USER MOD reduce.3.24.130724 H: found=0, std=0, add=726, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 722 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 66 HIS : no HE2:sc= -3.88 K(o=-4.4,f=-8.6!) USER MOD Set 1.2: A 70 GLN : amide:sc= -0.562 K(o=-4.4,f=-3.7) USER MOD Set 2.1: A 55 SER OG : rot 180:sc= -1.37 USER MOD Set 2.2: A 60 SER OG : rot 180:sc= 0 USER MOD Set 3.1: A 22 GLN : amide:sc= -0.0989 K(o=-0.38,f=-5.3!) USER MOD Set 3.2: A 29 MET CE :methyl 134:sc= -0.199 (180deg=0) USER MOD Set 3.3: A 32 THR OG1 : rot 141:sc= -0.0845 USER MOD Single : A 1 GLY N :NH3+ -132:sc= 0.07 (180deg=0) USER MOD Single : A 2 SER OG : rot 5:sc= 0.449 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= -0.0324 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 ASN : amide:sc=-0.00492 X(o=-0.0049,f=-0.18) USER MOD Single : A 34 SER OG : rot 160:sc= -3.06! USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 SER OG : rot 59:sc= 0.404 USER MOD Single : A 44 GLN : amide:sc= 0 K(o=0,f=0.53) USER MOD Single : A 46 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 62 GLN : amide:sc= -0.324 K(o=-0.32,f=-1.7!) USER MOD Single : A 64 MET CE :methyl -161:sc= 0 (180deg=-0.457) USER MOD Single : A 65 THR OG1 : rot 180:sc= -1.2 USER MOD Single : A 71 ASN : amide:sc= -4.72! C(o=-4.7!,f=-3.5!) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 CYS SG : rot 167:sc= -0.631 USER MOD Single : A 77 THR OG1 : rot 180:sc= -0.1 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 81 ASN : amide:sc= -0.0545 X(o=-0.054,f=0) USER MOD Single : A 82 MET CE :methyl -121:sc= -4.16! (180deg=-4.42!) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -9.856 -18.440 11.326 1.00 0.00 N ATOM 2 CA GLY A 1 -9.353 -17.750 12.503 1.00 0.00 C ATOM 3 C GLY A 1 -10.214 -18.061 13.729 1.00 0.00 C ATOM 4 O GLY A 1 -10.859 -19.106 13.791 1.00 0.00 O ATOM 0 H1 GLY A 1 -9.069 -18.914 10.839 1.00 0.00 H new ATOM 0 H2 GLY A 1 -10.562 -19.147 11.614 1.00 0.00 H new ATOM 0 H3 GLY A 1 -10.297 -17.752 10.683 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -8.322 -18.050 12.692 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -9.344 -16.675 12.323 1.00 0.00 H new ATOM 8 N SER A 2 -10.195 -17.133 14.675 1.00 0.00 N ATOM 9 CA SER A 2 -10.965 -17.295 15.897 1.00 0.00 C ATOM 10 C SER A 2 -11.322 -15.924 16.475 1.00 0.00 C ATOM 11 O SER A 2 -12.496 -15.617 16.675 1.00 0.00 O ATOM 12 CB SER A 2 -10.195 -18.122 16.928 1.00 0.00 C ATOM 13 OG SER A 2 -10.074 -19.486 16.536 1.00 0.00 O ATOM 0 H SER A 2 -9.659 -16.267 14.620 1.00 0.00 H new ATOM 0 HA SER A 2 -11.883 -17.831 15.655 1.00 0.00 H new ATOM 0 HB2 SER A 2 -9.202 -17.695 17.066 1.00 0.00 H new ATOM 0 HB3 SER A 2 -10.703 -18.065 17.891 1.00 0.00 H new ATOM 0 HG SER A 2 -10.445 -19.602 15.636 1.00 0.00 H new ATOM 19 N SER A 3 -10.287 -15.136 16.728 1.00 0.00 N ATOM 20 CA SER A 3 -10.476 -13.805 17.279 1.00 0.00 C ATOM 21 C SER A 3 -9.587 -12.802 16.543 1.00 0.00 C ATOM 22 O SER A 3 -8.455 -13.119 16.181 1.00 0.00 O ATOM 23 CB SER A 3 -10.173 -13.782 18.779 1.00 0.00 C ATOM 24 OG SER A 3 -11.081 -14.593 19.520 1.00 0.00 O ATOM 0 H SER A 3 -9.314 -15.394 16.561 1.00 0.00 H new ATOM 0 HA SER A 3 -11.520 -13.524 17.142 1.00 0.00 H new ATOM 0 HB2 SER A 3 -9.154 -14.131 18.948 1.00 0.00 H new ATOM 0 HB3 SER A 3 -10.223 -12.756 19.143 1.00 0.00 H new ATOM 0 HG SER A 3 -10.853 -14.553 20.472 1.00 0.00 H new ATOM 30 N GLY A 4 -10.133 -11.611 16.342 1.00 0.00 N ATOM 31 CA GLY A 4 -9.403 -10.559 15.655 1.00 0.00 C ATOM 32 C GLY A 4 -10.086 -9.204 15.845 1.00 0.00 C ATOM 33 O GLY A 4 -11.233 -9.139 16.287 1.00 0.00 O ATOM 0 H GLY A 4 -11.072 -11.352 16.643 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -8.382 -10.512 16.035 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -9.337 -10.791 14.592 1.00 0.00 H new ATOM 37 N SER A 5 -9.354 -8.154 15.502 1.00 0.00 N ATOM 38 CA SER A 5 -9.875 -6.804 15.629 1.00 0.00 C ATOM 39 C SER A 5 -8.999 -5.829 14.840 1.00 0.00 C ATOM 40 O SER A 5 -9.485 -5.133 13.950 1.00 0.00 O ATOM 41 CB SER A 5 -9.953 -6.380 17.097 1.00 0.00 C ATOM 42 OG SER A 5 -8.717 -6.582 17.777 1.00 0.00 O ATOM 0 H SER A 5 -8.404 -8.211 15.136 1.00 0.00 H new ATOM 0 HA SER A 5 -10.885 -6.787 15.220 1.00 0.00 H new ATOM 0 HB2 SER A 5 -10.232 -5.328 17.156 1.00 0.00 H new ATOM 0 HB3 SER A 5 -10.739 -6.947 17.597 1.00 0.00 H new ATOM 0 HG SER A 5 -8.807 -6.298 18.711 1.00 0.00 H new ATOM 48 N SER A 6 -7.723 -5.809 15.195 1.00 0.00 N ATOM 49 CA SER A 6 -6.775 -4.931 14.532 1.00 0.00 C ATOM 50 C SER A 6 -5.345 -5.313 14.921 1.00 0.00 C ATOM 51 O SER A 6 -5.140 -6.158 15.792 1.00 0.00 O ATOM 52 CB SER A 6 -7.045 -3.465 14.879 1.00 0.00 C ATOM 53 OG SER A 6 -6.448 -3.091 16.118 1.00 0.00 O ATOM 0 H SER A 6 -7.323 -6.387 15.934 1.00 0.00 H new ATOM 0 HA SER A 6 -6.896 -5.050 13.455 1.00 0.00 H new ATOM 0 HB2 SER A 6 -6.659 -2.827 14.084 1.00 0.00 H new ATOM 0 HB3 SER A 6 -8.121 -3.297 14.929 1.00 0.00 H new ATOM 0 HG SER A 6 -6.642 -2.148 16.303 1.00 0.00 H new ATOM 59 N GLY A 7 -4.394 -4.674 14.258 1.00 0.00 N ATOM 60 CA GLY A 7 -2.990 -4.936 14.524 1.00 0.00 C ATOM 61 C GLY A 7 -2.097 -4.247 13.489 1.00 0.00 C ATOM 62 O GLY A 7 -2.430 -4.208 12.306 1.00 0.00 O ATOM 0 H GLY A 7 -4.568 -3.975 13.536 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -2.734 -4.583 15.523 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -2.808 -6.011 14.509 1.00 0.00 H new ATOM 66 N SER A 8 -0.982 -3.722 13.974 1.00 0.00 N ATOM 67 CA SER A 8 -0.039 -3.036 13.106 1.00 0.00 C ATOM 68 C SER A 8 1.115 -3.973 12.743 1.00 0.00 C ATOM 69 O SER A 8 1.417 -4.907 13.484 1.00 0.00 O ATOM 70 CB SER A 8 0.497 -1.766 13.769 1.00 0.00 C ATOM 71 OG SER A 8 0.847 -1.983 15.133 1.00 0.00 O ATOM 0 H SER A 8 -0.710 -3.757 14.956 1.00 0.00 H new ATOM 0 HA SER A 8 -0.562 -2.744 12.195 1.00 0.00 H new ATOM 0 HB2 SER A 8 1.371 -1.413 13.222 1.00 0.00 H new ATOM 0 HB3 SER A 8 -0.256 -0.980 13.708 1.00 0.00 H new ATOM 0 HG SER A 8 1.186 -1.149 15.520 1.00 0.00 H new ATOM 77 N VAL A 9 1.728 -3.691 11.603 1.00 0.00 N ATOM 78 CA VAL A 9 2.842 -4.496 11.133 1.00 0.00 C ATOM 79 C VAL A 9 4.074 -3.605 10.963 1.00 0.00 C ATOM 80 O VAL A 9 3.953 -2.386 10.854 1.00 0.00 O ATOM 81 CB VAL A 9 2.452 -5.230 9.848 1.00 0.00 C ATOM 82 CG1 VAL A 9 1.542 -4.362 8.976 1.00 0.00 C ATOM 83 CG2 VAL A 9 3.694 -5.675 9.072 1.00 0.00 C ATOM 0 H VAL A 9 1.474 -2.916 10.991 1.00 0.00 H new ATOM 0 HA VAL A 9 3.095 -5.263 11.865 1.00 0.00 H new ATOM 0 HB VAL A 9 1.895 -6.124 10.128 1.00 0.00 H new ATOM 0 HG11 VAL A 9 1.279 -4.907 8.069 1.00 0.00 H new ATOM 0 HG12 VAL A 9 0.634 -4.117 9.528 1.00 0.00 H new ATOM 0 HG13 VAL A 9 2.063 -3.443 8.709 1.00 0.00 H new ATOM 0 HG21 VAL A 9 3.389 -6.194 8.163 1.00 0.00 H new ATOM 0 HG22 VAL A 9 4.290 -4.802 8.808 1.00 0.00 H new ATOM 0 HG23 VAL A 9 4.289 -6.347 9.691 1.00 0.00 H new ATOM 93 N SER A 10 5.232 -4.249 10.944 1.00 0.00 N ATOM 94 CA SER A 10 6.485 -3.530 10.789 1.00 0.00 C ATOM 95 C SER A 10 7.307 -4.149 9.656 1.00 0.00 C ATOM 96 O SER A 10 7.612 -5.340 9.684 1.00 0.00 O ATOM 97 CB SER A 10 7.289 -3.536 12.091 1.00 0.00 C ATOM 98 OG SER A 10 8.615 -3.049 11.902 1.00 0.00 O ATOM 0 H SER A 10 5.329 -5.260 11.033 1.00 0.00 H new ATOM 0 HA SER A 10 6.256 -2.494 10.540 1.00 0.00 H new ATOM 0 HB2 SER A 10 6.780 -2.922 12.834 1.00 0.00 H new ATOM 0 HB3 SER A 10 7.328 -4.550 12.488 1.00 0.00 H new ATOM 0 HG SER A 10 9.095 -3.067 12.756 1.00 0.00 H new ATOM 104 N LEU A 11 7.641 -3.312 8.685 1.00 0.00 N ATOM 105 CA LEU A 11 8.421 -3.761 7.544 1.00 0.00 C ATOM 106 C LEU A 11 9.777 -3.053 7.548 1.00 0.00 C ATOM 107 O LEU A 11 9.870 -1.885 7.922 1.00 0.00 O ATOM 108 CB LEU A 11 7.632 -3.572 6.247 1.00 0.00 C ATOM 109 CG LEU A 11 6.260 -4.248 6.192 1.00 0.00 C ATOM 110 CD1 LEU A 11 5.594 -4.026 4.832 1.00 0.00 C ATOM 111 CD2 LEU A 11 6.367 -5.734 6.542 1.00 0.00 C ATOM 0 H LEU A 11 7.386 -2.325 8.665 1.00 0.00 H new ATOM 0 HA LEU A 11 8.619 -4.830 7.616 1.00 0.00 H new ATOM 0 HB2 LEU A 11 7.495 -2.503 6.080 1.00 0.00 H new ATOM 0 HB3 LEU A 11 8.234 -3.949 5.420 1.00 0.00 H new ATOM 0 HG LEU A 11 5.620 -3.785 6.943 1.00 0.00 H new ATOM 0 HD11 LEU A 11 4.621 -4.516 4.819 1.00 0.00 H new ATOM 0 HD12 LEU A 11 5.464 -2.957 4.661 1.00 0.00 H new ATOM 0 HD13 LEU A 11 6.222 -4.446 4.046 1.00 0.00 H new ATOM 0 HD21 LEU A 11 5.378 -6.191 6.496 1.00 0.00 H new ATOM 0 HD22 LEU A 11 7.029 -6.228 5.831 1.00 0.00 H new ATOM 0 HD23 LEU A 11 6.770 -5.843 7.549 1.00 0.00 H new ATOM 123 N VAL A 12 10.795 -3.790 7.128 1.00 0.00 N ATOM 124 CA VAL A 12 12.142 -3.247 7.078 1.00 0.00 C ATOM 125 C VAL A 12 12.603 -3.171 5.621 1.00 0.00 C ATOM 126 O VAL A 12 12.902 -4.194 5.007 1.00 0.00 O ATOM 127 CB VAL A 12 13.075 -4.082 7.958 1.00 0.00 C ATOM 128 CG1 VAL A 12 14.530 -3.640 7.787 1.00 0.00 C ATOM 129 CG2 VAL A 12 12.650 -4.014 9.426 1.00 0.00 C ATOM 0 H VAL A 12 10.714 -4.759 6.819 1.00 0.00 H new ATOM 0 HA VAL A 12 12.161 -2.233 7.478 1.00 0.00 H new ATOM 0 HB VAL A 12 13.000 -5.121 7.636 1.00 0.00 H new ATOM 0 HG11 VAL A 12 15.172 -4.249 8.423 1.00 0.00 H new ATOM 0 HG12 VAL A 12 14.828 -3.764 6.746 1.00 0.00 H new ATOM 0 HG13 VAL A 12 14.628 -2.592 8.070 1.00 0.00 H new ATOM 0 HG21 VAL A 12 13.329 -4.616 10.030 1.00 0.00 H new ATOM 0 HG22 VAL A 12 12.682 -2.979 9.766 1.00 0.00 H new ATOM 0 HG23 VAL A 12 11.635 -4.399 9.529 1.00 0.00 H new ATOM 139 N GLY A 13 12.646 -1.949 5.110 1.00 0.00 N ATOM 140 CA GLY A 13 13.065 -1.727 3.737 1.00 0.00 C ATOM 141 C GLY A 13 13.153 -0.231 3.427 1.00 0.00 C ATOM 142 O GLY A 13 12.507 0.582 4.086 1.00 0.00 O ATOM 0 H GLY A 13 12.398 -1.103 5.622 1.00 0.00 H new ATOM 0 HA2 GLY A 13 14.035 -2.195 3.569 1.00 0.00 H new ATOM 0 HA3 GLY A 13 12.359 -2.203 3.056 1.00 0.00 H new ATOM 146 N PRO A 14 13.978 0.095 2.396 1.00 0.00 N ATOM 147 CA PRO A 14 14.158 1.478 1.990 1.00 0.00 C ATOM 148 C PRO A 14 12.939 1.986 1.219 1.00 0.00 C ATOM 149 O PRO A 14 12.861 3.167 0.881 1.00 0.00 O ATOM 150 CB PRO A 14 15.431 1.481 1.158 1.00 0.00 C ATOM 151 CG PRO A 14 15.660 0.037 0.741 1.00 0.00 C ATOM 152 CD PRO A 14 14.759 -0.842 1.593 1.00 0.00 C ATOM 0 HA PRO A 14 14.250 2.157 2.838 1.00 0.00 H new ATOM 0 HB2 PRO A 14 15.326 2.127 0.287 1.00 0.00 H new ATOM 0 HB3 PRO A 14 16.274 1.859 1.736 1.00 0.00 H new ATOM 0 HG2 PRO A 14 15.433 -0.096 -0.317 1.00 0.00 H new ATOM 0 HG3 PRO A 14 16.705 -0.239 0.880 1.00 0.00 H new ATOM 0 HD2 PRO A 14 14.114 -1.466 0.974 1.00 0.00 H new ATOM 0 HD3 PRO A 14 15.342 -1.513 2.223 1.00 0.00 H new ATOM 160 N ALA A 15 12.016 1.070 0.963 1.00 0.00 N ATOM 161 CA ALA A 15 10.804 1.411 0.238 1.00 0.00 C ATOM 162 C ALA A 15 10.162 0.132 -0.303 1.00 0.00 C ATOM 163 O ALA A 15 8.968 -0.096 -0.114 1.00 0.00 O ATOM 164 CB ALA A 15 11.136 2.411 -0.871 1.00 0.00 C ATOM 0 H ALA A 15 12.083 0.092 1.245 1.00 0.00 H new ATOM 0 HA ALA A 15 10.082 1.888 0.901 1.00 0.00 H new ATOM 0 HB1 ALA A 15 10.227 2.667 -1.415 1.00 0.00 H new ATOM 0 HB2 ALA A 15 11.562 3.313 -0.432 1.00 0.00 H new ATOM 0 HB3 ALA A 15 11.857 1.967 -1.558 1.00 0.00 H new ATOM 170 N PRO A 16 11.004 -0.690 -0.984 1.00 0.00 N ATOM 171 CA PRO A 16 10.532 -1.940 -1.554 1.00 0.00 C ATOM 172 C PRO A 16 10.325 -2.996 -0.465 1.00 0.00 C ATOM 173 O PRO A 16 11.161 -3.880 -0.286 1.00 0.00 O ATOM 174 CB PRO A 16 11.591 -2.335 -2.570 1.00 0.00 C ATOM 175 CG PRO A 16 12.836 -1.544 -2.203 1.00 0.00 C ATOM 176 CD PRO A 16 12.424 -0.453 -1.228 1.00 0.00 C ATOM 0 HA PRO A 16 9.557 -1.842 -2.032 1.00 0.00 H new ATOM 0 HB2 PRO A 16 11.785 -3.407 -2.535 1.00 0.00 H new ATOM 0 HB3 PRO A 16 11.265 -2.103 -3.584 1.00 0.00 H new ATOM 0 HG2 PRO A 16 13.584 -2.196 -1.752 1.00 0.00 H new ATOM 0 HG3 PRO A 16 13.288 -1.109 -3.094 1.00 0.00 H new ATOM 0 HD2 PRO A 16 12.999 -0.510 -0.304 1.00 0.00 H new ATOM 0 HD3 PRO A 16 12.593 0.538 -1.648 1.00 0.00 H new ATOM 184 N TRP A 17 9.206 -2.868 0.232 1.00 0.00 N ATOM 185 CA TRP A 17 8.878 -3.800 1.298 1.00 0.00 C ATOM 186 C TRP A 17 8.470 -5.128 0.657 1.00 0.00 C ATOM 187 O TRP A 17 8.572 -6.181 1.283 1.00 0.00 O ATOM 188 CB TRP A 17 7.800 -3.224 2.218 1.00 0.00 C ATOM 189 CG TRP A 17 7.868 -1.705 2.382 1.00 0.00 C ATOM 190 CD1 TRP A 17 7.280 -0.766 1.627 1.00 0.00 C ATOM 191 CD2 TRP A 17 8.592 -0.981 3.399 1.00 0.00 C ATOM 192 NE1 TRP A 17 7.571 0.504 2.081 1.00 0.00 N ATOM 193 CE2 TRP A 17 8.394 0.369 3.193 1.00 0.00 C ATOM 194 CE3 TRP A 17 9.388 -1.452 4.458 1.00 0.00 C ATOM 195 CZ2 TRP A 17 8.958 1.359 4.006 1.00 0.00 C ATOM 196 CZ3 TRP A 17 9.945 -0.449 5.261 1.00 0.00 C ATOM 197 CH2 TRP A 17 9.755 0.914 5.068 1.00 0.00 C ATOM 0 H TRP A 17 8.515 -2.133 0.080 1.00 0.00 H new ATOM 0 HA TRP A 17 9.743 -3.974 1.937 1.00 0.00 H new ATOM 0 HB2 TRP A 17 6.820 -3.493 1.825 1.00 0.00 H new ATOM 0 HB3 TRP A 17 7.888 -3.689 3.200 1.00 0.00 H new ATOM 0 HD1 TRP A 17 6.657 -0.977 0.771 1.00 0.00 H new ATOM 0 HE1 TRP A 17 7.243 1.380 1.675 1.00 0.00 H new ATOM 0 HE3 TRP A 17 9.556 -2.504 4.638 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 8.788 2.410 3.824 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 10.566 -0.757 6.089 1.00 0.00 H new ATOM 0 HH2 TRP A 17 10.220 1.626 5.734 1.00 0.00 H new ATOM 208 N GLY A 18 8.016 -5.034 -0.584 1.00 0.00 N ATOM 209 CA GLY A 18 7.592 -6.215 -1.318 1.00 0.00 C ATOM 210 C GLY A 18 6.067 -6.279 -1.419 1.00 0.00 C ATOM 211 O GLY A 18 5.493 -7.361 -1.523 1.00 0.00 O ATOM 0 H GLY A 18 7.932 -4.158 -1.100 1.00 0.00 H new ATOM 0 HA2 GLY A 18 8.026 -6.202 -2.318 1.00 0.00 H new ATOM 0 HA3 GLY A 18 7.965 -7.110 -0.821 1.00 0.00 H new ATOM 215 N PHE A 19 5.454 -5.104 -1.386 1.00 0.00 N ATOM 216 CA PHE A 19 4.007 -5.013 -1.473 1.00 0.00 C ATOM 217 C PHE A 19 3.580 -3.717 -2.166 1.00 0.00 C ATOM 218 O PHE A 19 4.217 -2.679 -1.996 1.00 0.00 O ATOM 219 CB PHE A 19 3.471 -5.012 -0.040 1.00 0.00 C ATOM 220 CG PHE A 19 3.549 -3.649 0.652 1.00 0.00 C ATOM 221 CD1 PHE A 19 2.763 -2.624 0.225 1.00 0.00 C ATOM 222 CD2 PHE A 19 4.403 -3.463 1.693 1.00 0.00 C ATOM 223 CE1 PHE A 19 2.835 -1.360 0.867 1.00 0.00 C ATOM 224 CE2 PHE A 19 4.475 -2.198 2.335 1.00 0.00 C ATOM 225 CZ PHE A 19 3.690 -1.173 1.908 1.00 0.00 C ATOM 0 H PHE A 19 5.934 -4.208 -1.300 1.00 0.00 H new ATOM 0 HA PHE A 19 3.616 -5.849 -2.052 1.00 0.00 H new ATOM 0 HB2 PHE A 19 2.433 -5.344 -0.051 1.00 0.00 H new ATOM 0 HB3 PHE A 19 4.032 -5.739 0.547 1.00 0.00 H new ATOM 0 HD1 PHE A 19 2.084 -2.772 -0.602 1.00 0.00 H new ATOM 0 HD2 PHE A 19 5.027 -4.277 2.032 1.00 0.00 H new ATOM 0 HE1 PHE A 19 2.211 -0.546 0.529 1.00 0.00 H new ATOM 0 HE2 PHE A 19 5.153 -2.050 3.162 1.00 0.00 H new ATOM 0 HZ PHE A 19 3.745 -0.211 2.395 1.00 0.00 H new ATOM 235 