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 80 SER OG : rot 180:sc= -0.718 USER MOD Set 1.2: A 82 ASN : amide:sc= -2.77! C(o=-3.5!,f=-7.7!) USER MOD Set 2.1: A 5 SER OG : rot 180:sc= -0.474 USER MOD Set 2.2: A 14 HIS : no HD1:sc= -11.7! C(o=-12!,f=-12!) USER MOD Single : A 1 VAL N :NH3+ 128:sc= 0.00315 (180deg=-0.746) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 GLN : amide:sc= -0.122 K(o=-0.12,f=1.2) USER MOD Single : A 8 SER OG : rot 180:sc= 0.0508 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 11 ASN : amide:sc= -3.28! C(o=-3.3!,f=-2.2!) USER MOD Single : A 15 ASN : amide:sc= -1.3 X(o=-1.3,f=-1.2!) USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 TYR OH : rot -30:sc= -2.92! USER MOD Single : A 22 THR OG1 : rot 36:sc= -1.54! USER MOD Single : A 25 SER OG : rot 110:sc= 0.391 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0.115 USER MOD Single : A 29 TYR OH : rot 180:sc= -0.0129 USER MOD Single : A 30 SER OG : rot 180:sc= -0.927 USER MOD Single : A 32 ASN : amide:sc= 0 X(o=0,f=-0.043) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot -84:sc= -5.92! USER MOD Single : A 40 ASN : amide:sc= -1.12 K(o=-1.1,f=-2.5) USER MOD Single : A 41 SER OG : rot 180:sc= 0.0479 USER MOD Single : A 46 SER OG : rot 180:sc= 0.0102 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 55 THR OG1 : rot -83:sc= -5.8! USER MOD Single : A 57 GLN : amide:sc= -0.806 X(o=-0.81,f=-0.8) USER MOD Single : A 60 LYS NZ :NH3+ 162:sc= 0 (180deg=-0.25) USER MOD Single : A 63 HIS : no HE2:sc= -3.6 K(o=-3.6,f=-6.2!) USER MOD Single : A 65 THR OG1 : rot 180:sc= -0.634 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 68 ASN : amide:sc= -1.36 K(o=-1.4,f=-6.9!) USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot -45:sc= 0.398 USER MOD Single : A 73 SER OG : rot -150:sc=-0.00761 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 79 TYR OH : rot 136:sc= -3.79! USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 ASN : amide:sc= -1.89 K(o=-1.9,f=-4!) 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 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 SER OG : rot 180:sc= -0.158 USER MOD Single : A 98 SER OG : rot 19:sc= -0.428! USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 100 SER OG : rot 3:sc= 0.799! USER MOD Single : A 101 SER OG : rot -118:sc= 0.0047 USER MOD Single : A 102 THR OG1 : rot 180:sc= 0 USER MOD Single : A 104 SER OG : rot -140:sc= -0.753 USER MOD Single : A 107 ASN : amide:sc= -9.77! C(o=-9.8!,f=-20!) USER MOD Single : A 108 THR OG1 : rot 180:sc= -1.54! 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 -7.834 18.140 -14.097 1.00 0.00 N ATOM 2 CA VAL A 1 -6.652 18.654 -14.847 1.00 0.00 C ATOM 3 C VAL A 1 -6.536 17.941 -16.196 1.00 0.00 C ATOM 4 O VAL A 1 -7.048 16.854 -16.378 1.00 0.00 O ATOM 5 CB VAL A 1 -5.450 18.327 -13.961 1.00 0.00 C ATOM 6 CG1 VAL A 1 -5.221 16.814 -13.947 1.00 0.00 C ATOM 7 CG2 VAL A 1 -4.206 19.027 -14.512 1.00 0.00 C ATOM 0 H1 VAL A 1 -7.541 17.852 -13.142 1.00 0.00 H new ATOM 0 H2 VAL A 1 -8.553 18.888 -14.028 1.00 0.00 H new ATOM 0 H3 VAL A 1 -8.233 17.321 -14.598 1.00 0.00 H new ATOM 0 HA VAL A 1 -6.724 19.721 -15.056 1.00 0.00 H new ATOM 0 HB VAL A 1 -5.642 18.673 -12.946 1.00 0.00 H new ATOM 0 HG11 VAL A 1 -4.364 16.582 -13.315 1.00 0.00 H new ATOM 0 HG12 VAL A 1 -6.107 16.316 -13.554 1.00 0.00 H new ATOM 0 HG13 VAL A 1 -5.029 16.466 -14.962 1.00 0.00 H new ATOM 0 HG21 VAL A 1 -3.348 18.795 -13.881 1.00 0.00 H new ATOM 0 HG22 VAL A 1 -4.014 18.681 -15.528 1.00 0.00 H new ATOM 0 HG23 VAL A 1 -4.369 20.105 -14.520 1.00 0.00 H new ATOM 19 N LYS A 2 -5.869 18.542 -17.144 1.00 0.00 N ATOM 20 CA LYS A 2 -5.730 17.889 -18.477 1.00 0.00 C ATOM 21 C LYS A 2 -4.372 18.222 -19.103 1.00 0.00 C ATOM 22 O LYS A 2 -3.648 19.076 -18.631 1.00 0.00 O ATOM 23 CB LYS A 2 -6.867 18.464 -19.322 1.00 0.00 C ATOM 24 CG LYS A 2 -6.945 19.977 -19.116 1.00 0.00 C ATOM 25 CD LYS A 2 -8.178 20.527 -19.834 1.00 0.00 C ATOM 26 CE LYS A 2 -8.016 20.342 -21.344 1.00 0.00 C ATOM 27 NZ LYS A 2 -9.197 21.023 -21.944 1.00 0.00 N ATOM 0 H LYS A 2 -5.417 19.452 -17.054 1.00 0.00 H new ATOM 0 HA LYS A 2 -5.782 16.803 -18.406 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -6.701 18.238 -20.375 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -7.812 18.000 -19.042 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -6.998 20.208 -18.052 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -6.044 20.454 -19.501 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -9.074 20.011 -19.488 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -8.308 21.583 -19.598 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -7.084 20.783 -21.698 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -7.991 19.286 -21.612 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -9.157 20.939 -22.980 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -10.069 20.578 -21.594 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -9.191 22.028 -21.678 1.00 0.00 H new ATOM 41 N CYS A 3 -4.028 17.545 -20.163 1.00 0.00 N ATOM 42 CA CYS A 3 -2.721 17.798 -20.836 1.00 0.00 C ATOM 43 C CYS A 3 -2.858 17.555 -22.338 1.00 0.00 C ATOM 44 O CYS A 3 -2.927 16.432 -22.794 1.00 0.00 O ATOM 45 CB CYS A 3 -1.759 16.796 -20.199 1.00 0.00 C ATOM 46 SG CYS A 3 -0.280 16.636 -21.220 1.00 0.00 S ATOM 0 H CYS A 3 -4.601 16.821 -20.596 1.00 0.00 H new ATOM 0 HA CYS A 3 -2.371 18.823 -20.716 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -1.486 17.126 -19.197 1.00 0.00 H new ATOM 0 HB3 CYS A 3 -2.246 15.827 -20.094 1.00 0.00 H new ATOM 51 N GLN A 4 -2.901 18.606 -23.110 1.00 0.00 N ATOM 52 CA GLN A 4 -3.036 18.441 -24.586 1.00 0.00 C ATOM 53 C GLN A 4 -1.663 18.322 -25.233 1.00 0.00 C ATOM 54 O GLN A 4 -0.644 18.355 -24.572 1.00 0.00 O ATOM 55 CB GLN A 4 -3.743 19.704 -25.080 1.00 0.00 C ATOM 56 CG GLN A 4 -3.044 20.942 -24.515 1.00 0.00 C ATOM 57 CD GLN A 4 -2.826 21.962 -25.634 1.00 0.00 C ATOM 58 OE1 GLN A 4 -1.838 21.907 -26.338 1.00 0.00 O ATOM 59 NE2 GLN A 4 -3.714 22.898 -25.828 1.00 0.00 N ATOM 0 H GLN A 4 -2.849 19.571 -22.784 1.00 0.00 H new ATOM 0 HA GLN A 4 -3.593 17.539 -24.840 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -3.734 19.735 -26.170 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -4.788 19.692 -24.771 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -3.647 21.382 -23.720 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -2.088 20.662 -24.072 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -4.544 22.944 -25.237 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -3.578 23.584 -26.571 1.00 0.00 H new ATOM 68 N SER A 5 -1.633 18.191 -26.524 1.00 0.00 N ATOM 69 CA SER A 5 -0.326 18.075 -27.227 1.00 0.00 C ATOM 70 C SER A 5 0.645 19.116 -26.668 1.00 0.00 C ATOM 71 O SER A 5 0.261 20.232 -26.384 1.00 0.00 O ATOM 72 CB SER A 5 -0.636 18.350 -28.698 1.00 0.00 C ATOM 73 OG SER A 5 -0.276 19.689 -29.011 1.00 0.00 O ATOM 0 H SER A 5 -2.456 18.159 -27.126 1.00 0.00 H new ATOM 0 HA SER A 5 0.138 17.098 -27.097 1.00 0.00 H new ATOM 0 HB2 SER A 5 -0.087 17.655 -29.333 1.00 0.00 H new ATOM 0 HB3 SER A 5 -1.696 18.191 -28.894 1.00 0.00 H new ATOM 0 HG SER A 5 -0.472 19.868 -29.954 1.00 0.00 H new ATOM 79 N PRO A 6 1.871 18.707 -26.516 1.00 0.00 N ATOM 80 CA PRO A 6 2.915 19.609 -25.965 1.00 0.00 C ATOM 81 C PRO A 6 3.282 20.695 -26.976 1.00 0.00 C ATOM 82 O PRO A 6 2.936 20.609 -28.133 1.00 0.00 O ATOM 83 CB PRO A 6 4.102 18.675 -25.748 1.00 0.00 C ATOM 84 CG PRO A 6 3.896 17.565 -26.723 1.00 0.00 C ATOM 85 CD PRO A 6 2.406 17.378 -26.838 1.00 0.00 C ATOM 0 HA PRO A 6 2.595 20.126 -25.060 1.00 0.00 H new ATOM 0 HB2 PRO A 6 5.047 19.188 -25.926 1.00 0.00 H new ATOM 0 HB3 PRO A 6 4.130 18.302 -24.724 1.00 0.00 H new ATOM 0 HG2 PRO A 6 4.333 17.811 -27.691 1.00 0.00 H new ATOM 0 HG3 PRO A 6 4.378 16.650 -26.379 1.00 0.00 H new ATOM 0 HD2 PRO A 6 2.117 17.060 -27.840 1.00 0.00 H new ATOM 0 HD3 PRO A 6 2.041 16.619 -26.145 1.00 0.00 H new ATOM 93 N PRO A 7 4.005 21.670 -26.507 1.00 0.00 N ATOM 94 CA PRO A 7 4.465 22.764 -27.393 1.00 0.00 C ATOM 95 C PRO A 7 5.523 22.207 -28.338 1.00 0.00 C ATOM 96 O PRO A 7 5.836 21.034 -28.302 1.00 0.00 O ATOM 97 CB PRO A 7 5.061 23.784 -26.426 1.00 0.00 C ATOM 98 CG PRO A 7 5.442 22.988 -25.219 1.00 0.00 C ATOM 99 CD PRO A 7 4.459 21.850 -25.124 1.00 0.00 C ATOM 0 HA PRO A 7 3.683 23.205 -28.011 1.00 0.00 H new ATOM 0 HB2 PRO A 7 5.927 24.282 -26.861 1.00 0.00 H new ATOM 0 HB3 PRO A 7 4.339 24.561 -26.176 1.00 0.00 H new ATOM 0 HG2 PRO A 7 6.461 22.613 -25.309 1.00 0.00 H new ATOM 0 HG3 PRO A 7 5.408 23.605 -24.321 1.00 0.00 H new ATOM 0 HD2 PRO A 7 4.928 20.946 -24.735 1.00 0.00 H new ATOM 0 HD3 PRO A 7 3.630 22.091 -24.458 1.00 0.00 H new ATOM 107 N SER A 8 6.081 23.019 -29.183 1.00 0.00 N ATOM 108 CA SER A 8 7.119 22.493 -30.119 1.00 0.00 C ATOM 109 C SER A 8 8.478 22.428 -29.426 1.00 0.00 C ATOM 110 O SER A 8 9.491 22.803 -29.980 1.00 0.00 O ATOM 111 CB SER A 8 7.148 23.472 -31.292 1.00 0.00 C ATOM 112 OG SER A 8 5.902 24.150 -31.369 1.00 0.00 O ATOM 0 H SER A 8 5.871 24.013 -29.271 1.00 0.00 H new ATOM 0 HA SER A 8 6.891 21.481 -30.452 1.00 0.00 H new ATOM 0 HB2 SER A 8 7.958 24.190 -31.162 1.00 0.00 H new ATOM 0 HB3 SER A 8 7.342 22.938 -32.222 1.00 0.00 H new ATOM 0 HG SER A 8 5.918 24.780 -32.120 1.00 0.00 H new ATOM 118 N ILE A 9 8.489 21.925 -28.224 1.00 0.00 N ATOM 119 CA ILE A 9 9.762 21.794 -27.445 1.00 0.00 C ATOM 120 C ILE A 9 10.648 23.001 -27.665 1.00 0.00 C ATOM 121 O ILE A 9 10.260 23.990 -28.253 1.00 0.00 O ATOM 122 CB ILE A 9 10.455 20.500 -27.938 1.00 0.00 C ATOM 123 CG1 ILE A 9 11.607 20.792 -28.901 1.00 0.00 C ATOM 124 CG2 ILE A 9 9.458 19.625 -28.676 1.00 0.00 C ATOM 125 CD1 ILE A 9 12.191 19.473 -29.407 1.00 0.00 C ATOM 0 H ILE A 9 7.658 21.592 -27.736 1.00 0.00 H new ATOM 0 HA ILE A 9 9.563 21.740 -26.375 1.00 0.00 H new ATOM 0 HB ILE A 9 10.845 20.000 -27.052 1.00 0.00 H new ATOM 0 HG12 ILE A 9 11.252 21.391 -29.740 1.00 0.00 H new ATOM 0 HG13 ILE A 9 12.378 21.375 -28.397 1.00 0.00 H new ATOM 0 HG21 ILE A 9 9.955 18.717 -29.019 1.00 0.00 H new ATOM 0 HG22 ILE A 9 8.640 19.360 -28.006 1.00 0.00 H new ATOM 0 HG23 ILE A 9 9.062 20.168 -29.534 1.00 0.00 H new ATOM 0 HD11 ILE A 9 13.012 19.678 -30.094 1.00 0.00 H new ATOM 0 HD12 ILE A 9 12.561 18.891 -28.563 1.00 0.00 H new ATOM 0 HD13 ILE A 9 11.417 18.908 -29.926 1.00 0.00 H new ATOM 137 N SER A 10 11.847 22.922 -27.202 1.00 0.00 N ATOM 138 CA SER A 10 12.757 24.054 -27.412 1.00 0.00 C ATOM 139 C SER A 10 13.728 23.733 -28.553 1.00 0.00 C ATOM 140 O SER A 10 14.570 22.866 -28.438 1.00 0.00 O ATOM 141 CB SER A 10 13.493 24.255 -26.088 1.00 0.00 C ATOM 142 OG SER A 10 12.588 24.775 -25.122 1.00 0.00 O ATOM 0 H SER A 10 12.234 22.129 -26.691 1.00 0.00 H new ATOM 0 HA SER A 10 12.227 24.963 -27.696 1.00 0.00 H new ATOM 0 HB2 SER A 10 13.908 23.308 -25.742 1.00 0.00 H new ATOM 0 HB3 SER A 10 14.330 24.939 -26.224 1.00 0.00 H new ATOM 0 HG SER A 10 13.056 24.904 -24.271 1.00 0.00 H new ATOM 148 N ASN A 11 13.602 24.425 -29.657 1.00 0.00 N ATOM 149 CA ASN A 11 14.499 24.174 -30.829 1.00 0.00 C ATOM 150 C ASN A 11 14.101 22.872 -31.538 1.00 0.00 C ATOM 151 O ASN A 11 14.941 22.123 -31.996 1.00 0.00 O ATOM 152 CB ASN A 11 15.920 24.066 -30.261 1.00 0.00 C ATOM 153 CG ASN A 11 16.117 25.107 -29.155 1.00 0.00 C ATOM 154 OD1 ASN A 11 16.923 24.920 -28.266 1.00 0.00 O ATOM 155 ND2 ASN A 11 15.410 26.204 -29.175 1.00 0.00 N ATOM 0 H ASN A 11 12.910 25.160 -29.799 1.00 0.00 H new ATOM 0 HA ASN A 11 14.427 24.974 -31.566 1.00 0.00 H new ATOM 0 HB2 ASN A 11 16.088 23.065 -29.865 1.00 0.00 H new ATOM 0 HB3 ASN A 11 16.651 24.222 -31.054 1.00 0.00 H new ATOM 0 HD21 ASN A 11 15.534 26.904 -28.444 1.00 0.00 H new ATOM 0 HD22 ASN A 11 14.733 26.361 -29.922 1.00 0.00 H new ATOM 162 N GLY A 12 12.826 22.602 -31.640 1.00 0.00 N ATOM 163 CA GLY A 12 12.379 21.354 -32.329 1.00 0.00 C ATOM 164 C GLY A 12 10.848 21.287 -32.334 1.00 0.00 C ATOM 165 O GLY A 12 10.172 22.294 -32.257 1.00 0.00 O ATOM 0 H GLY A 12 12.076 23.190 -31.277 1.00 0.00 H new ATOM 0 HA2 GLY A 12 12.757 21.336 -33.351 1.00 0.00 H new ATOM 0 HA3 GLY A 12 12.789 20.480 -31.822 1.00 0.00 H new ATOM 169 N ARG A 13 10.294 20.106 -32.432 1.00 0.00 N ATOM 170 CA ARG A 13 8.805 19.974 -32.451 1.00 0.00 C ATOM 171 C ARG A 13 8.349 18.809 -31.580 1.00 0.00 C ATOM 172 O ARG A 13 9.118 18.210 -30.857 1.00 0.00 O ATOM 173 CB ARG A 13 8.445 19.702 -33.910 1.00 0.00 C ATOM 174 CG ARG A 13 7.992 21.000 -34.576 1.00 0.00 C ATOM 175 CD ARG A 13 8.824 21.246 -35.836 1.00 0.00 C ATOM 176 NE ARG A 13 7.892 21.914 -36.787 1.00 0.00 N ATOM 177 CZ ARG A 