USER MOD reduce.3.24.130724 H: found=0, std=0, add=834, rem=0, adj=39 USER MOD reduce.3.24.130724 removed 832 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 91 TYR OH : rot 180:sc= 0.0432 USER MOD Set 1.2: A 93 TYR OH : rot 152:sc= 0.56 USER MOD Set 2.1: A 5 SER OG : rot 180:sc= -0.487 USER MOD Set 2.2: A 14 HIS : no HD1:sc= -13.3! C(o=-14!,f=-15!) USER MOD Single : A 1 VAL N :NH3+ -141:sc= -0.109 (180deg=-0.928) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 GLN : amide:sc= -0.157 K(o=-0.16,f=-2.8!) USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 11 ASN : amide:sc= 0 X(o=0,f=-0.3) USER MOD Single : A 15 ASN : amide:sc= -3.42! C(o=-3.4!,f=-3.8!) USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 TYR OH : rot 30:sc= -0.776! USER MOD Single : A 22 THR OG1 : rot 180:sc= -0.0036 USER MOD Single : A 25 SER OG : rot -89:sc= -1.66 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0.168 USER MOD Single : A 29 TYR OH : rot -95:sc= -1.78! USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 32 ASN : amide:sc= -0.0529 X(o=-0.053,f=0) USER MOD Single : A 33 SER OG : rot 2:sc= 0.849 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot -80:sc= -4.23! USER MOD Single : A 40 ASN : amide:sc= -1.02 K(o=-1,f=-1.5!) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 4:sc= 1.01 USER MOD Single : A 51 SER OG : rot 39:sc= 0.861 USER MOD Single : A 55 THR OG1 : rot 177:sc= -6.49! USER MOD Single : A 57 GLN : amide:sc= -0.766 X(o=-0.77,f=-0.98) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 HIS : no HE2:sc= -2.07 K(o=-2.1,f=-1.5) USER MOD Single : A 65 THR OG1 : rot 180:sc=-0.00569 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 68 ASN : amide:sc= -0.0164 K(o=-0.016,f=-0.58) USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 76 LYS NZ :NH3+ -149:sc= -0.0633 (180deg=-0.463) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 79 TYR OH : rot 178:sc= -1.93! USER MOD Single : A 80 SER OG : rot 17:sc= 1.21 USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 ASN : amide:sc= -3.43! C(o=-3.4!,f=-10!) USER MOD Single : A 84 ASN : amide:sc= -1.15 K(o=-1.2,f=-3.5!) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 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 96 SER OG : rot 180:sc= -0.0199 USER MOD Single : A 98 SER OG : rot 64:sc= -3.2! USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 100 SER OG : rot 67:sc= 1.16 USER MOD Single : A 101 SER OG : rot 93:sc= 0.7 USER MOD Single : A 102 THR OG1 : rot 180:sc= -0.539 USER MOD Single : A 104 SER OG : rot 180:sc=-0.00588 USER MOD Single : A 107 ASN : amide:sc= 0.489 K(o=0.49,f=-0.79) USER MOD Single : A 108 THR OG1 : rot 180:sc= -0.564 USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 1.208 -6.756 -11.155 1.00 0.00 N ATOM 2 CA VAL A 1 0.697 -6.606 -9.762 1.00 0.00 C ATOM 3 C VAL A 1 -0.587 -5.771 -9.756 1.00 0.00 C ATOM 4 O VAL A 1 -0.653 -4.711 -10.345 1.00 0.00 O ATOM 5 CB VAL A 1 1.814 -5.882 -9.009 1.00 0.00 C ATOM 6 CG1 VAL A 1 1.330 -5.510 -7.607 1.00 0.00 C ATOM 7 CG2 VAL A 1 3.031 -6.803 -8.900 1.00 0.00 C ATOM 0 H1 VAL A 1 1.577 -7.719 -11.288 1.00 0.00 H new ATOM 0 H2 VAL A 1 0.434 -6.586 -11.829 1.00 0.00 H new ATOM 0 H3 VAL A 1 1.970 -6.068 -11.321 1.00 0.00 H new ATOM 0 HA VAL A 1 0.452 -7.565 -9.305 1.00 0.00 H new ATOM 0 HB VAL A 1 2.088 -4.976 -9.549 1.00 0.00 H new ATOM 0 HG11 VAL A 1 2.127 -4.994 -7.072 1.00 0.00 H new ATOM 0 HG12 VAL A 1 0.462 -4.855 -7.684 1.00 0.00 H new ATOM 0 HG13 VAL A 1 1.055 -6.415 -7.065 1.00 0.00 H new ATOM 0 HG21 VAL A 1 3.829 -6.290 -8.364 1.00 0.00 H new ATOM 0 HG22 VAL A 1 2.755 -7.708 -8.360 1.00 0.00 H new ATOM 0 HG23 VAL A 1 3.377 -7.068 -9.899 1.00 0.00 H new ATOM 19 N LYS A 2 -1.607 -6.246 -9.095 1.00 0.00 N ATOM 20 CA LYS A 2 -2.890 -5.487 -9.049 1.00 0.00 C ATOM 21 C LYS A 2 -3.733 -5.953 -7.859 1.00 0.00 C ATOM 22 O LYS A 2 -3.387 -6.893 -7.171 1.00 0.00 O ATOM 23 CB LYS A 2 -3.592 -5.817 -10.368 1.00 0.00 C ATOM 24 CG LYS A 2 -2.986 -4.977 -11.496 1.00 0.00 C ATOM 25 CD LYS A 2 -4.077 -4.610 -12.506 1.00 0.00 C ATOM 26 CE LYS A 2 -3.490 -3.692 -13.582 1.00 0.00 C ATOM 27 NZ LYS A 2 -4.527 -2.644 -13.803 1.00 0.00 N ATOM 0 H LYS A 2 -1.608 -7.129 -8.584 1.00 0.00 H new ATOM 0 HA LYS A 2 -2.735 -4.415 -8.929 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -3.485 -6.878 -10.593 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -4.660 -5.615 -10.284 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -2.535 -4.073 -11.088 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -2.191 -5.534 -11.991 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -4.482 -5.513 -12.964 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -4.904 -4.112 -11.999 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -2.548 -3.252 -13.254 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -3.283 -4.242 -14.500 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -4.197 -1.976 -14.529 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -5.410 -3.091 -14.121 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -4.698 -2.132 -12.914 1.00 0.00 H new ATOM 41 N CYS A 3 -4.838 -5.304 -7.612 1.00 0.00 N ATOM 42 CA CYS A 3 -5.704 -5.711 -6.466 1.00 0.00 C ATOM 43 C CYS A 3 -7.114 -6.041 -6.960 1.00 0.00 C ATOM 44 O CYS A 3 -7.968 -5.181 -7.045 1.00 0.00 O ATOM 45 CB CYS A 3 -5.741 -4.498 -5.536 1.00 0.00 C ATOM 46 SG CYS A 3 -4.631 -4.769 -4.134 1.00 0.00 S ATOM 0 H CYS A 3 -5.180 -4.510 -8.153 1.00 0.00 H new ATOM 0 HA CYS A 3 -5.322 -6.599 -5.962 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -5.443 -3.602 -6.080 1.00 0.00 H new ATOM 0 HB3 CYS A 3 -6.758 -4.332 -5.180 1.00 0.00 H new ATOM 51 N GLN A 4 -7.367 -7.278 -7.280 1.00 0.00 N ATOM 52 CA GLN A 4 -8.726 -7.656 -7.757 1.00 0.00 C ATOM 53 C GLN A 4 -9.713 -7.609 -6.591 1.00 0.00 C ATOM 54 O GLN A 4 -9.338 -7.376 -5.459 1.00 0.00 O ATOM 55 CB GLN A 4 -8.581 -9.084 -8.282 1.00 0.00 C ATOM 56 CG GLN A 4 -7.444 -9.138 -9.305 1.00 0.00 C ATOM 57 CD GLN A 4 -6.894 -10.565 -9.386 1.00 0.00 C ATOM 58 OE1 GLN A 4 -7.272 -11.418 -8.609 1.00 0.00 O ATOM 59 NE2 GLN A 4 -6.011 -10.860 -10.301 1.00 0.00 N ATOM 0 H GLN A 4 -6.694 -8.043 -7.232 1.00 0.00 H new ATOM 0 HA GLN A 4 -9.102 -6.981 -8.526 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -8.376 -9.767 -7.458 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -9.514 -9.410 -8.742 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -7.806 -8.821 -10.283 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -6.651 -8.447 -9.019 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -5.694 -10.143 -10.954 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -5.638 -11.807 -10.363 1.00 0.00 H new ATOM 68 N SER A 5 -10.970 -7.828 -6.858 1.00 0.00 N ATOM 69 CA SER A 5 -11.981 -7.798 -5.762 1.00 0.00 C ATOM 70 C SER A 5 -11.426 -8.506 -4.522 1.00 0.00 C ATOM 71 O SER A 5 -10.789 -9.535 -4.629 1.00 0.00 O ATOM 72 CB SER A 5 -13.190 -8.545 -6.324 1.00 0.00 C ATOM 73 OG SER A 5 -13.220 -9.862 -5.790 1.00 0.00 O ATOM 0 H SER A 5 -11.342 -8.026 -7.787 1.00 0.00 H new ATOM 0 HA SER A 5 -12.241 -6.785 -5.456 1.00 0.00 H new ATOM 0 HB2 SER A 5 -14.109 -8.016 -6.070 1.00 0.00 H new ATOM 0 HB3 SER A 5 -13.135 -8.583 -7.412 1.00 0.00 H new ATOM 0 HG SER A 5 -13.996 -10.343 -6.148 1.00 0.00 H new ATOM 79 N PRO A 6 -11.672 -7.916 -3.385 1.00 0.00 N ATOM 80 CA PRO A 6 -11.173 -8.481 -2.104 1.00 0.00 C ATOM 81 C PRO A 6 -11.895 -9.784 -1.759 1.00 0.00 C ATOM 82 O PRO A 6 -12.981 -10.037 -2.231 1.00 0.00 O ATOM 83 CB PRO A 6 -11.508 -7.395 -1.086 1.00 0.00 C ATOM 84 CG PRO A 6 -12.651 -6.649 -1.688 1.00 0.00 C ATOM 85 CD PRO A 6 -12.434 -6.680 -3.179 1.00 0.00 C ATOM 0 HA PRO A 6 -10.112 -8.729 -2.136 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -11.780 -7.826 -0.123 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -10.655 -6.739 -0.912 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -13.601 -7.113 -1.423 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -12.683 -5.623 -1.320 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -13.379 -6.695 -3.722 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -11.882 -5.805 -3.523 1.00 0.00 H new ATOM 93 N PRO A 7 -11.262 -10.567 -0.933 1.00 0.00 N ATOM 94 CA PRO A 7 -11.853 -11.855 -0.506 1.00 0.00 C ATOM 95 C PRO A 7 -12.996 -11.612 0.482 1.00 0.00 C ATOM 96 O PRO A 7 -13.184 -10.516 0.972 1.00 0.00 O ATOM 97 CB PRO A 7 -10.693 -12.573 0.174 1.00 0.00 C ATOM 98 CG PRO A 7 -9.771 -11.484 0.625 1.00 0.00 C ATOM 99 CD PRO A 7 -9.948 -10.329 -0.327 1.00 0.00 C ATOM 0 HA PRO A 7 -12.277 -12.428 -1.331 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -11.039 -13.171 1.017 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -10.192 -13.253 -0.515 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -10.004 -11.181 1.646 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -8.737 -11.829 0.623 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -9.917 -9.373 0.195 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -9.160 -10.307 -1.079 1.00 0.00 H new ATOM 107 N SER A 8 -13.759 -12.626 0.782 1.00 0.00 N ATOM 108 CA SER A 8 -14.886 -12.450 1.742 1.00 0.00 C ATOM 109 C SER A 8 -14.348 -12.312 3.166 1.00 0.00 C ATOM 110 O SER A 8 -13.163 -12.426 3.406 1.00 0.00 O ATOM 111 CB SER A 8 -15.726 -13.717 1.610 1.00 0.00 C ATOM 112 OG SER A 8 -14.944 -14.841 1.992 1.00 0.00 O ATOM 0 H SER A 8 -13.652 -13.568 0.405 1.00 0.00 H new ATOM 0 HA SER A 8 -15.469 -11.553 1.532 1.00 0.00 H new ATOM 0 HB2 SER A 8 -16.613 -13.646 2.239 1.00 0.00 H new ATOM 0 HB3 SER A 8 -16.072 -13.832 0.583 1.00 0.00 H new ATOM 0 HG SER A 8 -15.481 -15.656 1.910 1.00 0.00 H new ATOM 118 N ILE A 9 -15.210 -12.076 4.112 1.00 0.00 N ATOM 119 CA ILE A 9 -14.742 -11.938 5.522 1.00 0.00 C ATOM 120 C ILE A 9 -15.717 -12.570 6.494 1.00 0.00 C ATOM 121 O ILE A 9 -16.638 -13.270 6.123 1.00 0.00 O ATOM 122 CB ILE A 9 -14.623 -10.442 5.822 1.00 0.00 C ATOM 123 CG1 ILE A 9 -15.629 -9.619 5.005 1.00 0.00 C ATOM 124 CG2 ILE A 9 -13.206 -9.994 5.514 1.00 0.00 C ATOM 125 CD1 ILE A 9 -16.461 -8.764 5.964 1.00 0.00 C ATOM 0 H ILE A 9 -16.215 -11.973 3.974 1.00 0.00 H new ATOM 0 HA ILE A 9 -13.785 -12.447 5.639 1.00 0.00 H new ATOM 0 HB ILE A 9 -14.850 -10.277 6.875 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -15.105 -8.984 4.291 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -16.277 -10.279 4.429 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -13.107 -8.929 5.724 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -12.505 -10.552 6.134 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -12.986 -10.179 4.462 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -17.180 -8.174 5.395 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -16.993 -9.412 6.660 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -15.803 -8.096 6.520 1.00 0.00 H new ATOM 137 N SER A 10 -15.490 -12.330 7.746 1.00 0.00 N ATOM 138 CA SER A 10 -16.360 -12.910 8.794 1.00 0.00 C ATOM 139 C SER A 10 -17.832 -12.874 8.369 1.00 0.00 C ATOM 140 O SER A 10 -18.532 -11.913 8.604 1.00 0.00 O ATOM 141 CB SER A 10 -16.132 -12.039 10.028 1.00 0.00 C ATOM 142 OG SER A 10 -14.886 -12.382 10.619 1.00 0.00 O ATOM 0 H SER A 10 -14.728 -11.748 8.094 1.00 0.00 H new ATOM 0 HA SER A 10 -16.122 -13.957 8.982 1.00 0.00 H new ATOM 0 HB2 SER A 10 -16.138 -10.985 9.750 1.00 0.00 H new ATOM 0 HB3 SER A 10 -16.940 -12.184 10.745 1.00 0.00 H new ATOM 0 HG SER A 10 -14.735 -11.824 11.410 1.00 0.00 H new ATOM 148 N ASN A 11 -18.309 -13.919 7.752 1.00 0.00 N ATOM 149 CA ASN A 11 -19.738 -13.942 7.322 1.00 0.00 C ATOM 150 C ASN A 11 -20.132 -12.598 6.705 1.00 0.00 C ATOM 151 O ASN A 11 -21.215 -12.096 6.932 1.00 0.00 O ATOM 152 CB ASN A 11 -20.532 -14.186 8.605 1.00 0.00 C ATOM 153 CG ASN A 11 -20.481 -15.671 8.964 1.00 0.00 C ATOM 154 OD1 ASN A 11 -19.445 -16.184 9.338 1.00 0.00 O ATOM 155 ND2 ASN A 11 -21.566 -16.390 8.866 1.00 0.00 N ATOM 0 H ASN A 11 -17.774 -14.757 7.527 1.00 0.00 H new ATOM 0 HA ASN A 11 -19.926 -14.706 6.568 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -20.119 -13.590 9.419 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -21.566 -13.869 8.471 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -21.544 -17.382 9.103 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -22.436 -15.960 8.552 1.00 0.00 H new ATOM 162 N GLY A 12 -19.266 -12.009 5.929 1.00 0.00 N ATOM 163 CA GLY A 12 -19.601 -10.698 5.305 1.00 0.00 C ATOM 164 C GLY A 12 -19.261 -10.739 3.814 1.00 0.00 C ATOM 165 O GLY A 12 -18.734 -11.711 3.313 1.00 0.00 O ATOM 0 H GLY A 12 -18.343 -12.377 5.700 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -20.660 -10.479 5.441 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -19.045 -9.898 5.794 1.00 0.00 H new ATOM 169 N ARG A 13 -19.561 -9.688 3.104 1.00 0.00 N ATOM 170 CA ARG A 13 -19.258 -9.654 1.642 1.00 0.00 C ATOM 171 C ARG A 13 -18.380 -8.454 1.327 1.00 0.00 C ATOM 172 O ARG A 13 -17.945 -7.734 2.203 1.00 0.00 O ATOM 173 CB ARG A 13 -20.606 -9.508 0.918 1.00 0.00 C ATOM 174 CG ARG A 13 -21.753 -10.009 1.800 1.00 0.00 C ATOM 175 CD ARG A 13 -22.930 -10.433 0.919 1.00 0.00 C ATOM 176 NE ARG A 13 -22.410 -11.565 0.105 1.00 0.00 N ATOM 177 CZ ARG A 13 -23.238 -12.328 -0.556 1.00 0.00 C ATOM 178 NH1 ARG A 13 -24.053 -13.117 0.088 1.00 