N ARG A 20 2.504 -3.821 -2.933 1.00 0.00 N ATOM 236 CA ARG A 20 1.984 -2.670 -3.652 1.00 0.00 C ATOM 237 C ARG A 20 0.639 -2.240 -3.064 1.00 0.00 C ATOM 238 O ARG A 20 0.021 -2.987 -2.307 1.00 0.00 O ATOM 239 CB ARG A 20 1.806 -2.984 -5.139 1.00 0.00 C ATOM 240 CG ARG A 20 3.134 -2.858 -5.889 1.00 0.00 C ATOM 241 CD ARG A 20 3.060 -1.761 -6.953 1.00 0.00 C ATOM 242 NE ARG A 20 2.476 -2.305 -8.200 1.00 0.00 N ATOM 243 CZ ARG A 20 2.011 -1.548 -9.204 1.00 0.00 C ATOM 244 NH1 ARG A 20 2.059 -0.212 -9.113 1.00 0.00 N ATOM 245 NH2 ARG A 20 1.499 -2.128 -10.298 1.00 0.00 N ATOM 0 H ARG A 20 1.979 -4.684 -3.072 1.00 0.00 H new ATOM 0 HA ARG A 20 2.706 -1.860 -3.547 1.00 0.00 H new ATOM 0 HB2 ARG A 20 1.412 -3.994 -5.257 1.00 0.00 H new ATOM 0 HB3 ARG A 20 1.073 -2.304 -5.573 1.00 0.00 H new ATOM 0 HG2 ARG A 20 3.934 -2.633 -5.184 1.00 0.00 H new ATOM 0 HG3 ARG A 20 3.382 -3.810 -6.359 1.00 0.00 H new ATOM 0 HD2 ARG A 20 2.454 -0.931 -6.590 1.00 0.00 H new ATOM 0 HD3 ARG A 20 4.057 -1.366 -7.150 1.00 0.00 H new ATOM 0 HE ARG A 20 2.424 -3.319 -8.302 1.00 0.00 H new ATOM 0 HH11 ARG A 20 2.449 0.229 -8.280 1.00 0.00 H new ATOM 0 HH12 ARG A 20 1.705 0.364 -9.877 1.00 0.00 H new ATOM 0 HH21 ARG A 20 1.463 -3.145 -10.367 1.00 0.00 H new ATOM 0 HH22 ARG A 20 1.145 -1.552 -11.062 1.00 0.00 H new ATOM 259 N LEU A 21 0.225 -1.037 -3.434 1.00 0.00 N ATOM 260 CA LEU A 21 -1.036 -0.498 -2.953 1.00 0.00 C ATOM 261 C LEU A 21 -1.890 -0.067 -4.147 1.00 0.00 C ATOM 262 O LEU A 21 -1.366 0.188 -5.230 1.00 0.00 O ATOM 263 CB LEU A 21 -0.788 0.620 -1.938 1.00 0.00 C ATOM 264 CG LEU A 21 -0.381 0.172 -0.533 1.00 0.00 C ATOM 265 CD1 LEU A 21 -0.160 1.377 0.384 1.00 0.00 C ATOM 266 CD2 LEU A 21 -1.402 -0.810 0.047 1.00 0.00 C ATOM 0 H LEU A 21 0.741 -0.420 -4.062 1.00 0.00 H new ATOM 0 HA LEU A 21 -1.599 -1.263 -2.418 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -0.008 1.273 -2.330 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -1.695 1.219 -1.858 1.00 0.00 H new ATOM 0 HG LEU A 21 0.569 -0.357 -0.605 1.00 0.00 H new ATOM 0 HD11 LEU A 21 0.128 1.031 1.377 1.00 0.00 H new ATOM 0 HD12 LEU A 21 0.631 2.005 -0.025 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -1.082 1.954 0.455 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -1.089 -1.113 1.046 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -2.378 -0.329 0.103 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -1.467 -1.689 -0.595 1.00 0.00 H new ATOM 278 N GLN A 22 -3.192 0.001 -3.908 1.00 0.00 N ATOM 279 CA GLN A 22 -4.124 0.397 -4.950 1.00 0.00 C ATOM 280 C GLN A 22 -5.423 0.916 -4.331 1.00 0.00 C ATOM 281 O GLN A 22 -5.784 0.528 -3.221 1.00 0.00 O ATOM 282 CB GLN A 22 -4.399 -0.763 -5.909 1.00 0.00 C ATOM 283 CG GLN A 22 -5.192 -1.872 -5.216 1.00 0.00 C ATOM 284 CD GLN A 22 -6.088 -2.611 -6.212 1.00 0.00 C ATOM 285 OE1 GLN A 22 -7.298 -2.455 -6.231 1.00 0.00 O ATOM 286 NE2 GLN A 22 -5.429 -3.420 -7.036 1.00 0.00 N ATOM 0 H GLN A 22 -3.623 -0.211 -3.008 1.00 0.00 H new ATOM 0 HA GLN A 22 -3.672 1.203 -5.527 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -4.954 -0.400 -6.774 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -3.456 -1.163 -6.281 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -4.505 -2.577 -4.747 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -5.802 -1.445 -4.420 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -4.415 -3.504 -6.966 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -5.938 -3.957 -7.738 1.00 0.00 H new ATOM 295 N GLY A 23 -6.091 1.785 -5.076 1.00 0.00 N ATOM 296 CA GLY A 23 -7.342 2.361 -4.614 1.00 0.00 C ATOM 297 C GLY A 23 -7.117 3.748 -4.010 1.00 0.00 C ATOM 298 O GLY A 23 -6.140 4.420 -4.336 1.00 0.00 O ATOM 0 H GLY A 23 -5.789 2.104 -5.997 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -8.043 2.432 -5.446 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -7.795 1.706 -3.870 1.00 0.00 H new ATOM 302 N GLY A 24 -8.038 4.137 -3.141 1.00 0.00 N ATOM 303 CA GLY A 24 -7.953 5.432 -2.488 1.00 0.00 C ATOM 304 C GLY A 24 -9.178 6.290 -2.810 1.00 0.00 C ATOM 305 O GLY A 24 -10.099 5.835 -3.487 1.00 0.00 O ATOM 0 H GLY A 24 -8.848 3.577 -2.874 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -7.874 5.295 -1.410 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -7.049 5.947 -2.811 1.00 0.00 H new ATOM 309 N LYS A 25 -9.150 7.517 -2.310 1.00 0.00 N ATOM 310 CA LYS A 25 -10.247 8.442 -2.536 1.00 0.00 C ATOM 311 C LYS A 25 -10.307 8.802 -4.022 1.00 0.00 C ATOM 312 O LYS A 25 -11.370 8.736 -4.638 1.00 0.00 O ATOM 313 CB LYS A 25 -10.122 9.657 -1.613 1.00 0.00 C ATOM 314 CG LYS A 25 -11.477 10.341 -1.421 1.00 0.00 C ATOM 315 CD LYS A 25 -11.500 11.155 -0.126 1.00 0.00 C ATOM 316 CE LYS A 25 -11.699 12.644 -0.417 1.00 0.00 C ATOM 317 NZ LYS A 25 -12.566 13.262 0.611 1.00 0.00 N ATOM 0 H LYS A 25 -8.385 7.892 -1.749 1.00 0.00 H new ATOM 0 HA LYS A 25 -11.198 7.974 -2.282 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -9.728 9.345 -0.646 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -9.409 10.366 -2.034 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -11.682 10.994 -2.269 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -12.267 9.591 -1.398 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -12.302 10.797 0.519 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -10.566 11.009 0.416 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -10.733 13.149 -0.438 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -12.146 12.771 -1.403 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -12.691 14.272 0.398 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -13.493 12.791 0.612 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -12.124 13.157 1.547 1.00 0.00 H new ATOM 331 N ASP A 26 -9.153 9.175 -4.554 1.00 0.00 N ATOM 332 CA ASP A 26 -9.061 9.546 -5.956 1.00 0.00 C ATOM 333 C ASP A 26 -9.488 8.359 -6.822 1.00 0.00 C ATOM 334 O ASP A 26 -9.816 8.528 -7.995 1.00 0.00 O ATOM 335 CB ASP A 26 -7.626 9.916 -6.335 1.00 0.00 C ATOM 336 CG ASP A 26 -7.295 9.783 -7.823 1.00 0.00 C ATOM 337 OD1 ASP A 26 -7.524 10.776 -8.547 1.00 0.00 O ATOM 338 OD2 ASP A 26 -6.820 8.691 -8.204 1.00 0.00 O ATOM 0 H ASP A 26 -8.274 9.228 -4.040 1.00 0.00 H new ATOM 0 HA ASP A 26 -9.710 10.406 -6.121 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -7.439 10.945 -6.027 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -6.942 9.284 -5.768 1.00 0.00 H new ATOM 343 N PHE A 27 -9.468 7.184 -6.210 1.00 0.00 N ATOM 344 CA PHE A 27 -9.849 5.969 -6.910 1.00 0.00 C ATOM 345 C PHE A 27 -11.293 5.579 -6.587 1.00 0.00 C ATOM 346 O PHE A 27 -11.910 4.806 -7.318 1.00 0.00 O ATOM 347 CB PHE A 27 -8.913 4.860 -6.424 1.00 0.00 C ATOM 348 CG PHE A 27 -7.497 4.947 -6.996 1.00 0.00 C ATOM 349 CD1 PHE A 27 -6.756 6.072 -6.811 1.00 0.00 C ATOM 350 CD2 PHE A 27 -6.978 3.898 -7.690 1.00 0.00 C ATOM 351 CE1 PHE A 27 -5.442 6.152 -7.342 1.00 0.00 C ATOM 352 CE2 PHE A 27 -5.664 3.978 -8.221 1.00 0.00 C ATOM 353 CZ PHE A 27 -4.923 5.104 -8.036 1.00 0.00 C ATOM 0 H PHE A 27 -9.194 7.048 -5.237 1.00 0.00 H new ATOM 0 HA PHE A 27 -9.775 6.122 -7.987 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -8.857 4.896 -5.336 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -9.342 3.894 -6.689 