13 8.221 22.038 -38.043 1.00 0.00 C ATOM 178 NH1 ARG A 13 8.891 21.091 -38.640 1.00 0.00 N ATOM 179 NH2 ARG A 13 7.878 23.110 -38.704 1.00 0.00 N ATOM 0 H ARG A 13 10.807 19.227 -32.500 1.00 0.00 H new ATOM 0 HA ARG A 13 8.321 20.870 -32.062 1.00 0.00 H new ATOM 0 HB2 ARG A 13 9.306 19.292 -34.437 1.00 0.00 H new ATOM 0 HB3 ARG A 13 7.652 18.956 -33.967 1.00 0.00 H new ATOM 0 HG2 ARG A 13 6.934 20.940 -34.832 1.00 0.00 H new ATOM 0 HG3 ARG A 13 8.105 21.835 -33.884 1.00 0.00 H new ATOM 0 HD2 ARG A 13 9.688 21.875 -35.622 1.00 0.00 H new ATOM 0 HD3 ARG A 13 9.204 20.311 -36.247 1.00 0.00 H new ATOM 0 HE ARG A 13 6.997 22.274 -36.456 1.00 0.00 H new ATOM 0 HH11 ARG A 13 9.158 20.252 -38.124 1.00 0.00 H new ATOM 0 HH12 ARG A 13 9.148 21.189 -39.622 1.00 0.00 H new ATOM 0 HH21 ARG A 13 7.353 23.850 -38.238 1.00 0.00 H new ATOM 0 HH22 ARG A 13 8.135 23.208 -39.686 1.00 0.00 H new ATOM 193 N HIS A 14 7.092 18.495 -31.654 1.00 0.00 N ATOM 194 CA HIS A 14 6.540 17.374 -30.842 1.00 0.00 C ATOM 195 C HIS A 14 5.444 16.645 -31.627 1.00 0.00 C ATOM 196 O HIS A 14 4.808 17.212 -32.493 1.00 0.00 O ATOM 197 CB HIS A 14 5.977 18.045 -29.593 1.00 0.00 C ATOM 198 CG HIS A 14 4.655 18.683 -29.904 1.00 0.00 C ATOM 199 ND1 HIS A 14 3.459 18.065 -29.593 1.00 0.00 N ATOM 200 CD2 HIS A 14 4.324 19.893 -30.460 1.00 0.00 C ATOM 201 CE1 HIS A 14 2.469 18.896 -29.946 1.00 0.00 C ATOM 202 NE2 HIS A 14 2.938 20.027 -30.486 1.00 0.00 N ATOM 0 H HIS A 14 6.412 18.970 -32.248 1.00 0.00 H new ATOM 0 HA HIS A 14 7.289 16.622 -30.592 1.00 0.00 H new ATOM 0 HB2 HIS A 14 5.857 17.309 -28.798 1.00 0.00 H new ATOM 0 HB3 HIS A 14 6.676 18.797 -29.228 1.00 0.00 H new ATOM 0 HD2 HIS A 14 5.029 20.627 -30.821 1.00 0.00 H new ATOM 0 HE1 HIS A 14 1.420 18.679 -29.811 1.00 0.00 H new ATOM 0 HE2 HIS A 14 2.397 20.816 -30.840 1.00 0.00 H new ATOM 210 N ASN A 15 5.221 15.392 -31.337 1.00 0.00 N ATOM 211 CA ASN A 15 4.169 14.634 -32.074 1.00 0.00 C ATOM 212 C ASN A 15 3.612 13.507 -31.201 1.00 0.00 C ATOM 213 O ASN A 15 2.629 13.675 -30.507 1.00 0.00 O ATOM 214 CB ASN A 15 4.880 14.058 -33.299 1.00 0.00 C ATOM 215 CG ASN A 15 4.538 14.897 -34.532 1.00 0.00 C ATOM 216 OD1 ASN A 15 4.922 16.045 -34.626 1.00 0.00 O ATOM 217 ND2 ASN A 15 3.824 14.368 -35.488 1.00 0.00 N ATOM 0 H ASN A 15 5.720 14.861 -30.623 1.00 0.00 H new ATOM 0 HA ASN A 15 3.325 15.267 -32.350 1.00 0.00 H new ATOM 0 HB2 ASN A 15 5.958 14.053 -33.138 1.00 0.00 H new ATOM 0 HB3 ASN A 15 4.576 13.023 -33.455 1.00 0.00 H new ATOM 0 HD21 ASN A 15 3.589 14.919 -36.314 1.00 0.00 H new ATOM 0 HD22 ASN A 15 3.501 13.404 -35.410 1.00 0.00 H new ATOM 224 N GLY A 16 4.230 12.359 -31.233 1.00 0.00 N ATOM 225 CA GLY A 16 3.731 11.223 -30.406 1.00 0.00 C ATOM 226 C GLY A 16 2.703 10.424 -31.209 1.00 0.00 C ATOM 227 O GLY A 16 3.037 9.737 -32.154 1.00 0.00 O ATOM 0 H GLY A 16 5.057 12.158 -31.795 1.00 0.00 H new ATOM 0 HA2 GLY A 16 4.561 10.579 -30.114 1.00 0.00 H new ATOM 0 HA3 GLY A 16 3.280 11.598 -29.487 1.00 0.00 H new ATOM 231 N TYR A 17 1.452 10.509 -30.842 1.00 0.00 N ATOM 232 CA TYR A 17 0.402 9.756 -31.588 1.00 0.00 C ATOM 233 C TYR A 17 -0.982 10.050 -31.001 1.00 0.00 C ATOM 234 O TYR A 17 -1.760 9.153 -30.742 1.00 0.00 O ATOM 235 CB TYR A 17 0.758 8.280 -31.403 1.00 0.00 C ATOM 236 CG TYR A 17 0.497 7.536 -32.692 1.00 0.00 C ATOM 237 CD1 TYR A 17 -0.625 7.853 -33.466 1.00 0.00 C ATOM 238 CD2 TYR A 17 1.376 6.530 -33.112 1.00 0.00 C ATOM 239 CE1 TYR A 17 -0.869 7.164 -34.660 1.00 0.00 C ATOM 240 CE2 TYR A 17 1.132 5.841 -34.306 1.00 0.00 C ATOM 241 CZ TYR A 17 0.010 6.159 -35.080 1.00 0.00 C ATOM 242 OH TYR A 17 -0.231 5.480 -36.258 1.00 0.00 O ATOM 0 H TYR A 17 1.112 11.067 -30.059 1.00 0.00 H new ATOM 0 HA TYR A 17 0.367 10.037 -32.641 1.00 0.00 H new ATOM 0 HB2 TYR A 17 1.805 8.180 -31.118 1.00 0.00 H new ATOM 0 HB3 TYR A 17 0.165 7.850 -30.595 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -1.303 8.629 -33.142 1.00 0.00 H new ATOM 0 HD2 TYR A 17 2.242 6.286 -32.515 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -1.735 7.408 -35.257 1.00 0.00 H new ATOM 0 HE2 TYR A 17 1.809 5.064 -34.630 1.00 0.00 H new ATOM 0 HH TYR A 17 0.475 4.816 -36.403 1.00 0.00 H new ATOM 252 N GLU A 18 -1.297 11.299 -30.789 1.00 0.00 N ATOM 253 CA GLU A 18 -2.632 11.643 -30.221 1.00 0.00 C ATOM 254 C GLU A 18 -2.737 13.150 -29.976 1.00 0.00 C ATOM 255 O GLU A 18 -1.944 13.928 -30.468 1.00 0.00 O ATOM 256 CB GLU A 18 -2.711 10.882 -28.896 1.00 0.00 C ATOM 257 CG GLU A 18 -1.398 11.046 -28.124 1.00 0.00 C ATOM 258 CD GLU A 18 -0.792 9.667 -27.858 1.00 0.00 C ATOM 259 OE1 GLU A 18 -1.178 9.051 -26.878 1.00 0.00 O ATOM 260 OE2 GLU A 18 0.047 9.249 -28.639 1.00 0.00 O ATOM 0 H GLU A 18 -0.689 12.095 -30.984 1.00 0.00 H new ATOM 0 HA GLU A 18 -3.444 11.374 -30.897 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -3.543 11.257 -28.300 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -2.904 9.826 -29.084 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -0.701 11.658 -28.696 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -1.579 11.564 -27.182 1.00 0.00 H new ATOM 267 N ASP A 19 -3.712 13.562 -29.215 1.00 0.00 N ATOM 268 CA ASP A 19 -3.877 15.015 -28.927 1.00 0.00 C ATOM 269 C ASP A 19 -3.978 15.237 -27.416 1.00 0.00 C ATOM 270 O ASP A 19 -3.311 16.083 -26.855 1.00 0.00 O ATOM 271 CB ASP A 19 -5.184 15.407 -29.617 1.00 0.00 C ATOM 272 CG ASP A 19 -5.238 16.927 -29.783 1.00 0.00 C ATOM 273 OD1 ASP A 19 -4.291 17.478 -30.319 1.00 0.00 O ATOM 274 OD2 ASP A 19 -6.225 17.513 -29.371 1.00 0.00 O ATOM 0 H ASP A 19 -4.404 12.953 -28.778 1.00 0.00 H new ATOM 0 HA ASP A 19 -3.036 15.610 -29.283 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -5.253 14.922 -30.590 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -6.035 15.064 -29.029 1.00 0.00 H new ATOM 279 N PHE A 20 -4.806 14.475 -26.752 1.00 0.00 N ATOM 280 CA PHE A 20 -4.949 14.634 -25.276 1.00 0.00 C ATOM 281 C PHE A 20 -3.985 13.690 -24.554 1.00 0.00 C ATOM 282 O PHE A 20 -3.801 12.556 -24.949 1.00 0.00 O ATOM 283 CB PHE A 20 -6.397 14.250 -24.976 1.00 0.00 C ATOM 284 CG PHE A 20 -7.262 15.486 -25.000 1.00 0.00 C ATOM 285 CD1 PHE A 20 -7.126 16.417 -26.037 1.00 0.00 C ATOM 286 CD2 PHE A 20 -8.200 15.699 -23.985 1.00 0.00 C ATOM 287 CE1 PHE A 20 -7.931 17.563 -26.057 1.00 0.00 C ATOM 288 CE2 PHE A 20 -9.005 16.843 -24.005 1.00 0.00 C ATOM 289 CZ PHE A 20 -8.871 17.775 -25.042 1.00 0.00 C ATOM 0 H PHE A 20 -5.389 13.749 -27.168 1.00 0.00 H new ATOM 0 HA PHE A 20 -4.719 15.646 -24.942 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -6.753 13.530 -25.713 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -6.462 13.767 -24.001 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -6.401 16.252 -26.820 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -8.303 14.980 -23.186 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -7.826 18.283 -26.855 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -9.730 17.007 -23.221 1.00 0.00 H new ATOM 0 HZ PHE A 20 -9.493 18.658 -25.058 1.00 0.00 H new ATOM 299 N TYR A 21 -3.360 14.149 -23.504 1.00 0.00 N ATOM 300 CA TYR A 21 -2.401 13.272 -22.773 1.00 0.00 C ATOM 301 C TYR A 21 -2.678 13.281 -21.264 1.00 0.00 C ATOM 302 O TYR A 21 -2.179 12.453 -20.527 1.00 0.00 O ATOM 303 CB TYR A 21 -1.032 13.867 -23.072 1.00 0.00 C ATOM 304 CG TYR A 21 -0.400 13.110 -24.221 1.00 0.00 C ATOM 305 CD1 TYR A 21 -0.495 11.712 -24.281 1.00 0.00 C ATOM 306 CD2 TYR A 21 0.280 13.804 -25.227 1.00 0.00 C ATOM 307 CE1 TYR A 21 0.089 11.012 -25.341 1.00 0.00 C ATOM 308 CE2 TYR A 21 0.865 13.103 -26.289 1.00 0.00 C ATOM 309 CZ TYR A 21 0.770 11.708 -26.346 1.00 0.00 C ATOM 310 OH TYR A 21 1.348 11.018 -27.393 1.00 0.00 O ATOM 0 H TYR A 21 -3.471 15.088 -23.122 1.00 0.00 H new ATOM 0 HA TYR A 21 -2.481 12.231 -23.087 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -1.129 14.923 -23.326 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -0.396 13.808 -22.189 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -1.021 11.174 -23.506 1.00 0.00 H new ATOM 0 HD2 TYR A 21 0.354 14.881 -25.185 1.00 0.00 H new ATOM 0 HE1 TYR A 21 0.015 9.935 -25.384 1.00 0.00 H new ATOM 0 HE2 TYR A 21 1.390 13.640 -27.065 1.00 0.00 H new ATOM 0 HH TYR A 21 1.622 10.128 -27.087 1.00 0.00 H new ATOM 320 N THR A 22 -3.466 14.208 -20.801 1.00 0.00 N ATOM 321 CA THR A 22 -3.778 14.276 -19.343 1.00 0.00 C ATOM 322 C THR A 22 -2.516 14.088 -18.490 1.00 0.00 C ATOM 323 O THR A 22 -1.771 15.018 -18.257 1.00 0.00 O ATOM 324 CB THR A 22 -4.777 13.145 -19.095 1.00 0.00 C ATOM 325 OG1 THR A 22 -4.308 11.956 -19.714 1.00 0.00 O ATOM 326 CG2 THR A 22 -6.138 13.525 -19.680 1.00 0.00 C ATOM 0 H THR A 22 -3.911 14.927 -21.371 1.00 0.00 H new ATOM 0 HA THR A 22 -4.183 15.249 -19.065 1.00 0.00 H new ATOM 0 HB THR A 22 -4.879 12.980 -18.022 1.00 0.00 H new ATOM 0 HG1 THR A 22 -3.331 11.916 -19.647 1.00 0.00 H new ATOM 0 HG21 THR A 22 -6.849 12.718 -19.502 1.00 0.00 H new ATOM 0 HG22 THR A 22 -6.498 14.437 -19.203 1.00 0.00 H new ATOM 0 HG23 THR A 22 -6.039 13.692 -20.753 1.00 0.00 H new ATOM 334 N ASP A 23 -2.283 12.902 -18.000 1.00 0.00 N ATOM 335 CA ASP A 23 -1.085 12.674 -17.142 1.00 0.00 C ATOM 336 C ASP A 23 -0.555 11.251 -17.343 1.00 0.00 C ATOM 337 O ASP A 23 -1.265 10.371 -17.790 1.00 0.00 O ATOM 338 CB ASP A 23 -1.605 12.875 -15.719 1.00 0.00 C ATOM 339 CG ASP A 23 -0.660 12.207 -14.718 1.00 0.00 C ATOM 340 OD1 ASP A 23 -0.747 11.000 -14.566 1.00 0.00 O ATOM 341 OD2 ASP A 23 0.132 12.915 -14.119 1.00 0.00 O ATOM 0 H ASP A 23 -2.869 12.082 -18.156 1.00 0.00 H new ATOM 0 HA ASP A 23 -0.257 13.343 -17.375 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -1.687 13.940 -15.500 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -2.605 12.452 -15.625 1.00 0.00 H new ATOM 346 N GLY A 24 0.690 11.020 -17.028 1.00 0.00 N ATOM 347 CA GLY A 24 1.263 9.657 -17.216 1.00 0.00 C ATOM 348 C GLY A 24 1.449 9.409 -18.711 1.00 0.00 C ATOM 349 O GLY A 24 1.526 8.285 -19.167 1.00 0.00 O ATOM 0 H GLY A 24 1.334 11.714 -16.649 1.00 0.00 H new ATOM 0 HA2 GLY A 24 2.218 9.573 -16.697 1.00 0.00 H new ATOM 0 HA3 GLY A 24 0.600 8.905 -16.787 1.00 0.00 H new ATOM 353 N SER A 25 1.516 10.463 -19.475 1.00 0.00 N ATOM 354 CA SER A 25 1.690 10.321 -20.947 1.00 0.00 C ATOM 355 C SER A 25 3.109 10.709 -21.353 1.00 0.00 C ATOM 356 O SER A 25 3.906 11.135 -20.541 1.00 0.00 O ATOM 357 CB SER A 25 0.693 11.302 -21.548 1.00 0.00 C ATOM 358 OG SER A 25 -0.608 10.729 -21.515 1.00 0.00 O ATOM 0 H SER A 25 1.457 11.425 -19.140 1.00 0.00 H new ATOM 0 HA SER A 25 1.527 9.297 -21.284 1.00 0.00 H new ATOM 0 HB2 SER A 25 0.705 12.238 -20.990 1.00 0.00 H new ATOM 0 HB3 SER A 25 0.972 11.539 -22.574 1.00 0.00 H new ATOM 0 HG SER A 25 -1.158 11.203 -20.857 1.00 0.00 H new ATOM 364 N VAL A 26 3.424 10.574 -22.608 1.00 0.00 N ATOM 365 CA VAL A 26 4.786 10.946 -23.073 1.00 0.00 C ATOM 366 C VAL A 26 4.733 11.387 -24.530 1.00 0.00 C ATOM 367 O VAL A 26 3.868 10.983 -25.282 1.00 0.00 O ATOM 368 CB VAL A 26 5.625 9.675 -22.898 1.00 0.00 C ATOM 369 CG1 VAL A 26 6.965 9.817 -23.624 1.00 0.00 C ATOM 370 CG2 VAL A 26 5.884 9.443 -21.409 1.00 0.00 C ATOM 0 H VAL A 26 2.798 10.222 -23.332 1.00 0.00 H new ATOM 0 HA VAL A 26 5.212 11.779 -22.514 1.00 0.00 H new ATOM 0 HB VAL A 26 5.080 8.831 -23.320 1.00 0.00 H new ATOM 0 HG11 VAL A 26 7.549 8.907 -23.490 1.00 0.00 H new ATOM 0 HG12 VAL A 26 6.787 9.982 -24.687 1.00 0.00 H new ATOM 0 HG13 VAL A 26 7.514 10.664 -23.212 1.00 0.00 H new ATOM 0 HG21 VAL A 26 6.480 8.540 -21.280 1.00 0.00 H new ATOM 0 HG22 VAL A 26 6.423 10.296 -20.996 1.00 0.00 H new ATOM 0 HG23 VAL A 26 4.934 9.328 -20.888 1.00 0.00 H new ATOM 380 N VAL A 27 5.637 12.233 -24.930 1.00 0.00 N ATOM 381 CA VAL A 27 5.613 12.717 -26.337 1.00 0.00 C ATOM 382 C VAL A 27 6.973 12.611 -26.997 1.00 0.00 C ATOM 383 O VAL A 27 7.940 13.202 -26.561 1.00 0.00 O ATOM 384 CB VAL A 27 5.184 14.174 -26.235 1.00 0.00 C ATOM 385 CG1 VAL A 27 5.557 14.932 -27.512 1.00 0.00 C ATOM 386 CG2 VAL A 27 3.684 14.208 -26.055 1.00 0.00 C ATOM 0 H VAL A 27 6.387 12.609 -24.349 1.00 0.00 H new ATOM 0 HA VAL A 27 4.940 12.119 -26.951 1.00 0.00 H new ATOM 0 HB VAL A 27 5.688 14.648 -25.392 1.00 0.00 H new ATOM 0 HG11 VAL A 27 5.243 15.972 -27.423 1.00 0.00 H new ATOM 0 HG12 VAL A 27 6.636 14.890 -27.658 1.00 0.00 H new ATOM 0 HG13 VAL A 27 5.057 14.474 -28.366 1.00 0.00 H new ATOM 0 HG21 VAL A 27 3.350 15.243 -25.979 1.00 0.00 H new ATOM 0 HG22 VAL A 27 3.204 13.734 -26.911 1.00 0.00 H new ATOM 0 HG23 VAL A 27 3.415 13.672 -25.145 1.00 0.00 H new ATOM 396 N THR A 28 7.050 11.897 -28.077 1.00 0.00 N ATOM 397 CA THR A 28 8.344 11.808 -28.775 1.00 0.00 