 H new ATOM 0 HA ASN A 63 -5.390 9.327 -9.766 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -8.197 10.469 -10.114 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -7.633 9.013 -10.909 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -9.470 8.072 -7.794 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -9.814 8.977 -9.272 1.00 0.00 H new ATOM 951 N ILE A 64 -4.978 10.107 -12.113 1.00 0.00 N ATOM 952 CA ILE A 64 -4.596 10.612 -13.421 1.00 0.00 C ATOM 953 C ILE A 64 -5.703 10.295 -14.428 1.00 0.00 C ATOM 954 O ILE A 64 -5.532 10.498 -15.629 1.00 0.00 O ATOM 955 CB ILE A 64 -3.224 10.069 -13.825 1.00 0.00 C ATOM 956 CG1 ILE A 64 -3.332 8.630 -14.335 1.00 0.00 C ATOM 957 CG2 ILE A 64 -2.223 10.196 -12.675 1.00 0.00 C ATOM 958 CD1 ILE A 64 -1.962 8.091 -14.750 1.00 0.00 C ATOM 0 H ILE A 64 -4.606 9.185 -11.886 1.00 0.00 H new ATOM 0 HA ILE A 64 -4.489 11.696 -13.394 1.00 0.00 H new ATOM 0 HB ILE A 64 -2.846 10.675 -14.649 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -3.756 7.995 -13.557 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -4.014 8.592 -15.184 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -1.256 9.803 -12.989 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -2.116 11.245 -12.400 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -2.583 9.631 -11.815 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -2.067 7.067 -15.108 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -1.552 8.713 -15.545 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -1.289 8.108 -13.892 1.00 0.00 H new ATOM 970 N VAL A 65 -6.815 9.804 -13.902 1.00 0.00 N ATOM 971 CA VAL A 65 -7.951 9.457 -14.740 1.00 0.00 C ATOM 972 C VAL A 65 -8.830 10.694 -14.936 1.00 0.00 C ATOM 973 O VAL A 65 -9.120 11.081 -16.067 1.00 0.00 O ATOM 974 CB VAL A 65 -8.708 8.275 -14.132 1.00 0.00 C ATOM 975 CG1 VAL A 65 -10.020 8.023 -14.878 1.00 0.00 C ATOM 976 CG2 VAL A 65 -7.838 7.017 -14.113 1.00 0.00 C ATOM 0 H VAL A 65 -6.954 9.638 -12.905 1.00 0.00 H new ATOM 0 HA VAL A 65 -7.615 9.137 -15.726 1.00 0.00 H new ATOM 0 HB VAL A 65 -8.952 8.528 -13.100 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -10.539 7.178 -14.426 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -10.650 8.910 -14.816 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -9.807 7.801 -15.924 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -8.401 6.192 -13.676 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -7.549 6.759 -15.132 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -6.944 7.202 -13.518 1.00 0.00 H new ATOM 986 N THR A 66 -9.230 11.280 -13.817 1.00 0.00 N ATOM 987 CA THR A 66 -10.071 12.464 -13.852 1.00 0.00 C ATOM 988 C THR A 66 -9.262 13.704 -13.465 1.00 0.00 C ATOM 989 O THR A 66 -9.499 14.792 -13.986 1.00 0.00 O ATOM 990 CB THR A 66 -11.275 12.216 -12.942 1.00 0.00 C ATOM 991 OG1 THR A 66 -10.705 12.069 -11.644 1.00 0.00 O ATOM 992 CG2 THR A 66 -11.944 10.867 -13.210 1.00 0.00 C ATOM 0 H THR A 66 -8.987 10.957 -12.881 1.00 0.00 H new ATOM 0 HA THR A 66 -10.441 12.657 -14.859 1.00 0.00 H new ATOM 0 HB THR A 66 -12.003 13.015 -13.078 1.00 0.00 H new ATOM 0 HG1 THR A 66 -11.417 11.906 -10.991 1.00 0.00 H new ATOM 0 HG21 THR A 66 -12.792 10.742 -12.537 1.00 0.00 H new ATOM 0 HG22 THR A 66 -12.291 10.832 -14.243 1.00 0.00 H new ATOM 0 HG23 THR A 66 -11.226 10.065 -13.041 1.00 0.00 H new ATOM 1000 N GLY A 67 -8.323 13.497 -12.553 1.00 0.00 N ATOM 1001 CA GLY A 67 -7.477 14.585 -12.090 1.00 0.00 C ATOM 1002 C GLY A 67 -8.118 15.312 -10.906 1.00 0.00 C ATOM 1003 O GLY A 67 -8.176 16.540 -10.886 1.00 0.00 O ATOM 0 H GLY A 67 -8.129 12.593 -12.122 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -6.503 14.194 -11.797 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -7.306 15.289 -12.904 1.00 0.00 H new ATOM 1007 N LYS A 68 -8.583 14.522 -9.950 1.00 0.00 N ATOM 1008 CA LYS A 68 -9.218 15.075 -8.765 1.00 0.00 C ATOM 1009 C LYS A 68 -8.244 15.000 -7.588 1.00 0.00 C ATOM 1010 O LYS A 68 -7.052 14.763 -7.778 1.00 0.00 O ATOM 1011 CB LYS A 68 -10.556 14.382 -8.502 1.00 0.00 C ATOM 1012 CG LYS A 68 -11.693 15.403 -8.411 1.00 0.00 C ATOM 1013 CD LYS A 68 -12.621 15.299 -9.623 1.00 0.00 C ATOM 1014 CE LYS A 68 -13.909 14.554 -9.265 1.00 0.00 C ATOM 1015 NZ LYS A 68 -14.963 14.832 -10.265 1.00 0.00 N ATOM 0 H LYS A 68 -8.533 13.503 -9.971 1.00 0.00 H new ATOM 0 HA LYS A 68 -9.455 16.128 -8.916 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -10.764 13.670 -9.301 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -10.499 13.812 -7.574 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -12.263 15.238 -7.497 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -11.279 16.409 -8.351 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -12.863 16.298 -9.987 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -12.110 14.780 -10.434 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -13.716 13.482 -9.220 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -14.249 14.858 -8.275 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -15.830 14.319 -10.007 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -15.159 15.853 -10.288 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -14.642 14.520 -11.204 1.00 0.00 H new ATOM 1029 N GLU A 69 -8.787 15.206 -6.397 1.00 0.00 N ATOM 1030 CA GLU A 69 -7.981 15.164 -5.189 1.00 0.00 C ATOM 1031 C GLU A 69 -8.378 13.964 -4.327 1.00 0.00 C ATOM 1032 O GLU A 69 -9.387 14.006 -3.625 1.00 0.00 O ATOM 1033 CB GLU A 69 -8.106 16.470 -4.402 1.00 0.00 C ATOM 1034 CG GLU A 69 -7.890 17.681 -5.311 1.00 0.00 C ATOM 1035 CD GLU A 69 -6.432 17.773 -5.764 1.00 0.00 C ATOM 1036 OE1 GLU A 69 -6.062 16.974 -6.651 1.00 0.00 O ATOM 1037 OE2 GLU A 69 -5.720 18.641 -5.214 1.00 0.00 O ATOM 0 H GLU A 69 -9.776 15.403 -6.243 1.00 0.00 H new ATOM 0 HA GLU A 69 -6.936 15.049 -5.476 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -9.092 16.528 -3.941 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -7.375 16.483 -3.593 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -8.541 17.607 -6.182 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -8.168 18.592 -4.781 1.00 0.00 H new ATOM 1044 N ILE A 70 -7.564 12.922 -4.410 1.00 0.00 N ATOM 1045 CA ILE A 70 -7.818 11.712 -3.646 1.00 0.00 C ATOM 1046 C ILE A 70 -7.287 11.892 -2.222 1.00 0.00 C ATOM 1047 O ILE A 70 -6.095 12.085 -1.990 1.00 0.00 O ATOM 1048 CB ILE A 70 -7.241 10.492 -4.367 1.00 0.00 C ATOM 1049 CG1 ILE A 70 -7.873 10.325 -5.751 1.00 0.00 C ATOM 1050 CG2 ILE A 70 -7.387 9.231 -3.514 1.00 0.00 C ATOM 1051 CD1 ILE A 70 -9.099 9.411 -5.687 1.00 0.00 C ATOM 0 H ILE A 70 -6.728 12.890 -4.994 1.00 0.00 H new ATOM 0 HA ILE A 70 -8.890 11.530 -3.567 1.00 0.00 H new ATOM 0 HB ILE A 70 -6.174 10.656 -4.517 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -8.162 11.300 -6.143 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -7.140 9.908 -6.442 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -6.969 8.379 -4.050 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -6.854 9.365 -2.573 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -8.442 9.049 -3.311 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -9.529 9.309 -6.683 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -8.802 8.429 -5.318 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -9.840 9.843 -5.014 1.00 0.00 H new ATOM 1063 N PRO A 71 -8.212 11.823 -1.262 1.00 0.00 N ATOM 1064 CA PRO A 71 -7.933 11.963 0.151 1.00 0.00 C ATOM 1065 C PRO A 71 -6.728 11.110 0.521 1.00 0.00 C ATOM 1066 O PRO A 71 -6.334 10.227 -0.238 1.00 0.00 O ATOM 1067 CB PRO A 71 -9.194 11.461 0.851 1.00 0.00 C ATOM 1068 CG PRO A 71 -10.280 11.743 -0.131 1.00 0.00 C ATOM 1069 CD PRO A 71 -9.621 