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -7.167 6.905 -6.260 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -7.566 3.004 -7.837 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -4.854 7.046 -7.195 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -5.252 3.145 -8.772 1.00 0.00 H new ATOM 0 HZ PHE A 27 -3.923 5.165 -8.440 1.00 0.00 H new ATOM 363 N ASN A 28 -11.790 6.132 -5.490 1.00 0.00 N ATOM 364 CA ASN A 28 -13.149 5.852 -5.061 1.00 0.00 C ATOM 365 C ASN A 28 -13.207 4.454 -4.442 1.00 0.00 C ATOM 366 O ASN A 28 -14.168 3.716 -4.654 1.00 0.00 O ATOM 367 CB ASN A 28 -14.119 5.885 -6.244 1.00 0.00 C ATOM 368 CG ASN A 28 -15.470 6.472 -5.830 1.00 0.00 C ATOM 369 OD1 ASN A 28 -15.562 7.558 -5.283 1.00 0.00 O ATOM 370 ND2 ASN A 28 -16.509 5.695 -6.121 1.00 0.00 N ATOM 0 H ASN A 28 -11.275 6.773 -4.886 1.00 0.00 H new ATOM 0 HA ASN A 28 -13.437 6.614 -4.337 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -13.693 6.480 -7.052 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -14.260 4.876 -6.631 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -17.454 5.998 -5.885 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -16.361 4.796 -6.580 1.00 0.00 H new ATOM 377 N MET A 29 -12.165 4.132 -3.689 1.00 0.00 N ATOM 378 CA MET A 29 -12.084 2.835 -3.038 1.00 0.00 C ATOM 379 C MET A 29 -11.068 2.858 -1.895 1.00 0.00 C ATOM 380 O MET A 29 -10.254 3.776 -1.801 1.00 0.00 O ATOM 381 CB MET A 29 -11.678 1.774 -4.063 1.00 0.00 C ATOM 382 CG MET A 29 -10.155 1.650 -4.149 1.00 0.00 C ATOM 383 SD MET A 29 -9.710 0.446 -5.389 1.00 0.00 S ATOM 384 CE MET A 29 -9.342 -0.953 -4.344 1.00 0.00 C ATOM 0 H MET A 29 -11.370 4.747 -3.515 1.00 0.00 H new ATOM 0 HA MET A 29 -13.063 2.595 -2.623 1.00 0.00 H new ATOM 0 HB2 MET A 29 -12.110 0.812 -3.787 1.00 0.00 H new ATOM 0 HB3 MET A 29 -12.081 2.035 -5.041 1.00 0.00 H new ATOM 0 HG2 MET A 29 -9.716 2.617 -4.395 1.00 0.00 H new ATOM 0 HG3 MET A 29 -9.751 1.354 -3.181 1.00 0.00 H new ATOM 0 HE1 MET A 29 -9.817 -1.846 -4.750 1.00 0.00 H new ATOM 0 HE2 MET A 29 -8.263 -1.103 -4.303 1.00 0.00 H new ATOM 0 HE3 MET A 29 -9.720 -0.766 -3.339 1.00 0.00 H new ATOM 394 N PRO A 30 -11.149 1.810 -1.033 1.00 0.00 N ATOM 395 CA PRO A 30 -10.246 1.701 0.100 1.00 0.00 C ATOM 396 C PRO A 30 -8.851 1.265 -0.351 1.00 0.00 C ATOM 397 O PRO A 30 -8.698 0.656 -1.408 1.00 0.00 O ATOM 398 CB PRO A 30 -10.907 0.701 1.035 1.00 0.00 C ATOM 399 CG PRO A 30 -11.914 -0.059 0.188 1.00 0.00 C ATOM 400 CD PRO A 30 -12.100 0.704 -1.113 1.00 0.00 C ATOM 0 HA PRO A 30 -10.088 2.654 0.605 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -10.170 0.024 1.467 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -11.399 1.208 1.865 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -11.560 -1.071 -0.010 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -12.864 -0.151 0.715 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -11.898 0.070 -1.976 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -13.122 1.067 -1.216 1.00 0.00 H new ATOM 408 N LEU A 31 -7.867 1.595 0.474 1.00 0.00 N ATOM 409 CA LEU A 31 -6.489 1.246 0.173 1.00 0.00 C ATOM 410 C LEU A 31 -6.278 -0.247 0.432 1.00 0.00 C ATOM 411 O LEU A 31 -6.416 -0.711 1.563 1.00 0.00 O ATOM 412 CB LEU A 31 -5.527 2.147 0.949 1.00 0.00 C ATOM 413 CG LEU A 31 -5.545 3.630 0.574 1.00 0.00 C ATOM 414 CD1 LEU A 31 -5.618 4.511 1.822 1.00 0.00 C ATOM 415 CD2 LEU A 31 -4.349 3.987 -0.311 1.00 0.00 C ATOM 0 H LEU A 31 -7.997 2.100 1.350 1.00 0.00 H new ATOM 0 HA LEU A 31 -6.273 1.421 -0.881 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -5.755 2.059 2.011 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -4.514 1.770 0.808 1.00 0.00 H new ATOM 0 HG LEU A 31 -6.446 3.823 -0.009 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -5.629 5.560 1.527 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -6.527 4.280 2.377 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -4.750 4.321 2.453 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -4.386 5.047 -0.563 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -3.424 3.774 0.224 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -4.384 3.395 -1.226 1.00 0.00 H new ATOM 427 N THR A 32 -5.947 -0.959 -0.636 1.00 0.00 N ATOM 428 CA THR A 32 -5.715 -2.390 -0.539 1.00 0.00 C ATOM 429 C THR A 32 -4.328 -2.744 -1.079 1.00 0.00 C ATOM 430 O THR A 32 -3.680 -1.920 -1.722 1.00 0.00 O ATOM 431 CB THR A 32 -6.853 -3.104 -1.271 1.00 0.00 C ATOM 432 OG1 THR A 32 -7.293 -2.155 -2.239 1.00 0.00 O ATOM 433 CG2 THR A 32 -8.078 -3.321 -0.380 1.00 0.00 C ATOM 0 H THR A 32 -5.834 -0.571 -1.573 1.00 0.00 H new ATOM 0 HA THR A 32 -5.719 -2.722 0.499 1.00 0.00 H new ATOM 0 HB THR A 32 -6.498 -4.066 -1.641 1.00 0.00 H new ATOM 0 HG1 THR A 32 -7.506 -2.617 -3.077 1.00 0.00 H new ATOM 0 HG21 THR A 32 -8.856 -3.831 -0.948 1.00 0.00 H new ATOM 0 HG22 THR A 32 -7.799 -3.929 0.480 1.00 0.00 H new ATOM 0 HG23 THR A 32 -8.453 -2.357 -0.036 1.00 0.00 H new ATOM 441 N ILE A 33 -3.914 -3.971 -0.799 1.00 0.00 N ATOM 442 CA ILE A 33 -2.616 -4.444 -1.249 1.00 0.00 C ATOM 443 C ILE A 33 -2.702 -4.825 -2.728 1.00 0.00 C ATOM 444 O ILE A 33 -3.205 -5.894 -3.069 1.00 0.00 O ATOM 445 CB ILE A 33 -2.118 -5.577 -0.350 1.00 0.00 C ATOM 446 CG1 ILE A 33 -1.997 -5.111 1.103 1.00 0.00 C ATOM 447 CG2 ILE A 33 -0.803 -6.157 -0.876 1.00 0.00 C ATOM 448 CD1 ILE A 33 -0.837 -4.128 1.270 1.00 0.00 C ATOM 0 H ILE A 33 -4.455 -4.652 -0.266 1.00 0.00 H new ATOM 0 HA ILE A 33 -1.872 -3.652 -1.166 1.00 0.00 H new ATOM 0 HB ILE A 33 -2.856 -6.379 -0.371 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -2.928 -4.637 1.415 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -1.845 -5.972 1.753 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -0.471 -6.961 -0.219 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -0.955 -6.550 -1.881 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -0.045 -5.374 -0.903 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -0.774 -3.813 2.312 1.00 0.00 H new ATOM 0 HD12 ILE A 33 0.095 -4.613 0.980 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -1.005 -3.257 0.637 1.00 0.00 H new ATOM 460 N SER A 34 -2.203 -3.929 -3.567 1.00 0.00 N ATOM 461 CA SER A 34 -2.217 -4.158 -5.002 1.00 0.00 C ATOM 462 C SER A 34 -1.735 -5.577 -5.310 1.00 0.00 C ATOM 463 O SER A 34 -2.468 -6.372 -5.897 1.00 0.00 O ATOM 464 CB SER A 34 -1.348 -3.132 -5.732 1.00 0.00 C ATOM 465 OG SER A 34 -0.351 -3.754 -6.538 1.00 0.00 O ATOM 0 H SER A 34 -1.786 -3.043 -3.281 1.00 0.00 H new ATOM 0 HA SER A 34 -3.241 -4.044 -5.357 1.00 0.00 H new ATOM 0 HB2 SER A 34 -1.980 -2.502 -6.358 1.00 0.00 H new ATOM 0 HB3 SER A 34 -0.869 -2.478 -5.003 1.00 0.00 H new ATOM 0 HG SER A 34 -0.037 -3.121 -7.217 1.00 0.00 H new ATOM 471 N SER A 35 -0.506 -5.853 -4.899 1.00 0.00 N ATOM 472 CA SER A 35 0.082 -7.162 -5.124 1.00 0.00 C ATOM 473 C SER A 35 1.181 -7.426 -4.093 1.00 0.00 C ATOM 474 O SER A 35 1.454 -6.582 -3.241 1.00 0.00 O ATOM 475 CB SER A 35 0.646 -7.277 -6.542 1.00 0.00 C ATOM 476 OG SER A 35 -0.066 -8.233 -7.323 1.00 0.00 O ATOM 0 H SER A 35 0.099 -5.192 -4.411 1.00 0.00 H new ATOM 0 HA SER A 35 -0.701 -7.912 -5.012 1.00 0.00 H new ATOM 0 HB2 SER A 35 0.601 -6.304 -7.030 1.00 0.00 H new ATOM 0 HB3 SER A 35 1.697 -7.560 -6.492 1.00 0.00 H new ATOM 0 HG SER A 35 