C ATOM 398 C THR A 28 8.569 13.121 -29.509 1.00 0.00 C ATOM 399 O THR A 28 7.980 13.386 -30.538 1.00 0.00 O ATOM 400 CB THR A 28 8.222 10.635 -29.750 1.00 0.00 C ATOM 401 OG1 THR A 28 6.972 9.986 -29.561 1.00 0.00 O ATOM 402 CG2 THR A 28 9.355 9.644 -29.492 1.00 0.00 C ATOM 0 H THR A 28 6.280 11.378 -28.500 1.00 0.00 H new ATOM 0 HA THR A 28 9.187 11.645 -28.103 1.00 0.00 H new ATOM 0 HB THR A 28 8.285 11.004 -30.774 1.00 0.00 H new ATOM 0 HG1 THR A 28 6.895 9.236 -30.187 1.00 0.00 H new ATOM 0 HG21 THR A 28 9.271 8.807 -30.185 1.00 0.00 H new ATOM 0 HG22 THR A 28 10.314 10.141 -29.638 1.00 0.00 H new ATOM 0 HG23 THR A 28 9.290 9.275 -28.468 1.00 0.00 H new ATOM 410 N TYR A 29 9.393 13.961 -28.963 1.00 0.00 N ATOM 411 CA TYR A 29 9.633 15.280 -29.597 1.00 0.00 C ATOM 412 C TYR A 29 10.384 15.115 -30.917 1.00 0.00 C ATOM 413 O TYR A 29 11.143 14.185 -31.104 1.00 0.00 O ATOM 414 CB TYR A 29 10.504 16.035 -28.595 1.00 0.00 C ATOM 415 CG TYR A 29 9.665 16.884 -27.668 1.00 0.00 C ATOM 416 CD1 TYR A 29 8.264 16.877 -27.739 1.00 0.00 C ATOM 417 CD2 TYR A 29 10.308 17.689 -26.726 1.00 0.00 C ATOM 418 CE1 TYR A 29 7.518 17.675 -26.870 1.00 0.00 C ATOM 419 CE2 TYR A 29 9.564 18.487 -25.858 1.00 0.00 C ATOM 420 CZ TYR A 29 8.167 18.484 -25.927 1.00 0.00 C ATOM 421 OH TYR A 29 7.429 19.273 -25.069 1.00 0.00 O ATOM 0 H TYR A 29 9.913 13.791 -28.102 1.00 0.00 H new ATOM 0 HA TYR A 29 8.702 15.800 -29.824 1.00 0.00 H new ATOM 0 HB2 TYR A 29 11.089 15.325 -28.011 1.00 0.00 H new ATOM 0 HB3 TYR A 29 11.212 16.668 -29.130 1.00 0.00 H new ATOM 0 HD1 TYR A 29 7.763 16.255 -28.466 1.00 0.00 H new ATOM 0 HD2 TYR A 29 11.387 17.694 -26.669 1.00 0.00 H new ATOM 0 HE1 TYR A 29 6.439 17.669 -26.924 1.00 0.00 H new ATOM 0 HE2 TYR A 29 10.067 19.108 -25.132 1.00 0.00 H new ATOM 0 HH TYR A 29 8.034 19.769 -24.479 1.00 0.00 H new ATOM 431 N SER A 30 10.184 16.023 -31.830 1.00 0.00 N ATOM 432 CA SER A 30 10.889 15.937 -33.137 1.00 0.00 C ATOM 433 C SER A 30 11.850 17.118 -33.278 1.00 0.00 C ATOM 434 O SER A 30 11.897 17.993 -32.438 1.00 0.00 O ATOM 435 CB SER A 30 9.784 16.012 -34.190 1.00 0.00 C ATOM 436 OG SER A 30 8.723 16.823 -33.701 1.00 0.00 O ATOM 0 H SER A 30 9.560 16.823 -31.726 1.00 0.00 H new ATOM 0 HA SER A 30 11.478 15.026 -33.238 1.00 0.00 H new ATOM 0 HB2 SER A 30 10.177 16.428 -35.118 1.00 0.00 H new ATOM 0 HB3 SER A 30 9.416 15.012 -34.420 1.00 0.00 H new ATOM 0 HG SER A 30 8.013 16.874 -34.375 1.00 0.00 H new ATOM 442 N CYS A 31 12.614 17.153 -34.331 1.00 0.00 N ATOM 443 CA CYS A 31 13.567 18.284 -34.516 1.00 0.00 C ATOM 444 C CYS A 31 13.647 18.662 -35.997 1.00 0.00 C ATOM 445 O CYS A 31 13.401 17.850 -36.867 1.00 0.00 O ATOM 446 CB CYS A 31 14.918 17.757 -34.025 1.00 0.00 C ATOM 447 SG CYS A 31 14.705 16.885 -32.453 1.00 0.00 S ATOM 0 H CYS A 31 12.622 16.451 -35.071 1.00 0.00 H new ATOM 0 HA CYS A 31 13.259 19.176 -33.971 1.00 0.00 H new ATOM 0 HB2 CYS A 31 15.348 17.085 -34.768 1.00 0.00 H new ATOM 0 HB3 CYS A 31 15.617 18.584 -33.900 1.00 0.00 H new ATOM 452 N ASN A 32 13.988 19.885 -36.291 1.00 0.00 N ATOM 453 CA ASN A 32 14.082 20.306 -37.717 1.00 0.00 C ATOM 454 C ASN A 32 14.793 19.226 -38.539 1.00 0.00 C ATOM 455 O ASN A 32 15.529 18.415 -38.012 1.00 0.00 O ATOM 456 CB ASN A 32 14.902 21.595 -37.692 1.00 0.00 C ATOM 457 CG ASN A 32 13.969 22.785 -37.459 1.00 0.00 C ATOM 458 OD1 ASN A 32 13.103 23.059 -38.265 1.00 0.00 O ATOM 459 ND2 ASN A 32 14.111 23.509 -36.382 1.00 0.00 N ATOM 0 H ASN A 32 14.205 20.610 -35.608 1.00 0.00 H new ATOM 0 HA ASN A 32 13.103 20.456 -38.173 1.00 0.00 H new ATOM 0 HB2 ASN A 32 15.652 21.547 -36.903 1.00 0.00 H new ATOM 0 HB3 ASN A 32 15.437 21.717 -38.634 1.00 0.00 H new ATOM 0 HD21 ASN A 32 13.495 24.305 -36.218 1.00 0.00 H new ATOM 0 HD22 ASN A 32 14.838 23.279 -35.705 1.00 0.00 H new ATOM 466 N SER A 33 14.576 19.204 -39.825 1.00 0.00 N ATOM 467 CA SER A 33 15.238 18.173 -40.675 1.00 0.00 C ATOM 468 C SER A 33 16.760 18.301 -40.575 1.00 0.00 C ATOM 469 O SER A 33 17.336 19.292 -40.977 1.00 0.00 O ATOM 470 CB SER A 33 14.771 18.474 -42.099 1.00 0.00 C ATOM 471 OG SER A 33 15.817 18.164 -43.010 1.00 0.00 O ATOM 0 H SER A 33 13.969 19.855 -40.324 1.00 0.00 H new ATOM 0 HA SER A 33 14.983 17.159 -40.366 1.00 0.00 H new ATOM 0 HB2 SER A 33 13.882 17.888 -42.334 1.00 0.00 H new ATOM 0 HB3 SER A 33 14.494 19.524 -42.189 1.00 0.00 H new ATOM 0 HG SER A 33 15.521 18.354 -43.925 1.00 0.00 H new ATOM 477 N GLY A 34 17.417 17.304 -40.046 1.00 0.00 N ATOM 478 CA GLY A 34 18.901 17.371 -39.926 1.00 0.00 C ATOM 479 C GLY A 34 19.291 17.671 -38.478 1.00 0.00 C ATOM 480 O GLY A 34 20.434 17.958 -38.182 1.00 0.00 O ATOM 0 H GLY A 34 16.991 16.448 -39.692 1.00 0.00 H new ATOM 0 HA2 GLY A 34 19.344 16.427 -40.243 1.00 0.00 H new ATOM 0 HA3 GLY A 34 19.294 18.145 -40.586 1.00 0.00 H new ATOM 484 N TYR A 35 18.354 17.610 -37.573 1.00 0.00 N ATOM 485 CA TYR A 35 18.681 17.895 -36.146 1.00 0.00 C ATOM 486 C TYR A 35 18.687 16.600 -35.330 1.00 0.00 C ATOM 487 O TYR A 35 17.847 15.738 -35.502 1.00 0.00 O ATOM 488 CB TYR A 35 17.576 18.833 -35.663 1.00 0.00 C ATOM 489 CG TYR A 35 18.088 20.254 -35.660 1.00 0.00 C ATOM 490 CD1 TYR A 35 18.837 20.731 -36.742 1.00 0.00 C ATOM 491 CD2 TYR A 35 17.812 21.093 -34.574 1.00 0.00 C ATOM 492 CE1 TYR A 35 19.309 22.050 -36.738 1.00 0.00 C ATOM 493 CE2 TYR A 35 18.285 22.410 -34.570 1.00 0.00 C ATOM 494 CZ TYR A 35 19.033 22.889 -35.652 1.00 0.00 C ATOM 495 OH TYR A 35 19.496 24.188 -35.647 1.00 0.00 O ATOM 0 H TYR A 35 17.379 17.376 -37.758 1.00 0.00 H new ATOM 0 HA TYR A 35 19.669 18.341 -36.033 1.00 0.00 H new ATOM 0 HB2 TYR A 35 16.704 18.750 -36.312 1.00 0.00 H new ATOM 0 HB3 TYR A 35 17.255 18.549 -34.661 1.00 0.00 H new ATOM 0 HD1 TYR A 35 19.051 20.083 -37.579 1.00 0.00 H new ATOM 0 HD2 TYR A 35 17.234 20.724 -33.739 1.00 0.00 H new ATOM 0 HE1 TYR A 35 19.886 22.420 -37.573 1.00 0.00 H new ATOM 0 HE2 TYR A 35 18.073 23.057 -33.732 1.00 0.00 H new ATOM 0 HH TYR A 35 19.215 24.632 -34.820 1.00 0.00 H new ATOM 505 N SER A 36 19.634 16.459 -34.445 1.00 0.00 N ATOM 506 CA SER A 36 19.714 15.226 -33.613 1.00 0.00 C ATOM 507 C SER A 36 18.894 15.384 -32.333 1.00 0.00 C ATOM 508 O SER A 36 19.180 16.223 -31.502 1.00 0.00 O ATOM 509 CB SER A 36 21.194 15.082 -33.272 1.00 0.00 C ATOM 510 OG SER A 36 21.933 14.862 -34.466 1.00 0.00 O ATOM 0 H SER A 36 20.361 17.150 -34.261 1.00 0.00 H new ATOM 0 HA SER A 36 19.319 14.355 -34.136 1.00 0.00 H new ATOM 0 HB2 SER A 36 21.552 15.981 -32.770 1.00 0.00 H new ATOM 0 HB3 SER A 36 21.341 14.251 -32.582 1.00 0.00 H new ATOM 0 HG SER A 36 21.912 13.909 -34.693 1.00 0.00 H new ATOM 516 N LEU A 37 17.886 14.576 -32.157 1.00 0.00 N ATOM 517 CA LEU A 37 17.067 14.679 -30.918 1.00 0.00 C ATOM 518 C LEU A 37 17.790 13.983 -29.766 1.00 0.00 C ATOM 519 O LEU A 37 18.049 12.797 -29.812 1.00 0.00 O ATOM 520 CB LEU A 37 15.757 13.957 -31.230 1.00 0.00 C ATOM 521 CG LEU A 37 14.893 13.915 -29.968 1.00 0.00 C ATOM 522 CD1 LEU A 37 13.901 15.079 -29.984 1.00 0.00 C ATOM 523 CD2 LEU A 37 14.125 12.594 -29.919 1.00 0.00 C ATOM 0 H LEU A 37 17.595 13.852 -32.814 1.00 0.00 H new ATOM 0 HA LEU A 37 16.895 15.715 -30.625 1.00 0.00 H new ATOM 0 HB2 LEU A 37 15.226 14.471 -32.031 1.00 0.00 H new ATOM 0 HB3 LEU A 37 15.960 12.945 -31.580 1.00 0.00 H new ATOM 0 HG LEU A 37 15.534 13.998 -29.090 1.00 0.00 H new ATOM 0 HD11 LEU A 37 13.287 15.046 -29.084 1.00 0.00 H new ATOM 0 HD12 LEU A 37 14.447 16.022 -30.017 1.00 0.00 H new ATOM 0 HD13 LEU A 37 13.261 15.000 -30.863 1.00 0.00 H new ATOM 0 HD21 LEU A 37 13.510 12.564 -29.020 1.00 0.00 H new ATOM 0 HD22 LEU A 37 13.487 12.511 -30.799 1.00 0.00 H new ATOM 0 HD23 LEU A 37 14.831 11.763 -29.903 1.00 0.00 H new ATOM 535 N ILE A 38 18.111 14.702 -28.730 1.00 0.00 N ATOM 536 CA ILE A 38 18.808 14.062 -27.578 1.00 0.00 C ATOM 537 C ILE A 38 17.869 14.040 -26.374 1.00 0.00 C ATOM 538 O ILE A 38 16.814 14.640 -26.390 1.00 0.00 O ATOM 539 CB ILE A 38 20.058 14.911 -27.270 1.00 0.00 C ATOM 540 CG1 ILE A 38 20.393 15.864 -28.429 1.00 0.00 C ATOM 541 CG2 ILE A 38 21.244 13.979 -27.055 1.00 0.00 C ATOM 542 CD1 ILE A 38 20.831 15.053 -29.653 1.00 0.00 C ATOM 0 H ILE A 38 17.923 15.699 -28.629 1.00 0.00 H new ATOM 0 HA ILE A 38 19.097 13.036 -27.807 1.00 0.00 H new ATOM 0 HB ILE A 38 19.854 15.506 -26.379 1.00 0.00 H new ATOM 0 HG12 ILE A 38 19.523 16.472 -28.676 1.00 0.00 H new ATOM 0 HG13 ILE A 38 21.187 16.549 -28.132 1.00 0.00 H new ATOM 0 HG21 ILE A 38 22.135 14.568 -26.836 1.00 0.00 H new ATOM 0 HG22 ILE A 38 21.036 13.312 -26.218 1.00 0.00 H new ATOM 0 HG23 ILE A 38 21.411 13.389 -27.956 1.00 0.00 H new ATOM 0 HD11 ILE A 38 21.068 15.731 -30.473 1.00 0.00 H new ATOM 0 HD12 ILE A 38 21.713 14.464 -29.403 1.00 0.00 H new ATOM 0 HD13 ILE A 38 20.024 14.386 -29.955 1.00 0.00 H new ATOM 554 N GLY A 39 18.234 13.351 -25.332 1.00 0.00 N ATOM 555 CA GLY A 39 17.346 13.299 -24.138 1.00 0.00 C ATOM 556 C GLY A 39 16.376 12.126 -24.278 1.00 0.00 C ATOM 557 O GLY A 39 16.429 11.374 -25.232 1.00 0.00 O ATOM 0 H GLY A 39 19.104 12.824 -25.254 1.00 0.00 H new ATOM 0 HA2 GLY A 39 17.942 13.186 -23.232 1.00 0.00 H new ATOM 0 HA3 GLY A 39 16.793 14.233 -24.041 1.00 0.00 H new ATOM 561 N ASN A 40 15.489 11.961 -23.336 1.00 0.00 N ATOM 562 CA ASN A 40 14.517 10.835 -23.422 1.00 0.00 C ATOM 563 C ASN A 40 13.713 10.933 -24.719 1.00 0.00 C ATOM 564 O ASN A 40 13.359 12.008 -25.162 1.00 0.00 O ATOM 565 CB ASN A 40 13.602 10.999 -22.208 1.00 0.00 C ATOM 566 CG ASN A 40 12.950 12.383 -22.240 1.00 0.00 C ATOM 567 OD1 ASN A 40 11.963 12.587 -22.918 1.00 0.00 O ATOM 568 ND2 ASN A 40 13.465 13.349 -21.530 1.00 0.00 N ATOM 0 H ASN A 40 15.395 12.555 -22.512 1.00 0.00 H new ATOM 0 HA ASN A 40 15.011 9.864 -23.426 1.00 0.00 H new ATOM 0 HB2 ASN A 40 12.835 10.224 -22.211 1.00 0.00 H new ATOM 0 HB3 ASN A 40 14.175 10.877 -21.289 1.00 0.00 H new ATOM 0 HD21 ASN A 40 13.039 14.276 -21.544 1.00 0.00 H new ATOM 0 HD22 ASN A 40 14.294 13.178 -20.961 1.00 0.00 H new ATOM 575 N SER A 41 13.424 9.820 -25.333 1.00 0.00 N ATOM 576 CA SER A 41 12.644 9.850 -26.602 1.00 0.00 C ATOM 577 C SER A 41 11.145 9.875 -26.297 1.00 0.00 C ATOM 578 O SER A 41 10.398 9.023 -26.735 1.00 0.00 O ATOM 579 CB SER A 41 13.022 8.561 -27.330 1.00 0.00 C ATOM 580 OG SER A 41 12.856 7.457 -26.448 1.00 0.00 O ATOM 0 H SER A 41 13.694 8.891 -25.011 1.00 0.00 H new ATOM 0 HA SER A 41 12.862 10.734 -27.201 1.00 0.00 H new ATOM 0 HB2 SER A 41 12.397 8.432 -28.214 1.00 0.00 H new ATOM 0 HB3 SER A 41 14.055 8.614 -27.675 1.00 0.00 H new ATOM 0 HG SER A 41 13.096 6.628 -26.913 1.00 0.00 H new ATOM 586 N GLY A 42 10.700 10.845 -25.547 1.00 0.00 N ATOM 587 CA GLY A 42 9.250 10.921 -25.214 1.00 0.00 C ATOM 588 C GLY A 42 9.053 11.778 -23.963 1.00 0.00 C ATOM 589 O GLY A 42 9.344 11.354 -22.861 1.00 0.00 O ATOM 0 H GLY A 42 11.277 11.587 -25.151 1.00 0.00 H new ATOM 0 HA2 GLY A 42 8.697 11.349 -26.050 1.00 0.00 H new ATOM 0 HA3 GLY A 42 8.852 9.920 -25.047 1.00 0.00 H new ATOM 593 N VAL A 43 8.550 12.977 -24.113 1.00 0.00 N ATOM 594 CA VAL A 43 8.334 13.831 -22.904 1.00 0.00 C ATOM 595 C VAL A 43 7.496 13.048 -21.901 1.00 0.00 C ATOM 596 O VAL A 43 7.172 11.902 -22.127 1.00 0.00 O ATOM 597 CB VAL A 43 7.551 15.069 -23.343 1.00 0.00 C ATOM 598 CG1 VAL A 43 7.860 16.216 -22.381 1.00 0.00 C ATOM 599 CG2 VAL A 43 7.949 15.495 -24.749 1.00 0.00 C ATOM 0 H VAL A 43 8.283 13.397 -25.003 1.00 0.00 H new ATOM 0 HA VAL A 43 9.284 14.116 -22.452 1.00 0.00 H new ATOM 0 HB VAL A 43 6.488 14.829 -23.335 1.00 0.00 H new ATOM 0 HG11 VAL A 43 7.307 17.105 -22.685 1.00 0.00 H new ATOM 0 HG12 VAL A 43 7.565 15.933 -21.371 1.00 0.00 H new ATOM 0 HG13 VAL A 43 8.929 16.430 -22.401 1.00 0.00 H new ATOM 0 HG21 VAL A 43 7.378 16.377 -25.037 1.00 0.00 H new ATOM 0 HG22 VAL A 43 9.013 15.729 -24.771 1.00 0.00 H new ATOM 0 HG23 VAL A 43 7.741 14.684 -25.447 1.00 0.00 H new ATOM 609 N LEU A 44 7.120 13.658 -20.811 1.00 0.00 N ATOM 610 CA LEU A 44 6.277 12.938 -19.817 1.00 0.00 C ATOM 611 C LEU A 44 5.287 13.905 -19.165 1.00 0.00 C ATOM 612 O LEU A 44 5.622 14.628 -18.248 1.00 0.00 O ATOM 613 CB LEU A 44 7.250 12.386 -18.773 1.00 0.00 C ATOM 614 CG LEU A 44 6.458 11.827 -17.584 1.00 0.00 C ATOM 615 CD1 LEU A 44 6.167 10.343 -17.808 1.00 0.00 C ATOM 616 CD2 LEU A 44 7.273 12.000 -16.301 1.00 0.00 C ATOM 0 H LEU A 44 7.359 14.619 -20.567 1.00 0.00 H new ATOM 0 HA LEU A 44 5.693 12.143 -20.281 1.00 0.00 H new ATOM 0 HB2 LEU A 44 7.867 11.603 -19.213 1.00 0.00 H new ATOM 0 HB3 LEU A 44 7.925 13.173 -18.437 1.00 0.00 H new ATOM 0 HG LEU A 44 5.516 12.368 -17.493 1.00 0.00 H new ATOM 0 HD11 LEU A 44 5.604 9.951 -16.961 1.00 0.00 H