11.597 -1.500 1.00 0.00 C ATOM 0 HA PRO A 71 -7.697 12.988 0.437 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -9.128 10.397 1.081 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -9.362 11.981 1.794 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -11.108 11.044 -0.015 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -10.687 12.745 0.007 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -9.797 10.606 -1.919 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -10.022 12.320 -2.211 1.00 0.00 H new ATOM 1077 N PRO A 72 -6.141 11.378 1.689 1.00 0.00 N ATOM 1078 CA PRO A 72 -4.987 10.672 2.204 1.00 0.00 C ATOM 1079 C PRO A 72 -5.217 9.171 2.095 1.00 0.00 C ATOM 1080 O PRO A 72 -6.285 8.704 2.486 1.00 0.00 O ATOM 1081 CB PRO A 72 -4.882 11.106 3.664 1.00 0.00 C ATOM 1082 CG PRO A 72 -6.233 11.876 3.994 1.00 0.00 C ATOM 1083 CD PRO A 72 -6.578 12.410 2.605 1.00 0.00 C ATOM 0 HA PRO A 72 -4.073 10.894 1.654 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -4.755 10.244 4.319 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -4.018 11.752 3.817 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -7.004 11.215 4.390 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -6.091 12.673 4.724 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -7.647 12.597 2.508 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -6.070 13.354 2.408 1.00 0.00 H new ATOM 1091 N LEU A 73 -4.231 8.456 1.575 1.00 0.00 N ATOM 1092 CA LEU A 73 -4.349 7.015 1.426 1.00 0.00 C ATOM 1093 C LEU A 73 -3.951 6.336 2.738 1.00 0.00 C ATOM 1094 O LEU A 73 -4.470 5.272 3.072 1.00 0.00 O ATOM 1095 CB LEU A 73 -3.545 6.534 0.216 1.00 0.00 C ATOM 1096 CG LEU A 73 -3.426 5.018 0.050 1.00 0.00 C ATOM 1097 CD1 LEU A 73 -4.581 4.466 -0.788 1.00 0.00 C ATOM 1098 CD2 LEU A 73 -2.063 4.635 -0.530 1.00 0.00 C ATOM 0 H LEU A 73 -3.346 8.847 1.251 1.00 0.00 H new ATOM 0 HA LEU A 73 -5.383 6.737 1.224 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -4.002 6.944 -0.685 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -2.541 6.952 0.282 1.00 0.00 H new ATOM 0 HG LEU A 73 -3.496 4.560 1.037 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -4.472 3.386 -0.891 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -5.527 4.690 -0.296 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -4.567 4.928 -1.775 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -2.005 3.552 -0.638 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -1.938 5.104 -1.506 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -1.274 4.976 0.140 1.00 0.00 H new ATOM 1110 N ALA A 74 -3.034 6.979 3.445 1.00 0.00 N ATOM 1111 CA ALA A 74 -2.560 6.451 4.713 1.00 0.00 C ATOM 1112 C ALA A 74 -3.740 5.856 5.485 1.00 0.00 C ATOM 1113 O ALA A 74 -4.526 6.557 6.117 1.00 0.00 O ATOM 1114 CB ALA A 74 -1.851 7.558 5.495 1.00 0.00 C ATOM 0 H ALA A 74 -2.606 7.861 3.164 1.00 0.00 H new ATOM 0 HA ALA A 74 -1.836 5.653 4.550 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -1.496 7.161 6.446 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -1.004 7.927 4.917 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -2.547 8.376 5.680 1.00 0.00 H new ATOM 1120 N PRO A 75 -3.845 4.527 5.418 1.00 0.00 N ATOM 1121 CA PRO A 75 -4.881 3.756 6.071 1.00 0.00 C ATOM 1122 C PRO A 75 -4.822 3.993 7.574 1.00 0.00 C ATOM 1123 O PRO A 75 -5.764 3.620 8.271 1.00 0.00 O ATOM 1124 CB PRO A 75 -4.560 2.302 5.733 1.00 0.00 C ATOM 1125 CG PRO A 75 -3.715 2.378 4.452 1.00 0.00 C ATOM 1126 CD PRO A 75 -2.938 3.671 4.684 1.00 0.00 C ATOM 0 HA PRO A 75 -5.884 4.030 5.744 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -4.011 1.819 6.542 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -5.469 1.722 5.574 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -3.056 1.516 4.342 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -4.332 2.424 3.555 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -2.025 3.486 5.250 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -2.641 4.128 3.740 1.00 0.00 H new ATOM 1134 N ARG A 76 -3.738 4.596 8.038 1.00 0.00 N ATOM 1135 CA ARG A 76 -3.582 4.868 9.457 1.00 0.00 C ATOM 1136 C ARG A 76 -3.908 6.333 9.755 1.00 0.00 C ATOM 1137 O ARG A 76 -4.735 6.626 10.618 1.00 0.00 O ATOM 1138 CB ARG A 76 -2.157 4.564 9.922 1.00 0.00 C ATOM 1139 CG ARG A 76 -2.076 4.523 11.450 1.00 0.00 C ATOM 1140 CD ARG A 76 -0.932 5.400 11.962 1.00 0.00 C ATOM 1141 NE ARG A 76 -1.342 6.822 11.954 1.00 0.00 N ATOM 1142 CZ ARG A 76 -1.983 7.425 12.964 1.00 0.00 C ATOM 1143 NH1 ARG A 76 -2.293 6.733 14.069 1.00 0.00 N ATOM 1144 NH2 ARG A 76 -2.316 8.719 12.868 1.00 0.00 N ATOM 0 H ARG A 76 -2.959 4.904 7.457 1.00 0.00 H new ATOM 0 HA ARG A 76 -4.274 4.222 9.997 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -1.833 3.608 9.511 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -1.476 5.323 9.538 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -3.019 4.864 11.877 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -1.928 3.496 11.782 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -0.656 5.098 12.972 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -0.050 5.264 11.336 1.00 0.00 H new ATOM 0 HE ARG A 76 -1.123 7.378 11.127 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -2.041 5.747 14.141 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -2.781 7.192 14.838 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -2.082 9.245 12.026 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -2.804 9.178 13.637 1.00 0.00 H new ATOM 1158 N VAL A 77 -3.240 7.215 9.026 1.00 0.00 N ATOM 1159 CA VAL A 77 -3.448 8.642 9.202 1.00 0.00 C ATOM 1160 C VAL A 77 -4.936 8.960 9.044 1.00 0.00 C ATOM 1161 O VAL A 77 -5.482 9.776 9.784 1.00 0.00 O ATOM 1162 CB VAL A 77 -2.563 9.424 8.229 1.00 0.00 C ATOM 1163 CG1 VAL A 77 -2.993 10.890 8.153 1.00 0.00 C ATOM 1164 CG2 VAL A 77 -1.087 9.305 8.613 1.00 0.00 C ATOM 0 H VAL A 77 -2.554 6.969 8.312 1.00 0.00 H new ATOM 0 HA VAL A 77 -3.155 8.949 10.206 1.00 0.00 H new ATOM 0 HB VAL A 77 -2.688 8.987 7.238 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -2.348 11.423 7.455 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -4.026 10.949 7.810 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -2.912 11.344 9.140 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -0.480 9.870 7.905 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -0.939 9.703 9.617 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -0.789 8.257 8.591 1.00 0.00 H new ATOM 1174 N ASN A 78 -5.550 8.298 8.074 1.00 0.00 N ATOM 1175 CA ASN A 78 -6.964 8.499 7.809 1.00 0.00 C ATOM 1176 C ASN A 78 -7.774 7.430 8.546 1.00 0.00 C ATOM 1177 O ASN A 78 -7.814 6.276 8.123 1.00 0.00 O ATOM 1178 CB ASN A 78 -7.268 8.377 6.315 1.00 0.00 C ATOM 1179 CG ASN A 78 -8.772 8.477 6.051 1.00 0.00 C ATOM 1180 OD1 ASN A 78 -9.575 8.665 6.950 1.00 0.00 O ATOM 1181 ND2 ASN A 78 -9.106 8.340 4.771 1.00 0.00 N ATOM 0 H ASN A 78 -5.093 7.622 7.462 1.00 0.00 H new ATOM 0 HA ASN A 78 -7.232 9.499 8.150 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -6.746 9.163 5.769 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -6.892 7.425 5.940 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -10.086 8.390 4.491 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -8.383 8.185 4.069 1.00 0.00 H new ATOM 1188 N THR A 79 -8.399 7.852 9.635 1.00 0.00 N ATOM 1189 CA THR A 79 -9.205 6.946 10.434 1.00 0.00 C ATOM 1190 C THR A 79 -10.331 6.347 9.589 1.00 0.00 C ATOM 1191 O THR A 79 -10.902 5.318 9.947 1.00 0.00 O ATOM 1192 CB THR A 79 -9.708 7.714 11.658 1.00 0.00 C ATOM 1193 OG1 THR A 79 -10.606 8.678 11.118 1.00 0.00 O ATOM 1194 CG2 THR A 79 -8.610 8.553 12.314 1.00 0.00 C ATOM 0 H THR A 79 -8.363 8.810 9.983 1.00 0.00 H new ATOM 0 HA THR A 79 -8.616 6.098 10.783 1.00 0.00 H new ATOM 0 HB THR A 79 -10.112 7.011 12.387 1.00 0.00 H new ATOM 0 HG1 THR A 79 -10.980 9.219 11.844 1.00 0.00 H new ATOM 0 HG21 THR A 79 -9.020 9.078 13.177 1.00 0.00 H new ATOM 0 HG22 THR A 79 -7.798 7.901 12.637 1.00 0.00 H new ATOM 0 HG23 THR A 79 -8.229 9.279 11.596 1.00 0.00 H new ATOM 1202 N LYS A 80 -10.617 7.016 8.482 1.00 0.00 N ATOM 1203 CA LYS A 80 -11.664 6.563 7.582 1.00 0.00 C ATOM 1204 C LYS A 80 -11.070 5.583 6.569 1.00 0.00 C ATOM 1205 O LYS A 80 -11.377 5.652 5.379 1.00 0.00 O ATOM 1206 CB LYS A 80 -12.373 7.758 6.940 1.00 0.00 C ATOM 1207 CG LYS A 80 -13.031 8.640 8.002 1.00 0.00 C ATOM 1208 CD LYS A 80 -14.346 8.026 8.487 1.00 0.00 C ATOM 1209 CE LYS A 80 -14.608 8.377 9.953 1.00 0.00 C ATOM 1210 NZ LYS A 80 -15.452 9.589 10.052 1.00 0.00 N ATOM 0 H LYS A 80 -10.142 7.869 8.188 1.00 0.00 H new ATOM 0 HA LYS A 80 -12.434 6.024 8.134 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -11.656 8.346 6.367 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -13.128 7.403 6.238 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -12.352 8.768 8.845 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -13.218 9.632 7.591 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -15.169 8.387 7.870 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -14.311 6.943 8.369 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -15.101 7.542 10.451 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -13.662 8.542 10.468 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -15.621 9.814 11.053 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -14.968 10.388 9.595 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -16.362 9.418 9.578 1.00 0.00 H new ATOM 1224 N ARG A 81 -10.231 4.692 7.076 1.00 0.00 N ATOM 1225 CA ARG A 81 -9.592 3.698 6.230 1.00 0.00 C ATOM 1226 C ARG A 81 -9.378 2.398 7.007 1.00 0.00 C ATOM 1227 O ARG A 81 -9.595 2.351 8.217 1.00 0.00 O ATOM 1228 CB ARG A 81 -8.244 4.202 5.711 1.00 0.00 C ATOM 1229 CG ARG A 81 -8.425 5.429 4.814 1.00 0.00 C ATOM 1230 CD ARG A 81 -8.889 5.020 3.414 1.00 0.00 C ATOM 1231 NE ARG A 81 -8.956 6.210 2.536 1.00 0.00 N ATOM 1232 CZ ARG A 81 -10.032 7.001 2.424 1.00 0.00 C ATOM 1233 NH1 ARG A 81 -11.137 6.733 3.132 1.00 0.00 N ATOM 1234 NH2 ARG A 81 -10.002 8.059 1.602 1.00 0.00 N ATOM 0 H ARG A 81 -9.979 4.637 8.063 1.00 0.00 H new ATOM 0 HA ARG A 81 -10.250 3.513 5.381 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -7.598 4.454 6.552 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -7.746 3.409 5.153 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -9.154 6.106 5.260 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -7.484 5.975 4.744 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -8.201 4.286 2.994 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -9.868 4.544 3.471 1.00 0.00 H new ATOM 0 HE ARG A 81 -8.132 6.442 1.982 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -11.160 5.927 3.756 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -11.956 7.335 3.047 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -9.161 8.262 1.062 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -10.821 8.662 1.516 1.00 0.00 H new ATOM 1248 N PHE A 82 -8.954 1.375 6.280 1.00 0.00 N ATOM 1249 CA PHE A 82 -8.708 0.077 6.887 1.00 0.00 C ATOM 1250 C PHE A 82 -9.725 -0.213 7.992 1.00 0.00 C ATOM 1251 O PHE A 82 -9.366 -0.298 9.165 1.00 0.00 O ATOM 1252 CB PHE A 82 -7.307 0.128 7.500 1.00 0.00 C ATOM 1253 CG PHE A 82 -6.190 -0.269 6.533 1.00 0.00 C ATOM 1254 CD1 PHE A 82 -6.437 -0.333 5.198 1.00 0.00 C ATOM 1255 CD2 PHE A 82 -4.949 -0.558 7.010 1.00 0.00 C ATOM 1256 CE1 PHE A 82 -5.400 -0.702 4.301 1.00 0.00 C ATOM 1257 CE2 PHE A 82 -3.912 -0.927 6.113 1.00 0.00 C ATOM 1258 CZ PHE A 82 -4.159 -0.991 4.777 1.00 0.00 C ATOM 0 H PHE A 82 -8.774 1.418 5.277 1.00 0.00 H new ATOM 0 HA PHE A 82 -8.795 -0.708 6.135 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -7.117 1.138 7.863 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -7.276 -0.533 8.366 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -7.422 -0.103 4.819 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -4.753 -0.507 8.071 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -5.597 -0.753 3.240 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -2.927 -1.157 6.492 1.00 0.00 H new ATOM 0 HZ PHE A 82 -3.370 -1.271 4.095 1.00 0.00 H new ATOM 1268 N THR A 83 -10.976 -0.359 7.578 1.00 0.00 N ATOM 1269 CA THR A 83 -12.047 -0.638 8.518 1.00 0.00 C ATOM 1270 C THR A 83 -12.328 -2.141 8.575 1.00 0.00 C ATOM 1271 O THR A 83 -12.201 -2.760 9.631 1.00 0.00 O ATOM 1272 CB THR A 83 -13.265 0.192 8.107 1.00 0.00 C ATOM 1273 OG1 THR A 83 -12.799 1.538 8.150 1.00 0.00 O ATOM 1274 CG2 THR A 83 -14.382 0.151 9.152 1.00 0.00 C ATOM 0 H THR A 83 -11.271 -0.289 6.604 1.00 0.00 H new ATOM 0 HA THR A 83 -11.768 -0.352 9.532 1.00 0.00 H new ATOM 0 HB THR A 83 -13.647 -0.173 7.153 1.00 0.00 H new ATOM 0 HG1 THR A 83 -13.526 2.144 7.895 1.00 0.00 H new ATOM 0 HG21 THR A 83 -15.222 0.756 8.811 1.00 0.00 H new ATOM 0 HG22 THR A 83 -14.710 -0.879 9.293 1.00 0.00 H new ATOM 0 HG23 THR A 83 -14.011 0.546 10.097 1.00 0.00 H new ATOM 1282 N ASP A 84 -12.705 -2.685 7.427 1.00 0.00 N ATOM 1283 CA ASP A 84 -13.004 -4.103 7.334 1.00 0.00 C ATOM 1284 C ASP A 84 -11.941 -4.789 6.473 1.00 0.00 C ATOM 1285 O ASP A 84 -11.991 -4.719 5.246 1.00 0.00 O ATOM 1286 CB ASP A 84 -14.366 -4.337 6.678 1.00 0.00 C ATOM 1287 CG ASP A 84 -15.560 -4.299 7.634 1.00 0.00 C ATOM 1288 OD1 ASP A 84 -15.634 -3.323 8.412 1.00 0.00 O ATOM 1289 OD2 ASP A 84 -16.372 -5.247 7.566 1.00 0.00 O ATOM 0 H ASP A 84 -12.810 -2.169 6.554 1.00 0.00 H new ATOM 0 HA ASP A 84 -13.015 -4.512 8.344 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -14.514 -3.583 5.905 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -14.350 -5.306 6.179 1.00 0.00 H new ATOM 1294 N ILE A 85 -11.005 -5.437 7.150 1.00 0.00 N ATOM 1295 CA ILE A 85 -9.932 -6.135 6.462 1.00 0.00 C ATOM 1296 C ILE A 85 -10.497 -6.840 5.227 1.00 0.00 C ATOM 1297 O ILE A 85 -9.897 -6.796 4.154 1.00 0.00 O ATOM 1298 CB ILE A 85 -9.199 -7.072 7.424 1.00 0.00 C ATOM 1299 CG1 ILE A 85 -8.377 -6.280 8.443 1.00 0.00 C ATOM 1300 CG2 ILE A 85 -8.343 -8.083 6.659 1.00 0.00 C ATOM 1301 CD1 ILE A 85 -8.055 -7.134 9.671 1.00 0.00 C ATOM 0 H ILE A 85 -10.967 -5.494 8.168 1.00 0.00 H new ATOM 0 HA ILE A 85 -9.182 -5.427 6.110 1.00 0.00 H new ATOM 0 HB ILE A 85 -9.944 -7.638 7.983 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -7.451 -5.937 7.981 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -8.929 -5.391 8.748 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -7.833 -8.737 7.366 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -8.981 -8.680 6.008 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -7.605 -7.553 6.057 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -7.470 -6.547 10.379 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -8.983 -7.455 10.145 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -7.482 -8.010 9.365 1.00 0.00 H new ATOM 1313 N ASP A 86 -11.644 -7.473 5.420 1.00 0.00 N ATOM 1314 CA ASP A 86 -12.297 -8.186 4.335 1.00 0.00 C ATOM 1315 C ASP A 86 -12.178 -7.368 3.048 1.00 0.00 C ATOM 1316 O ASP A 86 -11.627 -7.842 2.056 1.00 0.00 O ATOM 1317 CB ASP A 86 -13.784 -8.393 4.628 1.00 0.00 C ATOM 1318 CG ASP A 86 -14.459 -9.491 3.804 1.00 0.00 C ATOM 1319 OD1 ASP A 86 -13.723 -10.394 3.351 1.00 0.00 O ATOM 1320 OD2 ASP A 86 -15.696 -9.401 3.644 1.00 0.00 O ATOM 0 H ASP A 86 -12.138 -7.507 6.311 1.00 0.00 H new ATOM 0 HA ASP A 86 -11.812 -9.156 4.230 