0.323 -8.276 -8.222 1.00 0.00 H new ATOM 482 N LEU A 36 1.783 -8.601 -4.204 1.00 0.00 N ATOM 483 CA LEU A 36 2.846 -8.987 -3.292 1.00 0.00 C ATOM 484 C LEU A 36 4.130 -9.233 -4.087 1.00 0.00 C ATOM 485 O LEU A 36 4.098 -9.316 -5.314 1.00 0.00 O ATOM 486 CB LEU A 36 2.413 -10.181 -2.438 1.00 0.00 C ATOM 487 CG LEU A 36 2.081 -9.874 -0.977 1.00 0.00 C ATOM 488 CD1 LEU A 36 3.339 -9.921 -0.107 1.00 0.00 C ATOM 489 CD2 LEU A 36 1.345 -8.539 -0.850 1.00 0.00 C ATOM 0 H LEU A 36 1.555 -9.299 -4.912 1.00 0.00 H new ATOM 0 HA LEU A 36 3.055 -8.181 -2.589 1.00 0.00 H new ATOM 0 HB2 LEU A 36 1.537 -10.635 -2.901 1.00 0.00 H new ATOM 0 HB3 LEU A 36 3.208 -10.926 -2.461 1.00 0.00 H new ATOM 0 HG LEU A 36 1.407 -10.648 -0.610 1.00 0.00 H new ATOM 0 HD11 LEU A 36 3.075 -9.699 0.927 1.00 0.00 H new ATOM 0 HD12 LEU A 36 3.783 -10.915 -0.163 1.00 0.00 H new ATOM 0 HD13 LEU A 36 4.057 -9.182 -0.465 1.00 0.00 H new ATOM 0 HD21 LEU A 36 1.121 -8.345 0.199 1.00 0.00 H new ATOM 0 HD22 LEU A 36 1.973 -7.739 -1.241 1.00 0.00 H new ATOM 0 HD23 LEU A 36 0.415 -8.581 -1.418 1.00 0.00 H new ATOM 501 N LYS A 37 5.229 -9.343 -3.356 1.00 0.00 N ATOM 502 CA LYS A 37 6.521 -9.578 -3.977 1.00 0.00 C ATOM 503 C LYS A 37 7.043 -10.953 -3.556 1.00 0.00 C ATOM 504 O LYS A 37 7.097 -11.262 -2.366 1.00 0.00 O ATOM 505 CB LYS A 37 7.484 -8.432 -3.662 1.00 0.00 C ATOM 506 CG LYS A 37 8.902 -8.761 -4.134 1.00 0.00 C ATOM 507 CD LYS A 37 9.546 -7.554 -4.819 1.00 0.00 C ATOM 508 CE LYS A 37 10.882 -7.935 -5.459 1.00 0.00 C ATOM 509 NZ LYS A 37 11.202 -7.019 -6.577 1.00 0.00 N ATOM 0 H LYS A 37 5.251 -9.274 -2.339 1.00 0.00 H new ATOM 0 HA LYS A 37 6.424 -9.593 -5.063 1.00 0.00 H new ATOM 0 HB2 LYS A 37 7.139 -7.519 -4.146 1.00 0.00 H new ATOM 0 HB3 LYS A 37 7.489 -8.241 -2.589 1.00 0.00 H new ATOM 0 HG2 LYS A 37 9.510 -9.068 -3.283 1.00 0.00 H new ATOM 0 HG3 LYS A 37 8.873 -9.603 -4.825 1.00 0.00 H new ATOM 0 HD2 LYS A 37 8.873 -7.162 -5.581 1.00 0.00 H new ATOM 0 HD3 LYS A 37 9.701 -6.758 -4.091 1.00 0.00 H new ATOM 0 HE2 LYS A 37 11.674 -7.896 -4.711 1.00 0.00 H new ATOM 0 HE3 LYS A 37 10.838 -8.961 -5.823 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 12.112 -7.292 -7.000 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 10.454 -7.076 -7.298 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 11.265 -6.044 -6.220 1.00 0.00 H new ATOM 523 N ASP A 38 7.413 -11.742 -4.554 1.00 0.00 N ATOM 524 CA ASP A 38 7.928 -13.077 -4.301 1.00 0.00 C ATOM 525 C ASP A 38 8.891 -13.031 -3.113 1.00 0.00 C ATOM 526 O ASP A 38 9.944 -12.399 -3.187 1.00 0.00 O ATOM 527 CB ASP A 38 8.696 -13.609 -5.512 1.00 0.00 C ATOM 528 CG ASP A 38 7.831 -13.960 -6.724 1.00 0.00 C ATOM 529 OD1 ASP A 38 6.683 -13.468 -6.763 1.00 0.00 O ATOM 530 OD2 ASP A 38 8.337 -14.713 -7.584 1.00 0.00 O ATOM 0 H ASP A 38 7.366 -11.482 -5.539 1.00 0.00 H new ATOM 0 HA ASP A 38 7.081 -13.732 -4.095 1.00 0.00 H new ATOM 0 HB2 ASP A 38 9.431 -12.863 -5.813 1.00 0.00 H new ATOM 0 HB3 ASP A 38 9.250 -14.498 -5.210 1.00 0.00 H new ATOM 535 N GLY A 39 8.497 -13.709 -2.046 1.00 0.00 N ATOM 536 CA GLY A 39 9.312 -13.754 -0.844 1.00 0.00 C ATOM 537 C GLY A 39 9.603 -12.344 -0.326 1.00 0.00 C ATOM 538 O GLY A 39 10.747 -12.016 -0.017 1.00 0.00 O ATOM 0 H GLY A 39 7.623 -14.232 -1.988 1.00 0.00 H new ATOM 0 HA2 GLY A 39 8.799 -14.330 -0.074 1.00 0.00 H new ATOM 0 HA3 GLY A 39 10.249 -14.269 -1.055 1.00 0.00 H new ATOM 542 N GLY A 40 8.547 -11.547 -0.248 1.00 0.00 N ATOM 543 CA GLY A 40 8.675 -10.180 0.227 1.00 0.00 C ATOM 544 C GLY A 40 8.470 -10.104 1.741 1.00 0.00 C ATOM 545 O GLY A 40 8.219 -11.119 2.389 1.00 0.00 O ATOM 0 H GLY A 40 7.599 -11.822 -0.506 1.00 0.00 H new ATOM 0 HA2 GLY A 40 9.661 -9.793 -0.030 1.00 0.00 H new ATOM 0 HA3 GLY A 40 7.943 -9.547 -0.275 1.00 0.00 H new ATOM 549 N LYS A 41 8.584 -8.891 2.261 1.00 0.00 N ATOM 550 CA LYS A 41 8.415 -8.669 3.687 1.00 0.00 C ATOM 551 C LYS A 41 6.931 -8.779 4.043 1.00 0.00 C ATOM 552 O LYS A 41 6.550 -9.584 4.891 1.00 0.00 O ATOM 553 CB LYS A 41 9.050 -7.340 4.102 1.00 0.00 C ATOM 554 CG LYS A 41 10.575 -7.408 4.004 1.00 0.00 C ATOM 555 CD LYS A 41 11.230 -6.939 5.305 1.00 0.00 C ATOM 556 CE LYS A 41 11.856 -8.114 6.059 1.00 0.00 C ATOM 557 NZ LYS A 41 13.321 -7.937 6.170 1.00 0.00 N ATOM 0 H LYS A 41 8.791 -8.051 1.720 1.00 0.00 H new ATOM 0 HA LYS A 41 8.938 -9.437 4.257 1.00 0.00 H new ATOM 0 HB2 LYS A 41 8.676 -6.539 3.464 1.00 0.00 H new ATOM 0 HB3 LYS A 41 8.758 -7.096 5.124 1.00 0.00 H new ATOM 0 HG2 LYS A 41 10.884 -8.430 3.785 1.00 0.00 H new ATOM 0 HG3 LYS A 41 10.918 -6.788 3.176 1.00 0.00 H new ATOM 0 HD2 LYS A 41 11.996 -6.195 5.083 1.00 0.00 H new ATOM 0 HD3 LYS A 41 10.486 -6.452 5.936 1.00 0.00 H new ATOM 0 HE2 LYS A 41 11.417 -8.191 7.054 1.00 0.00 H new ATOM 0 HE3 LYS A 41 11.635 -9.046 5.540 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 13.730 -8.743 6.684 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 13.738 -7.886 5.218 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 13.526 -7.057 6.685 1.00 0.00 H new ATOM 571 N ALA A 42 6.133 -7.957 3.377 1.00 0.00 N ATOM 572 CA ALA A 42 4.699 -7.952 3.612 1.00 0.00 C ATOM 573 C ALA A 42 4.204 -9.393 3.750 1.00 0.00 C ATOM 574 O ALA A 42 3.634 -9.761 4.776 1.00 0.00 O ATOM 575 CB ALA A 42 3.998 -7.200 2.478 1.00 0.00 C ATOM 0 H ALA A 42 6.452 -7.290 2.675 1.00 0.00 H new ATOM 0 HA ALA A 42 4.464 -7.433 4.541 1.00 0.00 H new ATOM 0 HB1 ALA A 42 2.922 -7.196 2.654 1.00 0.00 H new ATOM 0 HB2 ALA A 42 4.363 -6.174 2.442 1.00 0.00 H new ATOM 0 HB3 ALA A 42 4.208 -7.694 1.529 1.00 0.00 H new ATOM 581 N SER A 43 4.439 -10.168 2.702 1.00 0.00 N ATOM 582 CA SER A 43 4.024 -11.561 2.693 1.00 0.00 C ATOM 583 C SER A 43 4.443 -12.240 3.999 1.00 0.00 C ATOM 584 O SER A 43 3.638 -12.917 4.636 1.00 0.00 O ATOM 585 CB SER A 43 4.616 -12.304 1.494 1.00 0.00 C ATOM 586 OG SER A 43 5.957 -11.904 1.227 1.00 0.00 O ATOM 0 H SER A 43 4.912 -9.858 1.853 1.00 0.00 H new ATOM 0 HA SER A 43 2.938 -11.594 2.606 1.00 0.00 H new ATOM 0 HB2 SER A 43 4.589 -13.377 1.683 1.00 0.00 H new ATOM 0 HB3 SER A 43 4.001 -12.120 0.613 1.00 0.00 H new ATOM 0 HG SER A 43 6.511 -12.070 2.018 1.00 0.00 H new ATOM 592 N GLN A 44 5.702 -12.035 4.357 1.00 0.00 N ATOM 593 CA GLN A 44 6.238 -12.620 5.575 1.00 0.00 C ATOM 594 C GLN A 44 5.535 -12.030 6.800 1.00 0.00 C ATOM 595 O GLN A 44 5.526 -12.641 7.868 1.00 0.00 O ATOM 596 CB GLN A 44 7.752 -12.417 5.661 1.00 0.00 C ATOM 597 CG GLN A 44 8.483 -13.321 4.667 1.00 0.00 C ATOM 598 CD GLN A 44 9.977 -12.992 4.623 1.00 0.00 C ATOM 599 OE1 GLN A 44 10.477 -12.384 3.691 1.00 0.00 O ATOM 600 NE2 GLN A 44 10.658 -13.425 5.680 1.00 0.00 N ATOM 0 H GLN A 44 6.366 -11.472 3.826 1.00 0.00 H new ATOM 0 HA GLN A 44 6.050 -13.693 5.553 1.00 0.00 H new ATOM 0 HB2 GLN A 44 7.995 -11.374 5.457 1.00 0.00 H new ATOM 0 HB3 GLN A 44 8.094 -12.632 6.673 1.00 0.00 H new ATOM 0 HG2 GLN A 44 8.345 -14.365 4.949 1.00 0.00 H new ATOM 0 HG3 GLN A 44 8.051 -13.200 3.674 1.00 0.00 H new ATOM 0 HE21 GLN A 44 10.177 -13.928 6.426 1.00 0.00 H new ATOM 0 HE22 GLN A 44 11.661 -13.254 5.745 1.00 0.00 H new ATOM 609 N ALA A 45 4.964 -10.851 6.604 1.00 0.00 N ATOM 610 CA ALA A 45 4.261 -10.173 7.680 1.00 0.00 C ATOM 611 C ALA A 45 2.787 -10.582 7.658 1.00 0.00 C ATOM 612 O ALA A 45 1.950 -9.936 