0.00 N ATOM 179 NH2 ARG A 13 -23.250 -12.301 -1.861 1.00 0.00 N ATOM 0 H ARG A 13 -20.005 -8.847 3.473 1.00 0.00 H new ATOM 0 HA ARG A 13 -18.733 -10.556 1.327 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -20.772 -8.463 0.656 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -20.586 -10.071 -0.015 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -21.418 -10.850 2.407 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -22.065 -9.224 2.489 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -23.785 -10.740 1.522 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -23.265 -9.612 0.285 1.00 0.00 H new ATOM 0 HE ARG A 13 -21.407 -11.745 0.063 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -24.043 -13.138 1.108 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -24.700 -13.713 -0.428 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -22.613 -11.684 -2.364 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -23.897 -12.897 -2.378 1.00 0.00 H new ATOM 193 N HIS A 14 -18.119 -8.238 0.077 1.00 0.00 N ATOM 194 CA HIS A 14 -17.271 -7.085 -0.314 1.00 0.00 C ATOM 195 C HIS A 14 -17.622 -6.631 -1.735 1.00 0.00 C ATOM 196 O HIS A 14 -17.564 -7.400 -2.674 1.00 0.00 O ATOM 197 CB HIS A 14 -15.842 -7.617 -0.245 1.00 0.00 C ATOM 198 CG HIS A 14 -15.576 -8.495 -1.433 1.00 0.00 C ATOM 199 ND1 HIS A 14 -15.111 -7.980 -2.628 1.00 0.00 N ATOM 200 CD2 HIS A 14 -15.684 -9.850 -1.624 1.00 0.00 C ATOM 201 CE1 HIS A 14 -14.947 -9.004 -3.476 1.00 0.00 C ATOM 202 NE2 HIS A 14 -15.286 -10.171 -2.919 1.00 0.00 N ATOM 0 H HIS A 14 -18.457 -8.811 -0.696 1.00 0.00 H new ATOM 0 HA HIS A 14 -17.413 -6.219 0.332 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -15.135 -6.788 -0.227 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -15.697 -8.180 0.677 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -16.025 -10.558 -0.884 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -14.585 -8.899 -4.488 1.00 0.00 H new ATOM 0 HE2 HIS A 14 -15.259 -11.095 -3.349 1.00 0.00 H new ATOM 210 N ASN A 15 -17.988 -5.390 -1.900 1.00 0.00 N ATOM 211 CA ASN A 15 -18.343 -4.892 -3.260 1.00 0.00 C ATOM 212 C ASN A 15 -18.171 -3.372 -3.327 1.00 0.00 C ATOM 213 O ASN A 15 -18.771 -2.635 -2.570 1.00 0.00 O ATOM 214 CB ASN A 15 -19.812 -5.275 -3.451 1.00 0.00 C ATOM 215 CG ASN A 15 -19.946 -6.799 -3.484 1.00 0.00 C ATOM 216 OD1 ASN A 15 -19.466 -7.444 -4.395 1.00 0.00 O ATOM 217 ND2 ASN A 15 -20.585 -7.406 -2.522 1.00 0.00 N ATOM 0 H ASN A 15 -18.057 -4.699 -1.153 1.00 0.00 H new ATOM 0 HA ASN A 15 -17.707 -5.318 -4.036 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -20.414 -4.865 -2.640 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -20.192 -4.846 -4.378 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -20.681 -8.421 -2.535 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -20.988 -6.865 -1.757 1.00 0.00 H new ATOM 224 N GLY A 16 -17.354 -2.898 -4.228 1.00 0.00 N ATOM 225 CA GLY A 16 -17.143 -1.428 -4.345 1.00 0.00 C ATOM 226 C GLY A 16 -17.581 -0.959 -5.734 1.00 0.00 C ATOM 227 O GLY A 16 -17.042 -0.018 -6.282 1.00 0.00 O ATOM 0 H GLY A 16 -16.823 -3.466 -4.888 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -17.713 -0.906 -3.577 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -16.093 -1.186 -4.182 1.00 0.00 H new ATOM 231 N TYR A 17 -18.557 -1.610 -6.307 1.00 0.00 N ATOM 232 CA TYR A 17 -19.035 -1.202 -7.662 1.00 0.00 C ATOM 233 C TYR A 17 -17.946 -1.455 -8.710 1.00 0.00 C ATOM 234 O TYR A 17 -17.911 -0.818 -9.744 1.00 0.00 O ATOM 235 CB TYR A 17 -19.330 0.293 -7.542 1.00 0.00 C ATOM 236 CG TYR A 17 -20.532 0.642 -8.387 1.00 0.00 C ATOM 237 CD1 TYR A 17 -21.820 0.557 -7.843 1.00 0.00 C ATOM 238 CD2 TYR A 17 -20.359 1.053 -9.714 1.00 0.00 C ATOM 239 CE1 TYR A 17 -22.933 0.882 -8.627 1.00 0.00 C ATOM 240 CE2 TYR A 17 -21.473 1.378 -10.497 1.00 0.00 C ATOM 241 CZ TYR A 17 -22.759 1.292 -9.954 1.00 0.00 C ATOM 242 OH TYR A 17 -23.858 1.613 -10.725 1.00 0.00 O ATOM 0 H TYR A 17 -19.045 -2.406 -5.897 1.00 0.00 H new ATOM 0 HA TYR A 17 -19.912 -1.767 -7.978 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -19.517 0.555 -6.500 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -18.465 0.872 -7.866 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -21.954 0.241 -6.819 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -19.366 1.119 -10.134 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -23.926 0.816 -8.208 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -21.339 1.695 -11.521 1.00 0.00 H new ATOM 0 HH TYR A 17 -23.563 1.879 -11.621 1.00 0.00 H new ATOM 252 N GLU A 18 -17.060 -2.380 -8.455 1.00 0.00 N ATOM 253 CA GLU A 18 -15.982 -2.667 -9.445 1.00 0.00 C ATOM 254 C GLU A 18 -15.399 -4.061 -9.210 1.00 0.00 C ATOM 255 O GLU A 18 -15.875 -4.816 -8.386 1.00 0.00 O ATOM 256 CB GLU A 18 -14.914 -1.600 -9.201 1.00 0.00 C ATOM 257 CG GLU A 18 -14.608 -1.511 -7.705 1.00 0.00 C ATOM 258 CD GLU A 18 -13.739 -0.281 -7.438 1.00 0.00 C ATOM 259 OE1 GLU A 18 -12.660 -0.209 -8.003 1.00 0.00 O ATOM 260 OE2 GLU A 18 -14.166 0.568 -6.673 1.00 0.00 O ATOM 0 H GLU A 18 -17.036 -2.947 -7.608 1.00 0.00 H new ATOM 0 HA GLU A 18 -16.356 -2.645 -10.469 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -14.007 -1.846 -9.754 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -15.260 -0.634 -9.570 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -15.535 -1.446 -7.136 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -14.093 -2.413 -7.373 1.00 0.00 H new ATOM 267 N ASP A 19 -14.368 -4.404 -9.930 1.00 0.00 N ATOM 268 CA ASP A 19 -13.745 -5.747 -9.755 1.00 0.00 C ATOM 269 C ASP A 19 -12.261 -5.599 -9.417 1.00 0.00 C ATOM 270 O ASP A 19 -11.676 -6.439 -8.762 1.00 0.00 O ATOM 271 CB ASP A 19 -13.910 -6.441 -11.107 1.00 0.00 C ATOM 272 CG ASP A 19 -15.349 -6.938 -11.258 1.00 0.00 C ATOM 273 OD1 ASP A 19 -15.695 -7.899 -10.592 1.00 0.00 O ATOM 274 OD2 ASP A 19 -16.079 -6.350 -12.039 1.00 0.00 O ATOM 0 H ASP A 19 -13.928 -3.811 -10.634 1.00 0.00 H new ATOM 0 HA ASP A 19 -14.206 -6.311 -8.945 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -13.667 -5.750 -11.914 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -13.216 -7.278 -11.184 1.00 0.00 H new ATOM 279 N PHE A 20 -11.645 -4.542 -9.869 1.00 0.00 N ATOM 280 CA PHE A 20 -10.195 -4.349 -9.582 1.00 0.00 C ATOM 281 C PHE A 20 -9.991 -3.273 -8.515 1.00 0.00 C ATOM 282 O PHE A 20 -10.927 -2.809 -7.895 1.00 0.00 O ATOM 283 CB PHE A 20 -9.586 -3.899 -10.910 1.00 0.00 C ATOM 284 CG PHE A 20 -8.635 -4.959 -11.406 1.00 0.00 C ATOM 285 CD1 PHE A 20 -7.785 -5.610 -10.504 1.00 0.00 C ATOM 286 CD2 PHE A 20 -8.603 -5.292 -12.764 1.00 0.00 C ATOM 287 CE1 PHE A 20 -6.904 -6.596 -10.961 1.00 0.00 C ATOM 288 CE2 PHE A 20 -7.721 -6.278 -13.222 1.00 0.00 C ATOM 289 CZ PHE A 20 -6.871 -6.930 -12.320 1.00 0.00 C ATOM 0 H PHE A 20 -12.081 -3.805 -10.423 1.00 0.00 H new ATOM 0 HA PHE A 20 -9.733 -5.260 -9.201 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -10.373 -3.727 -11.645 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -9.059 -2.954 -10.780 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -7.809 -5.351 -9.456 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -9.259 -4.789 -13.459 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -6.249 -7.100 -10.265 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -7.696 -6.536 -14.271 1.00 0.00 H new ATOM 0 HZ PHE A 20 -6.190 -7.690 -12.673 1.00 0.00 H new ATOM 299 N TYR A 21 -8.766 -2.877 -8.305 1.00 0.00 N ATOM 300 CA TYR A 21 -8.471 -1.829 -7.285 1.00 0.00 C ATOM 301 C TYR A 21 -6.985 -1.449 -7.338 1.00 0.00 C ATOM 302 O TYR A 21 -6.615 -0.319 -7.090 1.00 0.00 O ATOM 303 CB TYR A 21 -8.845 -2.462 -5.948 1.00 0.00 C ATOM 304 CG TYR A 21 -10.236 -2.003 -5.570 1.00 0.00 C ATOM 305 CD1 TYR A 21 -10.554 -0.638 -5.593 1.00 0.00 C ATOM 306 CD2 TYR A 21 -11.210 -2.939 -5.202 1.00 0.00 C ATOM 307 CE1 TYR A 21 -11.841 -0.211 -5.248 1.00 0.00 C ATOM 308 CE2 TYR A 21 -12.497 -2.510 -4.858 1.00 0.00 C ATOM 309 CZ TYR A 21 -12.812 -1.147 -4.880 1.00 0.00 C ATOM 310 OH TYR A 21 -14.080 -0.726 -4.538 1.00 0.00 O ATOM 0 H TYR A 21 -7.950 -3.237 -8.800 1.00 0.00 H new ATOM 0 HA TYR A 21 -9.028 -0.907 -7.452 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -8.812 -3.549 -6.022 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -8.129 -2.173 -5.179 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -9.804 0.085 -5.878 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -10.968 -3.991 -5.184 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -12.084 0.841 -5.266 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -13.248 -3.232 -4.575 1.00 0.00 H new ATOM 0 HH TYR A 21 -14.294 0.096 -5.026 1.00 0.00 H new ATOM 320 N THR A 22 -6.140 -2.383 -7.689 1.00 0.00 N ATOM 321 CA THR A 22 -4.675 -2.098 -7.802 1.00 0.00 C ATOM 322 C THR A 22 -4.029 -1.793 -6.443 1.00 0.00 C ATOM 323 O THR A 22 -3.596 -2.687 -5.743 1.00 0.00 O ATOM 324 CB THR A 22 -4.578 -0.902 -8.754 1.00 0.00 C ATOM 325 OG1 THR A 22 -5.369 -1.157 -9.906 1.00 0.00 O ATOM 326 CG2 THR A 22 -3.122 -0.701 -9.172 1.00 0.00 C ATOM 0 H THR A 22 -6.405 -3.344 -7.905 1.00 0.00 H new ATOM 0 HA THR A 22 -4.131 -2.966 -8.175 1.00 0.00 H new ATOM 0 HB THR A 22 -4.938 -0.004 -8.252 1.00 0.00 H new ATOM 0 HG1 THR A 22 -5.312 -0.394 -10.518 1.00 0.00 H new ATOM 0 HG21 THR A 22 -3.052 0.150 -9.850 1.00 0.00 H new ATOM 0 HG22 THR A 22 -2.512 -0.512 -8.288 1.00 0.00 H new ATOM 0 HG23 THR A 22 -2.761 -1.597 -9.677 1.00 0.00 H new ATOM 334 N ASP A 23 -3.926 -0.549 -6.073 1.00 0.00 N ATOM 335 CA ASP A 23 -3.273 -0.215 -4.777 1.00 0.00 C ATOM 336 C ASP A 23 -3.893 1.053 -4.192 1.00 0.00 C ATOM 337 O ASP A 23 -4.444 1.869 -4.904 1.00 0.00 O ATOM 338 CB ASP A 23 -1.807 0.007 -5.147 1.00 0.00 C ATOM 339 CG ASP A 23 -1.104 0.790 -4.036 1.00 0.00 C ATOM 340 OD1 ASP A 23 -1.279 1.996 -3.987 1.00 0.00 O ATOM 341 OD2 ASP A 23 -0.403 0.170 -3.255 1.00 0.00 O ATOM 0 H ASP A 23 -4.264 0.250 -6.610 1.00 0.00 H new ATOM 0 HA ASP A 23 -3.392 -0.992 -4.022 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -1.311 -0.952 -5.298 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -1.739 0.553 -6.088 1.00 0.00 H new ATOM 346 N GLY A 24 -3.827 1.222 -2.901 1.00 0.00 N ATOM 347 CA GLY A 24 -4.437 2.432 -2.288 1.00 0.00 C ATOM 348 C GLY A 24 -5.950 2.364 -2.488 1.00 0.00 C ATOM 349 O GLY A 24 -6.663 3.327 -2.288 1.00 0.00 O ATOM 0 H GLY A 24 -3.380 0.578 -2.248 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -4.197 2.481 -1.226 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -4.034 3.334 -2.748 1.00 0.00 H new ATOM 353 N SER A 25 -6.439 1.222 -2.889 1.00 0.00 N ATOM 354 CA SER A 25 -7.901 1.062 -3.113 1.00 0.00 C ATOM 355 C SER A 25 -8.598 0.702 -1.807 1.00 0.00 C ATOM 356 O SER A 25 -7.976 0.260 -0.863 1.00 0.00 O ATOM 357 CB SER A 25 -8.017 -0.101 -4.095 1.00 0.00 C ATOM 358 OG SER A 25 -6.786 -0.813 -4.135 1.00 0.00 O ATOM 0 H SER A 25 -5.882 0.387 -3.072 1.00 0.00 H new ATOM 0 HA SER A 25 -8.362 1.976 -3.487 1.00 0.00 H new ATOM 0 HB2 SER A 25 -8.825 -0.767 -3.792 1.00 0.00 H new ATOM 0 HB3 SER A 25 -8.266 0.272 -5.089 1.00 0.00 H new ATOM 0 HG SER A 25 -6.203 -0.420 -4.818 1.00 0.00 H new ATOM 364 N VAL A 26 -9.886 0.865 -1.749 1.00 0.00 N ATOM 365 CA VAL A 26 -10.612 0.505 -0.505 1.00 0.00 C ATOM 366 C VAL A 26 -11.923 -0.184 -0.856 1.00 0.00 C ATOM 367 O VAL A 26 -12.489 0.032 -1.909 1.00 0.00 O ATOM 368 CB VAL A 26 -10.862 1.826 0.226 1.00 0.00 C ATOM 369 CG1 VAL A 26 -11.767 1.587 1.436 1.00 0.00 C ATOM 370 CG2 VAL A 26 -9.531 2.405 0.705 1.00 0.00 C ATOM 0 H VAL A 26 -10.465 1.230 -2.505 1.00 0.00 H new ATOM 0 HA VAL A 26 -10.046 -0.186 0.120 1.00 0.00 H new ATOM 0 HB VAL A 26 -11.345 2.525 -0.457 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -11.941 2.531 1.952 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -12.719 1.175 1.102 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -11.286 0.885 2.117 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -9.710 3.346 1.226 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -9.051 1.700 1.384 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -8.882 2.582 -0.152 1.00 0.00 H new ATOM 380 N VAL A 27 -12.404 -1.028 0.009 1.00 0.00 N ATOM 381 CA VAL A 27 -13.673 -1.740 -0.303 1.00 0.00 C ATOM 382 C VAL A 27 -14.615 -1.749 0.881 1.00 0.00 C ATOM 383 O VAL A 27 -14.286 -2.212 1.953 1.00 0.00 O ATOM 384 CB VAL A 27 -13.248 -3.156 -0.654 1.00 0.00 C ATOM 385 CG1 VAL A 27 -14.452 -4.102 -0.605 1.00 0.00 C ATOM 386 CG2 VAL A 27 -12.689 -3.140 -2.056 1.00 0.00 C ATOM 0 H VAL A 27 -11.980 -1.255 0.909 1.00 0.00 H new ATOM 0 HA VAL A 27 -14.215 -1.251 -1.113 1.00 0.00 H new ATOM 0 HB VAL A 27 -12.502 -3.505 0.060 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -14.131 -5.112 -0.859 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -14.878 -4.098 0.398 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -15.205 -3.770 -1.320 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -12.375 -4.146 -2.334 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -13.456 -2.794 -2.749 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -11.832 -2.468 -2.098 1.00 0.00 H new ATOM 396 N THR A 28 -15.804 -1.270 0.686 1.00 0.00 N ATOM 397 CA THR A 28 -16.769 -1.289 1.798 1.00 0.00 C ATOM 398 C THR