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -13.901 -8.630 5.686 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -14.308 -7.453 4.452 1.00 0.00 H new ATOM 1325 N LYS A 87 -12.703 -6.153 3.107 1.00 0.00 N ATOM 1326 CA LYS A 87 -12.663 -5.264 1.958 1.00 0.00 C ATOM 1327 C LYS A 87 -11.380 -4.432 2.008 1.00 0.00 C ATOM 1328 O LYS A 87 -11.404 -3.271 2.414 1.00 0.00 O ATOM 1329 CB LYS A 87 -13.939 -4.424 1.885 1.00 0.00 C ATOM 1330 CG LYS A 87 -14.113 -3.580 3.150 1.00 0.00 C ATOM 1331 CD LYS A 87 -14.390 -2.117 2.800 1.00 0.00 C ATOM 1332 CE LYS A 87 -14.100 -1.204 3.992 1.00 0.00 C ATOM 1333 NZ LYS A 87 -15.065 -0.082 4.032 1.00 0.00 N ATOM 0 H LYS A 87 -13.158 -5.763 3.932 1.00 0.00 H new ATOM 0 HA LYS A 87 -12.635 -5.839 1.032 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -13.901 -3.773 1.012 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -14.802 -5.077 1.758 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -14.935 -3.977 3.746 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -13.214 -3.647 3.763 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -13.774 -1.820 1.951 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -15.430 -2.003 2.495 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -14.159 -1.776 4.918 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -13.084 -0.815 3.921 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -14.854 0.528 4.847 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -14.989 0.473 3.155 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -16.031 -0.458 4.121 1.00 0.00 H new ATOM 1347 N VAL A 88 -10.290 -5.057 1.588 1.00 0.00 N ATOM 1348 CA VAL A 88 -9.000 -4.388 1.580 1.00 0.00 C ATOM 1349 C VAL A 88 -7.914 -5.389 1.178 1.00 0.00 C ATOM 1350 O VAL A 88 -6.950 -5.026 0.506 1.00 0.00 O ATOM 1351 CB VAL A 88 -8.739 -3.738 2.940 1.00 0.00 C ATOM 1352 CG1 VAL A 88 -7.556 -4.402 3.647 1.00 0.00 C ATOM 1353 CG2 VAL A 88 -8.515 -2.231 2.793 1.00 0.00 C ATOM 0 H VAL A 88 -10.273 -6.019 1.251 1.00 0.00 H new ATOM 0 HA VAL A 88 -8.991 -3.584 0.844 1.00 0.00 H new ATOM 0 HB VAL A 88 -9.624 -3.886 3.558 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -7.392 -3.921 4.611 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -7.771 -5.459 3.801 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -6.661 -4.299 3.033 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -8.332 -1.793 3.774 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -7.654 -2.052 2.149 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -9.400 -1.773 2.351 1.00 0.00 H new ATOM 1363 N GLU A 89 -8.108 -6.627 1.605 1.00 0.00 N ATOM 1364 CA GLU A 89 -7.157 -7.682 1.298 1.00 0.00 C ATOM 1365 C GLU A 89 -7.232 -8.049 -0.185 1.00 0.00 C ATOM 1366 O GLU A 89 -6.220 -8.037 -0.884 1.00 0.00 O ATOM 1367 CB GLU A 89 -7.397 -8.910 2.179 1.00 0.00 C ATOM 1368 CG GLU A 89 -6.643 -10.128 1.640 1.00 0.00 C ATOM 1369 CD GLU A 89 -6.857 -11.347 2.540 1.00 0.00 C ATOM 1370 OE1 GLU A 89 -8.019 -11.552 2.951 1.00 0.00 O ATOM 1371 OE2 GLU A 89 -5.852 -12.046 2.795 1.00 0.00 O ATOM 0 H GLU A 89 -8.910 -6.924 2.161 1.00 0.00 H new ATOM 0 HA GLU A 89 -6.154 -7.313 1.511 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -7.073 -8.699 3.198 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -8.464 -9.128 2.222 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -6.984 -10.353 0.629 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -5.579 -9.902 1.575 1.00 0.00 H new ATOM 1378 N ASP A 90 -8.442 -8.367 -0.623 1.00 0.00 N ATOM 1379 CA ASP A 90 -8.663 -8.736 -2.011 1.00 0.00 C ATOM 1380 C ASP A 90 -8.369 -7.532 -2.908 1.00 0.00 C ATOM 1381 O ASP A 90 -7.637 -7.649 -3.890 1.00 0.00 O ATOM 1382 CB ASP A 90 -10.115 -9.157 -2.245 1.00 0.00 C ATOM 1383 CG ASP A 90 -11.164 -8.219 -1.646 1.00 0.00 C ATOM 1384 OD1 ASP A 90 -11.304 -8.241 -0.404 1.00 0.00 O ATOM 1385 OD2 ASP A 90 -11.803 -7.499 -2.444 1.00 0.00 O ATOM 0 H ASP A 90 -9.279 -8.377 -0.041 1.00 0.00 H new ATOM 0 HA ASP A 90 -8.003 -9.571 -2.246 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -10.287 -9.232 -3.319 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -10.260 -10.154 -1.828 1.00 0.00 H new ATOM 1390 N GLU A 91 -8.954 -6.403 -2.538 1.00 0.00 N ATOM 1391 CA GLU A 91 -8.765 -5.178 -3.296 1.00 0.00 C ATOM 1392 C GLU A 91 -7.279 -4.963 -3.595 1.00 0.00 C ATOM 1393 O GLU A 91 -6.920 -4.515 -4.682 1.00 0.00 O ATOM 1394 CB GLU A 91 -9.354 -3.977 -2.555 1.00 0.00 C ATOM 1395 CG GLU A 91 -10.871 -3.907 -2.742 1.00 0.00 C ATOM 1396 CD GLU A 91 -11.241 -2.929 -3.860 1.00 0.00 C ATOM 1397 OE1 GLU A 91 -10.783 -1.769 -3.774 1.00 0.00 O ATOM 1398 OE2 GLU A 91 -11.973 -3.364 -4.775 1.00 0.00 O ATOM 0 H GLU A 91 -9.560 -6.311 -1.723 1.00 0.00 H new ATOM 0 HA GLU A 91 -9.297 -5.275 -4.243 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -9.118 -4.049 -1.493 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -8.896 -3.058 -2.922 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -11.258 -4.898 -2.978 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -11.342 -3.595 -1.810 1.00 0.00 H new ATOM 1405 N PHE A 92 -6.457 -5.293 -2.610 1.00 0.00 N ATOM 1406 CA PHE A 92 -5.019 -5.142 -2.754 1.00 0.00 C ATOM 1407 C PHE A 92 -4.483 -6.037 -3.873 1.00 0.00 C ATOM 1408 O PHE A 92 -3.459 -5.729 -4.482 1.00 0.00 O ATOM 1409 CB PHE A 92 -4.389 -5.572 -1.427 1.00 0.00 C ATOM 1410 CG PHE A 92 -3.677 -4.442 -0.681 1.00 0.00 C ATOM 1411 CD1 PHE A 92 -2.793 -3.644 -1.339 1.00 0.00 C ATOM 1412 CD2 PHE A 92 -3.929 -4.234 0.639 1.00 0.00 C ATOM 1413 CE1 PHE A 92 -2.132 -2.595 -0.646 1.00 0.00 C ATOM 1414 CE2 PHE A 92 -3.268 -3.185 1.331 1.00 0.00 C ATOM 1415 CZ PHE A 92 -2.384 -2.388 0.674 1.00 0.00 C ATOM 0 H PHE A 92 -6.759 -5.664 -1.709 1.00 0.00 H new ATOM 0 HA PHE A 92 -4.777 -4.109 -3.004 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -5.167 -5.984 -0.784 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -3.675 -6.373 -1.618 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -2.594 -3.808 -2.388 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -4.632 -4.867 1.161 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -1.429 -1.962 -1.167 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -3.468 -3.020 2.380 1.00 0.00 H new ATOM 0 HZ PHE A 92 -1.882 -1.590 1.201 1.00 0.00 H new ATOM 1425 N THR A 93 -5.198 -7.127 -4.110 1.00 0.00 N ATOM 1426 CA THR A 93 -4.807 -8.069 -5.145 1.00 0.00 C ATOM 1427 C THR A 93 -5.417 -7.667 -6.489 1.00 0.00 C ATOM 1428 O THR A 93 -4.786 -7.824 -7.533 1.00 0.00 O ATOM 1429 CB THR A 93 -5.214 -9.470 -4.687 1.00 0.00 C ATOM 1430 OG1 THR A 93 -4.069 -9.953 -3.988 1.00 0.00 O ATOM 1431 CG2 THR A 93 -5.375 -10.445 -5.856 1.00 0.00 C ATOM 0 H THR A 93 -6.046 -7.379 -3.603 1.00 0.00 H new ATOM 0 HA THR A 93 -3.728 -8.063 -5.299 1.00 0.00 H new ATOM 0 HB THR A 93 -6.150 -9.412 -4.131 1.00 0.00 H new ATOM 0 HG1 THR A 93 -3.264 -9.781 -4.520 1.00 0.00 H new ATOM 0 HG21 THR A 93 -5.664 -11.425 -5.476 1.00 0.00 H new ATOM 0 HG22 THR A 93 -6.145 -10.077 -6.534 1.00 0.00 H new ATOM 0 HG23 THR A 93 -4.430 -10.529 -6.393 1.00 0.00 H new ATOM 1439 N LYS A 94 -6.638 -7.158 -6.420 1.00 0.00 N ATOM 1440 CA LYS A 94 -7.341 -6.733 -7.618 1.00 0.00 C ATOM 1441 C LYS A 94 -6.705 -5.447 -8.149 1.00 0.00 C ATOM 1442 O LYS A 94 -6.718 -5.186 -9.350 1.00 0.00 O ATOM 1443 CB LYS A 94 -8.841 -6.609 -7.344 1.00 0.00 C ATOM 1444 CG LYS A 94 -9.362 -7.828 -6.580 1.00 0.00 C ATOM 1445 CD LYS A 94 -10.377 -8.608 -7.418 1.00 0.00 C ATOM 1446 CE LYS A 94 -11.806 -8.324 -6.952 1.00 0.00 C ATOM 1447 NZ LYS A 94 -12.777 -9.097 -7.758 1.00 0.00 N ATOM 0 H LYS A 94 -7.159 -7.030 -5.552 1.00 0.00 H new ATOM 0 HA LYS A 94 -7.245 -7.484 -8.402 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -9.035 -5.704 -6.768 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -9.379 -6.509 -8.286 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -8.529 -8.478 -6.314 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -9.826 -7.506 -5.647 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -10.272 -8.336 -8.468 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -10.172 -9.676 -7.343 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -11.910 -8.584 -5.899 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -12.018 -7.258 -7.039 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -13.742 -8.893 -7.429 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -12.689 -8.829 -8.759 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -12.584 -10.114 -7.654 1.00 0.00 H new ATOM 1461 N HIS A 95 -6.155 -4.666 -7.219 1.00 0.00 N ATOM 1462 CA HIS A 95 -5.501 -3.400 -7.534 1.00 0.00 C ATOM 1463 C HIS A 95 -4.214 -3.664 -8.337 1.00 0.00 C ATOM 1464 O HIS A 95 -4.058 -3.220 -9.472 1.00 0.00 O ATOM 1465 CB HIS A 95 -5.283 -2.615 -6.232 1.00 0.00 C ATOM 1466 CG HIS A 95 -4.929 -1.153 -6.371 1.00 0.00 C ATOM 1467 ND1 HIS A 95 -4.993 -0.505 -7.538 1.00 0.00 N ATOM 1468 CD2 HIS A 95 -4.503 -0.231 -5.444 1.00 0.00 C ATOM 1469 CE1 HIS A 95 -4.621 0.771 -7.346 1.00 0.00 C ATOM 1470 NE2 HIS A 95 -4.308 0.993 -6.071 1.00 0.00 N ATOM 0 H HIS A 95 -6.151 -4.896 -6.225 1.00 0.00 H new ATOM 0 HA HIS A 95 -6.126 -2.777 -8.174 1.00 0.00 H new ATOM 0 HB2 HIS A 95 -6.191 -2.690 -5.634 1.00 0.00 H new ATOM 0 HB3 HIS A 95 -4.489 -3.105 -5.668 1.00 0.00 H new ATOM 0 HD1 HIS A 95 -5.278 -0.913 -8.429 1.00 0.00 H new ATOM 0 HD2 HIS A 95 -4.345 -0.428 -4.394 1.00 0.00 H new ATOM 0 HE1 HIS A 95 -4.581 1.519 -8.124 1.00 0.00 H new ATOM 1478 N CYS A 96 -3.294 -4.404 -7.714 1.00 0.00 N ATOM 1479 CA CYS A 96 -2.030 -4.743 -8.336 1.00 0.00 C ATOM 1480 C CYS A 96 -2.286 -5.414 -9.678 1.00 0.00 C ATOM 1481 O CYS A 96 -1.414 -5.356 -10.544 1.00 0.00 O ATOM 1482 CB CYS A 96 -1.239 -5.664 -7.411 1.00 0.00 C ATOM 1483 SG CYS A 96 -0.221 -4.648 -6.312 1.00 0.00 S ATOM 0 H CYS A 96 -3.411 -4.778 -6.772 1.00 0.00 H new ATOM 0 HA CYS A 96 -1.447 -3.838 -8.508 1.00 0.00 H new ATOM 0 HB2 CYS A 96 -1.917 -6.288 -6.829 1.00 0.00 H new ATOM 0 HB3 CYS A 96 -0.610 -6.336 -7.995 1.00 0.00 H new ATOM 1488 N ASN A 97 -3.451 -6.027 -9.826 1.00 0.00 N ATOM 1489 CA ASN A 97 -3.791 -6.698 -11.069 1.00 0.00 C ATOM 1490 C ASN A 97 -4.231 -5.657 -12.101 1.00 0.00 C ATOM 1491 O ASN A 97 -4.289 -5.948 -13.295 1.00 0.00 O ATOM 1492 CB ASN A 97 -4.945 -7.681 -10.867 1.00 0.00 C ATOM 1493 CG ASN A 97 -4.457 -9.128 -10.967 1.00 0.00 C ATOM 1494 OD1 ASN A 97 -3.895 -9.553 -11.963 1.00 0.00 O ATOM 1495 ND2 ASN A 97 -4.703 -9.858 -9.883 1.00 0.00 N ATOM 0 H ASN A 97 -4.172 -6.073 -9.106 1.00 0.00 H new ATOM 0 HA ASN A 97 -2.910 -7.242 -11.410 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -5.403 -7.514 -9.892 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -5.716 -7.501 -11.616 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -4.417 -10.836 -9.851 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -5.178 -9.439 -9.083 1.00 0.00 H new ATOM 1502 N ASP A 98 -4.531 -4.467 -11.603 1.00 0.00 N ATOM 1503 CA ASP A 98 -4.965 -3.382 -12.466 1.00 0.00 C ATOM 1504 C ASP A 98 -3.884 -2.300 -12.500 1.00 0.00 C ATOM 1505 O ASP A 98 -4.003 -1.321 -13.236 1.00 0.00 O ATOM 1506 CB ASP A 98 -6.255 -2.746 -11.946 1.00 0.00 C ATOM 1507 CG ASP A 98 -7.540 -3.259 -12.600 1.00 0.00 C ATOM 1508 OD1 ASP A 98 -7.427 -3.804 -13.719 1.00 0.00 O ATOM 1509 OD2 ASP A 98 -8.604 -3.095 -11.967 1.00 0.00 O ATOM 0 H ASP A 98 -4.482 -4.230 -10.612 1.00 0.00 H new ATOM 0 HA ASP A 98 -5.142 -3.792 -13.460 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -6.319 -2.917 -10.871 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -6.196 -1.668 -12.094 1.00 0.00 H new ATOM 1514 N ILE A 99 -2.854 -2.512 -11.694 1.00 0.00 N ATOM 1515 CA ILE A 99 -1.753 -1.566 -11.623 1.00 0.00 C ATOM 1516 C ILE A 99 -0.501 -2.201 -12.231 1.00 0.00 C ATOM 1517 O ILE A 99 0.080 -1.660 -13.170 1.00 0.00 O ATOM 1518 CB ILE A 99 -1.559 -1.078 -10.186 1.00 0.00 C ATOM 1519 CG1 ILE A 99 -2.823 -0.390 -9.665 1.00 0.00 C ATOM 1520 CG2 ILE A 99 -0.328 -0.176 -10.075 1.00 0.00 C ATOM 1521 CD1 ILE A 99 -3.194 0.809 -10.540 1.00 0.00 C ATOM 0 H ILE A 99 -2.759 -3.324 -11.085 1.00 0.00 H new ATOM 0 HA ILE A 99 -1.977 -0.676 -12.211 1.00 0.00 H new ATOM 0 HB ILE A 99 -1.380 -1.946 -9.551 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -3.648 -1.102 -9.648 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -2.665 -0.061 -8.638 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -0.213 0.157 -9.044 1.00 0.00 H new ATOM 0 HG22 ILE A 99 0.559 -0.732 -10.378 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -0.452 0.691 -10.724 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -4.095 1.280 -10.148 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -2.376 1.530 -10.535 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -3.375 0.472 -11.561 1.00 0.00 H new ATOM 1533 N LEU A 100 -0.122 -3.340 -11.670 1.00 0.00 N ATOM 1534 CA LEU A 100 1.051 -4.054 -12.145 1.00 0.00 C ATOM 1535 C LEU A 100 0.630 -5.059 -13.219 1.00 0.00 C ATOM 1536 O LEU A 100 1.468 -5.563 -13.965 1.00 0.00 O ATOM 1537 CB LEU A 100 1.804 -4.687 -10.973 1.00 0.00 C ATOM 1538 CG LEU A 100 2.612 -3.726 -10.097 1.00 0.00 C ATOM 1539 CD1 LEU A 100 3.293 -4.472 -8.948 1.00 0.00 C ATOM 1540 CD2 LEU A 100 3.612 -2.929 -10.937 1.00 0.00 C ATOM 0 H LEU A 100 -0.606 -3.786 -10.891 1.00 0.00 H new ATOM 0 HA LEU A 100 1.754 -3.364 -12.611 1.00 0.00 H new ATOM 0 HB2 LEU A 100 1.083 -5.204 -10.340 1.00 0.00 H new ATOM 0 HB3 LEU A 100 2.482 -5.444 -11.368 1.00 0.00 H new ATOM 0 HG LEU A 100 1.923 -3.009 -9.650 1.00 0.00 H new ATOM 0 HD11 LEU A 100 3.860 -3.766 -8.341 1.00 0.00 H new ATOM 0 HD12 LEU A 100 2.537 -4.956 -8.330 1.00 0.00 H new ATOM 0 HD13 LEU A 100 3.968 -5.226 -9.353 1.00 0.00 H new ATOM 0 HD21 LEU A 100 4.173 -2.254 -10.291 1.00 0.00 H new ATOM 0 HD22 LEU A 100 4.301 -3.615 -11.431 1.00 0.00 H new ATOM 0 HD23 LEU A 100 3.076 -2.350 -11.689 1.00 0.00 H new ATOM 1552 N GLY A 101 -0.668 -5.319 -13.264 1.00 0.00 N ATOM 1553 CA GLY A 101 -1.210 -6.255 -14.235 1.00 0.00 C ATOM 1554 C GLY A 101 -1.179 -7.686 -13.695 1.00 0.00 C ATOM 1555 O GLY A 101 -1.356 -8.642 -14.448 1.00 0.00 O ATOM 0 H GLY A 101 -1.360 -4.898 -12.644 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -2.235 -5.977 -14.480 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -0.635 -6.199 -15.159 1.00 0.00 H new ATOM 1559 N ALA A 102 -0.952 -7.788 -12.393 1.00 0.00 N ATOM 1560 CA ALA A 102 -0.895 -9.086 -11.743 1.00 0.00 C ATOM 1561 C ALA A 102 -1.092 -8.906 -10.237 1.00 0.00 C ATOM 1562 O ALA A 102 -1.444 -7.821 -9.778 1.00 0.00 O ATOM 1563 CB ALA A 102 0.433 -9.768 -12.081 1.00 0.00 C ATOM 0 H ALA A 102 -0.805 -6.993 -11.771 1.00 0.00 H new ATOM 0 HA ALA A 102 -1.695 -9.732 -12.105 1.00 0.00 H new ATOM 0 HB1 ALA A 102 0.476 -10.742 -11.594 1.00 0.00 H new ATOM 0 HB2 ALA A 102 0.511 -9.899 -13.160 1.00 0.00 H new ATOM 0 HB3 ALA A 102 1.259 -9.150 -11.730 1.00 0.00 H new ATOM 1569 N ASP A 103 -0.855 -9.988 -9.508 1.00 0.00 N ATOM 1570 CA ASP A 103 -1.002 -9.963 -8.063 1.00 0.00 C ATOM 1571 C ASP A 103 0.366 -9.731 -7.419 1.00 0.00 C ATOM 1572 O ASP A 103 1.313 -10.491 -7.609 1.00 0.00 O ATOM 1573 CB ASP A 103 -1.550 -11.293 -7.542 1.00 0.00 C ATOM 1574 CG ASP A 103 -2.423 -11.187 -6.291 1.00 0.00 C ATOM 1575 OD1 ASP A 103 -2.317 -10.143 -5.611 1.00 0.00 O ATOM 1576 OD2 ASP A 103 -3.178 -12.153 -6.041 1.00 0.00 O ATOM 0 H ASP A 103 -0.562 -10.887 -9.892 1.00 0.00 H new ATOM 0 HA ASP