8.286 1.00 0.00 O ATOM 613 CB ALA A 45 4.448 -8.661 7.538 1.00 0.00 C ATOM 0 H ALA A 45 4.974 -10.348 5.717 1.00 0.00 H new ATOM 0 HA ALA A 45 4.669 -10.463 8.648 1.00 0.00 H new ATOM 0 HB1 ALA A 45 3.921 -8.152 8.345 1.00 0.00 H new ATOM 0 HB2 ALA A 45 5.510 -8.419 7.589 1.00 0.00 H new ATOM 0 HB3 ALA A 45 4.047 -8.333 6.579 1.00 0.00 H new ATOM 619 N HIS A 46 2.514 -11.654 6.928 1.00 0.00 N ATOM 620 CA HIS A 46 1.156 -12.158 6.815 1.00 0.00 C ATOM 621 C HIS A 46 0.269 -11.100 6.155 1.00 0.00 C ATOM 622 O HIS A 46 -0.806 -10.783 6.661 1.00 0.00 O ATOM 623 CB HIS A 46 0.629 -12.606 8.180 1.00 0.00 C ATOM 624 CG HIS A 46 1.095 -13.981 8.597 1.00 0.00 C ATOM 625 ND1 HIS A 46 0.231 -15.052 8.745 1.00 0.00 N ATOM 626 CD2 HIS A 46 2.342 -14.447 8.894 1.00 0.00 C ATOM 627 CE1 HIS A 46 0.937 -16.110 9.116 1.00 0.00 C ATOM 628 NE2 HIS A 46 2.245 -15.733 9.208 1.00 0.00 N ATOM 0 H HIS A 46 3.211 -12.188 6.409 1.00 0.00 H new ATOM 0 HA HIS A 46 1.143 -13.042 6.177 1.00 0.00 H new ATOM 0 HB2 HIS A 46 0.942 -11.883 8.934 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -0.461 -12.594 8.159 1.00 0.00 H new ATOM 0 HD2 HIS A 46 3.253 -13.868 8.877 1.00 0.00 H new ATOM 0 HE1 HIS A 46 0.546 -17.098 9.311 1.00 0.00 H new ATOM 0 HE2 HIS A 46 3.021 -16.340 9.474 1.00 0.00 H new ATOM 636 N VAL A 47 0.753 -10.583 5.036 1.00 0.00 N ATOM 637 CA VAL A 47 0.018 -9.567 4.301 1.00 0.00 C ATOM 638 C VAL A 47 -0.536 -10.177 3.012 1.00 0.00 C ATOM 639 O VAL A 47 0.182 -10.302 2.022 1.00 0.00 O ATOM 640 CB VAL A 47 0.913 -8.352 4.051 1.00 0.00 C ATOM 641 CG1 VAL A 47 0.273 -7.398 3.040 1.00 0.00 C ATOM 642 CG2 VAL A 47 1.234 -7.628 5.360 1.00 0.00 C ATOM 0 H VAL A 47 1.646 -10.848 4.620 1.00 0.00 H new ATOM 0 HA VAL A 47 -0.832 -9.213 4.885 1.00 0.00 H new ATOM 0 HB VAL A 47 1.851 -8.710 3.627 1.00 0.00 H new ATOM 0 HG11 VAL A 47 0.930 -6.543 2.880 1.00 0.00 H new ATOM 0 HG12 VAL A 47 0.119 -7.919 2.095 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -0.687 -7.052 3.424 1.00 0.00 H new ATOM 0 HG21 VAL A 47 1.872 -6.768 5.153 1.00 0.00 H new ATOM 0 HG22 VAL A 47 0.308 -7.290 5.825 1.00 0.00 H new ATOM 0 HG23 VAL A 47 1.751 -8.309 6.035 1.00 0.00 H new ATOM 652 N ARG A 48 -1.809 -10.541 3.067 1.00 0.00 N ATOM 653 CA ARG A 48 -2.468 -11.134 1.916 1.00 0.00 C ATOM 654 C ARG A 48 -3.055 -10.043 1.019 1.00 0.00 C ATOM 655 O ARG A 48 -3.169 -8.890 1.432 1.00 0.00 O ATOM 656 CB ARG A 48 -3.586 -12.084 2.351 1.00 0.00 C ATOM 657 CG ARG A 48 -3.012 -13.357 2.976 1.00 0.00 C ATOM 658 CD ARG A 48 -1.883 -13.929 2.117 1.00 0.00 C ATOM 659 NE ARG A 48 -0.576 -13.440 2.608 1.00 0.00 N ATOM 660 CZ ARG A 48 0.150 -14.055 3.552 1.00 0.00 C ATOM 661 NH1 ARG A 48 -0.300 -15.187 4.112 1.00 0.00 N ATOM 662 NH2 ARG A 48 1.326 -13.539 3.935 1.00 0.00 N ATOM 0 H ARG A 48 -2.401 -10.437 3.891 1.00 0.00 H new ATOM 0 HA ARG A 48 -1.720 -11.701 1.361 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -4.235 -11.583 3.069 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -4.203 -12.343 1.491 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -2.638 -13.138 3.976 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -3.802 -14.100 3.087 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -1.908 -15.018 2.148 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -2.023 -13.636 1.076 1.00 0.00 H new ATOM 0 HE ARG A 48 -0.204 -12.581 2.203 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -1.195 -15.580 3.820 1.00 0.00 H new ATOM 0 HH12 ARG A 48 0.252 -15.655 4.830 1.00 0.00 H new ATOM 0 HH21 ARG A 48 1.669 -12.678 3.508 1.00 0.00 H new ATOM 0 HH22 ARG A 48 1.879 -14.007 4.653 1.00 0.00 H new ATOM 676 N ILE A 49 -3.412 -10.445 -0.192 1.00 0.00 N ATOM 677 CA ILE A 49 -3.984 -9.516 -1.151 1.00 0.00 C ATOM 678 C ILE A 49 -5.414 -9.170 -0.729 1.00 0.00 C ATOM 679 O ILE A 49 -6.218 -10.062 -0.462 1.00 0.00 O ATOM 680 CB ILE A 49 -3.880 -10.078 -2.570 1.00 0.00 C ATOM 681 CG1 ILE A 49 -2.478 -9.865 -3.143 1.00 0.00 C ATOM 682 CG2 ILE A 49 -4.965 -9.488 -3.474 1.00 0.00 C ATOM 683 CD1 ILE A 49 -2.500 -9.893 -4.672 1.00 0.00 C ATOM 0 H ILE A 49 -3.316 -11.402 -0.531 1.00 0.00 H new ATOM 0 HA ILE A 49 -3.420 -8.583 -1.161 1.00 0.00 H new ATOM 0 HB ILE A 49 -4.049 -11.154 -2.525 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -2.082 -8.909 -2.799 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -1.808 -10.640 -2.771 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -4.869 -9.904 -4.477 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -5.948 -9.735 -3.072 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -4.852 -8.405 -3.518 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -1.491 -9.739 -5.053 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -2.873 -10.859 -5.013 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -3.152 -9.101 -5.041 1.00 0.00 H new ATOM 695 N GLY A 50 -5.686 -7.875 -0.682 1.00 0.00 N ATOM 696 CA GLY A 50 -7.005 -7.401 -0.297 1.00 0.00 C ATOM 697 C GLY A 50 -6.958 -6.689 1.057 1.00 0.00 C ATOM 698 O GLY A 50 -7.910 -6.009 1.437 1.00 0.00 O ATOM 0 H GLY A 50 -5.016 -7.139 -0.904 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -7.387 -6.720 -1.057 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -7.697 -8.242 -0.246 1.00 0.00 H new ATOM 702 N ASP A 51 -5.842 -6.871 1.746 1.00 0.00 N ATOM 703 CA ASP A 51 -5.659 -6.255 3.050 1.00 0.00 C ATOM 704 C ASP A 51 -5.903 -4.749 2.936 1.00 0.00 C ATOM 705 O ASP A 51 -5.256 -4.070 2.140 1.00 0.00 O ATOM 706 CB ASP A 51 -4.233 -6.465 3.563 1.00 0.00 C ATOM 707 CG ASP A 51 -3.868 -7.916 3.883 1.00 0.00 C ATOM 708 OD1 ASP A 51 -4.638 -8.803 3.454 1.00 0.00 O ATOM 709 OD2 ASP A 51 -2.827 -8.106 4.548 1.00 0.00 O ATOM 0 H ASP A 51 -5.055 -7.436 1.427 1.00 0.00 H new ATOM 0 HA ASP A 51 -6.363 -6.716 3.743 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -3.535 -6.087 2.816 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -4.094 -5.865 4.462 1.00 0.00 H new ATOM 714 N VAL A 52 -6.838 -4.271 3.743 1.00 0.00 N ATOM 715 CA VAL A 52 -7.176 -2.857 3.743 1.00 0.00 C ATOM 716 C VAL A 52 -6.297 -2.127 4.760 1.00 0.00 C ATOM 717 O VAL A 52 -6.222 -2.526 5.922 1.00 0.00 O ATOM 718 CB VAL A 52 -8.672 -2.677 4.008 1.00 0.00 C ATOM 719 CG1 VAL A 52 -9.030 -1.196 4.144 1.00 0.00 C ATOM 720 CG2 VAL A 52 -9.507 -3.344 2.913 1.00 0.00 C ATOM 0 H VAL A 52 -7.373 -4.837 4.402 1.00 0.00 H new ATOM 0 HA VAL A 52 -6.977 -2.417 2.766 1.00 0.00 H new ATOM 0 HB VAL A 52 -8.906 -3.167 4.953 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -10.099 -1.096 4.332 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -8.473 -0.762 4.975 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -8.773 -0.673 3.223 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -10.566 -3.201 3.126 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -9.267 -2.896 1.949 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -9.283 -4.410 2.884 1.00 0.00 H new ATOM 730 N VAL A 53 -5.652 -1.071 4.287 1.00 0.00 N ATOM 731 CA VAL A 53 -4.781 -0.281 5.141 1.00 0.00 C ATOM 732 C VAL A 53 -5.623 0.715 5.940 1.00 0.00 C ATOM 733 O VAL A 53 -6.100 1.709 5.393 1.00 0.00 O ATOM 734 CB VAL A 53 -3.695 0.393 4.299 1.00 0.00 C ATOM 735 CG1 VAL A 53 -2.687 1.123 5.189 1.00 0.00 C ATOM 736 CG2 VAL A 53 -2.993 -0.622 3.394 1.00 0.00 