new ATOM 0 HD12 LEU A 44 5.583 10.220 -18.720 1.00 0.00 H new ATOM 0 HD13 LEU A 44 7.106 9.798 -17.903 1.00 0.00 H new ATOM 0 HD21 LEU A 44 6.710 11.603 -15.456 1.00 0.00 H new ATOM 0 HD22 LEU A 44 8.216 11.462 -16.394 1.00 0.00 H new ATOM 0 HD23 LEU A 44 7.474 13.059 -16.138 1.00 0.00 H new ATOM 628 N CYS A 45 4.066 13.917 -19.621 1.00 0.00 N ATOM 629 CA CYS A 45 3.061 14.830 -19.010 1.00 0.00 C ATOM 630 C CYS A 45 2.475 14.187 -17.758 1.00 0.00 C ATOM 631 O CYS A 45 1.869 13.135 -17.815 1.00 0.00 O ATOM 632 CB CYS A 45 1.977 15.004 -20.067 1.00 0.00 C ATOM 633 SG CYS A 45 1.235 16.643 -19.889 1.00 0.00 S ATOM 0 H CYS A 45 3.722 13.337 -20.386 1.00 0.00 H new ATOM 0 HA CYS A 45 3.497 15.785 -18.717 1.00 0.00 H new ATOM 0 HB2 CYS A 45 2.402 14.890 -21.064 1.00 0.00 H new ATOM 0 HB3 CYS A 45 1.215 14.232 -19.955 1.00 0.00 H new ATOM 638 N SER A 46 2.651 14.802 -16.625 1.00 0.00 N ATOM 639 CA SER A 46 2.100 14.209 -15.376 1.00 0.00 C ATOM 640 C SER A 46 1.176 15.206 -14.672 1.00 0.00 C ATOM 641 O SER A 46 1.493 15.725 -13.620 1.00 0.00 O ATOM 642 CB SER A 46 3.321 13.902 -14.509 1.00 0.00 C ATOM 643 OG SER A 46 4.376 14.793 -14.849 1.00 0.00 O ATOM 0 H SER A 46 3.149 15.684 -16.508 1.00 0.00 H new ATOM 0 HA SER A 46 1.506 13.317 -15.573 1.00 0.00 H new ATOM 0 HB2 SER A 46 3.068 14.006 -13.454 1.00 0.00 H new ATOM 0 HB3 SER A 46 3.638 12.870 -14.660 1.00 0.00 H new ATOM 0 HG SER A 46 5.160 14.599 -14.293 1.00 0.00 H new ATOM 649 N GLY A 47 0.034 15.473 -15.241 1.00 0.00 N ATOM 650 CA GLY A 47 -0.910 16.432 -14.600 1.00 0.00 C ATOM 651 C GLY A 47 -0.818 17.792 -15.295 1.00 0.00 C ATOM 652 O GLY A 47 -0.666 18.815 -14.658 1.00 0.00 O ATOM 0 H GLY A 47 -0.287 15.070 -16.121 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -1.929 16.050 -14.662 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -0.673 16.537 -13.541 1.00 0.00 H new ATOM 656 N GLY A 48 -0.910 17.811 -16.597 1.00 0.00 N ATOM 657 CA GLY A 48 -0.830 19.107 -17.331 1.00 0.00 C ATOM 658 C GLY A 48 0.527 19.761 -17.069 1.00 0.00 C ATOM 659 O GLY A 48 0.701 20.949 -17.254 1.00 0.00 O ATOM 0 H GLY A 48 -1.037 16.986 -17.184 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -0.965 18.940 -18.400 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -1.633 19.770 -17.008 1.00 0.00 H new ATOM 663 N GLU A 49 1.492 18.995 -16.639 1.00 0.00 N ATOM 664 CA GLU A 49 2.838 19.577 -16.367 1.00 0.00 C ATOM 665 C GLU A 49 3.911 18.806 -17.138 1.00 0.00 C ATOM 666 O GLU A 49 4.701 18.079 -16.569 1.00 0.00 O ATOM 667 CB GLU A 49 3.041 19.421 -14.859 1.00 0.00 C ATOM 668 CG GLU A 49 2.456 20.636 -14.137 1.00 0.00 C ATOM 669 CD GLU A 49 2.859 20.597 -12.662 1.00 0.00 C ATOM 670 OE1 GLU A 49 3.986 20.959 -12.367 1.00 0.00 O ATOM 671 OE2 GLU A 49 2.034 20.203 -11.854 1.00 0.00 O ATOM 0 H GLU A 49 1.408 17.994 -16.464 1.00 0.00 H new ATOM 0 HA GLU A 49 2.909 20.619 -16.680 1.00 0.00 H new ATOM 0 HB2 GLU A 49 2.558 18.509 -14.509 1.00 0.00 H new ATOM 0 HB3 GLU A 49 4.103 19.326 -14.632 1.00 0.00 H new ATOM 0 HG2 GLU A 49 2.816 21.555 -14.599 1.00 0.00 H new ATOM 0 HG3 GLU A 49 1.370 20.638 -14.228 1.00 0.00 H new ATOM 678 N TRP A 50 3.944 18.962 -18.433 1.00 0.00 N ATOM 679 CA TRP A 50 4.964 18.241 -19.247 1.00 0.00 C ATOM 680 C TRP A 50 6.344 18.367 -18.595 1.00 0.00 C ATOM 681 O TRP A 50 6.751 19.436 -18.185 1.00 0.00 O ATOM 682 CB TRP A 50 4.942 18.939 -20.608 1.00 0.00 C ATOM 683 CG TRP A 50 3.746 18.477 -21.376 1.00 0.00 C ATOM 684 CD1 TRP A 50 2.623 19.205 -21.587 1.00 0.00 C ATOM 685 CD2 TRP A 50 3.532 17.196 -22.032 1.00 0.00 C ATOM 686 NE1 TRP A 50 1.735 18.449 -22.328 1.00 0.00 N ATOM 687 CE2 TRP A 50 2.249 17.203 -22.627 1.00 0.00 C ATOM 688 CE3 TRP A 50 4.320 16.039 -22.165 1.00 0.00 C ATOM 689 CZ2 TRP A 50 1.762 16.102 -23.328 1.00 0.00 C ATOM 690 CZ3 TRP A 50 3.838 14.928 -22.872 1.00 0.00 C ATOM 691 CH2 TRP A 50 2.562 14.957 -23.450 1.00 0.00 C ATOM 0 H TRP A 50 3.308 19.558 -18.963 1.00 0.00 H new ATOM 0 HA TRP A 50 4.753 17.175 -19.333 1.00 0.00 H new ATOM 0 HB2 TRP A 50 4.909 20.020 -20.475 1.00 0.00 H new ATOM 0 HB3 TRP A 50 5.854 18.714 -21.161 1.00 0.00 H new ATOM 0 HD1 TRP A 50 2.450 20.211 -21.234 1.00 0.00 H new ATOM 0 HE1 TRP A 50 0.812 18.772 -22.619 1.00 0.00 H new ATOM 0 HE3 TRP A 50 5.303 16.006 -21.720 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 0.778 16.130 -23.773 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 4.453 14.046 -22.971 1.00 0.00 H new ATOM 0 HH2 TRP A 50 2.194 14.097 -23.990 1.00 0.00 H new ATOM 702 N SER A 51 7.066 17.284 -18.491 1.00 0.00 N ATOM 703 CA SER A 51 8.413 17.354 -17.858 1.00 0.00 C ATOM 704 C SER A 51 9.392 16.401 -18.553 1.00 0.00 C ATOM 705 O SER A 51 9.000 15.473 -19.235 1.00 0.00 O ATOM 706 CB SER A 51 8.188 16.923 -16.409 1.00 0.00 C ATOM 707 OG SER A 51 8.420 15.524 -16.292 1.00 0.00 O ATOM 0 H SER A 51 6.783 16.359 -18.815 1.00 0.00 H new ATOM 0 HA SER A 51 8.846 18.352 -17.931 1.00 0.00 H new ATOM 0 HB2 SER A 51 8.858 17.471 -15.747 1.00 0.00 H new ATOM 0 HB3 SER A 51 7.170 17.161 -16.101 1.00 0.00 H new ATOM 0 HG SER A 51 8.278 15.245 -15.363 1.00 0.00 H new ATOM 713 N ASP A 52 10.665 16.627 -18.370 1.00 0.00 N ATOM 714 CA ASP A 52 11.697 15.748 -18.996 1.00 0.00 C ATOM 715 C ASP A 52 11.601 15.783 -20.523 1.00 0.00 C ATOM 716 O ASP A 52 11.303 14.789 -21.156 1.00 0.00 O ATOM 717 CB ASP A 52 11.402 14.344 -18.464 1.00 0.00 C ATOM 718 CG ASP A 52 12.640 13.795 -17.753 1.00 0.00 C ATOM 719 OD1 ASP A 52 13.736 14.140 -18.162 1.00 0.00 O ATOM 720 OD2 ASP A 52 12.471 13.037 -16.812 1.00 0.00 O ATOM 0 H ASP A 52 11.039 17.391 -17.807 1.00 0.00 H new ATOM 0 HA ASP A 52 12.707 16.075 -18.750 1.00 0.00 H new ATOM 0 HB2 ASP A 52 10.558 14.375 -17.775 1.00 0.00 H new ATOM 0 HB3 ASP A 52 11.119 13.685 -19.285 1.00 0.00 H new ATOM 725 N PRO A 53 11.874 16.937 -21.055 1.00 0.00 N ATOM 726 CA PRO A 53 11.844 17.147 -22.514 1.00 0.00 C ATOM 727 C PRO A 53 13.237 16.914 -23.115 1.00 0.00 C ATOM 728 O PRO A 53 14.224 17.394 -22.593 1.00 0.00 O ATOM 729 CB PRO A 53 11.463 18.617 -22.632 1.00 0.00 C ATOM 730 CG PRO A 53 11.916 19.259 -21.345 1.00 0.00 C ATOM 731 CD PRO A 53 12.223 18.160 -20.348 1.00 0.00 C ATOM 0 HA PRO A 53 11.164 16.474 -23.036 1.00 0.00 H new ATOM 0 HB2 PRO A 53 11.947 19.079 -23.492 1.00 0.00 H new ATOM 0 HB3 PRO A 53 10.388 18.733 -22.771 1.00 0.00 H new ATOM 0 HG2 PRO A 53 12.800 19.873 -21.517 1.00 0.00 H new ATOM 0 HG3 PRO A 53 11.140 19.919 -20.956 1.00 0.00 H new ATOM 0 HD2 PRO A 53 13.273 18.167 -20.057 1.00 0.00 H new ATOM 0 HD3 PRO A 53 11.638 18.274 -19.435 1.00 0.00 H new ATOM 739 N PRO A 54 13.268 16.195 -24.204 1.00 0.00 N ATOM 740 CA PRO A 54 14.550 15.911 -24.891 1.00 0.00 C ATOM 741 C PRO A 54 15.009 17.145 -25.669 1.00 0.00 C ATOM 742 O PRO A 54 14.405 18.196 -25.597 1.00 0.00 O ATOM 743 CB PRO A 54 14.209 14.760 -25.829 1.00 0.00 C ATOM 744 CG PRO A 54 12.738 14.877 -26.077 1.00 0.00 C ATOM 745 CD PRO A 54 12.127 15.583 -24.888 1.00 0.00 C ATOM 0 HA PRO A 54 15.363 15.660 -24.210 1.00 0.00 H new ATOM 0 HB2 PRO A 54 14.772 14.831 -26.760 1.00 0.00 H new ATOM 0 HB3 PRO A 54 14.457 13.799 -25.379 1.00 0.00 H new ATOM 0 HG2 PRO A 54 12.548 15.436 -26.993 1.00 0.00 H new ATOM 0 HG3 PRO A 54 12.292 13.891 -26.207 1.00 0.00 H new ATOM 0 HD2 PRO A 54 11.402 16.334 -25.201 1.00 0.00 H new ATOM 0 HD3 PRO A 54 11.602 14.884 -24.237 1.00 0.00 H new ATOM 753 N THR A 55 16.085 17.033 -26.392 1.00 0.00 N ATOM 754 CA THR A 55 16.594 18.216 -27.152 1.00 0.00 C ATOM 755 C THR A 55 16.548 17.992 -28.661 1.00 0.00 C ATOM 756 O THR A 55 16.133 16.962 -29.151 1.00 0.00 O ATOM 757 CB THR A 55 18.052 18.364 -26.719 1.00 0.00 C ATOM 758 OG1 THR A 55 18.677 17.093 -26.755 1.00 0.00 O ATOM 759 CG2 THR A 55 18.118 18.923 -25.302 1.00 0.00 C ATOM 0 H THR A 55 16.635 16.180 -26.493 1.00 0.00 H new ATOM 0 HA THR A 55 15.984 19.095 -26.946 1.00 0.00 H new ATOM 0 HB THR A 55 18.564 19.048 -27.396 1.00 0.00 H new ATOM 0 HG1 THR A 55 18.482 16.609 -25.926 1.00 0.00 H new ATOM 0 HG21 THR A 55 19.160 19.026 -25.000 1.00 0.00 H new ATOM 0 HG22 THR A 55 17.634 19.899 -25.273 1.00 0.00 H new ATOM 0 HG23 THR A 55 17.607 18.244 -24.619 1.00 0.00 H new ATOM 767 N CYS A 56 17.013 18.969 -29.386 1.00 0.00 N ATOM 768 CA CYS A 56 17.065 18.881 -30.869 1.00 0.00 C ATOM 769 C CYS A 56 18.271 19.677 -31.336 1.00 0.00 C ATOM 770 O CYS A 56 18.159 20.780 -31.833 1.00 0.00 O ATOM 771 CB CYS A 56 15.762 19.507 -31.369 1.00 0.00 C ATOM 772 SG CYS A 56 14.393 18.353 -31.102 1.00 0.00 S ATOM 0 H CYS A 56 17.367 19.845 -29.002 1.00 0.00 H new ATOM 0 HA CYS A 56 17.160 17.861 -31.242 1.00 0.00 H new ATOM 0 HB2 CYS A 56 15.571 20.442 -30.843 1.00 0.00 H new ATOM 0 HB3 CYS A 56 15.846 19.749 -32.429 1.00 0.00 H new ATOM 777 N GLN A 57 19.429 19.125 -31.144 1.00 0.00 N ATOM 778 CA GLN A 57 20.669 19.840 -31.535 1.00 0.00 C ATOM 779 C GLN A 57 21.359 19.120 -32.691 1.00 0.00 C ATOM 780 O GLN A 57 20.793 18.252 -33.321 1.00 0.00 O ATOM 781 CB GLN A 57 21.580 19.841 -30.294 1.00 0.00 C ATOM 782 CG GLN A 57 20.998 18.990 -29.156 1.00 0.00 C ATOM 783 CD GLN A 57 21.966 18.991 -27.971 1.00 0.00 C ATOM 784 OE1 GLN A 57 21.622 19.426 -26.891 1.00 0.00 O ATOM 785 NE2 GLN A 57 23.172 18.517 -28.130 1.00 0.00 N ATOM 0 H GLN A 57 19.572 18.204 -30.731 1.00 0.00 H new ATOM 0 HA GLN A 57 20.448 20.854 -31.868 1.00 0.00 H new ATOM 0 HB2 GLN A 57 22.564 19.460 -30.566 1.00 0.00 H new ATOM 0 HB3 GLN A 57 21.720 20.865 -29.947 1.00 0.00 H new ATOM 0 HG2 GLN A 57 20.030 19.387 -28.849 1.00 0.00 H new ATOM 0 HG3 GLN A 57 20.829 17.970 -29.500 1.00 0.00 H new ATOM 0 HE21 GLN A 57 23.461 18.152 -29.037 1.00 0.00 H new ATOM 0 HE22 GLN A 57 23.825 18.512 -27.347 1.00 0.00 H new ATOM 794 N ILE A 58 22.581 19.476 -32.974 1.00 0.00 N ATOM 795 CA ILE A 58 23.312 18.811 -34.092 1.00 0.00 C ATOM 796 C ILE A 58 24.506 18.038 -33.529 1.00 0.00 C ATOM 797 O ILE A 58 25.504 18.612 -33.139 1.00 0.00 O ATOM 798 CB ILE A 58 23.789 19.932 -35.031 1.00 0.00 C ATOM 799 CG1 ILE A 58 22.983 21.218 -34.804 1.00 0.00 C ATOM 800 CG2 ILE A 58 23.596 19.480 -36.477 1.00 0.00 C ATOM 801 CD1 ILE A 58 23.666 22.066 -33.731 1.00 0.00 C ATOM 0 H ILE A 58 23.106 20.198 -32.481 1.00 0.00 H new ATOM 0 HA ILE A 58 22.678 18.104 -34.627 1.00 0.00 H new ATOM 0 HB ILE A 58 24.840 20.136 -34.825 1.00 0.00 H new ATOM 0 HG12 ILE A 58 22.908 21.781 -35.734 1.00 0.00 H new ATOM 0 HG13 ILE A 58 21.966 20.973 -34.496 1.00 0.00 H new ATOM 0 HG21 ILE A 58 23.931 20.267 -37.152 1.00 0.00 H new ATOM 0 HG22 ILE A 58 24.178 18.576 -36.656 1.00 0.00 H new ATOM 0 HG23 ILE A 58 22.541 19.273 -36.656 1.00 0.00 H new ATOM 0 HD11 ILE A 58 23.093 22.979 -33.570 1.00 0.00 H new ATOM 0 HD12 ILE A 58 23.718 21.502 -32.800 1.00 0.00 H new ATOM 0 HD13 ILE A 58 24.674 22.322 -34.057 1.00 0.00 H new ATOM 813 N VAL A 59 24.403 16.740 -33.469 1.00 0.00 N ATOM 814 CA VAL A 59 25.521 15.926 -32.912 1.00 0.00 C ATOM 815 C VAL A 59 26.430 15.397 -34.008 1.00 0.00 C ATOM 816 O VAL A 59 26.508 14.204 -34.222 1.00 0.00 O ATOM 817 CB VAL A 59 24.855 14.734 -32.264 1.00 0.00 C ATOM 818 CG1 VAL A 59 23.893 15.175 -31.162 1.00 0.00 C ATOM 819 CG2 VAL A 59 24.098 13.987 -33.350 1.00 0.00 C ATOM 0 H VAL A 59 23.592 16.206 -33.782 1.00 0.00 H new ATOM 0 HA VAL A 59 26.124 16.528 -32.233 1.00 0.00 H new ATOM 0 HB VAL A 59 25.606 14.093 -31.803 1.00 0.00 H new ATOM 0 HG11 VAL A 59 23.428 14.298 -30.713 1.00 0.00 H new ATOM 0 HG12 VAL A 59 24.442 15.726 -30.398 1.00 0.00 H new ATOM 0 HG13 VAL A 59 23.122 15.817 -31.588 1.00 0.00 H new ATOM 0 HG21 VAL A 59 23.603 13.118 -32.917 1.00 0.00 H new ATOM 0 HG22 VAL A 59 23.351 14.646 -33.792 1.00 0.00 H new ATOM 0 HG23 VAL A 59 24.796 13.660 -34.121 1.00 0.00 H new ATOM 829 N LYS A 60 27.142 16.230 -34.686 1.00 0.00 N ATOM 830 CA LYS A 60 28.045 15.675 -35.724 1.00 0.00 C ATOM 831 C LYS A 60 29.153 14.920 -35.005 1.00 0.00 C ATOM 832 O LYS A 60 29.201 14.911 -33.796 1.00 0.00 O ATOM 833 CB LYS A 60 28.591 16.873 -36.502 1.00 0.00 C ATOM 834 CG LYS A 60 27.846 17.005 -37.831 1.00 0.00 C ATOM 835 CD LYS A 60 26.788 18.106 -37.720 1.00 0.00 C ATOM 836 CE LYS A 60 26.769 18.929 -39.010 1.00 0.00 C ATOM 837 NZ LYS A 60 26.273 17.990 -40.056 1.00 0.00 N ATOM 0 H LYS A 60 27.146 17.244 -34.578 1.00 0.00 H new ATOM 0 HA LYS A 60 27.551 14.989 -36.412 1.00 0.00 H new ATOM 0 HB2 LYS A 60 28.473 17.784 -35.916 1.00 0.00 H new ATOM 0 HB3 LYS A 60 29.658 16.746 -36.683 1.00 0.00 H new ATOM 0 HG2 LYS A 60 28.548 17.241 -38.631 1.00 0.00 H new ATOM 0 HG3 LYS A 60 27.374 16.058 -38.090 1.00 0.00 H new ATOM 0 HD2 LYS A 60 25.807 17.665 -37.543 1.00 0.00 H new ATOM 0 HD3 LYS A 60 27.007 18.750 -36.868 1.00 0.00 H