A 28 -17.268 -2.715 1.965 1.00 0.00 C ATOM 399 O THR A 28 -18.095 -3.192 1.213 1.00 0.00 O ATOM 400 CB THR A 28 -17.899 -0.342 1.388 1.00 0.00 C ATOM 401 OG1 THR A 28 -17.554 0.312 0.174 1.00 0.00 O ATOM 402 CG2 THR A 28 -18.110 0.699 2.485 1.00 0.00 C ATOM 0 H THR A 28 -16.144 -0.870 -0.189 1.00 0.00 H new ATOM 0 HA THR A 28 -16.341 -0.970 2.748 1.00 0.00 H new ATOM 0 HB THR A 28 -18.817 -0.912 1.244 1.00 0.00 H new ATOM 0 HG1 THR A 28 -18.279 0.917 -0.089 1.00 0.00 H new ATOM 0 HG21 THR A 28 -18.915 1.375 2.195 1.00 0.00 H new ATOM 0 HG22 THR A 28 -18.375 0.198 3.416 1.00 0.00 H new ATOM 0 HG23 THR A 28 -17.192 1.268 2.628 1.00 0.00 H new ATOM 410 N TYR A 29 -16.749 -3.409 2.930 1.00 0.00 N ATOM 411 CA TYR A 29 -17.168 -4.816 3.127 1.00 0.00 C ATOM 412 C TYR A 29 -18.622 -4.868 3.603 1.00 0.00 C ATOM 413 O TYR A 29 -19.115 -3.947 4.223 1.00 0.00 O ATOM 414 CB TYR A 29 -16.241 -5.352 4.220 1.00 0.00 C ATOM 415 CG TYR A 29 -15.031 -6.022 3.611 1.00 0.00 C ATOM 416 CD1 TYR A 29 -14.729 -5.856 2.253 1.00 0.00 C ATOM 417 CD2 TYR A 29 -14.206 -6.812 4.417 1.00 0.00 C ATOM 418 CE1 TYR A 29 -13.605 -6.483 1.706 1.00 0.00 C ATOM 419 CE2 TYR A 29 -13.083 -7.437 3.871 1.00 0.00 C ATOM 420 CZ TYR A 29 -12.781 -7.274 2.514 1.00 0.00 C ATOM 421 OH TYR A 29 -11.673 -7.894 1.973 1.00 0.00 O ATOM 0 H TYR A 29 -16.053 -3.063 3.591 1.00 0.00 H new ATOM 0 HA TYR A 29 -17.105 -5.399 2.208 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -15.923 -4.535 4.868 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -16.781 -6.063 4.845 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -15.364 -5.244 1.629 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -14.438 -6.939 5.464 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -13.373 -6.357 0.659 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -12.447 -8.046 4.496 1.00 0.00 H new ATOM 0 HH TYR A 29 -11.906 -8.809 1.710 1.00 0.00 H new ATOM 431 N SER A 30 -19.308 -5.938 3.326 1.00 0.00 N ATOM 432 CA SER A 30 -20.725 -6.050 3.771 1.00 0.00 C ATOM 433 C SER A 30 -20.857 -7.186 4.789 1.00 0.00 C ATOM 434 O SER A 30 -20.007 -8.050 4.875 1.00 0.00 O ATOM 435 CB SER A 30 -21.513 -6.365 2.502 1.00 0.00 C ATOM 436 OG SER A 30 -20.822 -5.838 1.377 1.00 0.00 O ATOM 0 H SER A 30 -18.950 -6.742 2.810 1.00 0.00 H new ATOM 0 HA SER A 30 -21.088 -5.143 4.254 1.00 0.00 H new ATOM 0 HB2 SER A 30 -21.637 -7.443 2.395 1.00 0.00 H new ATOM 0 HB3 SER A 30 -22.512 -5.934 2.564 1.00 0.00 H new ATOM 0 HG SER A 30 -21.325 -6.040 0.560 1.00 0.00 H new ATOM 442 N CYS A 31 -21.907 -7.196 5.563 1.00 0.00 N ATOM 443 CA CYS A 31 -22.069 -8.285 6.571 1.00 0.00 C ATOM 444 C CYS A 31 -23.449 -8.934 6.443 1.00 0.00 C ATOM 445 O CYS A 31 -24.414 -8.297 6.066 1.00 0.00 O ATOM 446 CB CYS A 31 -21.929 -7.597 7.928 1.00 0.00 C ATOM 447 SG CYS A 31 -20.480 -6.514 7.912 1.00 0.00 S ATOM 0 H CYS A 31 -22.656 -6.503 5.543 1.00 0.00 H new ATOM 0 HA CYS A 31 -21.333 -9.078 6.435 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -22.826 -7.018 8.148 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -21.830 -8.343 8.717 1.00 0.00 H new ATOM 452 N ASN A 32 -23.550 -10.196 6.759 1.00 0.00 N ATOM 453 CA ASN A 32 -24.867 -10.890 6.661 1.00 0.00 C ATOM 454 C ASN A 32 -25.916 -10.157 7.502 1.00 0.00 C ATOM 455 O ASN A 32 -25.609 -9.559 8.514 1.00 0.00 O ATOM 456 CB ASN A 32 -24.620 -12.291 7.218 1.00 0.00 C ATOM 457 CG ASN A 32 -25.056 -13.335 6.189 1.00 0.00 C ATOM 458 OD1 ASN A 32 -25.903 -14.161 6.465 1.00 0.00 O ATOM 459 ND2 ASN A 32 -24.509 -13.332 5.004 1.00 0.00 N ATOM 0 H ASN A 32 -22.777 -10.778 7.081 1.00 0.00 H new ATOM 0 HA ASN A 32 -25.242 -10.918 5.638 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -23.564 -12.418 7.455 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -25.174 -12.427 8.147 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -24.793 -14.023 4.310 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -23.798 -12.638 4.772 1.00 0.00 H new ATOM 466 N SER A 33 -27.154 -10.198 7.090 1.00 0.00 N ATOM 467 CA SER A 33 -28.222 -9.503 7.866 1.00 0.00 C ATOM 468 C SER A 33 -28.139 -9.881 9.347 1.00 0.00 C ATOM 469 O SER A 33 -28.339 -11.021 9.719 1.00 0.00 O ATOM 470 CB SER A 33 -29.535 -9.998 7.262 1.00 0.00 C ATOM 471 OG SER A 33 -29.748 -11.350 7.646 1.00 0.00 O ATOM 0 H SER A 33 -27.472 -10.682 6.251 1.00 0.00 H new ATOM 0 HA SER A 33 -28.128 -8.418 7.812 1.00 0.00 H new ATOM 0 HB2 SER A 33 -30.363 -9.376 7.603 1.00 0.00 H new ATOM 0 HB3 SER A 33 -29.502 -9.917 6.175 1.00 0.00 H new ATOM 0 HG SER A 33 -29.018 -11.643 8.230 1.00 0.00 H new ATOM 477 N GLY A 34 -27.851 -8.932 10.195 1.00 0.00 N ATOM 478 CA GLY A 34 -27.760 -9.237 11.650 1.00 0.00 C ATOM 479 C GLY A 34 -26.297 -9.207 12.095 1.00 0.00 C ATOM 480 O GLY A 34 -25.971 -9.570 13.208 1.00 0.00 O ATOM 0 H GLY A 34 -27.675 -7.959 9.943 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -28.338 -8.510 12.220 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -28.191 -10.217 11.853 1.00 0.00 H new ATOM 484 N TYR A 35 -25.411 -8.779 11.238 1.00 0.00 N ATOM 485 CA TYR A 35 -23.971 -8.730 11.621 1.00 0.00 C ATOM 486 C TYR A 35 -23.456 -7.286 11.576 1.00 0.00 C ATOM 487 O TYR A 35 -23.671 -6.567 10.621 1.00 0.00 O ATOM 488 CB TYR A 35 -23.253 -9.599 10.586 1.00 0.00 C ATOM 489 CG TYR A 35 -22.982 -10.962 11.180 1.00 0.00 C ATOM 490 CD1 TYR A 35 -22.051 -11.102 12.217 1.00 0.00 C ATOM 491 CD2 TYR A 35 -23.664 -12.086 10.696 1.00 0.00 C ATOM 492 CE1 TYR A 35 -21.802 -12.364 12.769 1.00 0.00 C ATOM 493 CE2 TYR A 35 -23.415 -13.348 11.249 1.00 0.00 C ATOM 494 CZ TYR A 35 -22.484 -13.487 12.286 1.00 0.00 C ATOM 495 OH TYR A 35 -22.239 -14.732 12.831 1.00 0.00 O ATOM 0 H TYR A 35 -25.621 -8.462 10.292 1.00 0.00 H new ATOM 0 HA TYR A 35 -23.801 -9.089 12.636 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -23.864 -9.696 9.689 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -22.317 -9.128 10.285 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -21.525 -10.236 12.591 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -24.382 -11.979 9.896 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -21.083 -12.471 13.568 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -23.941 -14.214 10.876 1.00 0.00 H new ATOM 0 HH TYR A 35 -22.796 -15.401 12.382 1.00 0.00 H new ATOM 505 N SER A 36 -22.784 -6.862 12.611 1.00 0.00 N ATOM 506 CA SER A 36 -22.253 -5.466 12.652 1.00 0.00 C ATOM 507 C SER A 36 -20.923 -5.368 11.903 1.00 0.00 C ATOM 508 O SER A 36 -20.069 -6.223 12.024 1.00 0.00 O ATOM 509 CB SER A 36 -22.032 -5.180 14.135 1.00 0.00 C ATOM 510 OG SER A 36 -23.188 -5.567 14.865 1.00 0.00 O ATOM 0 H SER A 36 -22.578 -7.425 13.436 1.00 0.00 H new ATOM 0 HA SER A 36 -22.936 -4.759 12.181 1.00 0.00 H new ATOM 0 HB2 SER A 36 -21.160 -5.725 14.496 1.00 0.00 H new ATOM 0 HB3 SER A 36 -21.830 -4.120 14.287 1.00 0.00 H new ATOM 0 HG SER A 36 -23.872 -4.869 14.789 1.00 0.00 H new ATOM 516 N LEU A 37 -20.733 -4.325 11.144 1.00 0.00 N ATOM 517 CA LEU A 37 -19.448 -4.174 10.407 1.00 0.00 C ATOM 518 C LEU A 37 -18.477 -3.313 11.215 1.00 0.00 C ATOM 519 O LEU A 37 -18.569 -2.101 11.227 1.00 0.00 O ATOM 520 CB LEU A 37 -19.803 -3.476 9.093 1.00 0.00 C ATOM 521 CG LEU A 37 -18.523 -3.253 8.284 1.00 0.00 C ATOM 522 CD1 LEU A 37 -18.263 -4.465 7.388 1.00 0.00 C ATOM 523 CD2 LEU A 37 -18.677 -2.003 7.416 1.00 0.00 C ATOM 0 H LEU A 37 -21.409 -3.574 11.003 1.00 0.00 H new ATOM 0 HA LEU A 37 -18.966 -5.136 10.235 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -20.507 -4.082 8.523 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -20.292 -2.523 9.294 1.00 0.00 H new ATOM 0 HG LEU A 37 -17.684 -3.121 8.967 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -17.351 -4.304 6.813 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -18.150 -5.356 8.005 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -19.103 -4.600 6.706 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -17.765 -1.845 6.840 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -19.518 -2.134 6.735 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -18.858 -1.138 8.053 1.00 0.00 H new ATOM 535 N ILE A 38 -17.540 -3.927 11.879 1.00 0.00 N ATOM 536 CA ILE A 38 -16.554 -3.137 12.671 1.00 0.00 C ATOM 537 C ILE A 38 -15.292 -2.929 11.834 1.00 0.00 C ATOM 538 O ILE A 38 -15.044 -3.647 10.890 1.00 0.00 O ATOM 539 CB ILE A 38 -16.215 -3.949 13.938 1.00 0.00 C ATOM 540 CG1 ILE A 38 -17.192 -5.120 14.156 1.00 0.00 C ATOM 541 CG2 ILE A 38 -16.279 -3.024 15.149 1.00 0.00 C ATOM 542 CD1 ILE A 38 -18.627 -4.598 14.267 1.00 0.00 C ATOM 0 H ILE A 38 -17.413 -4.939 11.909 1.00 0.00 H new ATOM 0 HA ILE A 38 -16.961 -2.163 12.943 1.00 0.00 H new ATOM 0 HB ILE A 38 -15.216 -4.365 13.811 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -17.117 -5.825 13.328 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -16.924 -5.663 15.062 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -16.041 -3.588 16.051 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -15.559 -2.214 15.027 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -17.283 -2.607 15.236 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -19.308 -5.435 14.421 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -18.700 -3.911 15.110 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -18.896 -4.075 13.349 1.00 0.00 H new ATOM 554 N GLY A 39 -14.493 -1.958 12.165 1.00 0.00 N ATOM 555 CA GLY A 39 -13.254 -1.725 11.373 1.00 0.00 C ATOM 556 C GLY A 39 -13.553 -0.766 10.221 1.00 0.00 C ATOM 557 O GLY A 39 -13.001 -0.881 9.145 1.00 0.00 O ATOM 0 H GLY A 39 -14.641 -1.318 12.945 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -12.475 -1.310 12.012 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -12.876 -2.670 10.984 1.00 0.00 H new ATOM 561 N ASN A 40 -14.425 0.178 10.436 1.00 0.00 N ATOM 562 CA ASN A 40 -14.762 1.144 9.351 1.00 0.00 C ATOM 563 C ASN A 40 -15.469 0.419 8.208 1.00 0.00 C ATOM 564 O ASN A 40 -15.624 -0.785 8.221 1.00 0.00 O ATOM 565 CB ASN A 40 -13.420 1.705 8.870 1.00 0.00 C ATOM 566 CG ASN A 40 -12.505 1.962 10.068 1.00 0.00 C ATOM 567 OD1 ASN A 40 -11.552 1.240 10.286 1.00 0.00 O ATOM 568 ND2 ASN A 40 -12.753 2.970 10.858 1.00 0.00 N ATOM 0 H ASN A 40 -14.920 0.324 11.316 1.00 0.00 H new ATOM 0 HA ASN A 40 -15.428 1.933 9.700 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -12.947 1.002 8.184 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -13.580 2.631 8.318 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -12.147 3.152 11.658 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -13.553 3.576 10.675 1.00 0.00 H new ATOM 575 N SER A 41 -15.894 1.146 7.216 1.00 0.00 N ATOM 576 CA SER A 41 -16.584 0.502 6.066 1.00 0.00 C ATOM 577 C SER A 41 -15.765 0.709 4.791 1.00 0.00 C ATOM 578 O SER A 41 -16.141 1.461 3.916 1.00 0.00 O ATOM 579 CB SER A 41 -17.934 1.211 5.962 1.00 0.00 C ATOM 580 OG SER A 41 -18.203 1.895 7.180 1.00 0.00 O ATOM 0 H SER A 41 -15.794 2.159 7.151 1.00 0.00 H new ATOM 0 HA SER A 41 -16.705 -0.573 6.200 1.00 0.00 H new ATOM 0 HB2 SER A 41 -17.924 1.916 5.131 1.00 0.00 H new ATOM 0 HB3 SER A 41 -18.723 0.487 5.757 1.00 0.00 H new ATOM 0 HG SER A 41 -19.068 2.352 7.115 1.00 0.00 H new ATOM 586 N GLY A 42 -14.640 0.056 4.684 1.00 0.00 N ATOM 587 CA GLY A 42 -13.798 0.225 3.466 1.00 0.00 C ATOM 588 C GLY A 42 -12.434 -0.436 3.685 1.00 0.00 C ATOM 589 O GLY A 42 -11.617 0.047 4.443 1.00 0.00 O ATOM 0 H GLY A 42 -14.269 -0.585 5.385 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -14.295 -0.221 2.604 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -13.668 1.285 3.246 1.00 0.00 H new ATOM 593 N VAL A 43 -12.172 -1.528 3.014 1.00 0.00 N ATOM 594 CA VAL A 43 -10.847 -2.198 3.181 1.00 0.00 C ATOM 595 C VAL A 43 -9.780 -1.319 2.547 1.00 0.00 C ATOM 596 O VAL A 43 -10.069 -0.238 2.083 1.00 0.00 O ATOM 597 CB VAL A 43 -10.925 -3.528 2.422 1.00 0.00 C ATOM 598 CG1 VAL A 43 -9.878 -4.491 2.985 1.00 0.00 C ATOM 599 CG2 VAL A 43 -12.308 -4.157 2.580 1.00 0.00 C ATOM 0 H VAL A 43 -12.812 -1.982 2.363 1.00 0.00 H new ATOM 0 HA VAL A 43 -10.605 -2.361 4.231 1.00 0.00 H new ATOM 0 HB VAL A 43 -10.739 -3.338 1.365 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -9.929 -5.438 2.449 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -8.884 -4.059 2.865 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -10.073 -4.662 4.044 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -12.343 -5.100 2.034 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -12.505 -4.341 3.636 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -13.064 -3.479 2.183 1.00 0.00 H new ATOM 609 N LEU A 44 -8.560 -1.778 2.499 1.00 0.00 N ATOM 610 CA LEU A 44 -7.490 -0.963 1.861 1.00 0.00 C ATOM 611 C LEU A 44 -6.498 -1.873 1.140 1.00 0.00 C ATOM 612 O LEU A 44 -5.638 -2.477 1.751 1.00 0.00 O ATOM 613 CB LEU A 44 -6.795 -0.216 2.999 1.00 0.00 C ATOM 614 CG LEU A 44 -5.520 0.448 2.465 1.00 0.00 C ATOM 615 CD1 LEU A 44 -5.813 1.898 2.081 1.00 0.00 C ATOM 616 CD2 LEU A 44 -4.435 0.416 3.543 1.00 0.00 C ATOM 0 H LEU A 44 -8.259 -2.678 2.872 1.00 0.00 H new ATOM 0 HA LEU A 44 -7.897 -0.273 1.122 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -7.463 0.537 3.417 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -6.549 -0.906 3.806 1.00 0.00 H new ATOM 0 HG LEU A 44 -5.175 -0.095 1.585 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -4.904 2.365 1.702 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -6.582 1.922 1.309 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -6.163 2.443 2.958 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -3.530 0.888 3.162 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -4.782 0.955 4.425 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -4.219 -0.618 3.812 1.00 0.00 H new ATOM 628 N CYS A 45 -6.595 -1.964 -0.156 1.00 0.00 N ATOM 629 CA CYS A 45 -5.638 -2.822 -0.905 1.00 0.00 C ATOM 630 C CYS A 45 -4.403 -2.008 -1.276 1.00 0.00 C ATOM 631 O CYS A 45 -4.451 -1.139 -2.123 1.00 0.00 O ATOM 632 CB CYS A 45 -6.375 -3.272 -2.161 1.00 0.00 C ATOM 633 SG CYS A 45 -5.878 -4.967 -2.558 1.00 0.00 S ATOM 0 H CYS A 45 -7.292 -1.484 -0.726 1.00 0.00 H new ATOM 0 HA CYS A 45 -5.306 -3.676 -0.314 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -7.452 -3.222 -2.004 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -6.143 -2.607 -2.993 1.00 0.00 H new ATOM 638 N SER A 46 -3.299 -2.279 -0.647 1.00 0.00 N ATOM 639 CA SER A 46 -2.062 -1.514 -0.965 1.00 0.00 C ATOM 640 C SER A 46 -0.922 -2.471 -1.325 1.00 0.00 C ATOM 641 O SER A 46 -0.376 -3.146 -0.476 1.00 0.00 O ATOM 642 CB SER A 46 -1.731 -0.745 0.313 1.00 0.00 C ATOM 643 OG SER A 46 -1.194 -1.644 1.275 1.00 0.00 O ATOM 0 H SER A 46 -3.197 -2.995 0.072 1.00 0.00 H new ATOM 0 HA SER A 46 -2.198 -0.849 -1.818 1.00 0.00 H new ATOM 0 HB2 SER A 46 -1.014 0.048 0.099 1.00 0.00 H new ATOM 0 HB3 SER A 46 -2.628 -0.266 0.706 1.00 0.00 H new ATOM 0 HG SER A 46 -1.096 -2.532 0.873 1.00 0.00 H new ATOM 649 N GLY A 47 -0.554 -2.531 -2.576 1.00 0.00 N ATOM 650 CA GLY A 47 0.555 -3.441 -2.983 1.00 0.00 C ATOM 651 C GLY A 47 -0.004 -4.826 -3.318 1.00 0.00 C ATOM 652 O GLY A 47 0.570 -5.837 -2.965 1.00 0.00 O ATOM 0 H GLY A 47 -0.972 -1.990 -3.333 1.00 0.00 H new ATOM 0 HA2 GLY A 47 1.075 -3.030 -3.848 1.00 0.00 H new ATOM 0 HA3 GLY A 47 1.287 -3.519 -2.179 1.00 0.00 H new ATOM 656 N GLY A 48 -1.116 -4.883 -3.999 1.00 0.00 N ATOM 657 CA GLY A 48 -1.704 -6.205 -4.357 1.00 0.00 C ATOM 658 C GLY A 48 -1.990 -7.003 -3.084 1.00 0.00 C ATOM 659 O GLY A 48 -1.946 -8.217 -3.079 1.00 0.00 O ATOM 0 H GLY A 48 -1.643 -4.072 -4.323 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -2.624 -6.063 -4.923 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -1.017 -6.758 -4.998 1.00 0.00 H new ATOM 663 N GLU A 49 -2.282 -6.334 -2.002 1.00 0.00 N ATOM 664 CA GLU A 49 -2.568 -7.065 -0.733 1.00 0.00 C ATOM 665 C GLU A 49 -3.625 -6.324 0.089 1.00 0.00 C ATOM 666 O GLU A 49 -3.356 -5.306 0.695 1.00 0.00 O ATOM 667 CB GLU A 49 -1.236 -7.093 0.016 1.00 0.00 C ATOM 668 CG GLU A 49 -0.297 -8.098 -0.652 1.00 0.00 C ATOM 669 CD GLU A 49 1.066 -8.060 0.041 1.00 0.00 C ATOM 670 OE1 GLU A 49 1.208 -7.298 0.983 1.00 0.00 O ATOM 671 OE2 GLU A 49 1.944 -8.793 -0.382 1.00 0.00 O ATOM 0 H GLU A 49 -2.335 -5.317 -1.941 1.00 0.00 H new ATOM 0 HA GLU A 49 -2.958 -8.066 -0.918 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -0.785 -6.101 0.014 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -1.398 -7.368 1.058 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -0.719 -9.101 -0.593 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -0.186 -7.861 -1.710 1.00 0.00 H new ATOM 678 N TRP A 50 -4.824 -6.834 0.121 1.00 0.00 N ATOM 679 CA TRP A 50 -5.897 -6.168 0.911 1.00 0.00 C ATOM 680 C TRP A 50 -5.514 -6.148 2.390 1.00 0.00 C ATOM 681 O TRP A 50 -5.018 -7.121 2.924 1.00 0.00 O ATOM 682 CB TRP A 50 -7.138 -7.029 0.681 1.00 0.00 C ATOM 683 CG TRP A 50 -7.686 -6.732 -0.674 1.00 0.00 C ATOM 684 CD1 TRP A 50 -7.557 -7.524 -1.763 1.00 0.00 C ATOM 685 CD2 TRP A 50 -8.439 -5.566 -1.101 1.00 0.00 C ATOM 686 NE1 TRP A 50 -8.184 -6.913 -2.835 1.00 0.00 N ATOM 687 CE2 TRP A 50 -8.745 -5.702 -2.475 1.00 0.00 C ATOM 688 CE3 TRP A 50 -8.882 -4.415 -0.430 1.00 0.00 C ATOM 689 CZ2 TRP A 50 -9.464 -4.724 -3.161 1.00 0.00 C ATOM 690 CZ3 TRP A 50 -9.608 -3.431 -1.114 1.00 0.00 C ATOM 691 CH2 TRP A 50 -9.897 -3.584 -2.475 1.00 0.00 C ATOM 0 H TRP A 50 -5.108 -7.684 -0.366 1.00 0.00 H new ATOM 0 HA TRP A 50 -6.062 -5.133 0.613 1.00 0.00 H new ATOM 0 HB2 TRP A 50 -6.884 -8.086 0.762 1.00 0.00 H new ATOM 0 HB3 TRP A 50 -7.888 -6.822 1.445 1.00 0.00 H new ATOM 0 HD1 TRP A 50 -7.048 -8.476 -1.791 1.00 0.00 H new ATOM 0 HE1 TRP A 50 -8.227 -7.308 -3.775 1.00 0.00 H new ATOM 0 HE3 TRP A 50 -8.662 -4.287 0.620 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 -9.684 -4.845 -4.211 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 -9.946 -2.550 -0.589 1.00 0.00 H new ATOM 0 HH2 TRP A 50 -10.455 -2.821 -2.997 1.00 0.00 H new ATOM 702 N SER A 51 -5.728 -5.048 3.059 1.00 0.00 N ATOM 703 CA SER A 51 -5.357 -4.985 4.500 1.00 0.00 C ATOM 704 C SER A 51 -6.396 -4.197 5.302 1.00 0.00 C ATOM 705 O SER A 51 -7.273 -3.555 4.755 1.00 0.00 O ATOM 706 CB SER A 51 -4.007 -4.270 4.528 1.00 0.00 C ATOM 707 OG SER A 51 -3.918 -3.389 3.416 1.00 0.00 O ATOM 0 H SER A 51 -6.140 -4.198 2.674 1.00 0.00 H new ATOM 0 HA SER A 51 -5.310 -5.977 4.949 1.00 0.00 H new ATOM 0 HB2 SER A 51 -3.897 -3.712 5.458 1.00 0.00 H new ATOM 0 HB3 SER A 51 -3.196 -4.998 4.495 1.00 0.00 H new ATOM 0 HG SER A 51 -4.788 -2.964 3.265 1.00 0.00 H new ATOM 713 N ASP A 52 -6.290 -4.249 6.602 1.00 0.00 N ATOM 714 CA ASP A 52 -7.248 -3.515 7.480 1.00 0.00 C ATOM 715 C ASP A 52 -8.692 -3.759 7.039 1.00 0.00 C ATOM 716 O ASP A 52 -9.382 -2.851 6.621 1.00 0.00 O ATOM 717 CB ASP A 52 -6.877 -2.038 7.336 1.00 0.00 C ATOM 718 CG ASP A 52 -6.300 -1.522 8.657 1.00 0.00 C ATOM 719 OD1 ASP A 52 -7.024 -1.526 9.639 1.00 0.00 O ATOM 720 OD2 ASP A 52 -5.145 -1.130 8.663 1.00 0.00 O ATOM 0 H ASP A 52 -5.572 -4.775 7.100 1.00 0.00 H new ATOM 0 HA ASP A 52 -7.184 -3.850 8.515 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -6.148 -1.912 6.535 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -7.757 -1.457 7.060 1.00 0.00 H new ATOM 725 N PRO A 53 -9.095 -4.987 7.168 1.00 0.00 N ATOM 726 CA PRO A 53 -10.464 -5.397 6.811 1.00 0.00 C ATOM 727 C PRO A 53 -11.370 -5.274 8.037 1.00 0.00 C ATOM 728 O PRO A 53 -10.998 -5.680 9.121 1.00 0.00 O ATOM 729 CB PRO A 53 -10.290 -6.861 6.423 1.00 0.00 C ATOM 730 CG PRO A 53 -9.060 -7.330 7.155 1.00 0.00 C ATOM 731 CD PRO A 53 -8.311 -6.112 7.657 1.00 0.00 C ATOM 0 HA PRO A 53 -10.915 -4.796 6.022 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -11.163 -7.448 6.707 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -10.170 -6.969 5.345 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -9.337 -7.975 7.989 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -8.426 -7.919 6.493 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -8.242 -6.107 8.745 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -7.291 -6.084 7.273 1.00 0.00 H new ATOM 739 N PRO A 54 -12.529 -4.716 7.833 1.00 0.00 N ATOM 740 CA PRO A 54 -13.484 -4.544 8.950 1.00 0.00 C ATOM 741 C PRO A 54 -14.117 -5.890 9.312 1.00 0.00 C ATOM 742 O PRO A 54 -14.071 -6.835 8.549 1.00 0.00 O ATOM 743 CB PRO A 54 -14.509 -3.561 8.395 1.00 0.00 C ATOM 744 CG PRO A 54 -14.446 -3.724 6.908 1.00 0.00 C ATOM 745 CD PRO A 54 -13.055 -4.200 6.565 1.00 0.00 C ATOM 0 HA PRO A 54 -13.025 -4.179 9.869 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -15.508 -3.779 8.773 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -14.273 -2.538 8.689 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -15.192 -4.442 6.569 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -14.663 -2.780 6.409 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -13.077 -4.974 5.798 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -12.439 -3.387 6.180 1.00 0.00 H new ATOM 753 N THR A 55 -14.681 -5.993 10.483 1.00 0.00 N ATOM 754 CA THR A 55 -15.285 -7.287 10.911 1.00 0.00 C ATOM 755 C THR A 55 -16.808 -7.258 10.827 1.00 0.00 C ATOM 756 O THR A 55 -17.444 -6.269 11.129 1.00 0.00 O ATOM 757 CB THR A 55 -14.862 -7.439 12.371 1.00 0.00 C ATOM 758 OG1 THR A 55 -15.106 -6.221 13.053 1.00 0.00 O ATOM 759 CG2 THR A 55 -13.375 -7.765 12.442 1.00 0.00 C ATOM 0 H THR A 55 -14.750 -5.236 11.163 1.00 0.00 H new ATOM 0 HA THR A 55 -14.956 -8.107 10.272 1.00 0.00 H new ATOM 0 HB THR A 55 -15.432 -8.245 12.834 1.00 0.00 H new ATOM 0 HG1 THR A 55 -14.883 -6.327 14.001 1.00 0.00 H new ATOM 0 HG21 THR A 55 -13.076 -7.873 13.484 1.00 0.00 H new ATOM 0 HG22 THR A 55 -13.181 -8.697 11.910 1.00 0.00 H new ATOM 0 HG23 THR A 55 -12.803 -6.959 11.982 1.00 0.00 H new ATOM 767 N CYS A 56 -17.397 -8.358 10.460 1.00 0.00 N ATOM 768 CA CYS A 56 -18.878 -8.426 10.404 1.00 0.00 C ATOM 769 C CYS A 56 -19.343 -9.329 11.534 1.00 0.00 C ATOM 770 O CYS A 56 -19.706 -10.472 11.336 1.00 0.00 O ATOM 771 CB CYS A 56 -19.214 -9.018 9.036 1.00 0.00 C ATOM 772 SG CYS A 56 -18.916 -7.780 7.752 1.00 0.00 S ATOM 0 H CYS A 56 -16.913 -9.216 10.195 1.00 0.00 H new ATOM 0 HA CYS A 56 -19.366 -7.459 10.522 1.00 0.00 H new ATOM 0 HB2 CYS A 56 -18.605 -9.903 8.851 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -20.256 -9.338 9.013 1.00 0.00 H new ATOM 777 N GLN A 57 -19.294 -8.818 12.726 1.00 0.00 N ATOM 778 CA GLN A 57 -19.686 -9.625 13.909 1.00 0.00 C ATOM 779 C GLN A 57 -20.927 -9.043 14.572 1.00 0.00 C ATOM 780 O GLN A 57 -21.394 -7.980 14.221 1.00 0.00 O ATOM 781 CB GLN A 57 -18.498 -9.560 14.886 1.00 0.00 C ATOM 782 CG GLN A 57 -17.407 -8.591 14.400 1.00 0.00 C ATOM 783 CD GLN A 57 -16.141 -8.789 15.236 1.00 0.00 C ATOM 784 OE1 GLN A 57 -15.837 -7.989 16.098 1.00 0.00 O ATOM 785 NE2 GLN A 57 -15.384 -9.828 15.015 1.00 0.00 N ATOM 0 H GLN A 57 -18.996 -7.865 12.935 1.00 0.00 H new ATOM 0 HA GLN A 57 -19.920 -10.650 13.620 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -18.852 -9.245 15.867 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -18.072 -10.556 15.006 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -17.191 -8.768 13.346 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -17.755 -7.562 14.486 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -15.639 -10.500 14.291 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -14.537 -9.968 15.566 1.00 0.00 H new ATOM 794 N ILE A 58 -21.449 -9.725 15.547 1.00 0.00 N ATOM 795 CA ILE A 58 -22.646 -9.203 16.251 1.00 0.00 C ATOM 796 C ILE A 58 -22.166 -8.272 17.360 1.00 0.00 C ATOM 797 O ILE A 58 -21.118 -8.480 17.938 1.00 0.00 O ATOM 798 CB ILE A 58 -23.398 -10.415 16.829 1.00 0.00 C ATOM 799 CG1 ILE A 58 -23.005 -11.718 16.115 1.00 0.00 C ATOM 800 CG2 ILE A 58 -24.891 -10.195 16.631 1.00 0.00 C ATOM 801 CD1 ILE A 58 -21.927 -12.440 16.926 1.00 0.00 C ATOM 0 H ILE A 58 -21.099 -10.621 15.887 1.00 0.00 H new ATOM 0 HA ILE A 58 -23.311 -8.647 15.591 1.00 0.00 H new ATOM 0 HB ILE A 58 -23.141 -10.507 17.884 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -23.879 -12.359 15.999 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -22.636 -11.499 15.113 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -25.441 -11.045 17.035 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -25.197 -9.286 17.149 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -25.106 -10.096 15.567 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -21.648 -13.364 16.419 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -21.051 -11.799 17.019 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -22.313 -12.672 17.919 1.00 0.00 H new ATOM 813 N VAL A 59 -22.889 -7.231 17.644 1.00 0.00 N ATOM 814 CA VAL A 59 -22.413 -6.291 18.695 1.00 0.00 C ATOM 815 C VAL A 59 -23.462 -6.064 19.761 1.00 0.00 C ATOM 816 O VAL A 59 -23.725 -4.949 20.160 1.00 0.00 O ATOM 817 CB VAL A 59 -22.139 -4.998 17.952 1.00 0.00 C ATOM 818 CG1 VAL A 59 -21.182 -5.270 16.795 1.00 0.00 C ATOM 819 CG2 VAL A 59 -23.452 -4.463 17.406 1.00 0.00 C ATOM 0 H VAL A 59 -23.777 -6.990 17.203 1.00 0.00 H new ATOM 0 HA VAL A 59 -21.537 -6.682 19.212 1.00 0.00 H new ATOM 0 HB VAL A 59 -21.690 -4.269 18.626 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -20.984 -4.341 16.260 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -20.246 -5.671 17.184 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -21.631 -5.992 16.114 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -23.270 -3.532 16.869 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -23.889 -5.195 16.727 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -24.140 -4.277 18.231 1.00 0.00 H new ATOM 829 N LYS A 60 -24.032 -7.105 20.251 1.00 0.00 N ATOM 830 CA LYS A 60 -25.041 -6.930 21.324 1.00 0.00 C ATOM 831 C LYS A 60 -24.300 -6.877 22.666 1.00 0.00 C ATOM 832 O LYS A 60 -23.161 -7.290 22.757 1.00 0.00 O ATOM 833 CB LYS A 60 -25.950 -8.158 21.239 1.00 0.00 C ATOM 834 CG LYS A 60 -26.802 -8.073 19.971 1.00 0.00 C ATOM 835 CD LYS A 60 -27.738 -9.282 19.899 1.00 0.00 C ATOM 836 CE LYS A 60 -29.192 -8.803 19.902 1.00 0.00 C ATOM 837 NZ LYS A 60 -29.863 -9.611 18.846 1.00 0.00 N ATOM 0 H LYS A 60 -23.852 -8.067 19.965 1.00 0.00 H new ATOM 0 HA LYS A 60 -25.628 -6.017 21.225 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -25.350 -9.068 21.227 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -26.592 -8.211 22.119 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -27.383 -7.150 19.972 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -26.160 -8.045 19.091 