C ATOM 0 H VAL A 53 -5.715 -0.744 3.323 1.00 0.00 H new ATOM 0 HA VAL A 53 -4.267 -0.920 5.859 1.00 0.00 H new ATOM 0 HB VAL A 53 -4.177 1.133 3.660 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -1.926 1.593 4.567 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -3.202 1.887 5.772 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -2.214 0.410 5.864 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -2.226 -0.117 2.807 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -2.530 -1.396 4.006 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -3.722 -1.077 2.724 1.00 0.00 H new ATOM 746 N LEU A 54 -5.780 0.415 7.220 1.00 0.00 N ATOM 747 CA LEU A 54 -6.556 1.272 8.100 1.00 0.00 C ATOM 748 C LEU A 54 -5.794 2.578 8.337 1.00 0.00 C ATOM 749 O LEU A 54 -6.363 3.662 8.226 1.00 0.00 O ATOM 750 CB LEU A 54 -6.920 0.530 9.388 1.00 0.00 C ATOM 751 CG LEU A 54 -7.833 -0.687 9.226 1.00 0.00 C ATOM 752 CD1 LEU A 54 -7.774 -1.585 10.463 1.00 0.00 C ATOM 753 CD2 LEU A 54 -9.264 -0.258 8.895 1.00 0.00 C ATOM 0 H LEU A 54 -5.383 -0.410 7.670 1.00 0.00 H new ATOM 0 HA LEU A 54 -7.505 1.536 7.633 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -5.998 0.206 9.870 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -7.403 1.234 10.065 1.00 0.00 H new ATOM 0 HG LEU A 54 -7.471 -1.277 8.384 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -8.432 -2.442 10.322 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -6.752 -1.933 10.612 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -8.096 -1.021 11.338 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -9.893 -1.142 8.785 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -9.652 0.366 9.700 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -9.268 0.308 7.964 1.00 0.00 H new ATOM 765 N SER A 55 -4.517 2.429 8.658 1.00 0.00 N ATOM 766 CA SER A 55 -3.670 3.583 8.912 1.00 0.00 C ATOM 767 C SER A 55 -2.265 3.332 8.361 1.00 0.00 C ATOM 768 O SER A 55 -1.894 2.190 8.094 1.00 0.00 O ATOM 769 CB SER A 55 -3.605 3.900 10.407 1.00 0.00 C ATOM 770 OG SER A 55 -4.901 4.088 10.970 1.00 0.00 O ATOM 0 H SER A 55 -4.048 1.528 8.748 1.00 0.00 H new ATOM 0 HA SER A 55 -4.104 4.444 8.404 1.00 0.00 H new ATOM 0 HB2 SER A 55 -3.098 3.088 10.928 1.00 0.00 H new ATOM 0 HB3 SER A 55 -3.009 4.799 10.561 1.00 0.00 H new ATOM 0 HG SER A 55 -4.817 4.287 11.926 1.00 0.00 H new ATOM 776 N ILE A 56 -1.522 4.418 8.207 1.00 0.00 N ATOM 777 CA ILE A 56 -0.166 4.329 7.692 1.00 0.00 C ATOM 778 C ILE A 56 0.748 5.239 8.517 1.00 0.00 C ATOM 779 O ILE A 56 0.564 6.455 8.538 1.00 0.00 O ATOM 780 CB ILE A 56 -0.141 4.630 6.192 1.00 0.00 C ATOM 781 CG1 ILE A 56 -0.703 3.455 5.388 1.00 0.00 C ATOM 782 CG2 ILE A 56 1.266 5.018 5.734 1.00 0.00 C ATOM 783 CD1 ILE A 56 -0.689 3.760 3.889 1.00 0.00 C ATOM 0 H ILE A 56 -1.833 5.364 8.430 1.00 0.00 H new ATOM 0 HA ILE A 56 0.215 3.313 7.796 1.00 0.00 H new ATOM 0 HB ILE A 56 -0.788 5.487 6.004 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -0.114 2.559 5.586 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -1.723 3.244 5.710 1.00 0.00 H new ATOM 0 HG21 ILE A 56 1.256 5.227 4.664 1.00 0.00 H new ATOM 0 HG22 ILE A 56 1.592 5.907 6.274 1.00 0.00 H new ATOM 0 HG23 ILE A 56 1.954 4.197 5.937 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -1.093 2.909 3.341 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -1.299 4.642 3.691 1.00 0.00 H new ATOM 0 HD13 ILE A 56 0.335 3.947 3.565 1.00 0.00 H new ATOM 795 N ASP A 57 1.713 4.614 9.176 1.00 0.00 N ATOM 796 CA ASP A 57 2.655 5.351 9.999 1.00 0.00 C ATOM 797 C ASP A 57 1.898 6.057 11.126 1.00 0.00 C ATOM 798 O ASP A 57 2.215 7.193 11.475 1.00 0.00 O ATOM 799 CB ASP A 57 3.386 6.417 9.180 1.00 0.00 C ATOM 800 CG ASP A 57 4.687 6.931 9.801 1.00 0.00 C ATOM 801 OD1 ASP A 57 5.589 6.090 10.005 1.00 0.00 O ATOM 802 OD2 ASP A 57 4.749 8.152 10.058 1.00 0.00 O ATOM 0 H ASP A 57 1.862 3.605 9.156 1.00 0.00 H new ATOM 0 HA ASP A 57 3.381 4.642 10.398 1.00 0.00 H new ATOM 0 HB2 ASP A 57 3.608 6.007 8.195 1.00 0.00 H new ATOM 0 HB3 ASP A 57 2.714 7.262 9.030 1.00 0.00 H new ATOM 807 N GLY A 58 0.912 5.355 11.663 1.00 0.00 N ATOM 808 CA GLY A 58 0.107 5.900 12.743 1.00 0.00 C ATOM 809 C GLY A 58 -0.912 6.910 12.211 1.00 0.00 C ATOM 810 O GLY A 58 -1.661 7.507 12.984 1.00 0.00 O ATOM 0 H GLY A 58 0.652 4.413 11.371 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -0.412 5.092 13.258 1.00 0.00 H new ATOM 0 HA3 GLY A 58 0.754 6.382 13.476 1.00 0.00 H new ATOM 814 N ILE A 59 -0.908 7.070 10.896 1.00 0.00 N ATOM 815 CA ILE A 59 -1.822 7.998 10.252 1.00 0.00 C ATOM 816 C ILE A 59 -3.044 7.231 9.742 1.00 0.00 C ATOM 817 O ILE A 59 -2.909 6.285 8.968 1.00 0.00 O ATOM 818 CB ILE A 59 -1.099 8.796 9.166 1.00 0.00 C ATOM 819 CG1 ILE A 59 0.234 9.341 9.682 1.00 0.00 C ATOM 820 CG2 ILE A 59 -1.996 9.904 8.611 1.00 0.00 C ATOM 821 CD1 ILE A 59 0.042 10.689 10.380 1.00 0.00 C ATOM 0 H ILE A 59 -0.286 6.573 10.259 1.00 0.00 H new ATOM 0 HA ILE A 59 -2.184 8.736 10.968 1.00 0.00 H new ATOM 0 HB ILE A 59 -0.873 8.122 8.340 1.00 0.00 H new ATOM 0 HG12 ILE A 59 0.678 8.628 10.376 1.00 0.00 H new ATOM 0 HG13 ILE A 59 0.931 9.453 8.851 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -1.458 10.456 7.841 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -2.895 9.463 8.180 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -2.275 10.584 9.416 1.00 0.00 H new ATOM 0 HD11 ILE A 59 1.005 11.054 10.737 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -0.380 11.406 9.676 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -0.636 10.568 11.225 1.00 0.00 H new ATOM 833 N SER A 60 -4.209 7.668 10.196 1.00 0.00 N ATOM 834 CA SER A 60 -5.454 7.035 9.795 1.00 0.00 C ATOM 835 C SER A 60 -5.694 7.253 8.300 1.00 0.00 C ATOM 836 O SER A 60 -5.720 8.390 7.831 1.00 0.00 O ATOM 837 CB SER A 60 -6.633 7.575 10.606 1.00 0.00 C ATOM 838 OG SER A 60 -7.257 6.557 11.384 1.00 0.00 O ATOM 0 H SER A 60 -4.317 8.453 10.838 1.00 0.00 H new ATOM 0 HA SER A 60 -5.373 5.966 9.991 1.00 0.00 H new ATOM 0 HB2 SER A 60 -6.286 8.372 11.263 1.00 0.00 H new ATOM 0 HB3 SER A 60 -7.366 8.016 9.930 1.00 0.00 H new ATOM 0 HG SER A 60 -8.004 6.942 11.888 1.00 0.00 H new ATOM 844 N ALA A 61 -5.863 6.145 7.592 1.00 0.00 N ATOM 845 CA ALA A 61 -6.100 6.201 6.160 1.00 0.00 C ATOM 846 C ALA A 61 -7.602 6.331 5.900 1.00 0.00 C ATOM 847 O ALA A 61 -8.147 5.650 5.033 1.00 0.00 O ATOM 848 CB ALA A 61 -5.498 4.962 5.494 1.00 0.00 C ATOM 0 H ALA A 61 -5.840 5.204 7.984 1.00 0.00 H new ATOM 0 HA ALA A 61 -5.614 7.074 5.725 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -5.676 5.004 4.419 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -4.425 4.932 5.683 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -5.964 4.066 5.904 1.00 0.00 H new ATOM 854 N GLN A 62 -8.229 7.209 6.669 1.00 0.00 N ATOM 855 CA GLN A 62 -9.658 7.437 6.533 1.00 0.00 C ATOM 856 C GLN A 62 -9.919 8.692 5.698 1.00 0.00 C ATOM 857 O GLN A 62 -10.419 9.691 6.212 1.00 0.00 O ATOM 858 CB GLN A 62 -10.329 7.541 7.904 1.00 0.00 C ATOM 859 CG GLN A 62 -10.766 6.164 8.407 1.00 0.00 C ATOM 860 CD GLN A 62 -12.249 6.162 8.783 1.00 0.00 C ATOM 861 OE1 GLN A 62 -13.043 6.945 8.287 1.00 0.00 O ATOM 862 NE2 GLN A 62 -12.577 5.241 9.684 1.00 0.00 N ATOM 0 H GLN A 62 -7.774 7.771 7.388 