A 103 -1.696 -9.162 -7.809 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -2.132 -11.764 -8.334 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -0.711 -11.955 -7.326 1.00 0.00 H new ATOM 1581 N CYS A 104 0.449 -8.648 -6.644 1.00 0.00 N ATOM 1582 CA CYS A 104 1.673 -8.284 -5.959 1.00 0.00 C ATOM 1583 C CYS A 104 2.063 -9.391 -4.990 1.00 0.00 C ATOM 1584 O CYS A 104 1.209 -10.206 -4.648 1.00 0.00 O ATOM 1585 CB CYS A 104 1.469 -6.964 -5.221 1.00 0.00 C ATOM 1586 SG CYS A 104 1.533 -5.611 -6.422 1.00 0.00 S ATOM 0 H CYS A 104 -0.328 -8.008 -6.480 1.00 0.00 H new ATOM 0 HA CYS A 104 2.479 -8.157 -6.682 1.00 0.00 H new ATOM 0 HB2 CYS A 104 0.510 -6.965 -4.704 1.00 0.00 H new ATOM 0 HB3 CYS A 104 2.240 -6.832 -4.462 1.00 0.00 H new ATOM 1591 N SER A 105 3.321 -9.401 -4.572 1.00 0.00 N ATOM 1592 CA SER A 105 3.793 -10.417 -3.647 1.00 0.00 C ATOM 1593 C SER A 105 3.265 -10.128 -2.240 1.00 0.00 C ATOM 1594 O SER A 105 3.152 -8.984 -1.807 1.00 0.00 O ATOM 1595 CB SER A 105 5.321 -10.485 -3.636 1.00 0.00 C ATOM 1596 OG SER A 105 5.872 -10.307 -4.938 1.00 0.00 O ATOM 0 H SER A 105 4.027 -8.722 -4.857 1.00 0.00 H new ATOM 0 HA SER A 105 3.416 -11.384 -3.979 1.00 0.00 H new ATOM 0 HB2 SER A 105 5.713 -9.718 -2.968 1.00 0.00 H new ATOM 0 HB3 SER A 105 5.638 -11.448 -3.236 1.00 0.00 H new ATOM 0 HG SER A 105 6.850 -10.355 -4.889 1.00 0.00 H new ATOM 1602 N PRO A 106 2.941 -11.209 -1.526 1.00 0.00 N ATOM 1603 CA PRO A 106 2.425 -11.170 -0.175 1.00 0.00 C ATOM 1604 C PRO A 106 3.453 -10.528 0.746 1.00 0.00 C ATOM 1605 O PRO A 106 3.079 -10.060 1.820 1.00 0.00 O ATOM 1606 CB PRO A 106 2.193 -12.632 0.199 1.00 0.00 C ATOM 1607 CG PRO A 106 3.170 -13.422 -0.741 1.00 0.00 C ATOM 1608 CD PRO A 106 3.062 -12.570 -2.003 1.00 0.00 C ATOM 0 HA PRO A 106 1.510 -10.585 -0.088 1.00 0.00 H new ATOM 0 HB2 PRO A 106 2.415 -12.815 1.250 1.00 0.00 H new ATOM 0 HB3 PRO A 106 1.156 -12.926 0.036 1.00 0.00 H new ATOM 0 HG2 PRO A 106 4.186 -13.461 -0.349 1.00 0.00 H new ATOM 0 HG3 PRO A 106 2.852 -14.452 -0.904 1.00 0.00 H new ATOM 0 HD2 PRO A 106 3.941 -12.690 -2.637 1.00 0.00 H new ATOM 0 HD3 PRO A 106 2.197 -12.857 -2.601 1.00 0.00 H new ATOM 1616 N SER A 107 4.708 -10.519 0.320 1.00 0.00 N ATOM 1617 CA SER A 107 5.767 -9.932 1.123 1.00 0.00 C ATOM 1618 C SER A 107 5.802 -8.417 0.917 1.00 0.00 C ATOM 1619 O SER A 107 6.100 -7.667 1.845 1.00 0.00 O ATOM 1620 CB SER A 107 7.125 -10.547 0.779 1.00 0.00 C ATOM 1621 OG SER A 107 7.417 -10.450 -0.613 1.00 0.00 O ATOM 0 H SER A 107 5.015 -10.909 -0.571 1.00 0.00 H new ATOM 0 HA SER A 107 5.558 -10.144 2.172 1.00 0.00 H new ATOM 0 HB2 SER A 107 7.906 -10.044 1.349 1.00 0.00 H new ATOM 0 HB3 SER A 107 7.135 -11.595 1.080 1.00 0.00 H new ATOM 0 HG SER A 107 8.293 -10.852 -0.792 1.00 0.00 H new ATOM 1627 N GLU A 108 5.494 -8.011 -0.306 1.00 0.00 N ATOM 1628 CA GLU A 108 5.486 -6.598 -0.646 1.00 0.00 C ATOM 1629 C GLU A 108 4.242 -5.920 -0.071 1.00 0.00 C ATOM 1630 O GLU A 108 4.170 -4.694 -0.012 1.00 0.00 O ATOM 1631 CB GLU A 108 5.568 -6.399 -2.161 1.00 0.00 C ATOM 1632 CG GLU A 108 6.707 -7.225 -2.762 1.00 0.00 C ATOM 1633 CD GLU A 108 8.038 -6.476 -2.665 1.00 0.00 C ATOM 1634 OE1 GLU A 108 8.244 -5.572 -3.504 1.00 0.00 O ATOM 1635 OE2 GLU A 108 8.819 -6.824 -1.753 1.00 0.00 O ATOM 0 H GLU A 108 5.248 -8.636 -1.074 1.00 0.00 H new ATOM 0 HA GLU A 108 6.366 -6.133 -0.203 1.00 0.00 H new ATOM 0 HB2 GLU A 108 4.623 -6.688 -2.621 1.00 0.00 H new ATOM 0 HB3 GLU A 108 5.722 -5.343 -2.385 1.00 0.00 H new ATOM 0 HG2 GLU A 108 6.784 -8.179 -2.240 1.00 0.00 H new ATOM 0 HG3 GLU A 108 6.487 -7.449 -3.806 1.00 0.00 H new ATOM 1642 N LYS A 109 3.292 -6.748 0.340 1.00 0.00 N ATOM 1643 CA LYS A 109 2.054 -6.243 0.909 1.00 0.00 C ATOM 1644 C LYS A 109 2.300 -5.820 2.359 1.00 0.00 C ATOM 1645 O LYS A 109 2.101 -4.658 2.712 1.00 0.00 O ATOM 1646 CB LYS A 109 0.933 -7.273 0.751 1.00 0.00 C ATOM 1647 CG LYS A 109 -0.428 -6.586 0.626 1.00 0.00 C ATOM 1648 CD LYS A 109 -0.777 -6.322 -0.840 1.00 0.00 C ATOM 1649 CE LYS A 109 -1.145 -7.621 -1.559 1.00 0.00 C ATOM 1650 NZ LYS A 109 -2.351 -8.226 -0.949 1.00 0.00 N ATOM 0 H LYS A 109 3.355 -7.765 0.290 1.00 0.00 H new ATOM 0 HA LYS A 109 1.720 -5.357 0.370 1.00 0.00 H new ATOM 0 HB2 LYS A 109 1.118 -7.885 -0.132 1.00 0.00 H new ATOM 0 HB3 LYS A 109 0.928 -7.945 1.609 1.00 0.00 H new ATOM 0 HG2 LYS A 109 -1.198 -7.211 1.080 1.00 0.00 H new ATOM 0 HG3 LYS A 109 -0.416 -5.645 1.176 1.00 0.00 H new ATOM 0 HD2 LYS A 109 -1.610 -5.621 -0.899 1.00 0.00 H new ATOM 0 HD3 LYS A 109 0.070 -5.853 -1.340 1.00 0.00 H new ATOM 0 HE2 LYS A 109 -1.326 -7.421 -2.615 1.00 0.00 H new ATOM 0 HE3 LYS A 109 -0.312 -8.322 -1.505 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 -2.100 -9.137 -0.515 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 -2.729 -7.587 -0.220 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 -3.072 -8.379 -1.683 1.00 0.00 H new ATOM 1664 N ALA A 110 2.729 -6.784 3.159 1.00 0.00 N ATOM 1665 CA ALA A 110 3.003 -6.526 4.562 1.00 0.00 C ATOM 1666 C ALA A 110 4.073 -5.438 4.676 1.00 0.00 C ATOM 1667 O ALA A 110 4.152 -4.742 5.687 1.00 0.00 O ATOM 1668 CB ALA A 110 3.420 -7.828 5.250 1.00 0.00 C ATOM 0 H ALA A 110 2.894 -7.746 2.862 1.00 0.00 H new ATOM 0 HA ALA A 110 2.108 -6.163 5.067 1.00 0.00 H new ATOM 0 HB1 ALA A 110 3.625 -7.634 6.303 1.00 0.00 H new ATOM 0 HB2 ALA A 110 2.615 -8.558 5.166 1.00 0.00 H new ATOM 0 HB3 ALA A 110 4.317 -8.221 4.772 1.00 0.00 H new ATOM 1674 N ASN A 111 4.871 -5.325 3.624 1.00 0.00 N ATOM 1675 CA ASN A 111 5.933 -4.334 3.593 1.00 0.00 C ATOM 1676 C ASN A 111 5.318 -2.936 3.507 1.00 0.00 C ATOM 1677 O ASN A 111 5.798 -2.002 4.148 1.00 0.00 O ATOM 1678 CB ASN A 111 6.834 -4.530 2.372 1.00 0.00 C ATOM 1679 CG ASN A 111 8.111 -3.697 2.493 1.00 0.00 C ATOM 1680 OD1 ASN A 111 9.196 -4.206 2.719 1.00 0.00 O ATOM 1681 ND2 ASN A 111 7.922 -2.390 2.332 1.00 0.00 N ATOM 0 H ASN A 111 4.803 -5.904 2.787 1.00 0.00 H new ATOM 0 HA ASN A 111 6.526 -4.447 4.501 1.00 0.00 H new ATOM 0 HB2 ASN A 111 7.092 -5.584 2.271 1.00 0.00 H new ATOM 0 HB3 ASN A 111 6.295 -4.246 1.468 1.00 0.00 H new ATOM 0 HD21 ASN A 111 8.713 -1.749 2.396 1.00 0.00 H new ATOM 0 HD22 ASN A 111 6.986 -2.029 2.145 1.00 0.00 H new ATOM 1688 N PHE A 112 4.264 -2.836 2.710 1.00 0.00 N ATOM 1689 CA PHE A 112 3.578 -1.568 2.533 1.00 0.00 C ATOM 1690 C PHE A 112 2.698 -1.246 3.742 1.00 0.00 C ATOM 1691 O PHE A 112 2.714 -0.123 4.245 1.00 0.00 O ATOM 1692 CB PHE A 112 2.690 -1.709 1.294 1.00 0.00 C ATOM 1693 CG PHE A 112 2.045 -0.399 0.838 1.00 0.00 C ATOM 1694 CD1 PHE A 112 2.826 0.649 0.464 1.00 0.00 C ATOM 1695 CD2 PHE A 112 0.690 -0.283 0.807 1.00 0.00 C ATOM 1696 CE1 PHE A 112 2.228 1.865 0.040 1.00 0.00 C ATOM 1697 CE2 PHE A 112 0.092 0.933 0.384 1.00 0.00 C ATOM 1698 CZ PHE A 112 0.873 1.982 0.009 1.00 0.00 C ATOM 0 H PHE A 112 3.869 -3.613 2.180 1.00 0.00 H new ATOM 0 HA PHE A 112 4.306 -0.764 2.423 1.00 0.00 H new ATOM 0 HB2 PHE A 112 3.287 -2.112 0.476 1.00 0.00 H new ATOM 0 HB3 PHE A 112 1.905 -2.435 1.503 1.00 0.00 H new ATOM 0 HD1 PHE A 112 3.902 0.557 0.489 1.00 0.00 H new ATOM 0 HD2 PHE A 112 0.070 -1.116 1.104 1.00 0.00 H new ATOM 0 HE1 PHE A 112 2.849 2.697 -0.258 1.00 0.00 H new ATOM 0 HE2 PHE A 112 -0.984 1.025 0.360 1.00 0.00 H new ATOM 0 HZ PHE A 112 0.418 2.907 -0.313 1.00 0.00 H new ATOM 1708 N ILE A 113 1.951 -2.251 4.175 1.00 0.00 N ATOM 1709 CA ILE A 113 1.067 -2.089 5.316 1.00 0.00 C ATOM 1710 C ILE A 113 1.861 -1.523 6.495 1.00 0.00 C ATOM 1711 O ILE A 113 1.356 -0.687 7.243 1.00 0.00 O ATOM 1712 CB ILE A 113 0.353 -3.405 5.632 1.00 0.00 C ATOM 1713 CG1 ILE A 113 -0.854 -3.608 4.713 1.00 0.00 C ATOM 1714 CG2 ILE A 113 -0.034 -3.478 7.110 1.00 0.00 C ATOM 