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -27.536 -9.859 18.996 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -27.560 -9.944 20.747 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -29.658 -8.959 20.875 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -29.257 -7.737 19.685 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -30.865 -9.341 18.787 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -29.402 -9.436 17.930 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -29.790 -10.621 19.083 1.00 0.00 H new ATOM 851 N CYS A 61 -24.903 -6.364 23.702 1.00 0.00 N ATOM 852 CA CYS A 61 -24.166 -6.293 24.999 1.00 0.00 C ATOM 853 C CYS A 61 -24.904 -7.019 26.121 1.00 0.00 C ATOM 854 O CYS A 61 -26.058 -7.378 25.992 1.00 0.00 O ATOM 855 CB CYS A 61 -24.067 -4.804 25.314 1.00 0.00 C ATOM 856 SG CYS A 61 -22.685 -4.098 24.394 1.00 0.00 S ATOM 0 H CYS A 61 -25.855 -5.997 23.711 1.00 0.00 H new ATOM 0 HA CYS A 61 -23.192 -6.777 24.921 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -24.995 -4.300 25.044 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -23.922 -4.655 26.384 1.00 0.00 H new ATOM 861 N PRO A 62 -24.188 -7.197 27.197 1.00 0.00 N ATOM 862 CA PRO A 62 -24.741 -7.873 28.393 1.00 0.00 C ATOM 863 C PRO A 62 -25.686 -6.941 29.143 1.00 0.00 C ATOM 864 O PRO A 62 -26.850 -7.227 29.343 1.00 0.00 O ATOM 865 CB PRO A 62 -23.504 -8.156 29.243 1.00 0.00 C ATOM 866 CG PRO A 62 -22.484 -7.149 28.817 1.00 0.00 C ATOM 867 CD PRO A 62 -22.792 -6.779 27.391 1.00 0.00 C ATOM 0 HA PRO A 62 -25.313 -8.768 28.149 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -23.728 -8.061 30.305 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -23.143 -9.172 29.083 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -22.521 -6.269 29.459 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -21.478 -7.562 28.899 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -22.671 -5.709 27.223 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -22.125 -7.288 26.696 1.00 0.00 H new ATOM 875 N HIS A 63 -25.168 -5.833 29.566 1.00 0.00 N ATOM 876 CA HIS A 63 -25.972 -4.846 30.325 1.00 0.00 C ATOM 877 C HIS A 63 -25.016 -3.819 30.919 1.00 0.00 C ATOM 878 O HIS A 63 -24.088 -4.173 31.619 1.00 0.00 O ATOM 879 CB HIS A 63 -26.652 -5.645 31.435 1.00 0.00 C ATOM 880 CG HIS A 63 -28.140 -5.646 31.223 1.00 0.00 C ATOM 881 ND1 HIS A 63 -29.037 -5.832 32.264 1.00 0.00 N ATOM 882 CD2 HIS A 63 -28.902 -5.484 30.097 1.00 0.00 C ATOM 883 CE1 HIS A 63 -30.277 -5.775 31.745 1.00 0.00 C ATOM 884 NE2 HIS A 63 -30.252 -5.566 30.426 1.00 0.00 N ATOM 0 H HIS A 63 -24.197 -5.561 29.415 1.00 0.00 H new ATOM 0 HA HIS A 63 -26.707 -4.324 29.712 1.00 0.00 H new ATOM 0 HB2 HIS A 63 -26.276 -6.668 31.442 1.00 0.00 H new ATOM 0 HB3 HIS A 63 -26.414 -5.211 32.406 1.00 0.00 H new ATOM 0 HD1 HIS A 63 -28.800 -5.984 33.244 1.00 0.00 H new ATOM 0 HD2 HIS A 63 -28.514 -5.318 29.103 1.00 0.00 H new ATOM 0 HE1 HIS A 63 -31.182 -5.885 32.324 1.00 0.00 H new ATOM 892 N PRO A 64 -25.254 -2.583 30.611 1.00 0.00 N ATOM 893 CA PRO A 64 -24.374 -1.514 31.117 1.00 0.00 C ATOM 894 C PRO A 64 -24.676 -1.253 32.592 1.00 0.00 C ATOM 895 O PRO A 64 -25.250 -0.248 32.951 1.00 0.00 O ATOM 896 CB PRO A 64 -24.743 -0.317 30.256 1.00 0.00 C ATOM 897 CG PRO A 64 -26.148 -0.572 29.806 1.00 0.00 C ATOM 898 CD PRO A 64 -26.349 -2.066 29.785 1.00 0.00 C ATOM 0 HA PRO A 64 -23.312 -1.753 31.060 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -24.674 0.611 30.823 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -24.069 -0.222 29.405 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -26.860 -0.098 30.482 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -26.317 -0.148 28.816 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -27.321 -2.344 30.192 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -26.304 -2.461 28.770 1.00 0.00 H new ATOM 906 N THR A 65 -24.297 -2.158 33.448 1.00 0.00 N ATOM 907 CA THR A 65 -24.568 -1.965 34.904 1.00 0.00 C ATOM 908 C THR A 65 -23.350 -1.339 35.571 1.00 0.00 C ATOM 909 O THR A 65 -22.334 -1.113 34.944 1.00 0.00 O ATOM 910 CB THR A 65 -24.836 -3.360 35.501 1.00 0.00 C ATOM 911 OG1 THR A 65 -23.686 -3.797 36.212 1.00 0.00 O ATOM 912 CG2 THR A 65 -25.167 -4.375 34.404 1.00 0.00 C ATOM 0 H THR A 65 -23.812 -3.022 33.206 1.00 0.00 H new ATOM 0 HA THR A 65 -25.421 -1.306 35.062 1.00 0.00 H new ATOM 0 HB THR A 65 -25.691 -3.287 36.174 1.00 0.00 H new ATOM 0 HG1 THR A 65 -23.855 -4.684 36.594 1.00 0.00 H new ATOM 0 HG21 THR A 65 -25.351 -5.350 34.854 1.00 0.00 H new ATOM 0 HG22 THR A 65 -26.057 -4.050 33.864 1.00 0.00 H new ATOM 0 HG23 THR A 65 -24.329 -4.448 33.711 1.00 0.00 H new ATOM 920 N ILE A 66 -23.437 -1.056 36.837 1.00 0.00 N ATOM 921 CA ILE A 66 -22.270 -0.448 37.528 1.00 0.00 C ATOM 922 C ILE A 66 -22.512 -0.395 39.041 1.00 0.00 C ATOM 923 O ILE A 66 -23.610 -0.603 39.515 1.00 0.00 O ATOM 924 CB ILE A 66 -22.116 0.963 36.922 1.00 0.00 C ATOM 925 CG1 ILE A 66 -21.493 1.922 37.939 1.00 0.00 C ATOM 926 CG2 ILE A 66 -23.473 1.522 36.491 1.00 0.00 C ATOM 927 CD1 ILE A 66 -21.254 3.273 37.264 1.00 0.00 C ATOM 0 H ILE A 66 -24.258 -1.217 37.420 1.00 0.00 H new ATOM 0 HA ILE A 66 -21.360 -1.031 37.388 1.00 0.00 H new ATOM 0 HB ILE A 66 -21.465 0.876 36.052 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -22.153 2.041 38.798 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -20.553 1.516 38.313 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -23.339 2.517 36.067 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -23.916 0.865 35.742 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -24.133 1.582 37.356 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -20.810 3.964 37.980 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -20.578 3.143 36.419 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -22.203 3.676 36.911 1.00 0.00 H new ATOM 939 N SER A 67 -21.483 -0.124 39.797 1.00 0.00 N ATOM 940 CA SER A 67 -21.633 -0.065 41.281 1.00 0.00 C ATOM 941 C SER A 67 -22.377 1.206 41.699 1.00 0.00 C ATOM 942 O SER A 67 -21.836 2.293 41.659 1.00 0.00 O ATOM 943 CB SER A 67 -20.203 -0.043 41.820 1.00 0.00 C ATOM 944 OG SER A 67 -19.853 -1.343 42.276 1.00 0.00 O ATOM 0 H SER A 67 -20.541 0.060 39.451 1.00 0.00 H new ATOM 0 HA SER A 67 -22.208 -0.907 41.666 1.00 0.00 H new ATOM 0 HB2 SER A 67 -19.513 0.279 41.040 1.00 0.00 H new ATOM 0 HB3 SER A 67 -20.120 0.675 42.636 1.00 0.00 H new ATOM 0 HG SER A 67 -18.936 -1.333 42.621 1.00 0.00 H new ATOM 950 N ASN A 68 -23.612 1.075 42.107 1.00 0.00 N ATOM 951 CA ASN A 68 -24.391 2.273 42.536 1.00 0.00 C ATOM 952 C ASN A 68 -24.115 3.455 41.602 1.00 0.00 C ATOM 953 O ASN A 68 -24.051 4.591 42.026 1.00 0.00 O ATOM 954 CB ASN A 68 -23.897 2.579 43.950 1.00 0.00 C ATOM 955 CG ASN A 68 -24.610 1.663 44.947 1.00 0.00 C ATOM 956 OD1 ASN A 68 -24.484 0.456 44.877 1.00 0.00 O ATOM 957 ND2 ASN A 68 -25.359 2.187 45.878 1.00 0.00 N ATOM 0 H ASN A 68 -24.115 0.189 42.162 1.00 0.00 H new ATOM 0 HA ASN A 68 -25.466 2.096 42.507 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -22.819 2.431 44.010 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -24.090 3.623 44.196 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -25.838 1.584 46.547 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -25.465 3.200 45.937 1.00 0.00 H new ATOM 964 N GLY A 69 -23.951 3.196 40.336 1.00 0.00 N ATOM 965 CA GLY A 69 -23.680 4.305 39.379 1.00 0.00 C ATOM 966 C GLY A 69 -24.352 3.997 38.042 1.00 0.00 C ATOM 967 O GLY A 69 -23.867 4.369 36.993 1.00 0.00 O ATOM 0 H GLY A 69 -23.993 2.265 39.922 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -24.057 5.246 39.780 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -22.606 4.425 39.239 1.00 0.00 H new ATOM 971 N TYR A 70 -25.458 3.302 38.080 1.00 0.00 N ATOM 972 CA TYR A 70 -26.181 2.942 36.822 1.00 0.00 C ATOM 973 C TYR A 70 -26.289 4.113 35.870 1.00 0.00 C ATOM 974 O TYR A 70 -25.783 5.187 36.099 1.00 0.00 O ATOM 975 CB TYR A 70 -27.585 2.521 37.247 1.00 0.00 C ATOM 976 CG TYR A 70 -28.383 3.735 37.683 1.00 0.00 C ATOM 977 CD1 TYR A 70 -27.948 4.524 38.760 1.00 0.00 C ATOM 978 CD2 TYR A 70 -29.563 4.073 37.006 1.00 0.00 C ATOM 979 CE1 TYR A 70 -28.691 5.642 39.154 1.00 0.00 C ATOM 980 CE2 TYR A 70 -30.304 5.193 37.402 1.00 0.00 C ATOM 981 CZ TYR A 70 -29.868 5.976 38.476 1.00 0.00 C ATOM 982 OH TYR A 70 -30.597 7.080 38.866 1.00 0.00 O ATOM 0 H TYR A 70 -25.897 2.964 38.937 1.00 0.00 H new ATOM 0 HA TYR A 70 -25.640 2.154 36.299 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -28.090 2.022 36.420 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -27.526 1.802 38.064 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -27.039 4.268 39.284 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -29.901 3.468 36.177 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -28.355 6.248 39.983 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -31.212 5.452 36.878 1.00 0.00 H new ATOM 0 HH TYR A 70 -31.385 7.171 38.291 1.00 0.00 H new ATOM 992 N LEU A 71 -26.986 3.894 34.805 1.00 0.00 N ATOM 993 CA LEU A 71 -27.180 4.976 33.805 1.00 0.00 C ATOM 994 C LEU A 71 -28.637 5.440 33.821 1.00 0.00 C ATOM 995 O LEU A 71 -29.512 4.757 34.314 1.00 0.00 O ATOM 996 CB LEU A 71 -26.752 4.393 32.433 1.00 0.00 C ATOM 997 CG LEU A 71 -27.408 3.035 32.118 1.00 0.00 C ATOM 998 CD1 LEU A 71 -26.609 1.922 32.779 1.00 0.00 C ATOM 999 CD2 LEU A 71 -28.859 2.980 32.599 1.00 0.00 C ATOM 0 H LEU A 71 -27.436 3.007 34.577 1.00 0.00 H new ATOM 0 HA LEU A 71 -26.578 5.858 34.027 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -27.009 5.104 31.648 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -25.668 4.278 32.417 1.00 0.00 H new ATOM 0 HG LEU A 71 -27.411 2.906 31.036 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -27.072 0.961 32.557 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -25.588 1.930 32.396 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -26.593 2.077 33.858 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -29.286 2.006 32.358 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -28.891 3.133 33.678 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -29.436 3.761 32.105 1.00 0.00 H new ATOM 1011 N SER A 72 -28.911 6.601 33.308 1.00 0.00 N ATOM 1012 CA SER A 72 -30.315 7.092 33.319 1.00 0.00 C ATOM 1013 C SER A 72 -30.562 7.993 32.109 1.00 0.00 C ATOM 1014 O SER A 72 -31.434 8.840 32.119 1.00 0.00 O ATOM 1015 CB SER A 72 -30.449 7.888 34.616 1.00 0.00 C ATOM 1016 OG SER A 72 -31.807 7.865 35.041 1.00 0.00 O ATOM 0 H SER A 72 -28.230 7.230 32.883 1.00 0.00 H new ATOM 0 HA SER A 72 -31.039 6.279 33.267 1.00 0.00 H new ATOM 0 HB2 SER A 72 -29.807 7.461 35.387 1.00 0.00 H new ATOM 0 HB3 SER A 72 -30.121 8.916 34.461 1.00 0.00 H new ATOM 0 HG SER A 72 -31.898 8.373 35.874 1.00 0.00 H new ATOM 1022 N SER A 73 -29.792 7.825 31.068 1.00 0.00 N ATOM 1023 CA SER A 73 -29.973 8.681 29.861 1.00 0.00 C ATOM 1024 C SER A 73 -30.488 7.853 28.682 1.00 0.00 C ATOM 1025 O SER A 73 -31.291 8.312 27.894 1.00 0.00 O ATOM 1026 CB SER A 73 -28.579 9.225 29.556 1.00 0.00 C ATOM 1027 OG SER A 73 -28.595 9.874 28.291 1.00 0.00 O ATOM 0 H SER A 73 -29.046 7.133 31.001 1.00 0.00 H new ATOM 0 HA SER A 73 -30.702 9.474 30.029 1.00 0.00 H new ATOM 0 HB2 SER A 73 -28.271 9.925 30.333 1.00 0.00 H new ATOM 0 HB3 SER A 73 -27.852 8.413 29.552 1.00 0.00 H new ATOM 0 HG SER A 73 -27.702 10.226 28.093 1.00 0.00 H new ATOM 1033 N GLY A 74 -30.031 6.641 28.551 1.00 0.00 N ATOM 1034 CA GLY A 74 -30.492 5.794 27.418 1.00 0.00 C ATOM 1035 C GLY A 74 -30.122 4.334 27.678 1.00 0.00 C ATOM 1036 O GLY A 74 -29.024 3.899 27.393 1.00 0.00 O ATOM 0 H GLY A 74 -29.359 6.200 29.179 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -31.571 5.889 27.297 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -30.036 6.134 26.489 1.00 0.00 H new ATOM 1040 N PHE A 75 -31.035 3.574 28.212 1.00 0.00 N ATOM 1041 CA PHE A 75 -30.748 2.136 28.484 1.00 0.00 C ATOM 1042 C PHE A 75 -31.819 1.262 27.827 1.00 0.00 C ATOM 1043 O PHE A 75 -32.953 1.670 27.666 1.00 0.00 O ATOM 1044 CB PHE A 75 -30.786 2.005 30.009 1.00 0.00 C ATOM 1045 CG PHE A 75 -30.917 0.549 30.397 1.00 0.00 C ATOM 1046 CD1 PHE A 75 -32.140 -0.116 30.231 1.00 0.00 C ATOM 1047 CD2 PHE A 75 -29.816 -0.137 30.924 1.00 0.00 C ATOM 1048 CE1 PHE A 75 -32.260 -1.463 30.590 1.00 0.00 C ATOM 1049 CE2 PHE A 75 -29.936 -1.486 31.283 1.00 0.00 C ATOM 1050 CZ PHE A 75 -31.158 -2.149 31.115 1.00 0.00 C ATOM 0 H PHE A 75 -31.970 3.886 28.473 1.00 0.00 H new ATOM 0 HA PHE A 75 -29.788 1.814 28.081 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -29.878 2.425 30.442 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -31.624 2.574 30.411 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -32.990 0.412 29.826 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -28.874 0.374 31.054 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -33.203 -1.974 30.462 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -29.086 -2.014 31.689 1.00 0.00 H new ATOM 0 HZ PHE A 75 -31.250 -3.189 31.390 1.00 0.00 H new ATOM 1060 N LYS A 76 -31.470 0.067 27.438 1.00 0.00 N ATOM 1061 CA LYS A 76 -32.470 -0.824 26.782 1.00 0.00 C ATOM 1062 C LYS A 76 -32.088 -2.291 26.992 1.00 0.00 C ATOM 1063 O LYS A 76 -30.931 -2.653 26.938 1.00 0.00 O ATOM 1064 CB LYS A 76 -32.398 -0.458 25.300 1.00 0.00 C ATOM 1065 CG LYS A 76 -33.349 -1.350 24.500 1.00 0.00 C ATOM 1066 CD LYS A 76 -33.115 -1.125 23.005 1.00 0.00 C ATOM 1067 CE LYS A 76 -34.130 -0.107 22.480 1.00 0.00 C ATOM 1068 NZ LYS A 76 -35.421 -0.847 22.398 1.00 0.00 N ATOM 0 H LYS A 76 -30.537 -0.331 27.545 1.00 0.00 H new ATOM 0 HA LYS A 76 -33.473 -0.698 27.189 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -32.664 0.590 25.161 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -31.378 -0.579 24.935 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -33.183 -2.397 24.752 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -34.383 -1.121 24.757 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -32.100 -0.765 22.834 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -33.214 -2.066 22.464 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -34.210 0.750 23.149 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -33.834 0.277 21.504 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -35.993 -0.463 21.619 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -35.233 -1.855 22.225 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -35.940 -0.740 23.293 1.00 0.00 H new ATOM 1082 N ARG A 77 -33.052 -3.139 27.232 1.00 0.00 N ATOM 1083 CA ARG A 77 -32.739 -4.582 27.447 1.00 0.00 C ATOM 1084 C ARG A 77 -31.676 -5.051 26.452 1.00 0.00 C ATOM 1085 O ARG A 77 -30.671 -5.625 26.824 1.00 0.00 O ATOM 1086 CB ARG A 77 -34.058 -5.317 27.204 1.00 0.00 C ATOM 1087 CG ARG A 77 -34.643 -5.773 28.541 1.00 0.00 C ATOM 1088 CD ARG A 77 -35.861 -6.664 28.286 1.00 0.00 C ATOM 1089 NE ARG A 77 -35.730 -7.782 29.260 1.00 0.00 N ATOM 1090 CZ ARG A 77 -36.701 -8.642 29.401 1.00 0.00 C ATOM 1091 NH1 ARG A 77 -37.941 -8.238 29.360 1.00 0.00 N ATOM 1092 NH2 ARG A 77 -36.432 -9.906 29.583 1.00 0.00 N ATOM 0 H ARG A 77 -34.041 -2.896 27.288 1.00 0.00 H new ATOM 0 HA ARG A 77 -32.344 -4.770 28.445 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -34.762 -4.662 26.692 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -33.893 -6.177 26.555 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -33.892 -6.319 29.112 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -34.930 -4.908 29.139 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -36.790 -6.115 28.438 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -35.872 -7.033 27.260 1.00 0.00 H new ATOM 0 HE ARG A 77 -34.881 -7.876 29.817 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -38.151 -7.250 29.218 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -38.700 -8.910 29.470 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -35.463 -10.222 29.615 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -37.191 -10.578 29.693 1.00 0.00 H new ATOM 1106 N SER A 78 -31.891 -4.808 25.192 1.00 0.00 N ATOM 1107 CA SER A 78 -30.896 -5.237 24.166 1.00 0.00 C ATOM 1108 C SER A 78 -29.941 -4.084 23.839 1.00 0.00 C ATOM 1109 O SER A 78 -30.167 -2.951 24.217 1.00 0.00 O ATOM 1110 CB SER A 78 -31.726 -5.611 22.939 1.00 0.00 C ATOM 1111 OG SER A 78 -32.411 -6.831 23.189 1.00 0.00 O ATOM 0 H SER A 78 -32.714 -4.330 24.824 1.00 0.00 H new ATOM 0 HA SER A 78 -30.282 -6.069 24.510 1.00 0.00 H new ATOM 0 HB2 SER A 78 -32.440 -4.819 22.714 1.00 0.00 H new ATOM 0 HB3 SER A 78 -31.080 -5.715 22.067 1.00 0.00 H new ATOM 0 HG SER A 78 -32.946 -7.073 22.404 1.00 0.00 H new ATOM 1117 N TYR A 79 -28.876 -4.366 23.140 1.00 0.00 N ATOM 1118 CA TYR A 79 -27.904 -3.289 22.790 1.00 0.00 C ATOM 1119 C TYR A 79 -27.234 -3.600 21.446 1.00 0.00 C ATOM 1120 O TYR A 79 -27.513 -4.605 20.822 1.00 0.00 O ATOM 1121 CB TYR A 79 -26.877 -3.313 23.922 1.00 0.00 C ATOM 1122 CG TYR A 79 -27.493 -2.747 25.182 1.00 0.00 C ATOM 1123 CD1 TYR A 79 -27.920 -1.414 25.215 1.00 0.00 C ATOM 1124 CD2 TYR A 79 -27.639 -3.556 26.319 1.00 0.00 C ATOM 1125 CE1 TYR A 79 -28.490 -0.888 26.380 1.00 0.00 C ATOM 1126 CE2 TYR A 79 -28.209 -3.028 27.484 1.00 0.00 C ATOM 1127 CZ TYR A 79 -28.635 -1.695 27.514 1.00 0.00 C ATOM 1128 OH TYR A 79 -29.197 -1.176 28.662 1.00 0.00 O ATOM 0 H TYR A 79 -28.636 -5.296 22.795 1.00 0.00 H new ATOM 0 HA TYR A 79 -28.379 -2.313 22.688 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -26.539 -4.334 24.098 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -25.999 -2.731 23.642 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -27.809 -0.791 24.340 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -27.312 -4.585 26.296 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -28.818 0.141 26.404 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -28.320 -3.650 28.360 1.00 0.00 H new ATOM 0 HH TYR A 79 -29.253 -1.877 29.344 1.00 0.00 H new ATOM 1138 N SER A 80 -26.350 -2.748 20.993 1.00 0.00 N ATOM 1139 CA SER A 80 -25.671 -3.008 19.688 1.00 0.00 C ATOM 1140 C SER A 80 -24.361 -2.206 19.590 1.00 0.00 C ATOM 1141 O SER A 80 -23.827 -1.764 20.577 1.00 0.00 O ATOM 1142 CB SER A 80 -26.670 -2.555 18.633 1.00 0.00 C ATOM 1143 OG SER A 80 -27.570 -3.619 18.352 1.00 0.00 O ATOM 0 H SER A 80 -26.070 -1.889 21.467 1.00 0.00 H new ATOM 0 HA SER A 80 -25.397 -4.056 19.565 1.00 0.00 H new ATOM 0 HB2 SER A 80 -27.219 -1.682 18.986 1.00 0.00 H new ATOM 0 HB3 SER A 80 -26.147 -2.256 17.725 1.00 0.00 H new ATOM 0 HG SER A 80 -27.527 -4.283 19.072 1.00 0.00 H new ATOM 1149 N TYR A 81 -23.840 -2.012 18.407 1.00 0.00 N ATOM 1150 CA TYR A 81 -22.564 -1.246 18.260 1.00 0.00 C ATOM 1151 C TYR A 81 -22.827 0.259 18.482 1.00 0.00 C ATOM 1152 O TYR A 81 -22.504 1.100 17.669 1.00 0.00 O ATOM 1153 CB TYR A 81 -22.104 -1.592 16.832 1.00 0.00 C ATOM 1154 CG TYR A 81 -21.337 -0.456 16.200 1.00 0.00 C ATOM 1155 CD1 TYR A 81 -20.104 -0.065 16.730 1.00 0.00 C ATOM 1156 CD2 TYR A 81 -21.858 0.203 15.080 1.00 0.00 C ATOM 1157 CE1 TYR A 81 -19.389 0.985 16.142 1.00 0.00 C ATOM 1158 CE2 TYR A 81 -21.145 1.255 14.492 1.00 0.00 C ATOM 1159 CZ TYR A 81 -19.911 1.645 15.022 1.00 0.00 C ATOM 1160 OH TYR A 81 -19.207 2.680 14.440 1.00 0.00 O ATOM 0 H TYR A 81 -24.243 -2.351 17.534 1.00 0.00 H new ATOM 0 HA TYR A 81 -21.794 -1.499 18.988 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -21.478 -2.484 16.858 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -22.972 -1.830 16.218 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -19.703 -0.574 17.594 1.00 0.00 H new ATOM 0 HD2 TYR A 81 -22.810 -0.100 14.670 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -18.436 1.286 16.551 1.00 0.00 H new ATOM 0 HE2 TYR A 81 -21.548 1.765 13.629 1.00 0.00 H new ATOM 0 HH TYR A 81 -19.709 3.027 13.673 1.00 0.00 H new ATOM 1170 N ASN A 82 -23.412 0.598 19.606 1.00 0.00 N ATOM 1171 CA ASN A 82 -23.699 2.033 19.917 1.00 0.00 C ATOM 1172 C ASN A 82 -24.526 2.134 21.207 1.00 0.00 C ATOM 1173 O ASN A 82 -24.131 1.628 22.238 1.00 0.00 O ATOM 1174 CB ASN A 82 -24.479 2.566 18.713 1.00 0.00 C ATOM 1175 CG ASN A 82 -25.627 1.612 18.380 1.00 0.00 C ATOM 1176 OD1 ASN A 82 -25.402 0.480 17.999 1.00 0.00 O ATOM 1177 ND2 ASN A 82 -26.859 2.024 18.511 1.00 0.00 N ATOM 0 H ASN A 82 -23.705 -0.063 20.326 1.00 0.00 H new ATOM 0 HA ASN A 82 -22.790 2.612 20.081 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -24.871 3.559 18.932 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -23.816 2.667 17.854 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -27.633 1.396 18.294 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -27.048 2.974 18.831 1.00 0.00 H new ATOM 1184 N ASP A 83 -25.661 2.785 21.170 1.00 0.00 N ATOM 1185 CA ASP A 83 -26.480 2.912 22.407 1.00 0.00 C ATOM 1186 C ASP A 83 -25.601 3.402 23.556 1.00 0.00 C ATOM 1187 O ASP A 83 -25.324 2.682 24.494 1.00 0.00 O ATOM 1188 CB ASP A 83 -27.013 1.506 22.686 1.00 0.00 C ATOM 1189 CG ASP A 83 -28.505 1.452 22.352 1.00 0.00 C ATOM 1190 OD1 ASP A 83 -28.827 1.151 21.214 1.00 0.00 O ATOM 1191 OD2 ASP A 83 -29.300 1.716 23.239 1.00 0.00 O ATOM 0 H ASP A 83 -26.052 3.231 20.340 1.00 0.00 H new ATOM 0 HA ASP A 83 -27.294 3.629 22.298 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -26.469 0.774 22.089 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -26.854 1.246 23.732 1.00 0.00 H new ATOM 1196 N ASN A 84 -25.146 4.621 23.474 1.00 0.00 N ATOM 1197 CA ASN A 84 -24.264 5.164 24.546 1.00 0.00 C ATOM 1198 C ASN A 84 -25.059 5.378 25.840 1.00 0.00 C ATOM 1199 O ASN A 84 -25.812 6.323 25.962 1.00 0.00 O ATOM 1200 CB ASN A 84 -23.759 6.501 23.998 1.00 0.00 C ATOM 1201 CG ASN A 84 -24.948 7.420 23.707 1.00 0.00 C ATOM 1202 OD1 ASN A 84 -25.618 7.266 22.706 1.00 0.00 O ATOM 1203 ND2 ASN A 84 -25.238 8.379 24.544 1.00 0.00 N ATOM 0 H ASN A 84 -25.347 5.266 22.710 1.00 0.00 H new ATOM 0 HA ASN A 84 -23.447 4.485 24.790 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -23.091 6.972 24.719 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -23.182 6.338 23.088 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -26.027 8.998 24.357 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -24.676 8.509 25.385 1.00 0.00 H new ATOM 1210 N VAL A 85 -24.900 4.515 26.813 1.00 0.00 N ATOM 1211 CA VAL A 85 -25.655 4.696 28.088 1.00 0.00 C ATOM 1212 C VAL A 85 -24.920 5.673 29.015 1.00 0.00 C ATOM 1213 O VAL A 85 -23.777 5.468 29.369 1.00 0.00 O ATOM 1214 CB VAL A 85 -25.742 3.313 28.733 1.00 0.00 C ATOM 1215 CG1 VAL A 85 -26.655 2.416 27.897 1.00 0.00 C ATOM 1216 CG2 VAL A 85 -24.354 2.680 28.819 1.00 0.00 C ATOM 0 H VAL A 85 -24.286 3.701 26.779 1.00 0.00 H new ATOM 0 HA VAL A 85 -26.646 5.112 27.904 1.00 0.00 H new ATOM 0 HB VAL A 85 -26.148 3.419 29.739 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -26.717 1.430 28.357 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -27.651 2.856 27.847 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -26.249 2.322 26.890 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -24.431 1.695 29.280 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -23.937 2.579 27.817 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -23.702 3.313 29.421 1.00 0.00 H new ATOM 1226 N ASP A 86 -25.570 6.729 29.424 1.00 0.00 N ATOM 1227 CA ASP A 86 -24.904 7.701 30.343 1.00 0.00 C ATOM 1228 C ASP A 86 -24.980 7.167 31.771 1.00 0.00 C ATOM 1229 O ASP A 86 -26.042 6.850 32.266 1.00 0.00 O ATOM 1230 CB ASP A 86 -25.700 8.998 30.208 1.00 0.00 C ATOM 1231 CG ASP A 86 -24.763 10.192 30.400 1.00 0.00 C ATOM 1232 OD1 ASP A 86 -24.281 10.370 31.507 1.00 0.00 O ATOM 1233 OD2 ASP A 86 -24.543 10.908 29.437 1.00 0.00 O ATOM 0 H ASP A 86 -26.529 6.961 29.164 1.00 0.00 H new ATOM 0 HA ASP A 86 -23.852 7.858 30.103 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -26.173 9.047 29.227 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -26.499 9.026 30.949 1.00 0.00 H new ATOM 1238 N PHE A 87 -23.866 7.039 32.434 1.00 0.00 N ATOM 1239 CA PHE A 87 -23.903 6.492 33.815 1.00 0.00 C ATOM 1240 C PHE A 87 -24.112 7.589 34.855 1.00 0.00 C ATOM 1241 O PHE A 87 -23.365 8.543 34.948 1.00 0.00 O ATOM 1242 CB PHE A 87 -22.571 5.778 34.001 1.00 0.00 C ATOM 1243 CG PHE A 87 -22.708 4.410 33.392 1.00 0.00 C ATOM 1244 CD1 PHE A 87 -23.585 3.484 33.965 1.00 0.00 C ATOM 1245 CD2 PHE A 87 -21.988 4.076 32.242 1.00 0.00 C ATOM 1246 CE1 PHE A 87 -23.746 2.224 33.387 1.00 0.00 C ATOM 1247 CE2 PHE A 87 -22.144 2.811 31.667 1.00 0.00 C ATOM 1248 CZ PHE A 87 -23.026 1.888 32.239 1.00 0.00 C ATOM 0 H PHE A 87 -22.941 7.287 32.083 1.00 0.00 H new ATOM 0 HA PHE A 87 -24.743 5.811 33.954 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -21.766 6.334 33.520 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -22.319 5.704 35.059 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -24.138 3.744 34.855 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -21.313 4.793 31.799 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -24.426 1.510 33.827 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -21.584 2.547 30.782 1.00 0.00 H new ATOM 0 HZ PHE A 87 -23.150 0.913 31.791 1.00 0.00 H new ATOM 1258 N LYS A 88 -25.141 7.435 35.639 1.00 0.00 N ATOM 1259 CA LYS A 88 -25.461 8.424 36.699 1.00 0.00 C ATOM 1260 C LYS A 88 -25.016 7.884 38.057 1.00 0.00 C ATOM 1261 O LYS A 88 -25.599 6.957 38.584 1.00 0.00 O ATOM 1262 CB LYS A 88 -26.981 8.539 36.653 1.00 0.00 C ATOM 1263 CG LYS A 88 -27.388 10.009 36.781 1.00 0.00 C ATOM 1264 CD LYS A 88 -28.914 10.118 36.826 1.00 0.00 C ATOM 1265 CE LYS A 88 -29.324 11.587 36.689 1.00 0.00 C ATOM 1266 NZ LYS A 88 -29.220 12.147 38.065 1.00 0.00 N ATOM 0 H LYS A 88 -25.786 6.647 35.587 1.00 0.00 H new ATOM 0 HA LYS A 88 -24.964 9.383 36.552 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -27.359 8.127 35.718 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -27.425 7.957 37.460 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -26.956 10.439 37.685 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -26.997 10.580 35.938 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -29.355 9.529 36.022 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -29.291 9.710 37.764 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -28.669 12.116 35.997 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -30.339 11.679 36.301 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -29.486 13.152 38.052 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -29.859 11.628 38.700 