new ATOM 0 HE2 LYS A 60 26.116 19.796 -38.916 1.00 0.00 H new ATOM 0 HE3 LYS A 60 27.763 19.304 -39.254 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 25.943 18.531 -40.880 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 27.043 17.354 -40.345 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 25.486 17.428 -39.673 1.00 0.00 H new ATOM 851 N CYS A 61 30.019 14.255 -35.707 1.00 0.00 N ATOM 852 CA CYS A 61 31.071 13.480 -34.988 1.00 0.00 C ATOM 853 C CYS A 61 32.476 13.698 -35.543 1.00 0.00 C ATOM 854 O CYS A 61 32.659 14.143 -36.658 1.00 0.00 O ATOM 855 CB CYS A 61 30.660 12.033 -35.179 1.00 0.00 C ATOM 856 SG CYS A 61 30.157 11.357 -33.588 1.00 0.00 S ATOM 0 H CYS A 61 30.050 14.211 -36.726 1.00 0.00 H new ATOM 0 HA CYS A 61 31.131 13.793 -33.946 1.00 0.00 H new ATOM 0 HB2 CYS A 61 29.840 11.965 -35.894 1.00 0.00 H new ATOM 0 HB3 CYS A 61 31.489 11.456 -35.589 1.00 0.00 H new ATOM 861 N PRO A 62 33.426 13.340 -34.715 1.00 0.00 N ATOM 862 CA PRO A 62 34.853 13.450 -35.075 1.00 0.00 C ATOM 863 C PRO A 62 35.272 12.253 -35.930 1.00 0.00 C ATOM 864 O PRO A 62 35.320 12.326 -37.141 1.00 0.00 O ATOM 865 CB PRO A 62 35.566 13.421 -33.726 1.00 0.00 C ATOM 866 CG PRO A 62 34.635 12.711 -32.790 1.00 0.00 C ATOM 867 CD PRO A 62 33.241 12.805 -33.360 1.00 0.00 C ATOM 0 HA PRO A 62 35.083 14.344 -35.655 1.00 0.00 H new ATOM 0 HB2 PRO A 62 36.521 12.900 -33.799 1.00 0.00 H new ATOM 0 HB3 PRO A 62 35.780 14.430 -33.375 1.00 0.00 H new ATOM 0 HG2 PRO A 62 34.931 11.668 -32.676 1.00 0.00 H new ATOM 0 HG3 PRO A 62 34.673 13.163 -31.799 1.00 0.00 H new ATOM 0 HD2 PRO A 62 32.756 11.829 -33.383 1.00 0.00 H new ATOM 0 HD3 PRO A 62 32.611 13.460 -32.758 1.00 0.00 H new ATOM 875 N HIS A 63 35.582 11.151 -35.301 1.00 0.00 N ATOM 876 CA HIS A 63 36.006 9.943 -36.065 1.00 0.00 C ATOM 877 C HIS A 63 36.578 8.894 -35.120 1.00 0.00 C ATOM 878 O HIS A 63 37.419 9.198 -34.297 1.00 0.00 O ATOM 879 CB HIS A 63 37.108 10.430 -36.994 1.00 0.00 C ATOM 880 CG HIS A 63 36.708 10.192 -38.421 1.00 0.00 C ATOM 881 ND1 HIS A 63 37.529 9.527 -39.318 1.00 0.00 N ATOM 882 CD2 HIS A 63 35.577 10.520 -39.119 1.00 0.00 C ATOM 883 CE1 HIS A 63 36.882 9.476 -40.497 1.00 0.00 C ATOM 884 NE2 HIS A 63 35.686 10.068 -40.430 1.00 0.00 N ATOM 0 H HIS A 63 35.560 11.036 -34.288 1.00 0.00 H new ATOM 0 HA HIS A 63 35.171 9.491 -36.600 1.00 0.00 H new ATOM 0 HB2 HIS A 63 37.292 11.492 -36.830 1.00 0.00 H new ATOM 0 HB3 HIS A 63 38.039 9.907 -36.775 1.00 0.00 H new ATOM 0 HD1 HIS A 63 38.454 9.146 -39.121 1.00 0.00 H new ATOM 0 HD2 HIS A 63 34.728 11.050 -38.713 1.00 0.00 H new ATOM 0 HE1 HIS A 63 37.281 9.013 -41.388 1.00 0.00 H new ATOM 892 N PRO A 64 36.124 7.686 -35.276 1.00 0.00 N ATOM 893 CA PRO A 64 36.625 6.592 -34.432 1.00 0.00 C ATOM 894 C PRO A 64 37.891 6.010 -35.083 1.00 0.00 C ATOM 895 O PRO A 64 37.827 5.096 -35.879 1.00 0.00 O ATOM 896 CB PRO A 64 35.480 5.593 -34.456 1.00 0.00 C ATOM 897 CG PRO A 64 34.755 5.836 -35.748 1.00 0.00 C ATOM 898 CD PRO A 64 35.110 7.223 -36.229 1.00 0.00 C ATOM 0 HA PRO A 64 36.896 6.884 -33.417 1.00 0.00 H new ATOM 0 HB2 PRO A 64 35.852 4.570 -34.402 1.00 0.00 H new ATOM 0 HB3 PRO A 64 34.817 5.736 -33.602 1.00 0.00 H new ATOM 0 HG2 PRO A 64 35.040 5.091 -36.491 1.00 0.00 H new ATOM 0 HG3 PRO A 64 33.678 5.747 -35.603 1.00 0.00 H new ATOM 0 HD2 PRO A 64 35.499 7.204 -37.247 1.00 0.00 H new ATOM 0 HD3 PRO A 64 34.239 7.878 -36.233 1.00 0.00 H new ATOM 906 N THR A 65 39.036 6.559 -34.778 1.00 0.00 N ATOM 907 CA THR A 65 40.307 6.067 -35.406 1.00 0.00 C ATOM 908 C THR A 65 41.154 5.319 -34.384 1.00 0.00 C ATOM 909 O THR A 65 41.753 4.299 -34.658 1.00 0.00 O ATOM 910 CB THR A 65 41.048 7.337 -35.822 1.00 0.00 C ATOM 911 OG1 THR A 65 41.742 7.861 -34.699 1.00 0.00 O ATOM 912 CG2 THR A 65 40.059 8.381 -36.338 1.00 0.00 C ATOM 0 H THR A 65 39.151 7.329 -34.120 1.00 0.00 H new ATOM 0 HA THR A 65 40.110 5.388 -36.236 1.00 0.00 H new ATOM 0 HB THR A 65 41.753 7.095 -36.617 1.00 0.00 H new ATOM 0 HG1 THR A 65 42.221 8.675 -34.961 1.00 0.00 H new ATOM 0 HG21 THR A 65 40.600 9.281 -36.631 1.00 0.00 H new ATOM 0 HG22 THR A 65 39.525 7.982 -37.200 1.00 0.00 H new ATOM 0 HG23 THR A 65 39.346 8.626 -35.551 1.00 0.00 H new ATOM 920 N ILE A 66 41.209 5.864 -33.214 1.00 0.00 N ATOM 921 CA ILE A 66 42.009 5.287 -32.096 1.00 0.00 C ATOM 922 C ILE A 66 43.440 4.978 -32.559 1.00 0.00 C ATOM 923 O ILE A 66 43.759 5.036 -33.730 1.00 0.00 O ATOM 924 CB ILE A 66 41.263 4.025 -31.570 1.00 0.00 C ATOM 925 CG1 ILE A 66 42.261 2.890 -31.289 1.00 0.00 C ATOM 926 CG2 ILE A 66 40.217 3.525 -32.560 1.00 0.00 C ATOM 927 CD1 ILE A 66 41.505 1.598 -30.970 1.00 0.00 C ATOM 0 H ILE A 66 40.714 6.722 -32.969 1.00 0.00 H new ATOM 0 HA ILE A 66 42.105 6.002 -31.279 1.00 0.00 H new ATOM 0 HB ILE A 66 40.757 4.318 -30.650 1.00 0.00 H new ATOM 0 HG12 ILE A 66 42.907 2.739 -32.154 1.00 0.00 H new ATOM 0 HG13 ILE A 66 42.906 3.160 -30.453 1.00 0.00 H new ATOM 0 HG21 ILE A 66 39.722 2.644 -32.152 1.00 0.00 H new ATOM 0 HG22 ILE A 66 39.479 4.308 -32.736 1.00 0.00 H new ATOM 0 HG23 ILE A 66 40.702 3.266 -33.501 1.00 0.00 H new ATOM 0 HD11 ILE A 66 42.219 0.798 -30.772 1.00 0.00 H new ATOM 0 HD12 ILE A 66 40.878 1.751 -30.091 1.00 0.00 H new ATOM 0 HD13 ILE A 66 40.879 1.324 -31.819 1.00 0.00 H new ATOM 939 N SER A 67 44.306 4.679 -31.627 1.00 0.00 N ATOM 940 CA SER A 67 45.727 4.397 -31.975 1.00 0.00 C ATOM 941 C SER A 67 45.875 3.066 -32.710 1.00 0.00 C ATOM 942 O SER A 67 45.754 2.007 -32.130 1.00 0.00 O ATOM 943 CB SER A 67 46.455 4.347 -30.634 1.00 0.00 C ATOM 944 OG SER A 67 47.614 5.167 -30.698 1.00 0.00 O ATOM 0 H SER A 67 44.087 4.618 -30.633 1.00 0.00 H new ATOM 0 HA SER A 67 46.131 5.156 -32.645 1.00 0.00 H new ATOM 0 HB2 SER A 67 45.796 4.690 -29.836 1.00 0.00 H new ATOM 0 HB3 SER A 67 46.734 3.320 -30.397 1.00 0.00 H new ATOM 0 HG SER A 67 48.083 5.138 -29.838 1.00 0.00 H new ATOM 950 N ASN A 68 46.161 3.121 -33.980 1.00 0.00 N ATOM 951 CA ASN A 68 46.350 1.871 -34.770 1.00 0.00 C ATOM 952 C ASN A 68 45.346 0.793 -34.357 1.00 0.00 C ATOM 953 O ASN A 68 45.673 -0.376 -34.308 1.00 0.00 O ATOM 954 CB ASN A 68 47.774 1.419 -34.441 1.00 0.00 C ATOM 955 CG ASN A 68 48.711 1.794 -35.591 1.00 0.00 C ATOM 956 OD1 ASN A 68 48.639 1.220 -36.659 1.00 0.00 O ATOM 957 ND2 ASN A 68 49.593 2.740 -35.416 1.00 0.00 N ATOM 0 H ASN A 68 46.273 3.985 -34.510 1.00 0.00 H new ATOM 0 HA ASN A 68 46.195 2.041 -35.835 1.00 0.00 H new ATOM 0 HB2 ASN A 68 48.111 1.888 -33.517 1.00 0.00 H new ATOM 0 HB3 ASN A 68 47.796 0.342 -34.278 1.00 0.00 H new ATOM 0 HD21 ASN A 68 50.222 2.998 -36.176 1.00 0.00 H new ATOM 0 HD22 ASN A 68 49.653 3.222 -34.519 1.00 0.00 H new ATOM 964 N GLY A 69 44.128 1.157 -34.067 1.00 0.00 N ATOM 965 CA GLY A 69 43.137 0.117 -33.674 1.00 0.00 C ATOM 966 C GLY A 69 41.991 0.108 -34.682 1.00 0.00 C ATOM 967 O GLY A 69 41.496 -0.929 -35.072 1.00 0.00 O ATOM 0 H GLY A 69 43.779 2.115 -34.084 1.00 0.00 H new ATOM 0 HA2 GLY A 69 43.614 -0.862 -33.640 1.00 0.00 H new ATOM 0 HA3 GLY A 69 42.755 0.321 -32.674 1.00 0.00 H new ATOM 971 N TYR A 70 41.576 1.268 -35.092 1.00 0.00 N ATOM 972 CA TYR A 70 40.457 1.395 -36.073 1.00 0.00 C ATOM 973 C TYR A 70 39.336 0.410 -35.797 1.00 0.00 C ATOM 974 O TYR A 70 39.307 -0.298 -34.811 1.00 0.00 O ATOM 975 CB TYR A 70 41.064 1.183 -37.470 1.00 0.00 C ATOM 976 CG TYR A 70 40.893 -0.243 -37.956 1.00 0.00 C ATOM 977 CD1 TYR A 70 41.821 -1.225 -37.591 1.00 0.00 C ATOM 978 CD2 TYR A 70 39.816 -0.575 -38.788 1.00 0.00 C ATOM 979 CE1 TYR A 70 41.672 -2.538 -38.053 1.00 0.00 C ATOM 980 CE2 TYR A 70 39.668 -1.887 -39.252 1.00 0.00 C ATOM 981 CZ TYR A 70 40.596 -2.869 -38.885 1.00 0.00 C ATOM 982 OH TYR A 70 40.448 -4.163 -39.342 1.00 0.00 O ATOM 0 H TYR A 70 41.971 2.157 -34.784 1.00 0.00 H new ATOM 0 HA TYR A 70 39.999 2.381 -35.994 1.00 0.00 H new ATOM 0 HB2 TYR A 70 40.592 1.865 -38.177 1.00 0.00 H new ATOM 0 HB3 TYR A 70 42.125 1.432 -37.445 1.00 0.00 H new ATOM 0 HD1 TYR A 70 42.653 -0.969 -36.952 1.00 0.00 H new ATOM 0 HD2 TYR A 70 39.100 0.182 -39.071 1.00 0.00 H new ATOM 0 HE1 TYR A 70 42.387 -3.295 -37.768 1.00 0.00 H new ATOM 0 HE2 TYR A 70 38.837 -2.142 -39.894 1.00 0.00 H new ATOM 0 HH TYR A 70 39.649 -4.221 -39.907 1.00 0.00 H new ATOM 992 N LEU A 71 38.407 0.390 -36.685 1.00 0.00 N ATOM 993 CA LEU A 71 37.232 -0.515 -36.530 1.00 0.00 C ATOM 994 C LEU A 71 36.856 -1.169 -37.862 1.00 0.00 C ATOM 995 O LEU A 71 37.214 -0.708 -38.926 1.00 0.00 O ATOM 996 CB LEU A 71 36.092 0.372 -35.978 1.00 0.00 C ATOM 997 CG LEU A 71 35.995 1.714 -36.713 1.00 0.00 C ATOM 998 CD1 LEU A 71 37.051 2.662 -36.173 1.00 0.00 C ATOM 999 CD2 LEU A 71 36.186 1.537 -38.219 1.00 0.00 C ATOM 0 H LEU A 71 38.400 0.965 -37.528 1.00 0.00 H new ATOM 0 HA LEU A 71 37.446 -1.342 -35.853 1.00 0.00 H new ATOM 0 HB2 LEU A 71 35.144 -0.159 -36.068 1.00 0.00 H new ATOM 0 HB3 LEU A 71 36.256 0.552 -34.916 1.00 0.00 H new ATOM 0 HG LEU A 71 35.000 2.127 -36.544 1.00 0.00 H new ATOM 0 HD11 LEU A 71 36.984 3.617 -36.694 1.00 0.00 H new ATOM 0 HD12 LEU A 71 36.888 2.819 -35.107 1.00 0.00 H new ATOM 0 HD13 LEU A 71 38.040 2.232 -36.330 1.00 0.00 H new ATOM 0 HD21 LEU A 71 36.112 2.506 -38.712 1.00 0.00 H new ATOM 0 HD22 LEU A 71 37.168 1.106 -38.413 1.00 0.00 H new ATOM 0 HD23 LEU A 71 35.415 0.872 -38.608 1.00 0.00 H new ATOM 1011 N SER A 72 36.151 -2.263 -37.807 1.00 0.00 N ATOM 1012 CA SER A 72 35.768 -2.960 -39.064 1.00 0.00 C ATOM 1013 C SER A 72 34.290 -3.364 -39.019 1.00 0.00 C ATOM 1014 O SER A 72 33.889 -4.343 -39.616 1.00 0.00 O ATOM 1015 CB SER A 72 36.657 -4.203 -39.109 1.00 0.00 C ATOM 1016 OG SER A 72 36.533 -4.824 -40.381 1.00 0.00 O ATOM 0 H SER A 72 35.824 -2.704 -36.947 1.00 0.00 H new ATOM 0 HA SER A 72 35.898 -2.328 -39.942 1.00 0.00 H new ATOM 0 HB2 SER A 72 37.696 -3.928 -38.926 1.00 0.00 H new ATOM 0 HB3 SER A 72 36.368 -4.899 -38.322 1.00 0.00 H new ATOM 0 HG SER A 72 35.586 -4.875 -40.629 1.00 0.00 H new ATOM 1022 N SER A 73 33.479 -2.625 -38.310 1.00 0.00 N ATOM 1023 CA SER A 73 32.031 -2.982 -38.225 1.00 0.00 C ATOM 1024 C SER A 73 31.179 -1.991 -39.022 1.00 0.00 C ATOM 1025 O SER A 73 30.657 -2.310 -40.071 1.00 0.00 O ATOM 1026 CB SER A 73 31.692 -2.909 -36.735 1.00 0.00 C ATOM 1027 OG SER A 73 30.836 -3.992 -36.397 1.00 0.00 O ATOM 0 H SER A 73 33.754 -1.793 -37.788 1.00 0.00 H new ATOM 0 HA SER A 73 31.829 -3.968 -38.643 1.00 0.00 H new ATOM 0 HB2 SER A 73 32.604 -2.951 -36.140 1.00 0.00 H new ATOM 0 HB3 SER A 73 31.206 -1.961 -36.506 1.00 0.00 H new ATOM 0 HG SER A 73 30.252 -3.728 -35.656 1.00 0.00 H new ATOM 1033 N GLY A 74 31.031 -0.794 -38.530 1.00 0.00 N ATOM 1034 CA GLY A 74 30.209 0.216 -39.256 1.00 0.00 C ATOM 1035 C GLY A 74 30.844 1.595 -39.097 1.00 0.00 C ATOM 1036 O GLY A 74 30.495 2.356 -38.215 1.00 0.00 O ATOM 0 H GLY A 74 31.444 -0.470 -37.655 1.00 0.00 H new ATOM 0 HA2 GLY A 74 30.141 -0.046 -40.312 1.00 0.00 H new ATOM 0 HA3 GLY A 74 29.192 0.224 -38.863 1.00 0.00 H new ATOM 1040 N PHE A 75 31.779 1.919 -39.941 1.00 0.00 N ATOM 1041 CA PHE A 75 32.450 3.244 -39.843 1.00 0.00 C ATOM 1042 C PHE A 75 32.087 4.112 -41.051 1.00 0.00 C ATOM 1043 O PHE A 75 31.535 3.640 -42.025 1.00 0.00 O ATOM 1044 CB PHE A 75 33.943 2.906 -39.819 1.00 0.00 C ATOM 1045 CG PHE A 75 34.764 4.073 -40.322 1.00 0.00 C ATOM 1046 CD1 PHE A 75 34.793 4.373 -41.690 1.00 0.00 C ATOM 1047 CD2 PHE A 75 35.498 4.850 -39.420 1.00 0.00 C ATOM 1048 CE1 PHE A 75 35.554 5.451 -42.155 1.00 0.00 C ATOM 1049 CE2 PHE A 75 36.260 5.930 -39.885 1.00 0.00 C ATOM 1050 CZ PHE A 75 36.288 6.230 -41.253 1.00 0.00 C ATOM 0 H PHE A 75 32.110 1.321 -40.698 1.00 0.00 H new ATOM 0 HA PHE A 75 32.149 3.814 -38.964 1.00 0.00 H new ATOM 0 HB2 PHE A 75 34.247 2.652 -38.804 1.00 0.00 H new ATOM 0 HB3 PHE A 75 34.132 2.029 -40.437 1.00 0.00 H new ATOM 0 HD1 PHE A 75 34.227 3.772 -42.386 1.00 0.00 H new ATOM 0 HD2 PHE A 75 35.477 4.618 -38.365 1.00 0.00 H new ATOM 0 HE1 PHE A 75 35.575 5.682 -43.210 1.00 0.00 H new ATOM 0 HE2 PHE A 75 36.826 6.531 -39.189 1.00 0.00 H new ATOM 0 HZ PHE A 75 36.876 7.062 -41.612 1.00 0.00 H new ATOM 1060 N LYS A 76 32.393 5.380 -40.992 1.00 0.00 N ATOM 1061 CA LYS A 76 32.064 6.278 -42.133 1.00 0.00 C ATOM 1062 C LYS A 76 32.812 7.607 -42.002 1.00 0.00 C ATOM 1063 O LYS A 76 33.324 7.942 -40.955 1.00 0.00 O ATOM 1064 CB LYS A 76 30.557 6.503 -42.033 1.00 0.00 C ATOM 1065 CG LYS A 76 29.949 6.486 -43.435 1.00 0.00 C ATOM 1066 CD LYS A 76 28.459 6.822 -43.353 1.00 0.00 C ATOM 1067 CE LYS A 76 27.652 5.734 -44.065 1.00 0.00 C ATOM 1068 NZ LYS A 76 27.643 6.131 -45.503 1.00 0.00 N ATOM 0 H LYS A 76 32.856 5.831 -40.203 1.00 0.00 H new ATOM 0 HA LYS A 76 32.354 