1715 CD1 ILE A 113 -0.806 -4.982 4.041 1.00 0.00 C ATOM 0 H ILE A 113 1.940 -3.181 3.756 1.00 0.00 H new ATOM 0 HA ILE A 113 0.279 -1.372 5.088 1.00 0.00 H new ATOM 0 HB ILE A 113 1.046 -4.224 5.440 1.00 0.00 H new ATOM 0 HG12 ILE A 113 -1.774 -3.513 5.289 1.00 0.00 H new ATOM 0 HG13 ILE A 113 -0.872 -2.827 3.952 1.00 0.00 H new ATOM 0 HG21 ILE A 113 -0.540 -4.423 7.307 1.00 0.00 H new ATOM 0 HG22 ILE A 113 0.864 -3.411 7.725 1.00 0.00 H new ATOM 0 HG23 ILE A 113 -0.702 -2.651 7.352 1.00 0.00 H new ATOM 0 HD11 ILE A 113 -1.675 -5.101 3.394 1.00 0.00 H new ATOM 0 HD12 ILE A 113 0.104 -5.065 3.446 1.00 0.00 H new ATOM 0 HD13 ILE A 113 -0.813 -5.761 4.804 1.00 0.00 H new ATOM 1727 N ALA A 114 3.090 -2.000 6.624 1.00 0.00 N ATOM 1728 CA ALA A 114 3.958 -1.552 7.699 1.00 0.00 C ATOM 1729 C ALA A 114 4.319 -0.081 7.477 1.00 0.00 C ATOM 1730 O ALA A 114 4.030 0.792 8.293 1.00 0.00 O ATOM 1731 CB ALA A 114 5.194 -2.451 7.766 1.00 0.00 C ATOM 0 H ALA A 114 3.505 -2.693 6.001 1.00 0.00 H new ATOM 0 HA ALA A 114 3.449 -1.626 8.660 1.00 0.00 H new ATOM 0 HB1 ALA A 114 5.845 -2.115 8.573 1.00 0.00 H new ATOM 0 HB2 ALA A 114 4.886 -3.480 7.953 1.00 0.00 H new ATOM 0 HB3 ALA A 114 5.733 -2.400 6.820 1.00 0.00 H new ATOM 1737 N TYR A 115 4.966 0.175 6.338 1.00 0.00 N ATOM 1738 CA TYR A 115 5.379 1.518 5.982 1.00 0.00 C ATOM 1739 C TYR A 115 4.188 2.461 6.055 1.00 0.00 C ATOM 1740 O TYR A 115 4.367 3.618 6.434 1.00 0.00 O ATOM 1741 CB TYR A 115 5.976 1.508 4.577 1.00 0.00 C ATOM 1742 CG TYR A 115 7.181 2.406 4.428 1.00 0.00 C ATOM 1743 CD1 TYR A 115 7.015 3.746 4.061 1.00 0.00 C ATOM 1744 CD2 TYR A 115 8.465 1.897 4.657 1.00 0.00 C ATOM 1745 CE1 TYR A 115 8.132 4.578 3.922 1.00 0.00 C ATOM 1746 CE2 TYR A 115 9.583 2.729 4.519 1.00 0.00 C ATOM 1747 CZ TYR A 115 9.416 4.070 4.151 1.00 0.00 C ATOM 1748 OH TYR A 115 10.505 4.880 4.016 1.00 0.00 O ATOM 0 H TYR A 115 5.212 -0.537 5.651 1.00 0.00 H new ATOM 0 HA TYR A 115 6.136 1.868 6.683 1.00 0.00 H new ATOM 0 HB2 TYR A 115 6.259 0.488 4.318 1.00 0.00 H new ATOM 0 HB3 TYR A 115 5.212 1.817 3.864 1.00 0.00 H new ATOM 0 HD1 TYR A 115 6.024 4.139 3.885 1.00 0.00 H new ATOM 0 HD2 TYR A 115 8.593 0.863 4.940 1.00 0.00 H new ATOM 0 HE1 TYR A 115 8.003 5.612 3.638 1.00 0.00 H new ATOM 0 HE2 TYR A 115 10.574 2.337 4.696 1.00 0.00 H new ATOM 0 HH TYR A 115 11.318 4.370 4.212 1.00 0.00 H new ATOM 1758 N LEU A 116 3.013 1.963 5.698 1.00 0.00 N ATOM 1759 CA LEU A 116 1.812 2.780 5.732 1.00 0.00 C ATOM 1760 C LEU A 116 1.428 3.055 7.187 1.00 0.00 C ATOM 1761 O LEU A 116 1.043 4.172 7.530 1.00 0.00 O ATOM 1762 CB LEU A 116 0.696 2.125 4.915 1.00 0.00 C ATOM 1763 CG LEU A 116 0.516 2.646 3.487 1.00 0.00 C ATOM 1764 CD1 LEU A 116 -0.690 1.989 2.812 1.00 0.00 C ATOM 1765 CD2 LEU A 116 0.423 4.173 3.468 1.00 0.00 C ATOM 0 H LEU A 116 2.867 1.004 5.384 1.00 0.00 H new ATOM 0 HA LEU A 116 1.995 3.746 5.262 1.00 0.00 H new ATOM 0 HB2 LEU A 116 0.888 1.053 4.868 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -0.244 2.257 5.450 1.00 0.00 H new ATOM 0 HG LEU A 116 1.398 2.371 2.909 1.00 0.00 H new ATOM 0 HD11 LEU A 116 -0.796 2.377 1.799 1.00 0.00 H new ATOM 0 HD12 LEU A 116 -0.543 0.910 2.774 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -1.592 2.212 3.382 1.00 0.00 H new ATOM 0 HD21 LEU A 116 0.295 4.517 2.442 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -0.430 4.493 4.067 1.00 0.00 H new ATOM 0 HD23 LEU A 116 1.337 4.598 3.882 1.00 0.00 H new ATOM 1777 N LEU A 117 1.546 2.018 8.003 1.00 0.00 N ATOM 1778 CA LEU A 117 1.217 2.134 9.413 1.00 0.00 C ATOM 1779 C LEU A 117 2.478 2.498 10.199 1.00 0.00 C ATOM 1780 O LEU A 117 2.600 2.160 11.376 1.00 0.00 O ATOM 1781 CB LEU A 117 0.529 0.861 9.910 1.00 0.00 C ATOM 1782 CG LEU A 117 1.455 -0.295 10.296 1.00 0.00 C ATOM 1783 CD1 LEU A 117 1.768 -0.269 11.793 1.00 0.00 C ATOM 1784 CD2 LEU A 117 0.869 -1.637 9.855 1.00 0.00 C ATOM 0 H LEU A 117 1.865 1.093 7.714 1.00 0.00 H new ATOM 0 HA LEU A 117 0.499 2.939 9.571 1.00 0.00 H new ATOM 0 HB2 LEU A 117 -0.081 1.116 10.776 1.00 0.00 H new ATOM 0 HB3 LEU A 117 -0.151 0.512 9.133 1.00 0.00 H new ATOM 0 HG LEU A 117 2.400 -0.168 9.768 1.00 0.00 H new ATOM 0 HD11 LEU A 117 2.428 -1.101 12.041 1.00 0.00 H new ATOM 0 HD12 LEU A 117 2.258 0.671 12.046 1.00 0.00 H new ATOM 0 HD13 LEU A 117 0.841 -0.359 12.360 1.00 0.00 H new ATOM 0 HD21 LEU A 117 1.546 -2.442 10.141 1.00 0.00 H new ATOM 0 HD22 LEU A 117 -0.097 -1.788 10.336 1.00 0.00 H new ATOM 0 HD23 LEU A 117 0.740 -1.639 8.773 1.00 0.00 H new ATOM 1796 N THR A 118 3.385 3.182 9.517 1.00 0.00 N ATOM 1797 CA THR A 118 4.633 3.595 10.137 1.00 0.00 C ATOM 1798 C THR A 118 4.707 5.121 10.219 1.00 0.00 C ATOM 1799 O THR A 118 4.741 5.687 11.311 1.00 0.00 O ATOM 1800 CB THR A 118 5.783 2.972 9.344 1.00 0.00 C ATOM 1801 OG1 THR A 118 5.857 1.635 9.832 1.00 0.00 O ATOM 1802 CG2 THR A 118 7.141 3.577 9.709 1.00 0.00 C ATOM 0 H THR A 118 3.281 3.461 8.541 1.00 0.00 H new ATOM 0 HA THR A 118 4.700 3.242 11.166 1.00 0.00 H new ATOM 0 HB THR A 118 5.601 3.104 8.277 1.00 0.00 H new ATOM 0 HG1 THR A 118 5.046 1.148 9.575 1.00 0.00 H new ATOM 0 HG21 THR A 118 7.923 3.100 9.118 1.00 0.00 H new ATOM 0 HG22 THR A 118 7.131 4.647 9.501 1.00 0.00 H new ATOM 0 HG23 THR A 118 7.338 3.416 10.769 1.00 0.00 H new ATOM 1810 N GLU A 119 4.731 5.744 9.050 1.00 0.00 N ATOM 1811 CA GLU A 119 4.801 7.194 8.976 1.00 0.00 C ATOM 1812 C GLU A 119 3.568 7.819 9.631 1.00 0.00 C ATOM 1813 O GLU A 119 2.461 7.715 9.104 1.00 0.00 O ATOM 1814 CB GLU A 119 4.949 7.662 7.527 1.00 0.00 C ATOM 1815 CG GLU A 119 6.173 7.024 6.866 1.00 0.00 C ATOM 1816 CD GLU A 119 7.000 8.070 6.116 1.00 0.00 C ATOM 1817 OE1 GLU A 119 7.214 9.152 6.704 1.00 0.00 O ATOM 1818 OE2 GLU A 119 7.400 7.764 4.972 1.00 0.00 O ATOM 0 H GLU A 119 4.703 5.272 8.146 1.00 0.00 H new ATOM 0 HA GLU A 119 5.685 7.524 9.522 1.00 0.00 H new ATOM 0 HB2 GLU A 119 4.052 7.404 6.964 1.00 0.00 H new ATOM 0 HB3 GLU A 119 5.041 8.748 7.500 1.00 0.00 H new ATOM 0 HG2 GLU A 119 6.791 6.543 7.624 1.00 0.00 H new ATOM 0 HG3 GLU A 119 5.852 6.245 6.174 1.00 0.00 H new ATOM 1825 N THR A 120 3.801 8.455 10.769 1.00 0.00 N ATOM 1826 CA THR A 120 2.723 9.097 11.502 1.00 0.00 C ATOM 1827 C THR A 120 2.832 10.619 11.386 1.00 0.00 C ATOM 1828 O THR A 120 2.861 11.321 12.396 1.00 0.00 O ATOM 1829 CB THR A 120 2.767 8.593 12.946 1.00 0.00 C ATOM 1830 OG1 THR A 120 3.977 9.135 13.467 1.00 0.00 O ATOM 1831 CG2 THR A 120 2.969 7.079 13.032 1.00 0.00 C ATOM 0 H THR A 120 4.721 8.540 11.202 1.00 0.00 H new ATOM 0 HA THR A 120 1.751 8.839 11.082 1.00 0.00 H new ATOM 0 HB THR A 120 1.841 8.865 13.453 1.00 0.00 H new ATOM 0 HG1 THR A 120 3.896 10.109 13.537 1.00 0.00 H new ATOM 0 HG21 THR A 120 2.993 6.774 14.078 1.00 0.00 H new ATOM 0 HG22 THR A 120 2.147 6.573 12.525 1.00 0.00 H new ATOM 0 HG23 THR A 120 3.911 6.810 12.554 1.00 0.00 H new ATOM 1839 N LYS A 121 2.889 11.083 10.147 1.00 0.00 N ATOM 1840 CA LYS A 121 2.995 12.509 9.886 1.00 0.00 C ATOM 1841 C LYS A 121 2.950 12.751 8.376 1.00 0.00 C ATOM 1842 O LYS A 121 3.443 11.962 7.573 1.00 0.00 O ATOM 1843 CB LYS A 121 4.238 13.087 10.565 1.00 0.00 C ATOM 1844 CG LYS A 121 5.514 12.460 10.000 1.00 0.00 C ATOM 1845 CD LYS A 121 6.182 13.392 8.988 1.00 0.00 C ATOM 1846 CE LYS A 121 7.465 13.995 9.562 1.00 0.00 C ATOM 1847 NZ LYS A 121 7.147 15.120 10.471 1.00 0.00 N ATOM 0 H LYS A 121 2.864 10.497 9.312 1.00 0.00 H new ATOM 0 HA LYS A 121 2.148 13.040 10.320 1.00 0.00 H new ATOM 0 HB2 LYS A 121 4.265 14.167 10.422 1.00 0.00 H new ATOM 0 HB3 LYS A 121 4.186 12.909 11.639 1.00 0.00 H new ATOM 0 HG2 LYS A 121 6.207 12.243 10.813 1.00 0.00 H new ATOM 0 HG3 LYS A 121 5.276 11.510 9.522 1.00 0.00 H new ATOM 0 HD2 LYS A 