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -28.242 12.052 38.405 1.00 0.00 H new ATOM 1280 N CYS A 89 -23.993 8.445 38.629 1.00 0.00 N ATOM 1281 CA CYS A 89 -23.530 7.943 39.950 1.00 0.00 C ATOM 1282 C CYS A 89 -24.656 8.047 40.978 1.00 0.00 C ATOM 1283 O CYS A 89 -25.290 9.075 41.116 1.00 0.00 O ATOM 1284 CB CYS A 89 -22.358 8.842 40.335 1.00 0.00 C ATOM 1285 SG CYS A 89 -21.010 7.811 40.954 1.00 0.00 S ATOM 0 H CYS A 89 -23.459 9.224 38.244 1.00 0.00 H new ATOM 0 HA CYS A 89 -23.234 6.895 39.911 1.00 0.00 H new ATOM 0 HB2 CYS A 89 -22.026 9.419 39.472 1.00 0.00 H new ATOM 0 HB3 CYS A 89 -22.666 9.558 41.097 1.00 0.00 H new ATOM 1290 N LYS A 90 -24.914 6.985 41.695 1.00 0.00 N ATOM 1291 CA LYS A 90 -26.007 7.013 42.714 1.00 0.00 C ATOM 1292 C LYS A 90 -26.027 8.361 43.451 1.00 0.00 C ATOM 1293 O LYS A 90 -26.674 9.298 43.027 1.00 0.00 O ATOM 1294 CB LYS A 90 -25.678 5.880 43.687 1.00 0.00 C ATOM 1295 CG LYS A 90 -26.389 4.600 43.243 1.00 0.00 C ATOM 1296 CD LYS A 90 -27.849 4.642 43.698 1.00 0.00 C ATOM 1297 CE LYS A 90 -28.406 3.217 43.761 1.00 0.00 C ATOM 1298 NZ LYS A 90 -29.687 3.338 44.513 1.00 0.00 N ATOM 0 H LYS A 90 -24.415 6.098 41.620 1.00 0.00 H new ATOM 0 HA LYS A 90 -26.989 6.889 42.257 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -24.601 5.717 43.720 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -25.991 6.151 44.695 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -26.338 4.501 42.159 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -25.890 3.729 43.667 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -27.922 5.116 44.677 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -28.439 5.244 43.007 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -28.571 2.813 42.762 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -27.713 2.544 44.267 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -30.130 2.401 44.598 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -29.498 3.719 45.462 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -30.329 3.979 44.004 1.00 0.00 H new ATOM 1312 N TYR A 91 -25.325 8.467 44.551 1.00 0.00 N ATOM 1313 CA TYR A 91 -25.313 9.756 45.309 1.00 0.00 C ATOM 1314 C TYR A 91 -23.936 10.003 45.938 1.00 0.00 C ATOM 1315 O TYR A 91 -23.230 9.079 46.290 1.00 0.00 O ATOM 1316 CB TYR A 91 -26.372 9.585 46.399 1.00 0.00 C ATOM 1317 CG TYR A 91 -26.052 8.363 47.227 1.00 0.00 C ATOM 1318 CD1 TYR A 91 -25.092 8.436 48.245 1.00 0.00 C ATOM 1319 CD2 TYR A 91 -26.719 7.156 46.981 1.00 0.00 C ATOM 1320 CE1 TYR A 91 -24.799 7.304 49.016 1.00 0.00 C ATOM 1321 CE2 TYR A 91 -26.426 6.024 47.751 1.00 0.00 C ATOM 1322 CZ TYR A 91 -25.466 6.098 48.769 1.00 0.00 C ATOM 1323 OH TYR A 91 -25.178 4.984 49.530 1.00 0.00 O ATOM 0 H TYR A 91 -24.761 7.720 44.956 1.00 0.00 H new ATOM 0 HA TYR A 91 -25.520 10.609 44.663 1.00 0.00 H new ATOM 0 HB2 TYR A 91 -26.401 10.470 47.034 1.00 0.00 H new ATOM 0 HB3 TYR A 91 -27.359 9.483 45.949 1.00 0.00 H new ATOM 0 HD1 TYR A 91 -24.577 9.366 48.435 1.00 0.00 H new ATOM 0 HD2 TYR A 91 -27.460 7.099 46.197 1.00 0.00 H new ATOM 0 HE1 TYR A 91 -24.059 7.361 49.801 1.00 0.00 H new ATOM 0 HE2 TYR A 91 -26.940 5.094 47.560 1.00 0.00 H new ATOM 0 HH TYR A 91 -25.729 4.231 49.230 1.00 0.00 H new ATOM 1333 N GLY A 92 -23.559 11.248 46.086 1.00 0.00 N ATOM 1334 CA GLY A 92 -22.233 11.573 46.697 1.00 0.00 C ATOM 1335 C GLY A 92 -21.173 10.590 46.199 1.00 0.00 C ATOM 1336 O GLY A 92 -20.297 10.184 46.937 1.00 0.00 O ATOM 0 H GLY A 92 -24.115 12.057 45.809 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -21.945 12.592 46.440 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -22.303 11.526 47.784 1.00 0.00 H new ATOM 1340 N TYR A 93 -21.248 10.201 44.956 1.00 0.00 N ATOM 1341 CA TYR A 93 -20.251 9.234 44.408 1.00 0.00 C ATOM 1342 C TYR A 93 -19.808 9.655 43.006 1.00 0.00 C ATOM 1343 O TYR A 93 -20.576 10.195 42.234 1.00 0.00 O ATOM 1344 CB TYR A 93 -20.999 7.905 44.345 1.00 0.00 C ATOM 1345 CG TYR A 93 -21.283 7.386 45.736 1.00 0.00 C ATOM 1346 CD1 TYR A 93 -20.389 7.635 46.787 1.00 0.00 C ATOM 1347 CD2 TYR A 93 -22.448 6.647 45.971 1.00 0.00 C ATOM 1348 CE1 TYR A 93 -20.664 7.144 48.070 1.00 0.00 C ATOM 1349 CE2 TYR A 93 -22.721 6.156 47.253 1.00 0.00 C ATOM 1350 CZ TYR A 93 -21.829 6.405 48.302 1.00 0.00 C ATOM 1351 OH TYR A 93 -22.099 5.921 49.564 1.00 0.00 O ATOM 0 H TYR A 93 -21.958 10.511 44.293 1.00 0.00 H new ATOM 0 HA TYR A 93 -19.351 9.180 45.021 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -21.935 8.034 43.801 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -20.408 7.175 43.793 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -19.489 8.205 46.608 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -23.137 6.455 45.162 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -19.976 7.336 48.880 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -23.620 5.585 47.433 1.00 0.00 H new ATOM 0 HH TYR A 93 -23.068 5.842 49.684 1.00 0.00 H new ATOM 1361 N LYS A 94 -18.575 9.394 42.668 1.00 0.00 N ATOM 1362 CA LYS A 94 -18.079 9.757 41.311 1.00 0.00 C ATOM 1363 C LYS A 94 -17.934 8.486 40.480 1.00 0.00 C ATOM 1364 O LYS A 94 -17.907 7.400 41.008 1.00 0.00 O ATOM 1365 CB LYS A 94 -16.715 10.408 41.535 1.00 0.00 C ATOM 1366 CG LYS A 94 -16.396 11.326 40.353 1.00 0.00 C ATOM 1367 CD LYS A 94 -15.802 10.499 39.210 1.00 0.00 C ATOM 1368 CE LYS A 94 -14.363 10.951 38.947 1.00 0.00 C ATOM 1369 NZ LYS A 94 -14.338 11.331 37.508 1.00 0.00 N ATOM 0 H LYS A 94 -17.889 8.944 43.274 1.00 0.00 H new ATOM 0 HA LYS A 94 -18.755 10.429 40.782 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -16.719 10.979 42.464 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -15.945 9.643 41.635 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -17.301 11.832 40.017 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -15.693 12.100 40.660 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -15.821 9.440 39.466 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -16.403 10.620 38.309 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -14.091 11.793 39.583 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -13.653 10.151 39.157 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -13.383 11.653 37.250 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -14.595 10.507 36.927 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -15.019 12.099 37.340 1.00 0.00 H new ATOM 1383 N LEU A 95 -17.846 8.599 39.189 1.00 0.00 N ATOM 1384 CA LEU A 95 -17.713 7.368 38.361 1.00 0.00 C ATOM 1385 C LEU A 95 -16.248 7.095 38.036 1.00 0.00 C ATOM 1386 O LEU A 95 -15.645 7.760 37.218 1.00 0.00 O ATOM 1387 CB LEU A 95 -18.507 7.659 37.089 1.00 0.00 C ATOM 1388 CG LEU A 95 -19.995 7.447 37.363 1.00 0.00 C ATOM 1389 CD1 LEU A 95 -20.784 8.671 36.892 1.00 0.00 C ATOM 1390 CD2 LEU A 95 -20.485 6.208 36.615 1.00 0.00 C ATOM 0 H LEU A 95 -17.860 9.479 38.673 1.00 0.00 H new ATOM 0 HA LEU A 95 -18.084 6.483 38.878 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -18.328 8.683 36.761 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -18.177 7.004 36.283 1.00 0.00 H new ATOM 0 HG LEU A 95 -20.146 7.307 38.433 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -21.845 8.518 37.088 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -20.440 9.555 37.429 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -20.630 8.814 35.822 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -21.547 6.060 36.813 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -20.331 6.345 35.545 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -19.928 5.335 36.953 1.00 0.00 H new ATOM 1402 N SER A 96 -15.675 6.110 38.669 1.00 0.00 N ATOM 1403 CA SER A 96 -14.252 5.779 38.396 1.00 0.00 C ATOM 1404 C SER A 96 -14.168 4.818 37.210 1.00 0.00 C ATOM 1405 O SER A 96 -14.416 3.635 37.337 1.00 0.00 O ATOM 1406 CB SER A 96 -13.749 5.107 39.673 1.00 0.00 C ATOM 1407 OG SER A 96 -12.709 4.197 39.343 1.00 0.00 O ATOM 0 H SER A 96 -16.132 5.520 39.364 1.00 0.00 H new ATOM 0 HA SER A 96 -13.657 6.657 38.143 1.00 0.00 H new ATOM 0 HB2 SER A 96 -13.383 5.858 40.373 1.00 0.00 H new ATOM 0 HB3 SER A 96 -14.566 4.581 40.167 1.00 0.00 H new ATOM 0 HG SER A 96 -12.382 3.764 40.159 1.00 0.00 H new ATOM 1413 N GLY A 97 -13.825 5.318 36.055 1.00 0.00 N ATOM 1414 CA GLY A 97 -13.728 4.431 34.864 1.00 0.00 C ATOM 1415 C GLY A 97 -14.347 5.121 33.648 1.00 0.00 C ATOM 1416 O GLY A 97 -13.802 5.084 32.563 1.00 0.00 O ATOM 0 H GLY A 97 -13.608 6.300 35.885 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -12.684 4.190 34.664 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -14.241 3.489 35.059 1.00 0.00 H new ATOM 1420 N SER A 98 -15.481 5.744 33.815 1.00 0.00 N ATOM 1421 CA SER A 98 -16.133 6.427 32.657 1.00 0.00 C ATOM 1422 C SER A 98 -17.498 6.995 33.046 1.00 0.00 C ATOM 1423 O SER A 98 -17.842 7.104 34.206 1.00 0.00 O ATOM 1424 CB SER A 98 -16.289 5.334 31.599 1.00 0.00 C ATOM 1425 OG SER A 98 -15.171 5.371 30.722 1.00 0.00 O ATOM 0 H SER A 98 -15.985 5.811 34.699 1.00 0.00 H new ATOM 0 HA SER A 98 -15.543 7.272 32.301 1.00 0.00 H new ATOM 0 HB2 SER A 98 -16.360 4.357 32.076 1.00 0.00 H new ATOM 0 HB3 SER A 98 -17.212 5.483 31.038 1.00 0.00 H new ATOM 0 HG SER A 98 -14.356 5.156 31.222 1.00 0.00 H new ATOM 1431 N SER A 99 -18.267 7.368 32.068 1.00 0.00 N ATOM 1432 CA SER A 99 -19.621 7.942 32.340 1.00 0.00 C ATOM 1433 C SER A 99 -20.576 7.593 31.198 1.00 0.00 C ATOM 1434 O SER A 99 -21.505 6.829 31.364 1.00 0.00 O ATOM 1435 CB SER A 99 -19.408 9.455 32.422 1.00 0.00 C ATOM 1436 OG SER A 99 -18.072 9.768 32.049 1.00 0.00 O ATOM 0 H SER A 99 -18.019 7.302 31.081 1.00 0.00 H new ATOM 0 HA SER A 99 -20.061 7.548 33.256 1.00 0.00 H new ATOM 0 HB2 SER A 99 -20.110 9.968 31.764 1.00 0.00 H new ATOM 0 HB3 SER A 99 -19.606 9.806 33.435 1.00 0.00 H new ATOM 0 HG SER A 99 -17.937 10.737 32.100 1.00 0.00 H new ATOM 1442 N SER A 100 -20.351 8.141 30.040 1.00 0.00 N ATOM 1443 CA SER A 100 -21.244 7.832 28.887 1.00 0.00 C ATOM 1444 C SER A 100 -20.680 6.651 28.097 1.00 0.00 C ATOM 1445 O SER A 100 -19.992 6.822 27.111 1.00 0.00 O ATOM 1446 CB SER A 100 -21.254 9.099 28.034 1.00 0.00 C ATOM 1447 OG SER A 100 -20.010 9.222 27.358 1.00 0.00 O ATOM 0 H SER A 100 -19.589 8.789 29.839 1.00 0.00 H new ATOM 0 HA SER A 100 -22.250 7.556 29.203 1.00 0.00 H new ATOM 0 HB2 SER A 100 -22.070 9.059 27.313 1.00 0.00 H new ATOM 0 HB3 SER A 100 -21.427 9.973 28.663 1.00 0.00 H new ATOM 0 HG SER A 100 -19.918 8.495 26.707 1.00 0.00 H new ATOM 1453 N SER A 101 -20.966 5.453 28.524 1.00 0.00 N ATOM 1454 CA SER A 101 -20.443 4.261 27.799 1.00 0.00 C ATOM 1455 C SER A 101 -21.379 3.881 26.665 1.00 0.00 C ATOM 1456 O SER A 101 -22.493 4.355 26.576 1.00 0.00 O ATOM 1457 CB SER A 101 -20.378 3.150 28.844 1.00 0.00 C ATOM 1458 OG SER A 101 -19.975 3.701 30.090 1.00 0.00 O ATOM 0 H SER A 101 -21.539 5.247 29.343 1.00 0.00 H new ATOM 0 HA SER A 101 -19.467 4.449 27.351 1.00 0.00 H new ATOM 0 HB2 SER A 101 -21.352 2.671 28.943 1.00 0.00 H new ATOM 0 HB3 SER A 101 -19.674 2.380 28.529 1.00 0.00 H new ATOM 0 HG SER A 101 -20.768 3.946 30.611 1.00 0.00 H new ATOM 1464 N THR A 102 -20.924 3.040 25.788 1.00 0.00 N ATOM 1465 CA THR A 102 -21.775 2.639 24.644 1.00 0.00 C ATOM 1466 C THR A 102 -21.507 1.189 24.258 1.00 0.00 C ATOM 1467 O THR A 102 -20.376 0.740 24.230 1.00 0.00 O ATOM 1468 CB THR A 102 -21.356 3.576 23.515 1.00 0.00 C ATOM 1469 OG1 THR A 102 -21.182 4.889 24.027 1.00 0.00 O ATOM 1470 CG2 THR A 102 -22.438 3.585 22.447 1.00 0.00 C ATOM 0 H THR A 102 -19.998 2.612 25.814 1.00 0.00 H new ATOM 0 HA THR A 102 -22.838 2.708 24.873 1.00 0.00 H new ATOM 0 HB THR A 102 -20.417 3.232 23.082 1.00 0.00 H new ATOM 0 HG1 THR A 102 -20.911 5.490 23.302 1.00 0.00 H new ATOM 0 HG21 THR A 102 -22.144 4.253 21.637 1.00 0.00 H new ATOM 0 HG22 THR A 102 -22.571 2.577 22.055 1.00 0.00 H new ATOM 0 HG23 THR A 102 -23.375 3.932 22.882 1.00 0.00 H new ATOM 1478 N CYS A 103 -22.535 0.454 23.942 1.00 0.00 N ATOM 1479 CA CYS A 103 -22.324 -0.956 23.536 1.00 0.00 C ATOM 1480 C CYS A 103 -21.468 -0.971 22.272 1.00 0.00 C ATOM 1481 O CYS A 103 -21.925 -0.648 21.195 1.00 0.00 O ATOM 1482 CB CYS A 103 -23.719 -1.511 23.259 1.00 0.00 C ATOM 1483 SG CYS A 103 -23.579 -3.254 22.799 1.00 0.00 S ATOM 0 H CYS A 103 -23.505 0.769 23.948 1.00 0.00 H new ATOM 0 HA CYS A 103 -21.814 -1.551 24.293 1.00 0.00 H new ATOM 0 HB2 CYS A 103 -24.349 -1.404 24.142 1.00 0.00 H new ATOM 0 HB3 CYS A 103 -24.196 -0.947 22.457 1.00 0.00 H new ATOM 1488 N SER A 104 -20.221 -1.307 22.397 1.00 0.00 N ATOM 1489 CA SER A 104 -19.339 -1.304 21.201 1.00 0.00 C ATOM 1490 C SER A 104 -19.634 -2.485 20.295 1.00 0.00 C ATOM 1491 O SER A 104 -20.473 -3.314 20.589 1.00 0.00 O ATOM 1492 CB SER A 104 -17.915 -1.378 21.749 1.00 0.00 C ATOM 1493 OG SER A 104 -17.269 -0.128 21.547 1.00 0.00 O ATOM 0 H SER A 104 -19.773 -1.583 23.271 1.00 0.00 H new ATOM 0 HA SER A 104 -19.494 -0.413 20.592 1.00 0.00 H new ATOM 0 HB2 SER A 104 -17.934 -1.623 22.811 1.00 0.00 H new ATOM 0 HB3 SER A 104 -17.361 -2.172 21.248 1.00 0.00 H new ATOM 0 HG SER A 104 -16.355 -0.171 21.899 1.00 0.00 H new ATOM 1499 N PRO A 105 -18.938 -2.493 19.197 1.00 0.00 N ATOM 1500 CA PRO A 105 -19.126 -3.548 18.195 1.00 0.00 C ATOM 1501 C PRO A 105 -18.377 -4.819 18.592 1.00 0.00 C ATOM 1502 O PRO A 105 -18.258 -5.751 17.821 1.00 0.00 O ATOM 1503 CB PRO A 105 -18.546 -2.947 16.931 1.00 0.00 C ATOM 1504 CG PRO A 105 -17.546 -1.928 17.392 1.00 0.00 C ATOM 1505 CD PRO A 105 -17.917 -1.522 18.797 1.00 0.00 C ATOM 0 HA PRO A 105 -20.169 -3.844 18.082 1.00 0.00 H new ATOM 0 HB2 PRO A 105 -18.072 -3.711 16.315 1.00 0.00 H new ATOM 0 HB3 PRO A 105 -19.324 -2.486 16.323 1.00 0.00 H new ATOM 0 HG2 PRO A 105 -16.538 -2.343 17.368 1.00 0.00 H new ATOM 0 HG3 PRO A 105 -17.550 -1.062 16.730 1.00 0.00 H new ATOM 0 HD2 PRO A 105 -17.054 -1.556 19.462 1.00 0.00 H new ATOM 0 HD3 PRO A 105 -18.303 -0.503 18.828 1.00 0.00 H new ATOM 1513 N GLY A 106 -17.876 -4.872 19.789 1.00 0.00 N ATOM 1514 CA GLY A 106 -17.152 -6.091 20.224 1.00 0.00 C ATOM 1515 C GLY A 106 -18.044 -6.884 21.181 1.00 0.00 C ATOM 1516 O GLY A 106 -17.622 -7.854 21.777 1.00 0.00 O ATOM 0 H GLY A 106 -17.936 -4.127 20.483 1.00 0.00 H new ATOM 0 HA2 GLY A 106 -16.890 -6.702 19.360 1.00 0.00 H new ATOM 0 HA3 GLY A 106 -16.219 -5.819 20.717 1.00 0.00 H new ATOM 1520 N ASN A 107 -19.280 -6.468 21.328 1.00 0.00 N ATOM 1521 CA ASN A 107 -20.229 -7.175 22.238 1.00 0.00 C ATOM 1522 C ASN A 107 -19.913 -6.829 23.691 1.00 0.00 C ATOM 1523 O ASN A 107 -19.591 -7.690 24.485 1.00 0.00 O ATOM 1524 CB ASN A 107 -20.021 -8.671 21.982 1.00 0.00 C ATOM 1525 CG ASN A 107 -21.369 -9.338 21.706 1.00 0.00 C ATOM 1526 OD1 ASN A 107 -22.040 -9.778 22.618 1.00 0.00 O ATOM 1527 ND2 ASN A 107 -21.795 -9.433 20.476 1.00 0.00 N ATOM 0 H ASN A 107 -19.673 -5.658 20.849 1.00 0.00 H new ATOM 0 HA ASN A 107 -21.263 -6.883 22.053 1.00 0.00 H new ATOM 0 HB2 ASN A 107 -19.352 -8.815 21.133 1.00 0.00 H new ATOM 0 HB3 ASN A 107 -19.545 -9.135 22.846 1.00 0.00 H new ATOM 0 HD21 ASN A 107 -22.692 -9.877 20.280 1.00 0.00 H new ATOM 0 HD22 ASN A 107 -21.231 -9.063 19.711 1.00 0.00 H new ATOM 1534 N THR A 108 -20.003 -5.574 24.051 1.00 0.00 N ATOM 1535 CA THR A 108 -19.704 -5.196 25.460 1.00 0.00 C ATOM 1536 C THR A 108 -19.934 -3.706 25.708 1.00 0.00 C ATOM 1537 O THR A 108 -20.239 -2.946 24.811 1.00 0.00 O ATOM 1538 CB THR A 108 -18.233 -5.540 25.656 1.00 0.00 C ATOM 1539 OG1 THR A 108 -17.601 -5.665 24.386 1.00 0.00 O ATOM 1540 CG2 THR A 108 -18.138 -6.853 26.423 1.00 0.00 C ATOM 0 H THR A 108 -20.268 -4.804 23.436 1.00 0.00 H new ATOM 0 HA THR A 108 -20.357 -5.723 26.156 1.00 0.00 H new ATOM 0 HB THR A 108 -17.733 -4.752 26.219 1.00 0.00 H new ATOM 0 HG1 THR A 108 -16.654 -5.885 24.512 1.00 0.00 H new ATOM 0 HG21 THR A 108 -17.090 -7.113 26.571 1.00 0.00 H new ATOM 0 HG22 THR A 108 -18.625 -6.744 27.392 1.00 0.00 H new ATOM 0 HG23 THR A 108 -18.631 -7.642 25.855 1.00 0.00 H new ATOM 1548 N TRP A 109 -19.786 -3.296 26.936 1.00 0.00 N ATOM 1549 CA TRP A 109 -19.989 -1.867 27.291 1.00 0.00 C ATOM 1550 C TRP A 109 -18.647 -1.138 27.368 1.00 0.00 C ATOM 1551 O TRP A 109 -17.971 -1.155 28.377 1.00 0.00 O ATOM 1552 CB TRP A 109 -20.688 -1.915 28.644 1.00 0.00 C ATOM 1553 CG TRP A 109 -22.144 -2.117 28.392 1.00 0.00 C ATOM 1554 CD1 TRP A 109 -22.888 -3.162 28.828 1.00 0.00 C ATOM 1555 CD2 TRP A 109 -23.039 -1.267 27.625 1.00 0.00 C ATOM 1556 NE1 TRP A 109 -24.184 -3.005 28.368 1.00 0.00 N ATOM 1557 CE2 TRP A 109 -24.327 -1.846 27.626 1.00 0.00 C ATOM 1558 CE3 TRP A 109 -22.853 -0.056 26.937 1.00 0.00 C ATOM 1559 CZ2 TRP A 109 -25.397 -1.241 26.963 1.00 0.00 C ATOM 1560 CZ3 TRP A 109 -23.927 0.556 26.273 1.00 0.00 C ATOM 1561 CH2 TRP A 109 -25.196 -0.034 26.285 1.00 0.00 C ATOM 0 H TRP A 109 -19.530 -3.899 27.718 1.00 0.00 H new ATOM 0 HA TRP A 109 -20.576 -1.322 26.552 1.00 0.00 H new ATOM 0 HB2 TRP A 109 -20.289 -2.726 29.253 1.00 0.00 H new ATOM 0 HB3 TRP A 109 -20.519 -0.990 29.195 1.00 0.00 H new ATOM 0 HD1 TRP A 109 -22.530 -3.981 29.434 1.00 0.00 H new ATOM 0 HE1 TRP A 109 -24.941 -3.663 28.553 1.00 0.00 H new ATOM 0 HE3 TRP A 109 -21.877 0.407 26.919 1.00 0.00 H new ATOM 0 HZ2 TRP A 109 -26.374 -1.702 26.974 1.00 0.00 H new ATOM 0 HZ3 TRP A 109 -23.773 1.488 25.749 1.00 0.00 H new ATOM 0 HH2 TRP A 109 -26.019 0.442 25.772 1.00 0.00 H new ATOM 1572 N LYS A 110 -18.262 -0.496 26.297 1.00 0.00 N ATOM 1573 CA LYS A 110 -16.967 0.242 26.286 1.00 0.00 C ATOM 1574 C LYS A 110 -17.240 1.753 26.318 1.00 0.00 C ATOM 1575 O LYS A 110 -18.118 2.226 25.626 1.00 0.00 O ATOM 1576 CB LYS A 110 -16.301 -0.167 24.970 1.00 0.00 C ATOM 1577 CG LYS A 110 -16.174 -1.692 24.920 1.00 0.00 C ATOM 1578 CD LYS A 110 -14.738 -2.102 25.261 1.00 0.00 C ATOM 1579 CE LYS A 110 -13.780 -1.540 24.209 1.00 0.00 C ATOM 1580 NZ LYS A 110 -12.773 -0.763 24.984 1.00 0.00 N ATOM 0 H LYS A 110 -18.792 -0.451 25.426 1.00 0.00 H new ATOM 0 HA LYS A 110 -16.336 0.013 27.145 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -16.891 0.188 24.125 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -15.317 0.294 24.888 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -16.870 -2.148 25.625 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -16.441 -2.056 23.928 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -14.468 -1.730 26.249 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -14.658 -3.188 25.297 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -13.308 -2.339 23.637 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -14.305 -0.905 23.495 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -12.079 -0.345 24.331 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -13.251 -0.005 25.513 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -12.285 -1.395 25.650 1.00 0.00 H new ATOM 1594 N PRO A 111 -16.496 2.473 27.126 1.00 0.00 N ATOM 1595 CA PRO A 111 -15.423 1.871 27.967 1.00 0.00 C ATOM 1596 C PRO A 111 -16.012 1.019 29.093 1.00 0.00 C ATOM 1597 O PRO A 111 -17.189 1.085 29.388 1.00 0.00 O ATOM 1598 CB PRO A 111 -14.700 3.084 28.546 1.00 0.00 C ATOM 1599 CG PRO A 111 -15.712 4.181 28.518 1.00 0.00 C ATOM 1600 CD PRO A 111 -16.598 3.922 27.331 1.00 0.00 C ATOM 0 HA PRO A 111 -14.771 1.208 27.398 1.00 0.00 H new ATOM 0 HB2 PRO A 111 -14.354 2.891 29.561 1.00 0.00 H new ATOM 0 HB3 PRO A 111 -13.822 3.341 27.954 1.00 0.00 H new ATOM 0 HG2 PRO A 111 -16.294 4.194 29.440 1.00 0.00 H new ATOM 0 HG3 PRO A 111 -15.226 5.153 28.434 1.00 0.00 H new ATOM 0 HD2 PRO A 111 -17.626 4.227 27.526 1.00 0.00 H new ATOM 0 HD3 PRO A 111 -16.262 4.475 26.453 1.00 0.00 H new ATOM 1608 N GLU A 112 -15.195 0.219 29.722 1.00 0.00 N ATOM 1609 CA GLU A 112 -15.695 -0.641 30.832 1.00 0.00 C ATOM 1610 C GLU A 112 -16.647 0.159 31.721 1.00 0.00 C ATOM 1611 O GLU A 112 -16.372 1.288 32.076 1.00 0.00 O ATOM 1612 CB GLU A 112 -14.446 -1.045 31.616 1.00 0.00 C ATOM 1613 CG GLU A 112 -14.687 -2.387 32.309 1.00 0.00 C ATOM 1614 CD GLU A 112 -13.343 -3.025 32.667 1.00 0.00 C ATOM 1615 OE1 GLU A 112 -12.340 -2.337 32.574 1.00 0.00 O ATOM 1616 OE2 GLU A 112 -13.340 -4.191 33.028 1.00 0.00 O ATOM 0 H GLU A 112 -14.201 0.124 29.515 1.00 0.00 H new ATOM 0 HA GLU A 112 -16.245 -1.509 30.469 1.00 0.00 H new ATOM 0 HB2 GLU A 112 -13.591 -1.120 30.944 1.00 0.00 H new ATOM 0 HB3 GLU A 112 -14.205 -0.281 32.355 1.00 0.00 H new ATOM 0 HG2 GLU A 112 -15.284 -2.241 33.209 1.00 0.00 H new ATOM 0 HG3 GLU A 112 -15.253 -3.050 31.655 1.00 0.00 H new ATOM 1623 N LEU A 113 -17.765 -0.413 32.084 1.00 0.00 N ATOM 1624 CA LEU A 113 -18.727 0.327 32.950 1.00 0.00 C ATOM 1625 C LEU A 113 -17.971 1.072 34.052 1.00 0.00 C ATOM 1626 O LEU A 113 -17.022 0.564 34.615 1.00 0.00 O ATOM 1627 CB LEU A 113 -19.647 -0.743 33.549 1.00 0.00 C ATOM 1628 CG LEU A 113 -20.608 -1.316 32.485 1.00 0.00 C ATOM 1629 CD1 LEU A 113 -20.843 -0.312 31.347 1.00 0.00 C ATOM 1630 CD2 LEU A 113 -20.014 -2.601 31.906 1.00 0.00 C ATOM 0 H LEU A 113 -18.052 -1.355 31.820 1.00 0.00 H new ATOM 0 HA LEU A 113 -19.295 1.072 32.392 1.00 0.00 H new ATOM 0 HB2 LEU A 113 -19.045 -1.548 33.970 1.00 0.00 H new ATOM 0 HB3 LEU A 113 -20.223 -0.313 34.369 1.00 0.00 H new ATOM 0 HG LEU A 113 -21.565 -1.522 32.965 1.00 0.00 H new ATOM 0 HD11 LEU A 113 -21.524 -0.745 30.614 1.00 0.00 H new ATOM 0 HD12 LEU A 113 -21.279 0.601 31.752 1.00 0.00 H new ATOM 0 HD13 LEU A 113 -19.893 -0.078 30.866 1.00 0.00 H new ATOM 0 HD21 LEU A 113 -20.690 -3.008 31.154 1.00 0.00 H new ATOM 0 HD22 LEU A 113 -19.050 -2.381 31.446 1.00 0.00 H new ATOM 0 HD23 LEU A 113 -19.877 -3.331 32.704 1.00 0.00 H new ATOM 1642 N PRO A 114 -18.421 2.267 34.308 1.00 0.00 N ATOM 1643 CA PRO A 114 -17.784 3.123 35.337 1.00 0.00 C ATOM 1644 C PRO A 114 -18.063 2.605 36.750 1.00 0.00 C ATOM 1645 O PRO A 114 -18.874 1.724 36.953 1.00 0.00 O ATOM 1646 CB PRO A 114 -18.431 4.484 35.114 1.00 0.00 C ATOM 1647 CG PRO A 114 -19.737 4.201 34.445 1.00 0.00 C ATOM 1648 CD PRO A 114 -19.562 2.927 33.664 1.00 0.00 C ATOM 0 HA PRO A 114 -16.698 3.147 35.250 1.00 0.00 H new ATOM 0 HB2 PRO A 114 -18.579 5.007 36.059 1.00 0.00 H new ATOM 0 HB3 PRO A 114 -17.801 5.121 34.492 1.00 0.00 H new ATOM 0 HG2 PRO A 114 -20.533 4.096 35.182 1.00 0.00 H new ATOM 0 HG3 PRO A 114 -20.019 5.022 33.786 1.00 0.00 H new ATOM 0 HD2 PRO A 114 -20.457 2.307 33.707 1.00 0.00 H new ATOM 0 HD3 PRO A 114 -19.364 3.129 32.611 1.00 0.00 H new ATOM 1656 N LYS A 115 -17.386 3.148 37.728 1.00 0.00 N ATOM 1657 CA LYS A 115 -17.600 2.689 39.131 1.00 0.00 C ATOM 1658 C LYS A 115 -17.959 3.866 40.042 1.00 0.00 C ATOM 1659 O LYS A 115 -17.127 4.684 40.369 1.00 0.00 O ATOM 1660 CB LYS A 115 -16.262 2.075 39.552 1.00 0.00 C ATOM 1661 CG LYS A 115 -16.220 1.925 41.074 1.00 0.00 C ATOM 1662 CD LYS A 115 -15.341 0.730 41.447 1.00 0.00 C ATOM 1663 CE LYS A 115 -15.261 0.610 42.970 1.00 0.00 C ATOM 1664 NZ LYS A 115 -13.812 0.739 43.287 1.00 0.00 N ATOM 0 H LYS A 115 -16.694 3.889 37.615 1.00 0.00 H new ATOM 0 HA LYS A 115 -18.423 1.979 39.205 1.00 0.00 H new ATOM 0 HB2 LYS A 115 -16.132 1.102 39.077 1.00 0.00 H new ATOM 0 HB3 LYS A 115 -15.439 2.706 39.216 1.00 0.00 H new ATOM 0 HG2 LYS A 115 -15.827 2.834 41.529 1.00 0.00 H new ATOM 0 HG3 LYS A 115 -17.228 1.784 41.464 1.00 0.00 H new ATOM 0 HD2 LYS A 115 -15.753 -0.185 41.021 1.00 0.00 H new ATOM 0 HD3 LYS A 115 -14.342 0.855 41.029 1.00 0.00 H new ATOM 0 HE2 LYS A 115 -15.844 1.390 43.459 1.00 0.00 H new ATOM 0 HE3 LYS A 115 -15.657 -0.346 43.313 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 -13.674 0.667 44.315 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 -13.284 -0.021 42.813 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 -13.465 1.661 42.955 1.00 0.00 H new ATOM 1678 N CYS A 116 -19.189 3.945 40.471 1.00 0.00 N ATOM 1679 CA CYS A 116 -19.591 5.055 41.380 1.00 0.00 C ATOM 1680 C CYS A 116 -18.768 4.965 42.664 1.00 0.00 C ATOM 1681 O CYS A 116 -19.066 4.204 43.563 1.00 0.00 O ATOM 1682 CB CYS A 116 -21.079 4.810 41.640 1.00 0.00 C ATOM 1683 SG CYS A 116 -21.944 6.361 42.014 1.00 0.00 S ATOM 0 H CYS A 116 -19.932 3.289 40.231 1.00 0.00 H new ATOM 0 HA CYS A 116 -19.422 6.049 40.967 1.00 0.00 H new ATOM 0 HB2 CYS A 116 -21.531 4.340 40.767 1.00 0.00 H new ATOM 0 HB3 CYS A 116 -21.196 4.116 42.472 1.00 0.00 H new ATOM 1688 N VAL A 117 -17.720 5.732 42.734 1.00 0.00 N ATOM 1689 CA VAL A 117 -16.837 5.702 43.937 1.00 0.00 C ATOM 1690 C VAL A 117 -17.082 6.904 44.826 1.00 0.00 C ATOM 1691 O VAL A 117 -17.915 7.744 44.552 1.00 0.00 O ATOM 1692 CB VAL A 117 -15.389 5.728 43.429 1.00 0.00 C ATOM 1693 CG1 VAL A 117 -14.895 4.301 43.324 1.00 0.00 C ATOM 1694 CG2 VAL A 117 -15.281 6.394 42.051 1.00 0.00 C ATOM 0 H VAL A 117 -17.432 6.385 42.005 1.00 0.00 H new ATOM 0 HA VAL A 117 -17.041 4.809 44.528 1.00 0.00 H new ATOM 0 HB VAL A 117 -14.787 6.307 44.130 1.00 0.00 H new ATOM 0 HG11 VAL A 117 -13.866 4.298 42.964 1.00 0.00 H new ATOM 0 HG12 VAL A 117 -14.938 3.828 44.305 1.00 0.00 H new ATOM 0 HG13 VAL A 117 -15.525 3.748 42.627 1.00 0.00 H new ATOM 0 HG21 VAL A 117 -14.240 6.392 41.727 1.00 0.00 H new ATOM 0 HG22 VAL A 117 -15.886 5.842 41.332 1.00 0.00 H new ATOM 0 HG23 VAL A 117 -15.640 7.421 42.114 1.00 0.00 H new ATOM 1704 N ARG A 118 -16.352 6.988 45.898 1.00 0.00 N ATOM 1705 CA ARG A 118 -16.535 8.131 46.817 1.00 0.00 C ATOM 1706 C ARG A 118 -15.279 9.006 46.835 1.00 0.00 C ATOM 1707 O ARG A 118 -14.322 8.621 47.486 1.00 0.00 O ATOM 1708 CB ARG A 118 -16.781 7.512 48.197 1.00 0.00 C ATOM 1709 CG ARG A 118 -17.686 6.283 48.063 1.00 0.00 C ATOM 1710 CD ARG A 118 -16.839 5.012 48.171 1.00 0.00 C ATOM 1711 NE ARG A 118 -16.794 4.704 49.627 1.00 0.00 N ATOM 1712 CZ ARG A 118 -16.235 3.602 50.047 1.00 0.00 C ATOM 1713 NH1 ARG A 118 -16.011 2.623 49.212 1.00 0.00 N ATOM 1714 NH2 ARG A 118 -15.902 3.478 51.302 1.00 0.00 N ATOM 1715 OXT ARG A 118 -15.296 10.046 46.196 1.00 0.00 O ATOM 0 H ARG A 118 -15.638 6.314 46.175 1.00 0.00 H new ATOM 0 HA ARG A 118 -17.363 8.771 46.510 1.00 0.00 H new ATOM 0 HB2 ARG A 118 -15.832 7.228 48.652 1.00 0.00 H new ATOM 0 HB3 ARG A 118 -17.244 8.245 48.857 1.00 0.00 H new ATOM 0 HG2 ARG A 118 -18.448 6.292 48.842 1.00 0.00 H new ATOM 0 HG3 ARG A 118 -18.208 6.305 47.106 1.00 0.00 H new ATOM 0 HD2 ARG A 118 -17.284 4.192 47.607 1.00 0.00 H new ATOM 0 HD3 ARG A 118 -15.838 5.169 47.769 1.00 0.00 H new ATOM 0 HE ARG A 118 -17.201 5.356 50.298 1.00 0.00 H new ATOM 0 HH11 ARG A 118 -16.273 2.719 48.231 1.00 0.00 H new ATOM 0 HH12 ARG A 118 -15.574 1.762 49.541 1.00 0.00 H new ATOM 0 HH21 ARG A 118 -16.079 4.242 51.954 1.00 0.00 H new ATOM 0 HH22 ARG A 118 -15.465 2.617 51.631 1.00 0.00 H new