5.847 -43.091 1.00 0.00 H new ATOM 0 HB2 LYS A 76 30.102 5.727 -41.418 1.00 0.00 H new ATOM 0 HB3 LYS A 76 30.352 7.457 -41.547 1.00 0.00 H new ATOM 0 HG2 LYS A 76 30.460 7.207 -44.073 1.00 0.00 H new ATOM 0 HG3 LYS A 76 30.086 5.505 -43.890 1.00 0.00 H new ATOM 0 HD2 LYS A 76 28.149 6.897 -42.311 1.00 0.00 H new ATOM 0 HD3 LYS A 76 28.268 7.792 -43.813 1.00 0.00 H new ATOM 0 HE2 LYS A 76 28.108 4.753 -43.930 1.00 0.00 H new ATOM 0 HE3 LYS A 76 26.639 5.671 -43.667 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 27.107 5.430 -46.053 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 27.196 7.065 -45.603 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 28.620 6.175 -45.857 1.00 0.00 H new ATOM 1082 N ARG A 77 32.877 8.367 -43.057 1.00 0.00 N ATOM 1083 CA ARG A 77 33.589 9.673 -42.988 1.00 0.00 C ATOM 1084 C ARG A 77 32.899 10.596 -41.981 1.00 0.00 C ATOM 1085 O ARG A 77 33.492 11.521 -41.462 1.00 0.00 O ATOM 1086 CB ARG A 77 33.495 10.246 -44.402 1.00 0.00 C ATOM 1087 CG ARG A 77 34.815 10.004 -45.130 1.00 0.00 C ATOM 1088 CD ARG A 77 34.844 10.820 -46.425 1.00 0.00 C ATOM 1089 NE ARG A 77 36.279 11.158 -46.636 1.00 0.00 N ATOM 1090 CZ ARG A 77 36.663 12.405 -46.620 1.00 0.00 C ATOM 1091 NH1 ARG A 77 36.177 13.227 -45.731 1.00 0.00 N ATOM 1092 NH2 ARG A 77 37.533 12.830 -47.495 1.00 0.00 N ATOM 0 H ARG A 77 32.469 8.141 -43.964 1.00 0.00 H new ATOM 0 HA ARG A 77 34.623 9.568 -42.661 1.00 0.00 H new ATOM 0 HB2 ARG A 77 32.675 9.775 -44.944 1.00 0.00 H new ATOM 0 HB3 ARG A 77 33.279 11.314 -44.361 1.00 0.00 H new ATOM 0 HG2 ARG A 77 35.652 10.287 -44.491 1.00 0.00 H new ATOM 0 HG3 ARG A 77 34.929 8.943 -45.354 1.00 0.00 H new ATOM 0 HD2 ARG A 77 34.447 10.246 -47.262 1.00 0.00 H new ATOM 0 HD3 ARG A 77 34.235 11.720 -46.338 1.00 0.00 H new ATOM 0 HE ARG A 77 36.961 10.416 -46.793 1.00 0.00 H new ATOM 0 HH11 ARG A 77 35.496 12.895 -45.048 1.00 0.00 H new ATOM 0 HH12 ARG A 77 36.478 14.202 -45.719 1.00 0.00 H new ATOM 0 HH21 ARG A 77 37.912 12.188 -48.191 1.00 0.00 H new ATOM 0 HH22 ARG A 77 37.834 13.805 -47.483 1.00 0.00 H new ATOM 1106 N SER A 78 31.649 10.350 -41.704 1.00 0.00 N ATOM 1107 CA SER A 78 30.914 11.212 -40.731 1.00 0.00 C ATOM 1108 C SER A 78 29.859 10.395 -39.977 1.00 0.00 C ATOM 1109 O SER A 78 29.339 9.419 -40.480 1.00 0.00 O ATOM 1110 CB SER A 78 30.244 12.285 -41.586 1.00 0.00 C ATOM 1111 OG SER A 78 29.005 12.649 -40.993 1.00 0.00 O ATOM 0 H SER A 78 31.103 9.590 -42.108 1.00 0.00 H new ATOM 0 HA SER A 78 31.578 11.638 -39.979 1.00 0.00 H new ATOM 0 HB2 SER A 78 30.892 13.158 -41.669 1.00 0.00 H new ATOM 0 HB3 SER A 78 30.081 11.912 -42.597 1.00 0.00 H new ATOM 0 HG SER A 78 28.572 13.339 -41.538 1.00 0.00 H new ATOM 1117 N TYR A 79 29.533 10.795 -38.777 1.00 0.00 N ATOM 1118 CA TYR A 79 28.505 10.048 -37.992 1.00 0.00 C ATOM 1119 C TYR A 79 27.500 11.027 -37.376 1.00 0.00 C ATOM 1120 O TYR A 79 27.184 12.051 -37.948 1.00 0.00 O ATOM 1121 CB TYR A 79 29.282 9.329 -36.890 1.00 0.00 C ATOM 1122 CG TYR A 79 30.504 8.659 -37.469 1.00 0.00 C ATOM 1123 CD1 TYR A 79 31.708 9.366 -37.567 1.00 0.00 C ATOM 1124 CD2 TYR A 79 30.440 7.326 -37.893 1.00 0.00 C ATOM 1125 CE1 TYR A 79 32.846 8.742 -38.087 1.00 0.00 C ATOM 1126 CE2 TYR A 79 31.578 6.703 -38.416 1.00 0.00 C ATOM 1127 CZ TYR A 79 32.781 7.411 -38.511 1.00 0.00 C ATOM 1128 OH TYR A 79 33.904 6.797 -39.022 1.00 0.00 O ATOM 0 H TYR A 79 29.933 11.606 -38.306 1.00 0.00 H new ATOM 0 HA TYR A 79 27.942 9.352 -38.614 1.00 0.00 H new ATOM 0 HB2 TYR A 79 29.579 10.041 -36.120 1.00 0.00 H new ATOM 0 HB3 TYR A 79 28.644 8.587 -36.410 1.00 0.00 H new ATOM 0 HD1 TYR A 79 31.758 10.394 -37.241 1.00 0.00 H new ATOM 0 HD2 TYR A 79 29.512 6.779 -37.816 1.00 0.00 H new ATOM 0 HE1 TYR A 79 33.775 9.288 -38.161 1.00 0.00 H new ATOM 0 HE2 TYR A 79 31.528 5.676 -38.746 1.00 0.00 H new ATOM 0 HH TYR A 79 33.986 5.897 -38.643 1.00 0.00 H new ATOM 1138 N SER A 80 26.997 10.718 -36.209 1.00 0.00 N ATOM 1139 CA SER A 80 26.015 11.630 -35.552 1.00 0.00 C ATOM 1140 C SER A 80 25.855 11.251 -34.068 1.00 0.00 C ATOM 1141 O SER A 80 26.804 11.293 -33.312 1.00 0.00 O ATOM 1142 CB SER A 80 24.709 11.414 -36.316 1.00 0.00 C ATOM 1143 OG SER A 80 24.289 10.065 -36.155 1.00 0.00 O ATOM 0 H SER A 80 27.224 9.874 -35.683 1.00 0.00 H new ATOM 0 HA SER A 80 26.329 12.673 -35.577 1.00 0.00 H new ATOM 0 HB2 SER A 80 23.941 12.093 -35.946 1.00 0.00 H new ATOM 0 HB3 SER A 80 24.851 11.639 -37.373 1.00 0.00 H new ATOM 0 HG SER A 80 23.451 9.923 -36.642 1.00 0.00 H new ATOM 1149 N TYR A 81 24.661 10.904 -33.635 1.00 0.00 N ATOM 1150 CA TYR A 81 24.460 10.553 -32.197 1.00 0.00 C ATOM 1151 C TYR A 81 24.305 9.029 -32.016 1.00 0.00 C ATOM 1152 O TYR A 81 23.551 8.564 -31.183 1.00 0.00 O ATOM 1153 CB TYR A 81 23.195 11.331 -31.791 1.00 0.00 C ATOM 1154 CG TYR A 81 21.971 10.452 -31.787 1.00 0.00 C ATOM 1155 CD1 TYR A 81 21.478 9.930 -32.986 1.00 0.00 C ATOM 1156 CD2 TYR A 81 21.325 10.173 -30.580 1.00 0.00 C ATOM 1157 CE1 TYR A 81 20.334 9.125 -32.977 1.00 0.00 C ATOM 1158 CE2 TYR A 81 20.184 9.368 -30.568 1.00 0.00 C ATOM 1159 CZ TYR A 81 19.686 8.842 -31.767 1.00 0.00 C ATOM 1160 OH TYR A 81 18.557 8.049 -31.756 1.00 0.00 O ATOM 0 H TYR A 81 23.824 10.850 -34.216 1.00 0.00 H new ATOM 0 HA TYR A 81 25.310 10.820 -31.569 1.00 0.00 H new ATOM 0 HB2 TYR A 81 23.336 11.761 -30.799 1.00 0.00 H new ATOM 0 HB3 TYR A 81 23.043 12.162 -32.480 1.00 0.00 H new ATOM 0 HD1 TYR A 81 21.979 10.148 -33.918 1.00 0.00 H new ATOM 0 HD2 TYR A 81 21.708 10.580 -29.656 1.00 0.00 H new ATOM 0 HE1 TYR A 81 19.950 8.722 -33.902 1.00 0.00 H new ATOM 0 HE2 TYR A 81 19.686 9.151 -29.635 1.00 0.00 H new ATOM 0 HH TYR A 81 18.234 7.952 -30.836 1.00 0.00 H new ATOM 1170 N ASN A 82 25.030 8.248 -32.778 1.00 0.00 N ATOM 1171 CA ASN A 82 24.933 6.763 -32.635 1.00 0.00 C ATOM 1172 C ASN A 82 25.937 6.061 -33.560 1.00 0.00 C ATOM 1173 O ASN A 82 27.133 6.178 -33.381 1.00 0.00 O ATOM 1174 CB ASN A 82 23.492 6.417 -33.013 1.00 0.00 C ATOM 1175 CG ASN A 82 23.097 7.165 -34.290 1.00 0.00 C ATOM 1176 OD1 ASN A 82 23.902 7.859 -34.878 1.00 0.00 O ATOM 1177 ND2 ASN A 82 21.881 7.048 -34.750 1.00 0.00 N ATOM 0 H ASN A 82 25.683 8.574 -33.491 1.00 0.00 H new ATOM 0 HA ASN A 82 25.172 6.432 -31.624 1.00 0.00 H new ATOM 0 HB2 ASN A 82 23.394 5.342 -33.165 1.00 0.00 H new ATOM 0 HB3 ASN A 82 22.818 6.686 -32.200 1.00 0.00 H new ATOM 0 HD21 ASN A 82 21.608 7.539 -35.602 1.00 0.00 H new ATOM 0 HD22 ASN A 82 21.203 6.466 -34.258 1.00 0.00 H new ATOM 1184 N ASP A 83 25.474 5.322 -34.537 1.00 0.00 N ATOM 1185 CA ASP A 83 26.424 4.613 -35.441 1.00 0.00 C ATOM 1186 C ASP A 83 27.535 3.968 -34.612 1.00 0.00 C ATOM 1187 O ASP A 83 28.623 4.496 -34.498 1.00 0.00 O ATOM 1188 CB ASP A 83 26.993 5.699 -36.355 1.00 0.00 C ATOM 1189 CG ASP A 83 26.302 5.636 -37.719 1.00 0.00 C ATOM 1190 OD1 ASP A 83 26.364 4.591 -38.346 1.00 0.00 O ATOM 1191 OD2 ASP A 83 25.724 6.636 -38.115 1.00 0.00 O ATOM 0 H ASP A 83 24.485 5.181 -34.745 1.00 0.00 H new ATOM 0 HA ASP A 83 25.944 3.819 -36.014 1.00 0.00 H new ATOM 0 HB2 ASP A 83 26.845 6.681 -35.906 1.00 0.00 H new ATOM 0 HB3 ASP A 83 28.068 5.562 -36.474 1.00 0.00 H new ATOM 1196 N ASN A 84 27.263 2.838 -34.018 1.00 0.00 N ATOM 1197 CA ASN A 84 28.299 2.172 -33.180 1.00 0.00 C ATOM 1198 C ASN A 84 29.442 1.636 -34.054 1.00 0.00 C ATOM 1199 O ASN A 84 29.218 1.071 -35.106 1.00 0.00 O ATOM 1200 CB ASN A 84 27.568 1.023 -32.483 1.00 0.00 C ATOM 1201 CG ASN A 84 27.034 0.040 -33.527 1.00 0.00 C ATOM 1202 OD1 ASN A 84 27.797 -0.629 -34.194 1.00 0.00 O ATOM 1203 ND2 ASN A 84 25.745 -0.077 -33.695 1.00 0.00 N ATOM 0 H ASN A 84 26.370 2.348 -34.077 1.00 0.00 H new ATOM 0 HA ASN A 84 28.751 2.861 -32.467 1.00 0.00 H new ATOM 0 HB2 ASN A 84 28.245 0.510 -31.800 1.00 0.00 H new ATOM 0 HB3 ASN A 84 26.746 1.413 -31.883 1.00 0.00 H new ATOM 0 HD21 ASN A 84 25.378 -0.731 -34.387 1.00 0.00 H new ATOM 0 HD22 ASN A 84 25.105 0.485 -33.134 1.00 0.00 H new ATOM 1210 N VAL A 85 30.665 1.807 -33.620 1.00 0.00 N ATOM 1211 CA VAL A 85 31.824 1.305 -34.420 1.00 0.00 C ATOM 1212 C VAL A 85 32.633 0.284 -33.613 1.00 0.00 C ATOM 1213 O VAL A 85 33.192 0.594 -32.580 1.00 0.00 O ATOM 1214 CB VAL A 85 32.679 2.532 -34.732 1.00 0.00 C ATOM 1215 CG1 VAL A 85 31.893 3.484 -35.634 1.00 0.00 C ATOM 1216 CG2 VAL A 85 33.062 3.256 -33.439 1.00 0.00 C ATOM 0 H VAL A 85 30.911 2.272 -32.746 1.00 0.00 H new ATOM 0 HA VAL A 85 31.493 0.804 -35.329 1.00 0.00 H new ATOM 0 HB VAL A 85 33.588 2.209 -35.239 1.00 0.00 H new ATOM 0 HG11 VAL A 85 32.502 4.360 -35.857 1.00 0.00 H new ATOM 0 HG12 VAL A 85 31.635 2.975 -36.563 1.00 0.00 H new ATOM 0 HG13 VAL A 85 30.981 3.797 -35.126 1.00 0.00 H new ATOM 0 HG21 VAL A 85 33.671 4.128 -33.677 1.00 0.00 H new ATOM 0 HG22 VAL A 85 32.159 3.575 -32.919 1.00 0.00 H new ATOM 0 HG23 VAL A 85 33.630 2.581 -32.798 1.00 0.00 H new ATOM 1226 N ASP A 86 32.713 -0.927 -34.090 1.00 0.00 N ATOM 1227 CA ASP A 86 33.505 -1.966 -33.366 1.00 0.00 C ATOM 1228 C ASP A 86 34.973 -1.819 -33.760 1.00 0.00 C ATOM 1229 O ASP A 86 35.312 -1.834 -34.924 1.00 0.00 O ATOM 1230 CB ASP A 86 32.946 -3.308 -33.837 1.00 0.00 C ATOM 1231 CG ASP A 86 32.875 -4.274 -32.653 1.00 0.00 C ATOM 1232 OD1 ASP A 86 33.860 -4.378 -31.940 1.00 0.00 O ATOM 1233 OD2 ASP A 86 31.838 -4.891 -32.477 1.00 0.00 O ATOM 0 H ASP A 86 32.265 -1.244 -34.950 1.00 0.00 H new ATOM 0 HA ASP A 86 33.438 -1.877 -32.282 1.00 0.00 H new ATOM 0 HB2 ASP A 86 31.954 -3.170 -34.268 1.00 0.00 H new ATOM 0 HB3 ASP A 86 33.579 -3.723 -34.621 1.00 0.00 H new ATOM 1238 N PHE A 87 35.842 -1.637 -32.811 1.00 0.00 N ATOM 1239 CA PHE A 87 37.275 -1.435 -33.158 1.00 0.00 C ATOM 1240 C PHE A 87 38.018 -2.742 -33.410 1.00 0.00 C ATOM 1241 O PHE A 87 37.841 -3.731 -32.727 1.00 0.00 O ATOM 1242 CB PHE A 87 37.849 -0.669 -31.976 1.00 0.00 C ATOM 1243 CG PHE A 87 37.357 0.740 -32.108 1.00 0.00 C ATOM 1244 CD1 PHE A 87 37.952 1.587 -33.043 1.00 0.00 C ATOM 1245 CD2 PHE A 87 36.277 1.186 -31.342 1.00 0.00 C ATOM 1246 CE1 PHE A 87 37.474 2.880 -33.218 1.00 0.00 C ATOM 1247 CE2 PHE A 87 35.802 2.489 -31.510 1.00 0.00 C ATOM 1248 CZ PHE A 87 36.402 3.332 -32.453 1.00 0.00 C ATOM 0 H PHE A 87 35.626 -1.619 -31.814 1.00 0.00 H new ATOM 0 HA PHE A 87 37.384 -0.891 -34.096 1.00 0.00 H new ATOM 0 HB2 PHE A 87 37.523 -1.108 -31.033 1.00 0.00 H new ATOM 0 HB3 PHE A 87 38.938 -0.703 -31.983 1.00 0.00 H new ATOM 0 HD1 PHE A 87 38.786 1.237 -33.633 1.00 0.00 H new ATOM 0 HD2 PHE A 87 35.812 0.527 -30.624 1.00 0.00 H new ATOM 0 HE1 PHE A 87 37.933 3.533 -33.946 1.00 0.00 H new ATOM 0 HE2 PHE A 87 34.974 2.845 -30.914 1.00 0.00 H new ATOM 0 HZ PHE A 87 36.032 4.338 -32.588 1.00 0.00 H new ATOM 1258 N LYS A 88 38.858 -2.725 -34.408 1.00 0.00 N ATOM 1259 CA LYS A 88 39.654 -3.924 -34.771 1.00 0.00 C ATOM 1260 C LYS A 88 41.138 -3.623 -34.570 1.00 0.00 C ATOM 1261 O LYS A 88 41.824 -3.210 -35.485 1.00 0.00 O ATOM 1262 CB LYS A 88 39.357 -4.137 -36.252 1.00 0.00 C ATOM 1263 CG LYS A 88 38.974 -5.599 -36.500 1.00 0.00 C ATOM 1264 CD LYS A 88 40.209 -6.487 -36.331 1.00 0.00 C ATOM 1265 CE LYS A 88 40.323 -7.441 -37.524 1.00 0.00 C ATOM 1266 NZ LYS A 88 39.378 -8.552 -37.221 1.00 0.00 N ATOM 0 H LYS A 88 39.027 -1.910 -34.998 1.00 0.00 H new ATOM 0 HA LYS A 88 39.411 -4.800 -34.169 1.00 0.00 H new ATOM 0 HB2 LYS A 88 38.546 -3.481 -36.568 1.00 0.00 H new ATOM 0 HB3 LYS A 88 40.230 -3.874 -36.849 1.00 0.00 H new ATOM 0 HG2 LYS A 88 38.195 -5.905 -35.802 1.00 0.00 H new ATOM 0 HG3 LYS A 88 38.565 -5.714 -37.504 1.00 0.00 H new ATOM 0 HD2 LYS A 88 41.105 -5.871 -36.258 1.00 0.00 H new ATOM 0 HD3 LYS A 88 40.137 -7.055 -35.404 1.00 0.00 H new ATOM 0 HE2 LYS A 88 40.059 -6.941 -38.456 1.00 0.00 H new ATOM 0 HE3 LYS A 88 41.342 -7.810 -37.638 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 39.400 -9.247 -37.994 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 39.659 -9.014 -36.332 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 38.415 -8.172 -37.125 1.00 0.00 H new ATOM 1280 N CYS A 89 41.632 -3.809 -33.379 1.00 0.00 N ATOM 1281 CA CYS A 89 43.069 -3.518 -33.108 1.00 0.00 C ATOM 1282 C CYS A 89 43.945 -3.939 -34.291 1.00 0.00 C ATOM 1283 O CYS A 89 43.884 -5.062 -34.751 1.00 0.00 O ATOM 1284 CB CYS A 89 43.409 -4.346 -31.872 1.00 0.00 C ATOM 1285 SG CYS A 89 44.451 -3.369 -30.767 1.00 0.00 S ATOM 0 H CYS A 89 41.102 -4.151 -32.578 1.00 0.00 H new ATOM 0 HA CYS A 89 43.246 -2.453 -32.956 1.00 0.00 H new ATOM 0 HB2 CYS A 89 42.495 -4.646 -31.358 1.00 0.00 H new ATOM 0 HB3 CYS A 89 43.926 -5.260 -32.164 1.00 0.00 H new ATOM 1290 N LYS A 90 44.755 -3.040 -34.786 1.00 0.00 N ATOM 1291 CA LYS A 90 45.638 -3.377 -35.944 