121 6.411 12.840 8.076 1.00 0.00 H new ATOM 0 HD3 LYS A 121 5.492 14.190 8.713 1.00 0.00 H new ATOM 0 HE2 LYS A 121 8.024 13.230 10.102 1.00 0.00 H new ATOM 0 HE3 LYS A 121 8.104 14.344 8.751 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 8.029 15.518 10.852 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 6.633 15.856 9.946 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 6.555 14.777 11.254 1.00 0.00 H new ATOM 1861 N PRO A 122 2.339 13.878 8.003 1.00 0.00 N ATOM 1862 CA PRO A 122 2.183 14.306 6.629 1.00 0.00 C ATOM 1863 C PRO A 122 3.457 14.994 6.162 1.00 0.00 C ATOM 1864 O PRO A 122 4.309 15.297 6.996 1.00 0.00 O ATOM 1865 CB PRO A 122 1.010 15.283 6.654 1.00 0.00 C ATOM 1866 CG PRO A 122 1.162 15.922 8.030 1.00 0.00 C ATOM 1867 CD PRO A 122 1.748 14.829 8.920 1.00 0.00 C ATOM 0 HA PRO A 122 1.999 13.478 5.944 1.00 0.00 H new ATOM 0 HB2 PRO A 122 1.074 16.019 5.853 1.00 0.00 H new ATOM 0 HB3 PRO A 122 0.052 14.774 6.543 1.00 0.00 H new ATOM 0 HG2 PRO A 122 1.819 16.791 7.990 1.00 0.00 H new ATOM 0 HG3 PRO A 122 0.201 16.267 8.412 1.00 0.00 H new ATOM 0 HD2 PRO A 122 2.494 15.234 9.604 1.00 0.00 H new ATOM 0 HD3 PRO A 122 0.976 14.361 9.531 1.00 0.00 H new ATOM 1875 N THR A 123 3.566 15.224 4.861 1.00 0.00 N ATOM 1876 CA THR A 123 4.743 15.874 4.312 1.00 0.00 C ATOM 1877 C THR A 123 5.983 15.005 4.531 1.00 0.00 C ATOM 1878 O THR A 123 6.973 15.463 5.100 1.00 0.00 O ATOM 1879 CB THR A 123 4.854 17.263 4.944 1.00 0.00 C ATOM 1880 OG1 THR A 123 3.731 17.971 4.427 1.00 0.00 O ATOM 1881 CG2 THR A 123 6.061 18.048 4.425 1.00 0.00 C ATOM 0 H THR A 123 2.858 14.971 4.172 1.00 0.00 H new ATOM 0 HA THR A 123 4.659 15.999 3.232 1.00 0.00 H new ATOM 0 HB THR A 123 4.924 17.164 6.027 1.00 0.00 H new ATOM 0 HG1 THR A 123 3.725 18.882 4.787 1.00 0.00 H new ATOM 0 HG21 THR A 123 6.093 19.026 4.905 1.00 0.00 H new ATOM 0 HG22 THR A 123 6.976 17.501 4.653 1.00 0.00 H new ATOM 0 HG23 THR A 123 5.975 18.176 3.346 1.00 0.00 H new ATOM 1889 N LYS A 124 5.889 13.768 4.067 1.00 0.00 N ATOM 1890 CA LYS A 124 6.991 12.831 4.204 1.00 0.00 C ATOM 1891 C LYS A 124 7.364 12.704 5.683 1.00 0.00 C ATOM 1892 O LYS A 124 8.528 12.859 6.048 1.00 0.00 O ATOM 1893 CB LYS A 124 8.160 13.244 3.308 1.00 0.00 C ATOM 1894 CG LYS A 124 8.319 12.277 2.133 1.00 0.00 C ATOM 1895 CD LYS A 124 9.213 11.095 2.513 1.00 0.00 C ATOM 1896 CE LYS A 124 10.679 11.392 2.195 1.00 0.00 C ATOM 1897 NZ LYS A 124 11.481 11.435 3.438 1.00 0.00 N ATOM 1898 OXT LYS A 124 6.439 12.438 6.481 1.00 0.00 O ATOM 0 H LYS A 124 5.066 13.392 3.595 1.00 0.00 H new ATOM 0 HA LYS A 124 6.694 11.839 3.863 1.00 0.00 H new ATOM 0 HB2 LYS A 124 7.996 14.254 2.933 1.00 0.00 H new ATOM 0 HB3 LYS A 124 9.080 13.267 3.892 1.00 0.00 H new ATOM 0 HG2 LYS A 124 7.340 11.912 1.823 1.00 0.00 H new ATOM 0 HG3 LYS A 124 8.748 12.803 1.280 1.00 0.00 H new ATOM 0 HD2 LYS A 124 9.104 10.879 3.576 1.00 0.00 H new ATOM 0 HD3 LYS A 124 8.893 10.204 1.973 1.00 0.00 H new ATOM 0 HE2 LYS A 124 11.074 10.627 1.527 1.00 0.00 H new ATOM 0 HE3 LYS A 124 10.758 12.345 1.671 1.00 0.00 H new ATOM 0 HZ1 LYS A 124 12.474 11.638 3.204 1.00 0.00 H new ATOM 0 HZ2 LYS A 124 11.113 12.181 4.063 1.00 0.00 H new ATOM 0 HZ3 LYS A 124 11.420 10.517 3.922 1.00 0.00 H new TER 1912 LYS A 124 HETATM 1913 FE HEC A 125 -3.716 2.694 -5.329 1.00 0.00 FE HETATM 1914 CHA HEC A 125 -6.568 2.672 -3.378 1.00 0.00 C HETATM 1915 CHB HEC A 125 -2.051 0.916 -2.894 1.00 0.00 C HETATM 1916 CHC HEC A 125 -0.875 2.556 -7.327 1.00 0.00 C HETATM 1917 CHD HEC A 125 -5.353 4.610 -7.679 1.00 0.00 C HETATM 1918 NA HEC A 125 -4.206 1.971 -3.509 1.00 0.00 N HETATM 1919 C1A HEC A 125 -5.440 2.023 -2.885 1.00 0.00 C HETATM 1920 C2A HEC A 125 -5.401 1.303 -1.634 1.00 0.00 C HETATM 1921 C3A HEC A 125 -4.150 0.815 -1.497 1.00 0.00 C HETATM 1922 C4A HEC A 125 -3.403 1.228 -2.662 1.00 0.00 C HETATM 1923 CMA HEC A 125 -3.596 -0.004 -0.368 1.00 0.00 C HETATM 1924 CAA HEC A 125 -6.560 1.152 -0.693 1.00 0.00 C HETATM 1925 CBA HEC A 125 -7.729 0.358 -1.270 1.00 0.00 C HETATM 1926 CGA HEC A 125 -8.597 -0.222 -0.163 1.00 0.00 C HETATM 1927 O1A HEC A 125 -8.862 -1.442 -0.231 1.00 0.00 O HETATM 1928 O2A HEC A 125 -8.978 0.564 0.731 1.00 0.00 O HETATM 1929 NB HEC A 125 -1.819 1.969 -5.113 1.00 0.00 N HETATM 1930 C1B HEC A 125 -1.386 1.136 -4.096 1.00 0.00 C HETATM 1931 C2B HEC A 125 -0.132 0.516 -4.455 1.00 0.00 C HETATM 1932 C3B HEC A 125 0.197 0.969 -5.683 1.00 0.00 C HETATM 1933 C4B HEC A 125 -0.850 1.873 -6.097 1.00 0.00 C HETATM 1934 CMB HEC A 125 0.629 -0.446 -3.591 1.00 0.00 C HETATM 1935 CAB HEC A 125 1.408 0.626 -6.501 1.00 0.00 C HETATM 1936 CBB HEC A 125 1.668 -0.872 -6.628 1.00 0.00 C HETATM 1937 NC HEC A 125 -3.276 3.347 -7.202 1.00 0.00 N HETATM 1938 C1C HEC A 125 -2.026 3.333 -7.795 1.00 0.00 C HETATM 1939 C2C HEC A 125 -1.987 4.257 -8.904 1.00 0.00 C HETATM 1940 C3C HEC A 125 -3.206 4.830 -8.986 1.00 0.00 C HETATM 1941 C4C HEC A 125 -4.012 4.267 -7.928 1.00 0.00 C HETATM 1942 CMC HEC A 125 -0.790 4.502 -9.776 1.00 0.00 C HETATM 1943 CAC HEC A 125 -3.679 5.860 -9.970 1.00 0.00 C HETATM 1944 CBC HEC A 125 -3.679 5.380 -11.418 1.00 0.00 C HETATM 1945 ND HEC A 125 -5.565 3.489 -5.491 1.00 0.00 N HETATM 1946 C1D HEC A 125 -6.067 4.231 -6.546 1.00 0.00 C HETATM 1947 C2D HEC A 125 -7.452 4.564 -6.310 1.00 0.00 C HETATM 1948 C3D HEC A 125 -7.792 4.029 -5.119 1.00 0.00 C HETATM 1949 C4D HEC A 125 -6.620 3.358 -4.605 1.00 0.00 C HETATM 1950 CMD HEC A 125 -8.315 5.361 -7.245 1.00 0.00 C HETATM 1951 CAD HEC A 125 -9.120 4.092 -4.422 1.00 0.00 C HETATM 1952 CBD HEC A 125 -9.191 5.142 -3.317 1.00 0.00 C HETATM 1953 CGD HEC A 125 -8.157 6.237 -3.534 1.00 0.00 C HETATM 1954 O1D HEC A 125 -7.653 6.751 -2.513 1.00 0.00 O HETATM 1955 O2D HEC A 125 -7.890 6.539 -4.717 1.00 0.00 O HETATM 0 HMD3 HEC A 125 -7.879 6.350 -7.389 1.00 0.00 H new HETATM 0 HMD2 HEC A 125 -8.379 4.850 -8.206 1.00 0.00 H new HETATM 0 HMD1 HEC A 125 -9.314 5.463 -6.821 1.00 0.00 H new HETATM 0 HMC3 HEC A 125 0.036 4.866 -9.166 1.00 0.00 H new HETATM 0 HMC2 HEC A 125 -0.498 3.572 -10.263 1.00 0.00 H new HETATM 0 HMC1 HEC A 125 -1.038 5.246 -10.533 1.00 0.00 H new HETATM 0 HMB3 HEC A 125 0.893 0.039 -2.651 1.00 0.00 H new HETATM 0 HMB2 HEC A 125 0.010 -1.320 -3.387 1.00 0.00 H new HETATM 0 HMB1 HEC A 125 1.538 -0.757 -4.106 1.00 0.00 H new HETATM 0 HMA3 HEC A 125 -3.673 0.559 0.562 1.00 0.00 H new HETATM 0 HMA2 HEC A 125 -4.162 -0.931 -0.279 1.00 0.00 H new HETATM 0 HMA1 HEC A 125 -2.550 -0.236 -0.566 1.00 0.00 H new HETATM 0 HBD2 HEC A 125 -10.189 5.580 -3.291 1.00 0.00 H new HETATM 0 HBD1 HEC A 125 -9.026 4.668 -2.350 1.00 0.00 H new HETATM 0 HBC3 HEC A 125 -2.667 5.099 -11.708 1.00 0.00 H new HETATM 0 HBC2 HEC A 125 -4.337 4.516 -11.515 1.00 0.00 H new HETATM 0 HBC1 HEC A 125 -4.033 6.181 -12.067 1.00 0.00 H new HETATM 0 HBB3 HEC A 125 1.818 -1.301 -5.637 1.00 0.00 H new HETATM 0 HBB2 HEC A 125 0.813 -1.351 -7.105 1.00 0.00 H new HETATM 0 HBB1 HEC A 125 2.559 -1.037 -7.233 1.00 0.00 H new HETATM 0 HBA2 HEC A 125 -8.332 1.004 -1.908 1.00 0.00 H new HETATM 0 HBA1 HEC A 125 -7.350 -0.448 -1.899 1.00 0.00 H new HETATM 0 HAD2 HEC A 125 -9.896 4.301 -5.158 1.00 0.00 H new HETATM 0 HAD1 HEC A 125 -9.341 3.114 -3.995 1.00 0.00 H new HETATM 0 HAA2 HEC A 125 -6.215 0.661 0.217 1.00 0.00 H new HETATM 0 HAA1 HEC A 125 -6.913 2.142 -0.406 1.00 0.00 H new HETATM 0 HHD HEC A 125 -5.869 5.215 -8.425 1.00 0.00 H new HETATM 0 HHC HEC A 125 0.007 2.504 -7.965 1.00 0.00 H new HETATM 0 HHB HEC A 125 -1.485 0.471 -2.075 1.00 0.00 H new HETATM 0 HHA HEC A 125 -7.473 2.647 -2.772 1.00 0.00 H new HETATM 0 H2D HEC A 125 -6.921 6.493 -4.856 1.00 0.00 H new HETATM 0 H2A HEC A 125 -9.706 0.151 1.241 1.00 0.00 H new