1.00 0.00 C ATOM 1292 C LYS A 90 46.186 -4.808 -35.822 1.00 0.00 C ATOM 1293 O LYS A 90 45.565 -5.753 -36.264 1.00 0.00 O ATOM 1294 CB LYS A 90 46.776 -2.357 -35.886 1.00 0.00 C ATOM 1295 CG LYS A 90 46.406 -1.136 -36.732 1.00 0.00 C ATOM 1296 CD LYS A 90 47.232 -1.138 -38.019 1.00 0.00 C ATOM 1297 CE LYS A 90 46.347 -0.716 -39.194 1.00 0.00 C ATOM 1298 NZ LYS A 90 46.981 -1.333 -40.393 1.00 0.00 N ATOM 0 H LYS A 90 44.844 -2.085 -34.438 1.00 0.00 H new ATOM 0 HA LYS A 90 45.097 -3.336 -36.890 1.00 0.00 H new ATOM 0 HB2 LYS A 90 46.958 -2.057 -34.854 1.00 0.00 H new ATOM 0 HB3 LYS A 90 47.699 -2.804 -36.256 1.00 0.00 H new ATOM 0 HG2 LYS A 90 45.342 -1.154 -36.970 1.00 0.00 H new ATOM 0 HG3 LYS A 90 46.592 -0.221 -36.170 1.00 0.00 H new ATOM 0 HD2 LYS A 90 48.077 -0.456 -37.923 1.00 0.00 H new ATOM 0 HD3 LYS A 90 47.643 -2.131 -38.198 1.00 0.00 H new ATOM 0 HE2 LYS A 90 45.323 -1.067 -39.064 1.00 0.00 H new ATOM 0 HE3 LYS A 90 46.302 0.369 -39.285 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 46.431 -1.089 -41.241 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 47.952 -0.975 -40.495 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 47.003 -2.367 -40.281 1.00 0.00 H new ATOM 1312 N TYR A 91 47.345 -4.977 -35.236 1.00 0.00 N ATOM 1313 CA TYR A 91 47.918 -6.354 -35.106 1.00 0.00 C ATOM 1314 C TYR A 91 48.729 -6.493 -33.811 1.00 0.00 C ATOM 1315 O TYR A 91 49.306 -5.544 -33.324 1.00 0.00 O ATOM 1316 CB TYR A 91 48.836 -6.515 -36.319 1.00 0.00 C ATOM 1317 CG TYR A 91 48.313 -7.619 -37.206 1.00 0.00 C ATOM 1318 CD1 TYR A 91 47.885 -8.827 -36.643 1.00 0.00 C ATOM 1319 CD2 TYR A 91 48.258 -7.434 -38.592 1.00 0.00 C ATOM 1320 CE1 TYR A 91 47.400 -9.850 -37.467 1.00 0.00 C ATOM 1321 CE2 TYR A 91 47.774 -8.457 -39.416 1.00 0.00 C ATOM 1322 CZ TYR A 91 47.344 -9.665 -38.854 1.00 0.00 C ATOM 1323 OH TYR A 91 46.865 -10.674 -39.665 1.00 0.00 O ATOM 0 H TYR A 91 47.916 -4.228 -34.844 1.00 0.00 H new ATOM 0 HA TYR A 91 47.136 -7.113 -35.069 1.00 0.00 H new ATOM 0 HB2 TYR A 91 48.886 -5.580 -36.877 1.00 0.00 H new ATOM 0 HB3 TYR A 91 49.850 -6.746 -35.992 1.00 0.00 H new ATOM 0 HD1 TYR A 91 47.929 -8.970 -35.573 1.00 0.00 H new ATOM 0 HD2 TYR A 91 48.589 -6.502 -39.026 1.00 0.00 H new ATOM 0 HE1 TYR A 91 47.069 -10.782 -37.033 1.00 0.00 H new ATOM 0 HE2 TYR A 91 47.732 -8.314 -40.486 1.00 0.00 H new ATOM 0 HH TYR A 91 46.893 -10.383 -40.600 1.00 0.00 H new ATOM 1333 N GLY A 92 48.781 -7.680 -33.259 1.00 0.00 N ATOM 1334 CA GLY A 92 49.559 -7.896 -32.001 1.00 0.00 C ATOM 1335 C GLY A 92 49.343 -6.718 -31.051 1.00 0.00 C ATOM 1336 O GLY A 92 50.227 -6.329 -30.315 1.00 0.00 O ATOM 0 H GLY A 92 48.317 -8.510 -33.627 1.00 0.00 H new ATOM 0 HA2 GLY A 92 49.244 -8.823 -31.523 1.00 0.00 H new ATOM 0 HA3 GLY A 92 50.619 -8.000 -32.231 1.00 0.00 H new ATOM 1340 N TYR A 93 48.172 -6.146 -31.069 1.00 0.00 N ATOM 1341 CA TYR A 93 47.884 -4.985 -30.179 1.00 0.00 C ATOM 1342 C TYR A 93 46.517 -5.163 -29.513 1.00 0.00 C ATOM 1343 O TYR A 93 45.613 -5.747 -30.076 1.00 0.00 O ATOM 1344 CB TYR A 93 47.876 -3.778 -31.119 1.00 0.00 C ATOM 1345 CG TYR A 93 49.265 -3.537 -31.670 1.00 0.00 C ATOM 1346 CD1 TYR A 93 50.398 -3.838 -30.900 1.00 0.00 C ATOM 1347 CD2 TYR A 93 49.419 -3.014 -32.961 1.00 0.00 C ATOM 1348 CE1 TYR A 93 51.679 -3.617 -31.422 1.00 0.00 C ATOM 1349 CE2 TYR A 93 50.700 -2.792 -33.480 1.00 0.00 C ATOM 1350 CZ TYR A 93 51.830 -3.095 -32.711 1.00 0.00 C ATOM 1351 OH TYR A 93 53.092 -2.880 -33.226 1.00 0.00 O ATOM 0 H TYR A 93 47.396 -6.434 -31.666 1.00 0.00 H new ATOM 0 HA TYR A 93 48.613 -4.875 -29.376 1.00 0.00 H new ATOM 0 HB2 TYR A 93 47.177 -3.950 -31.937 1.00 0.00 H new ATOM 0 HB3 TYR A 93 47.530 -2.893 -30.584 1.00 0.00 H new ATOM 0 HD1 TYR A 93 50.283 -4.240 -29.904 1.00 0.00 H new ATOM 0 HD2 TYR A 93 48.548 -2.782 -33.556 1.00 0.00 H new ATOM 0 HE1 TYR A 93 52.551 -3.850 -30.829 1.00 0.00 H new ATOM 0 HE2 TYR A 93 50.817 -2.387 -34.474 1.00 0.00 H new ATOM 0 HH TYR A 93 53.018 -2.515 -34.133 1.00 0.00 H new ATOM 1361 N LYS A 94 46.360 -4.667 -28.316 1.00 0.00 N ATOM 1362 CA LYS A 94 45.051 -4.808 -27.615 1.00 0.00 C ATOM 1363 C LYS A 94 44.340 -3.456 -27.559 1.00 0.00 C ATOM 1364 O LYS A 94 44.965 -2.416 -27.545 1.00 0.00 O ATOM 1365 CB LYS A 94 45.403 -5.288 -26.206 1.00 0.00 C ATOM 1366 CG LYS A 94 44.131 -5.741 -25.486 1.00 0.00 C ATOM 1367 CD LYS A 94 44.383 -5.773 -23.977 1.00 0.00 C ATOM 1368 CE LYS A 94 43.306 -4.957 -23.259 1.00 0.00 C ATOM 1369 NZ LYS A 94 43.065 -5.681 -21.980 1.00 0.00 N ATOM 0 H LYS A 94 47.081 -4.170 -27.793 1.00 0.00 H new ATOM 0 HA LYS A 94 44.381 -5.501 -28.124 1.00 0.00 H new ATOM 0 HB2 LYS A 94 46.116 -6.111 -26.259 1.00 0.00 H new ATOM 0 HB3 LYS A 94 45.883 -4.485 -25.647 1.00 0.00 H new ATOM 0 HG2 LYS A 94 43.310 -5.062 -25.714 1.00 0.00 H new ATOM 0 HG3 LYS A 94 43.834 -6.729 -25.837 1.00 0.00 H new ATOM 0 HD2 LYS A 94 44.373 -6.802 -23.618 1.00 0.00 H new ATOM 0 HD3 LYS A 94 45.370 -5.367 -23.754 1.00 0.00 H new ATOM 0 HE2 LYS A 94 43.640 -3.935 -23.078 1.00 0.00 H new ATOM 0 HE3 LYS A 94 42.395 -4.894 -23.855 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 42.337 -5.182 -21.430 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 42.742 -6.648 -22.184 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 43.948 -5.719 -21.431 1.00 0.00 H new ATOM 1383 N LEU A 95 43.038 -3.458 -27.528 1.00 0.00 N ATOM 1384 CA LEU A 95 42.298 -2.167 -27.475 1.00 0.00 C ATOM 1385 C LEU A 95 42.088 -1.741 -26.023 1.00 0.00 C ATOM 1386 O LEU A 95 41.176 -2.191 -25.358 1.00 0.00 O ATOM 1387 CB LEU A 95 40.955 -2.452 -28.151 1.00 0.00 C ATOM 1388 CG LEU A 95 41.146 -2.499 -29.668 1.00 0.00 C ATOM 1389 CD1 LEU A 95 40.111 -3.440 -30.287 1.00 0.00 C ATOM 1390 CD2 LEU A 95 40.969 -1.096 -30.250 1.00 0.00 C ATOM 0 H LEU A 95 42.455 -4.295 -27.537 1.00 0.00 H new ATOM 0 HA LEU A 95 42.838 -1.359 -27.968 1.00 0.00 H new ATOM 0 HB2 LEU A 95 40.551 -3.400 -27.795 1.00 0.00 H new ATOM 0 HB3 LEU A 95 40.233 -1.679 -27.889 1.00 0.00 H new ATOM 0 HG LEU A 95 42.148 -2.863 -29.894 1.00 0.00 H new ATOM 0 HD11 LEU A 95 40.249 -3.472 -31.368 1.00 0.00 H new ATOM 0 HD12 LEU A 95 40.237 -4.441 -29.875 1.00 0.00 H new ATOM 0 HD13 LEU A 95 39.108 -3.078 -30.060 1.00 0.00 H new ATOM 0 HD21 LEU A 95 41.105 -1.131 -31.331 1.00 0.00 H new ATOM 0 HD22 LEU A 95 39.967 -0.731 -30.022 1.00 0.00 H new ATOM 0 HD23 LEU A 95 41.708 -0.425 -29.812 1.00 0.00 H new ATOM 1402 N SER A 96 42.925 -0.875 -25.527 1.00 0.00 N ATOM 1403 CA SER A 96 42.774 -0.418 -24.120 1.00 0.00 C ATOM 1404 C SER A 96 41.625 0.588 -24.020 1.00 0.00 C ATOM 1405 O SER A 96 41.758 1.734 -24.398 1.00 0.00 O ATOM 1406 CB SER A 96 44.104 0.247 -23.774 1.00 0.00 C ATOM 1407 OG SER A 96 43.857 1.435 -23.034 1.00 0.00 O ATOM 0 H SER A 96 43.708 -0.464 -26.036 1.00 0.00 H new ATOM 0 HA SER A 96 42.543 -1.237 -23.438 1.00 0.00 H new ATOM 0 HB2 SER A 96 44.724 -0.435 -23.192 1.00 0.00 H new ATOM 0 HB3 SER A 96 44.655 0.480 -24.685 1.00 0.00 H new ATOM 0 HG SER A 96 44.709 1.864 -22.809 1.00 0.00 H new ATOM 1413 N GLY A 97 40.496 0.167 -23.516 1.00 0.00 N ATOM 1414 CA GLY A 97 39.344 1.104 -23.395 1.00 0.00 C ATOM 1415 C GLY A 97 38.046 0.388 -23.774 1.00 0.00 C ATOM 1416 O GLY A 97 37.377 -0.189 -22.940 1.00 0.00 O ATOM 0 H GLY A 97 40.323 -0.782 -23.184 1.00 0.00 H new ATOM 0 HA2 GLY A 97 39.277 1.481 -22.374 1.00 0.00 H new ATOM 0 HA3 GLY A 97 39.496 1.966 -24.044 1.00 0.00 H new ATOM 1420 N SER A 98 37.680 0.427 -25.026 1.00 0.00 N ATOM 1421 CA SER A 98 36.418 -0.244 -25.454 1.00 0.00 C ATOM 1422 C SER A 98 36.500 -0.645 -26.929 1.00 0.00 C ATOM 1423 O SER A 98 36.700 0.183 -27.793 1.00 0.00 O ATOM 1424 CB SER A 98 35.335 0.809 -25.249 1.00 0.00 C ATOM 1425 OG SER A 98 34.919 0.795 -23.890 1.00 0.00 O ATOM 0 H SER A 98 38.199 0.893 -25.770 1.00 0.00 H new ATOM 0 HA SER A 98 36.222 -1.156 -24.891 1.00 0.00 H new ATOM 0 HB2 SER A 98 35.715 1.795 -25.515 1.00 0.00 H new ATOM 0 HB3 SER A 98 34.487 0.607 -25.903 1.00 0.00 H new ATOM 0 HG SER A 98 35.600 0.350 -23.344 1.00 0.00 H new ATOM 1431 N SER A 99 36.345 -1.907 -27.222 1.00 0.00 N ATOM 1432 CA SER A 99 36.416 -2.358 -28.644 1.00 0.00 C ATOM 1433 C SER A 99 35.133 -1.983 -29.390 1.00 0.00 C ATOM 1434 O SER A 99 35.028 -2.157 -30.587 1.00 0.00 O ATOM 1435 CB SER A 99 36.568 -3.877 -28.569 1.00 0.00 C ATOM 1436 OG SER A 99 35.281 -4.480 -28.593 1.00 0.00 O ATOM 0 H SER A 99 36.172 -2.646 -26.540 1.00 0.00 H new ATOM 0 HA SER A 99 37.240 -1.890 -29.182 1.00 0.00 H new ATOM 0 HB2 SER A 99 37.166 -4.236 -29.407 1.00 0.00 H new ATOM 0 HB3 SER A 99 37.096 -4.157 -27.657 1.00 0.00 H new ATOM 0 HG SER A 99 35.375 -5.454 -28.547 1.00 0.00 H new ATOM 1442 N SER A 100 34.157 -1.466 -28.698 1.00 0.00 N ATOM 1443 CA SER A 100 32.888 -1.079 -29.379 1.00 0.00 C ATOM 1444 C SER A 100 32.395 0.264 -28.840 1.00 0.00 C ATOM 1445 O SER A 100 32.144 0.416 -27.661 1.00 0.00 O ATOM 1446 CB SER A 100 31.897 -2.191 -29.041 1.00 0.00 C ATOM 1447 OG SER A 100 31.472 -2.048 -27.691 1.00 0.00 O ATOM 0 H SER A 100 34.182 -1.295 -27.693 1.00 0.00 H new ATOM 0 HA SER A 100 33.014 -0.965 -30.456 1.00 0.00 H new ATOM 0 HB2 SER A 100 31.039 -2.145 -29.711 1.00 0.00 H new ATOM 0 HB3 SER A 100 32.363 -3.166 -29.186 1.00 0.00 H new ATOM 0 HG SER A 100 31.876 -1.243 -27.304 1.00 0.00 H new ATOM 1453 N SER A 101 32.260 1.242 -29.692 1.00 0.00 N ATOM 1454 CA SER A 101 31.788 2.577 -29.223 1.00 0.00 C ATOM 1455 C SER A 101 30.759 3.153 -30.190 1.00 0.00 C ATOM 1456 O SER A 101 30.597 2.681 -31.297 1.00 0.00 O ATOM 1457 CB SER A 101 33.040 3.451 -29.194 1.00 0.00 C ATOM 1458 OG SER A 101 34.037 2.818 -28.402 1.00 0.00 O ATOM 0 H SER A 101 32.455 1.176 -30.691 1.00 0.00 H new ATOM 0 HA SER A 101 31.304 2.519 -28.248 1.00 0.00 H new ATOM 0 HB2 SER A 101 33.410 3.609 -30.207 1.00 0.00 H new ATOM 0 HB3 SER A 101 32.803 4.433 -28.784 1.00 0.00 H new ATOM 0 HG SER A 101 34.258 3.389 -27.637 1.00 0.00 H new ATOM 1464 N THR A 102 30.062 4.174 -29.780 1.00 0.00 N ATOM 1465 CA THR A 102 29.045 4.783 -30.675 1.00 0.00 C ATOM 1466 C THR A 102 29.179 6.301 -30.677 1.00 0.00 C ATOM 1467 O THR A 102 29.652 6.903 -29.731 1.00 0.00 O ATOM 1468 CB THR A 102 27.694 4.359 -30.102 1.00 0.00 C ATOM 1469 OG1 THR A 102 27.855 3.167 -29.347 1.00 0.00 O ATOM 1470 CG2 THR A 102 26.715 4.113 -31.250 1.00 0.00 C ATOM 0 H THR A 102 30.154 4.612 -28.864 1.00 0.00 H new ATOM 0 HA THR A 102 29.163 4.457 -31.708 1.00 0.00 H new ATOM 0 HB THR A 102 27.305 5.145 -29.455 1.00 0.00 H new ATOM 0 HG1 THR A 102 26.989 2.895 -28.977 1.00 0.00 H new ATOM 0 HG21 THR A 102 25.749 3.810 -30.846 1.00 0.00 H new ATOM 0 HG22 THR A 102 26.595 5.029 -31.829 1.00 0.00 H new ATOM 0 HG23 THR A 102 27.102 3.324 -31.895 1.00 0.00 H new ATOM 1478 N CYS A 103 28.771 6.919 -31.744 1.00 0.00 N ATOM 1479 CA CYS A 103 28.872 8.397 -31.841 1.00 0.00 C ATOM 1480 C CYS A 103 27.689 9.060 -31.146 1.00 0.00 C ATOM 1481 O CYS A 103 26.789 9.550 -31.783 1.00 0.00 O ATOM 1482 CB CYS A 103 28.835 8.680 -33.335 1.00 0.00 C ATOM 1483 SG CYS A 103 30.416 9.379 -33.832 1.00 0.00 S ATOM 0 H CYS A 103 28.368 6.460 -32.561 1.00 0.00 H new ATOM 0 HA CYS A 103 29.772 8.785 -31.364 1.00 0.00 H new ATOM 0 HB2 CYS A 103 28.638 7.762 -33.888 1.00 0.00 H new ATOM 0 HB3 CYS A 103 28.026 9.373 -33.568 1.00 0.00 H new ATOM 1488 N SER A 104 27.685 9.078 -29.846 1.00 0.00 N ATOM 1489 CA SER A 104 26.551 9.709 -29.109 1.00 0.00 C ATOM 1490 C SER A 104 26.354 11.156 -29.542 1.00 0.00 C ATOM 1491 O SER A 104 27.115 11.688 -30.326 1.00 0.00 O ATOM 1492 CB SER A 104 26.952 9.640 -27.637 1.00 0.00 C ATOM 1493 OG SER A 104 25.971 8.903 -26.918 1.00 0.00 O ATOM 0 H SER A 104 28.418 8.683 -29.257 1.00 0.00 H new ATOM 0 HA SER A 104 25.607 9.200 -29.305 1.00 0.00 H new ATOM 0 HB2 SER A 104 27.928 9.165 -27.536 1.00 0.00 H new ATOM 0 HB3 SER A 104 27.043 10.645 -27.225 1.00 0.00 H new ATOM 0 HG SER A 104 25.814 9.328 -26.049 1.00 0.00 H new ATOM 1499 N PRO A 105 25.315 11.738 -29.014 1.00 0.00 N ATOM 1500 CA PRO A 105 24.980 13.133 -29.342 1.00 0.00 C ATOM 1501 C PRO A 105 25.938 14.085 -28.631 1.00 0.00 C ATOM 1502 O PRO A 105 26.090 14.052 -27.425 1.00 0.00 O ATOM 1503 CB PRO A 105 23.549 13.290 -28.849 1.00 0.00 C ATOM 1504 CG PRO A 105 23.379 12.253 -27.785 1.00 0.00 C ATOM 1505 CD PRO A 105 24.370 11.148 -28.062 1.00 0.00 C ATOM 0 HA PRO A 105 25.069 13.365 -30.403 1.00 0.00 H new ATOM 0 HB2 PRO A 105 23.378 14.291 -28.453 1.00 0.00 H new ATOM 0 HB3 PRO A 105 22.836 13.142 -29.660 1.00 0.00 H new ATOM 0 HG2 PRO A 105 23.552 12.684 -26.799 1.00 0.00 H new ATOM 0 HG3 PRO A 105 22.361 11.864 -27.789 1.00 0.00 H new ATOM 0 HD2 PRO A 105 24.873 10.827 -27.150 1.00 0.00 H new ATOM 0 HD3 PRO A 105 23.879 10.270 -28.481 1.00 0.00 H new ATOM 1513 N GLY A 106 26.601 14.914 -29.379 1.00 0.00 N ATOM 1514 CA GLY A 106 27.577 15.858 -28.776 1.00 0.00 C ATOM 1515 C GLY A 106 28.869 15.800 -29.592 1.00 0.00 C ATOM 1516 O GLY A 106 29.721 16.658 -29.480 1.00 0.00 O ATOM 0 H GLY A 106 26.508 14.980 -30.393 1.00 0.00 H new ATOM 0 HA2 GLY A 106 27.174 16.871 -28.774 1.00 0.00 H new ATOM 0 HA3 GLY A 106 27.772 15.591 -27.737 1.00 0.00 H new ATOM 1520 N ASN A 107 29.000 14.782 -30.418 1.00 0.00 N ATOM 1521 CA ASN A 107 30.212 14.609 -31.288 1.00 0.00 C ATOM 1522 C ASN A 107 31.330 13.899 -30.536 1.00 0.00 C ATOM 1523 O ASN A 107 32.118 14.509 -29.840 1.00 0.00 O ATOM 1524 CB ASN A 107 30.656 16.011 -31.728 1.00 0.00 C ATOM 1525 CG ASN A 107 29.434 16.847 -32.114 1.00 0.00 C ATOM 1526 OD1 ASN A 107 28.330 16.344 -32.163 1.00 0.00 O ATOM 1527 ND2 ASN A 107 29.588 18.113 -32.391 1.00 0.00 N ATOM 0 H ASN A 107 28.300 14.048 -30.526 1.00 0.00 H new ATOM 0 HA ASN A 107 29.974 13.990 -32.153 1.00 0.00 H new ATOM 0 HB2 ASN A 107 31.201 16.499 -30.920 1.00 0.00 H new ATOM 0 HB3 ASN A 107 31.339 15.937 -32.574 1.00 0.00 H new ATOM 0 HD21 ASN A 107 28.781 18.681 -32.649 1.00 0.00 H new ATOM 0 HD22 ASN A 107 30.516 18.535 -32.350 1.00 0.00 H new ATOM 1534 N THR A 108 31.409 12.605 -30.687 1.00 0.00 N ATOM 1535 CA THR A 108 32.481 11.836 -30.001 1.00 0.00 C ATOM 1536 C THR A 108 32.359 10.347 -30.302 1.00 0.00 C ATOM 1537 O THR A 108 31.739 9.939 -31.264 1.00 0.00 O ATOM 1538 CB THR A 108 32.280 12.085 -28.510 1.00 0.00 C ATOM 1539 OG1 THR A 108 31.045 12.752 -28.289 1.00 0.00 O ATOM 1540 CG2 THR A 108 33.431 12.941 -28.004 1.00 0.00 C ATOM 0 H THR A 108 30.774 12.047 -31.258 1.00 0.00 H new ATOM 0 HA THR A 108 33.469 12.150 -30.339 1.00 0.00 H new ATOM 0 HB THR A 108 32.259 11.136 -27.975 1.00 0.00 H new ATOM 0 HG1 THR A 108 30.924 12.907 -27.329 1.00 0.00 H new ATOM 0 HG21 THR A 108 33.303 13.129 -26.938 1.00 0.00 H new ATOM 0 HG22 THR A 108 34.373 12.419 -28.170 1.00 0.00 H new ATOM 0 HG23 THR A 108 33.443 13.889 -28.541 1.00 0.00 H new ATOM 1548 N TRP A 109 32.955 9.534 -29.480 1.00 0.00 N ATOM 1549 CA TRP A 109 32.892 8.067 -29.698 1.00 0.00 C ATOM 1550 C TRP A 109 32.918 7.341 -28.351 1.00 0.00 C ATOM 1551 O TRP A 109 33.931 6.818 -27.931 1.00 0.00 O ATOM 1552 CB TRP A 109 34.136 7.752 -30.522 1.00 0.00 C ATOM 1553 CG TRP A 109 33.806 7.907 -31.973 1.00 0.00 C ATOM 1554 CD1 TRP A 109 34.417 8.755 -32.838 1.00 0.00 C ATOM 1555 CD2 TRP A 109 32.788 7.206 -32.738 1.00 0.00 C ATOM 1556 NE1 TRP A 109 33.828 8.618 -34.083 1.00 0.00 N ATOM 1557 CE2 TRP A 109 32.823 7.668 -34.073 1.00 0.00 C ATOM 1558 CE3 TRP A 109 31.845 6.220 -32.400 1.00 0.00 C ATOM 1559 CZ2 TRP A 109 31.951 7.166 -35.043 1.00 0.00 C ATOM 1560 CZ3 TRP A 109 30.967 5.713 -33.369 1.00 0.00 C ATOM 1561 CH2 TRP A 109 31.019 6.184 -34.689 1.00 0.00 C ATOM 0 H TRP A 109 33.487 9.826 -28.660 1.00 0.00 H new ATOM 0 HA TRP A 109 31.981 7.747 -30.204 1.00 0.00 H new ATOM 0 HB2 TRP A 109 34.951 8.422 -30.247 1.00 0.00 H new ATOM 0 HB3 TRP A 109 34.476 6.737 -30.319 1.00 0.00 H new ATOM 0 HD1 TRP A 109 35.228 9.426 -32.595 1.00 0.00 H new ATOM 0 HE1 TRP A 109 34.102 9.153 -34.907 1.00 0.00 H new ATOM 0 HE3 TRP A 109 31.796 5.850 -31.387 1.00 0.00 H new ATOM 0 HZ2 TRP A 109 31.996 7.533 -36.058 1.00 0.00 H new ATOM 0 HZ3 TRP A 109 30.247 4.956 -33.097 1.00 0.00 H new ATOM 0 HH2 TRP A 109 30.341 5.789 -35.431 1.00 0.00 H new ATOM 1572 N LYS A 110 31.805 7.314 -27.668 1.00 0.00 N ATOM 1573 CA LYS A 110 31.756 6.633 -26.342 1.00 0.00 C ATOM 1574 C LYS A 110 31.411 5.147 -26.515 1.00 0.00 C ATOM 1575 O LYS A 110 30.743 4.781 -27.459 1.00 0.00 O ATOM 1576 CB LYS A 110 30.652 7.359 -25.574 1.00 0.00 C ATOM 1577 CG LYS A 110 31.208 8.663 -24.999 1.00 0.00 C ATOM 1578 CD LYS A 110 31.194 8.595 -23.471 1.00 0.00 C ATOM 1579 CE LYS A 110 32.627 8.453 -22.951 1.00 0.00 C ATOM 1580 NZ LYS A 110 33.139 9.848 -22.840 1.00 0.00 N ATOM 0 H LYS A 110 30.927 7.735 -27.972 1.00 0.00 H new ATOM 0 HA LYS A 110 32.712 6.671 -25.820 1.00 0.00 H new ATOM 0 HB2 LYS A 110 29.811 7.569 -26.235 1.00 0.00 H new ATOM 0 HB3 LYS A 110 30.275 6.726 -24.771 1.00 0.00 H new ATOM 0 HG2 LYS A 110 32.225 8.826 -25.357 1.00 0.00 H new ATOM 0 HG3 LYS A 110 30.610 9.508 -25.341 1.00 0.00 H new ATOM 0 HD2 LYS A 110 30.735 9.495 -23.061 1.00 0.00 H new ATOM 0 HD3 LYS A 110 30.591 7.750 -23.140 1.00 0.00 H new ATOM 0 HE2 LYS A 110 32.648 7.947 -21.986 1.00 0.00 H new ATOM 0 HE3 LYS A 110 33.238 7.862 -23.634 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 34.118 9.832 -22.489 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 33.114 10.302 -23.775 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 32.543 10.385 -22.178 1.00 0.00 H new ATOM 1594 N PRO A 111 31.872 4.330 -25.597 1.00 0.00 N ATOM 1595 CA PRO A 111 32.689 4.813 -24.450 1.00 0.00 C ATOM 1596 C PRO A 111 34.088 5.231 -24.913 1.00 0.00 C ATOM 1597 O PRO A 111 34.422 5.130 -26.077 1.00 0.00 O ATOM 1598 CB PRO A 111 32.766 3.599 -23.529 1.00 0.00 C ATOM 1599 CG PRO A 111 32.560 2.424 -24.426 1.00 0.00 C ATOM 1600 CD PRO A 111 31.665 2.878 -25.546 1.00 0.00 C ATOM 0 HA PRO A 111 32.260 5.689 -23.965 1.00 0.00 H new ATOM 0 HB2 PRO A 111 33.731 3.546 -23.024 1.00 0.00 H new ATOM 0 HB3 PRO A 111 32.002 3.643 -22.753 1.00 0.00 H new ATOM 0 HG2 PRO A 111 33.512 2.064 -24.815 1.00 0.00 H new ATOM 0 HG3 PRO A 111 32.106 1.597 -23.880 1.00 0.00 H new ATOM 0 HD2 PRO A 111 31.933 2.403 -26.490 1.00 0.00 H new ATOM 0 HD3 PRO A 111 30.622 2.630 -25.350 1.00 0.00 H new ATOM 1608 N GLU A 112 34.894 5.716 -24.005 1.00 0.00 N ATOM 1609 CA GLU A 112 36.273 6.166 -24.369 1.00 0.00 C ATOM 1610 C GLU A 112 36.872 5.272 -25.459 1.00 0.00 C ATOM 1611 O GLU A 112 37.121 4.101 -25.250 1.00 0.00 O ATOM 1612 CB GLU A 112 37.083 6.048 -23.077 1.00 0.00 C ATOM 1613 CG GLU A 112 37.568 7.435 -22.649 1.00 0.00 C ATOM 1614 CD GLU A 112 39.066 7.563 -22.932 1.00 0.00 C ATOM 1615 OE1 GLU A 112 39.705 6.538 -23.104 1.00 0.00 O ATOM 1616 OE2 GLU A 112 39.548 8.683 -22.973 1.00 0.00 O ATOM 0 H GLU A 112 34.655 5.821 -23.019 1.00 0.00 H new ATOM 0 HA GLU A 112 36.274 7.181 -24.766 1.00 0.00 H new ATOM 0 HB2 GLU A 112 36.471 5.607 -22.291 1.00 0.00 H new ATOM 0 HB3 GLU A 112 37.934 5.384 -23.228 1.00 0.00 H new ATOM 0 HG2 GLU A 112 37.018 8.206 -23.188 1.00 0.00 H new ATOM 0 HG3 GLU A 112 37.373 7.588 -21.587 1.00 0.00 H new ATOM 1623 N LEU A 113 37.107 5.824 -26.620 1.00 0.00 N ATOM 1624 CA LEU A 113 37.693 5.022 -27.734 1.00 0.00 C ATOM 1625 C LEU A 113 38.782 4.093 -27.199 1.00 0.00 C ATOM 1626 O LEU A 113 39.534 4.459 -26.317 1.00 0.00 O ATOM 1627 CB LEU A 113 38.300 6.059 -28.681 1.00 0.00 C ATOM 1628 CG LEU A 113 37.950 5.708 -30.128 1.00 0.00 C ATOM 1629 CD1 LEU A 113 36.430 5.649 -30.286 1.00 0.00 C ATOM 1630 CD2 LEU A 113 38.516 6.783 -31.058 1.00 0.00 C ATOM 0 H LEU A 113 36.917 6.800 -26.846 1.00 0.00 H new ATOM 0 HA LEU A 113 36.952 4.394 -28.228 1.00 0.00 H new ATOM 0 HB2 LEU A 113 37.923 7.052 -28.437 1.00 0.00 H new ATOM 0 HB3 LEU A 113 39.382 6.089 -28.556 1.00 0.00 H new ATOM 0 HG LEU A 113 38.379 4.739 -30.383 1.00 0.00 H new ATOM 0 HD11 LEU A 113 36.181 5.399 -31.317 1.00 0.00 H new ATOM 0 HD12 LEU A 113 36.024 4.888 -29.620 1.00 0.00 H new ATOM 0 HD13 LEU A 113 36.000 6.618 -30.034 1.00 0.00 H new ATOM 0 HD21 LEU A 113 38.269 6.537 -32.091 1.00 0.00 H new ATOM 0 HD22 LEU A 113 38.084 7.750 -30.802 1.00 0.00 H new ATOM 0 HD23 LEU A 113 39.599 6.828 -30.945 1.00 0.00 H new ATOM 1642 N PRO A 114 38.835 2.919 -27.761 1.00 0.00 N ATOM 1643 CA PRO A 114 39.849 1.925 -27.343 1.00 0.00 C ATOM 1644 C PRO A 114 41.240 2.363 -27.804 1.00 0.00 C ATOM 1645 O PRO A 114 41.381 3.234 -28.640 1.00 0.00 O ATOM 1646 CB PRO A 114 39.418 0.650 -28.062 1.00 0.00 C ATOM 1647 CG PRO A 114 38.622 1.119 -29.239 1.00 0.00 C ATOM 1648 CD PRO A 114 37.965 2.410 -28.828 1.00 0.00 C ATOM 0 HA PRO A 114 39.908 1.800 -26.262 1.00 0.00 H new ATOM 0 HB2 PRO A 114 40.281 0.064 -28.378 1.00 0.00 H new ATOM 0 HB3 PRO A 114 38.821 0.012 -27.410 1.00 0.00 H new ATOM 0 HG2 PRO A 114 39.265 1.271 -30.106 1.00 0.00 H new ATOM 0 HG3 PRO A 114 37.875 0.377 -29.522 1.00 0.00 H new ATOM 0 HD2 PRO A 114 37.902 3.110 -29.661 1.00 0.00 H new ATOM 0 HD3 PRO A 114 36.948 2.246 -28.471 1.00 0.00 H new ATOM 1656 N LYS A 115 42.267 1.763 -27.274 1.00 0.00 N ATOM 1657 CA LYS A 115 43.646 2.140 -27.692 1.00 0.00 C ATOM 1658 C LYS A 115 44.431 0.889 -28.084 1.00 0.00 C ATOM 1659 O LYS A 115 44.880 0.144 -27.239 1.00 0.00 O ATOM 1660 CB LYS A 115 44.269 2.805 -26.465 1.00 0.00 C ATOM 1661 CG LYS A 115 45.753 3.068 -26.730 1.00 0.00 C ATOM 1662 CD LYS A 115 46.272 4.123 -25.753 1.00 0.00 C ATOM 1663 CE LYS A 115 47.802 4.100 -25.748 1.00 0.00 C ATOM 1664 NZ LYS A 115 48.203 5.310 -24.979 1.00 0.00 N ATOM 0 H LYS A 115 42.212 1.028 -26.569 1.00 0.00 H new ATOM 0 HA LYS A 115 43.651 2.805 -28.556 1.00 0.00 H new ATOM 0 HB2 LYS A 115 43.756 3.741 -26.245 1.00 0.00 H new ATOM 0 HB3 LYS A 115 44.152 2.164 -25.591 1.00 0.00 H new ATOM 0 HG2 LYS A 115 46.321 2.145 -26.619 1.00 0.00 H new ATOM 0 HG3 LYS A 115 45.894 3.408 -27.756 1.00 0.00 H new ATOM 0 HD2 LYS A 115 45.913 5.111 -26.042 1.00 0.00 H new ATOM 0 HD3 LYS A 115 45.891 3.926 -24.751 1.00 0.00 H new ATOM 0 HE2 LYS A 115 48.182 3.191 -25.280 1.00 0.00 H new ATOM 0 HE3 LYS A 115 48.200 4.127 -26.762 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 49.241 5.363 -24.932 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 47.834 6.160 -25.451 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 47.815 5.253 -24.016 1.00 0.00 H new ATOM 1678 N CYS A 116 44.606 0.648 -29.358 1.00 0.00 N ATOM 1679 CA CYS A 116 45.369 -0.559 -29.774 1.00 0.00 C ATOM 1680 C CYS A 116 46.764 -0.500 -29.165 1.00 0.00 C ATOM 1681 O CYS A 116 47.704 -0.008 -29.758 1.00 0.00 O ATOM 1682 CB CYS A 116 45.418 -0.504 -31.303 1.00 0.00 C ATOM 1683 SG CYS A 116 45.522 -2.176 -32.004 1.00 0.00 S ATOM 0 H CYS A 116 44.256 1.230 -30.119 1.00 0.00 H new ATOM 0 HA CYS A 116 44.912 -1.490 -29.438 1.00 0.00 H new ATOM 0 HB2 CYS A 116 44.529 -0.000 -31.682 1.00 0.00 H new ATOM 0 HB3 CYS A 116 46.278 0.084 -31.623 1.00 0.00 H new ATOM 1688 N VAL A 117 46.888 -0.994 -27.971 1.00 0.00 N ATOM 1689 CA VAL A 117 48.206 -0.974 -27.278 1.00 0.00 C ATOM 1690 C VAL A 117 48.937 -2.284 -27.474 1.00 0.00 C ATOM 1691 O VAL A 117 48.452 -3.196 -28.113 1.00 0.00 O ATOM 1692 CB VAL A 117 47.914 -0.765 -25.789 1.00 0.00 C ATOM 1693 CG1 VAL A 117 47.820 0.720 -25.523 1.00 0.00 C ATOM 1694 CG2 VAL A 117 46.595 -1.429 -25.381 1.00 0.00 C ATOM 0 H VAL A 117 46.128 -1.416 -27.438 1.00 0.00 H new ATOM 0 HA VAL A 117 48.838 -0.182 -27.680 1.00 0.00 H new ATOM 0 HB VAL A 117 48.717 -1.218 -25.208 1.00 0.00 H new ATOM 0 HG11 VAL A 117 47.612 0.888 -24.466 1.00 0.00 H new ATOM 0 HG12 VAL A 117 48.763 1.197 -25.788 1.00 0.00 H new ATOM 0 HG13 VAL A 117 47.016 1.147 -26.123 1.00 0.00 H new ATOM 0 HG21 VAL A 117 46.417 -1.262 -24.319 1.00 0.00 H new ATOM 0 HG22 VAL A 117 45.777 -0.998 -25.958 1.00 0.00 H new ATOM 0 HG23 VAL A 117 46.651 -2.500 -25.576 1.00 0.00 H new ATOM 1704 N ARG A 118 50.105 -2.384 -26.922 1.00 0.00 N ATOM 1705 CA ARG A 118 50.870 -3.638 -27.070 1.00 0.00 C ATOM 1706 C ARG A 118 51.391 -4.105 -25.709 1.00 0.00 C ATOM 1707 O ARG A 118 51.395 -5.303 -25.477 1.00 0.00 O ATOM 1708 CB ARG A 118 52.029 -3.297 -28.009 1.00 0.00 C ATOM 1709 CG ARG A 118 52.616 -1.936 -27.626 1.00 0.00 C ATOM 1710 CD ARG A 118 53.859 -1.655 -28.473 1.00 0.00 C ATOM 1711 NE ARG A 118 53.347 -0.960 -29.687 1.00 0.00 N ATOM 1712 CZ ARG A 118 53.638 0.296 -29.891 1.00 0.00 C ATOM 1713 NH1 ARG A 118 54.782 0.622 -30.426 1.00 0.00 N ATOM 1714 NH2 ARG A 118 52.785 1.227 -29.562 1.00 0.00 N ATOM 1715 OXT ARG A 118 51.778 -3.256 -24.922 1.00 0.00 O ATOM 0 H ARG A 118 50.561 -1.653 -26.376 1.00 0.00 H new ATOM 0 HA ARG A 118 50.258 -4.448 -27.467 1.00 0.00 H new ATOM 0 HB2 ARG A 118 52.798 -4.067 -27.948 1.00 0.00 H new ATOM 0 HB3 ARG A 118 51.680 -3.276 -29.041 1.00 0.00 H new ATOM 0 HG2 ARG A 118 51.874 -1.153 -27.780 1.00 0.00 H new ATOM 0 HG3 ARG A 118 52.875 -1.926 -26.567 1.00 0.00 H new ATOM 0 HD2 ARG A 118 54.573 -1.033 -27.933 1.00 0.00 H new ATOM 0 HD3 ARG A 118 54.376 -2.578 -28.735 1.00 0.00 H new ATOM 0 HE ARG A 118 52.769 -1.465 -30.359 1.00 0.00 H new ATOM 0 HH11 ARG A 118 55.449 -0.105 -30.685 1.00 0.00 H new ATOM 0 HH12 ARG A 118 55.009 1.604 -30.585 1.00 0.00 H new ATOM 0 HH21 ARG A 118 51.889 0.974 -29.145 1.00 0.00 H new ATOM 0 HH22 ARG A 118 53.014 2.208 -29.722 1.00 0.00 H new TER 1729 ARG A 118