1.00 0.00 H new ATOM 0 HA GLN A 62 -10.095 6.583 6.015 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -9.638 7.990 8.618 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -11.195 8.200 7.840 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -10.582 5.416 7.636 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -10.167 5.883 9.273 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -11.862 4.617 10.059 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -13.543 5.158 10.000 1.00 0.00 H new ATOM 871 N GLY A 63 -9.567 8.600 4.424 1.00 0.00 N ATOM 872 CA GLY A 63 -9.757 9.716 3.512 1.00 0.00 C ATOM 873 C GLY A 63 -8.528 9.912 2.623 1.00 0.00 C ATOM 874 O GLY A 63 -8.657 10.210 1.436 1.00 0.00 O ATOM 0 H GLY A 63 -9.151 7.770 4.001 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -10.635 9.538 2.891 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -9.948 10.626 4.080 1.00 0.00 H new ATOM 878 N MET A 64 -7.363 9.736 3.230 1.00 0.00 N ATOM 879 CA MET A 64 -6.112 9.890 2.507 1.00 0.00 C ATOM 880 C MET A 64 -6.183 9.212 1.138 1.00 0.00 C ATOM 881 O MET A 64 -6.703 8.104 1.016 1.00 0.00 O ATOM 882 CB MET A 64 -4.972 9.277 3.323 1.00 0.00 C ATOM 883 CG MET A 64 -4.658 10.130 4.554 1.00 0.00 C ATOM 884 SD MET A 64 -2.899 10.144 4.854 1.00 0.00 S ATOM 885 CE MET A 64 -2.594 8.390 4.993 1.00 0.00 C ATOM 0 H MET A 64 -7.259 9.488 4.214 1.00 0.00 H new ATOM 0 HA MET A 64 -5.930 10.954 2.355 1.00 0.00 H new ATOM 0 HB2 MET A 64 -5.245 8.269 3.635 1.00 0.00 H new ATOM 0 HB3 MET A 64 -4.081 9.188 2.701 1.00 0.00 H new ATOM 0 HG2 MET A 64 -5.018 11.148 4.403 1.00 0.00 H new ATOM 0 HG3 MET A 64 -5.181 9.733 5.424 1.00 0.00 H new ATOM 0 HE1 MET A 64 -1.645 8.225 5.503 1.00 0.00 H new ATOM 0 HE2 MET A 64 -3.398 7.925 5.563 1.00 0.00 H new ATOM 0 HE3 MET A 64 -2.552 7.948 3.998 1.00 0.00 H new ATOM 895 N THR A 65 -5.651 9.905 0.141 1.00 0.00 N ATOM 896 CA THR A 65 -5.648 9.384 -1.215 1.00 0.00 C ATOM 897 C THR A 65 -4.468 8.431 -1.416 1.00 0.00 C ATOM 898 O THR A 65 -3.570 8.363 -0.578 1.00 0.00 O ATOM 899 CB THR A 65 -5.641 10.572 -2.178 1.00 0.00 C ATOM 900 OG1 THR A 65 -4.407 11.231 -1.908 1.00 0.00 O ATOM 901 CG2 THR A 65 -6.705 11.615 -1.830 1.00 0.00 C ATOM 0 H THR A 65 -5.219 10.823 0.246 1.00 0.00 H new ATOM 0 HA THR A 65 -6.541 8.792 -1.414 1.00 0.00 H new ATOM 0 HB THR A 65 -5.802 10.215 -3.195 1.00 0.00 H new ATOM 0 HG1 THR A 65 -4.320 12.014 -2.491 1.00 0.00 H new ATOM 0 HG21 THR A 65 -6.657 12.437 -2.545 1.00 0.00 H new ATOM 0 HG22 THR A 65 -7.692 11.155 -1.872 1.00 0.00 H new ATOM 0 HG23 THR A 65 -6.525 11.997 -0.825 1.00 0.00 H new ATOM 909 N HIS A 66 -4.508 7.718 -2.533 1.00 0.00 N ATOM 910 CA HIS A 66 -3.453 6.772 -2.855 1.00 0.00 C ATOM 911 C HIS A 66 -2.090 7.446 -2.686 1.00 0.00 C ATOM 912 O HIS A 66 -1.198 6.899 -2.039 1.00 0.00 O ATOM 913 CB HIS A 66 -3.656 6.189 -4.255 1.00 0.00 C ATOM 914 CG HIS A 66 -3.001 4.843 -4.460 1.00 0.00 C ATOM 915 ND1 HIS A 66 -2.332 4.505 -5.623 1.00 0.00 N ATOM 916 CD2 HIS A 66 -2.918 3.758 -3.638 1.00 0.00 C ATOM 917 CE1 HIS A 66 -1.873 3.268 -5.497 1.00 0.00 C ATOM 918 NE2 HIS A 66 -2.238 2.807 -4.266 1.00 0.00 N ATOM 0 H HIS A 66 -5.254 7.777 -3.226 1.00 0.00 H new ATOM 0 HA HIS A 66 -3.491 5.930 -2.164 1.00 0.00 H new ATOM 0 HB2 HIS A 66 -4.725 6.095 -4.447 1.00 0.00 H new ATOM 0 HB3 HIS A 66 -3.261 6.890 -4.990 1.00 0.00 H new ATOM 0 HD1 HIS A 66 -2.212 5.106 -6.439 1.00 0.00 H new ATOM 0 HD2 HIS A 66 -3.335 3.685 -2.644 1.00 0.00 H new ATOM 0 HE1 HIS A 66 -1.309 2.721 -6.238 1.00 0.00 H new ATOM 926 N LEU A 67 -1.971 8.625 -3.278 1.00 0.00 N ATOM 927 CA LEU A 67 -0.731 9.380 -3.201 1.00 0.00 C ATOM 928 C LEU A 67 -0.392 9.647 -1.733 1.00 0.00 C ATOM 929 O LEU A 67 0.732 9.403 -1.298 1.00 0.00 O ATOM 930 CB LEU A 67 -0.823 10.649 -4.051 1.00 0.00 C ATOM 931 CG LEU A 67 -0.274 11.926 -3.412 1.00 0.00 C ATOM 932 CD1 LEU A 67 -1.241 12.472 -2.360 1.00 0.00 C ATOM 933 CD2 LEU A 67 1.126 11.694 -2.839 1.00 0.00 C ATOM 0 H LEU A 67 -2.713 9.077 -3.813 1.00 0.00 H new ATOM 0 HA LEU A 67 0.093 8.802 -3.619 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -0.289 10.476 -4.986 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -1.869 10.816 -4.307 1.00 0.00 H new ATOM 0 HG LEU A 67 -0.182 12.685 -4.189 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -0.827 13.380 -1.921 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -2.198 12.700 -2.829 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -1.388 11.726 -1.579 1.00 0.00 H new ATOM 0 HD21 LEU A 67 1.493 12.617 -2.391 1.00 0.00 H new ATOM 0 HD22 LEU A 67 1.083 10.914 -2.079 1.00 0.00 H new ATOM 0 HD23 LEU A 67 1.800 11.386 -3.638 1.00 0.00 H new ATOM 945 N GLU A 68 -1.385 10.144 -1.010 1.00 0.00 N ATOM 946 CA GLU A 68 -1.206 10.446 0.399 1.00 0.00 C ATOM 947 C GLU A 68 -0.538 9.269 1.114 1.00 0.00 C ATOM 948 O GLU A 68 0.517 9.429 1.727 1.00 0.00 O ATOM 949 CB GLU A 68 -2.541 10.801 1.058 1.00 0.00 C ATOM 950 CG GLU A 68 -2.971 12.223 0.693 1.00 0.00 C ATOM 951 CD GLU A 68 -3.431 12.991 1.934 1.00 0.00 C ATOM 952 OE1 GLU A 68 -2.540 13.459 2.675 1.00 0.00 O ATOM 953 OE2 GLU A 68 -4.664 13.094 2.113 1.00 0.00 O ATOM 0 H GLU A 68 -2.316 10.345 -1.374 1.00 0.00 H new ATOM 0 HA GLU A 68 -0.554 11.315 0.484 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -3.307 10.093 0.741 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -2.452 10.711 2.141 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -2.140 12.749 0.223 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -3.779 12.186 -0.037 1.00 0.00 H new ATOM 960 N ALA A 69 -1.179 8.115 1.011 1.00 0.00 N ATOM 961 CA ALA A 69 -0.660 6.912 1.640 1.00 0.00 C ATOM 962 C ALA A 69 0.742 6.623 1.099 1.00 0.00 C ATOM 963 O ALA A 69 1.646 6.280 1.859 1.00 0.00 O ATOM 964 CB ALA A 69 -1.628 5.751 1.400 1.00 0.00 C ATOM 0 H ALA A 69 -2.053 7.987 0.501 1.00 0.00 H new ATOM 0 HA ALA A 69 -0.576 7.049 2.718 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -1.238 4.849 1.872 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -2.600 5.994 1.828 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -1.735 5.582 0.328 1.00 0.00 H new ATOM 970 N GLN A 70 0.879 6.773 -0.211 1.00 0.00 N ATOM 971 CA GLN A 70 2.155 6.533 -0.862 1.00 0.00 C ATOM 972 C GLN A 70 3.219 7.486 -0.313 1.00 0.00 C ATOM 973 O GLN A 70 4.362 7.086 -0.095 1.00 0.00 O ATOM 974 CB GLN A 70 2.030 6.669 -2.381 1.00 0.00 C ATOM 975 CG GLN A 70 1.050 5.637 -2.944 1.00 0.00 C ATOM 976 CD GLN A 70 1.766 4.647 -3.866 1.00 0.00 C ATOM 977 OE1 GLN A 70 2.889 4.237 -3.625 1.00 0.00 O ATOM 978 NE2 GLN A 70 1.055 4.289 -4.931 1.00 0.00 N ATOM 0 H GLN A 70 0.127 7.058 -0.838 1.00 0.00 H new ATOM 0 HA GLN A 70 2.464 5.510 -0.645 1.00 0.00 H new ATOM 0 HB2 GLN A 70 1.691 7.674 -2.633 1.00 0.00 H new ATOM 0 HB3 GLN A 70 3.008 6.537 -2.843 1.00 0.00 H new ATOM 0 HG2 GLN A 70 0.574 5.098 -2.125 1.00 0.00 H new ATOM 0 HG3 GLN A 70 0.258 6.145 -3.494 1.00 0.00 H new ATOM 0 HE21 GLN A 70 0.120 4.671 -5.072 1.00 0.00 H new ATOM 0 HE22 GLN A 70 1.445 3.632 -5.607 1.00 0.00 H new ATOM 987 N ASN A 71 2.805 8.727 -0.104 1.00 0.00 N ATOM 988 CA ASN A 71 3.709 9.739 0.416 1.00 0.00 C ATOM 989 C ASN A 71 4.293 9.261 1.746 1.00 0.00 C ATOM 990 O ASN A 71 5.506 9.308 1.949 1.00 0.00 O ATOM 991 CB ASN A 71 2.973 11.056 0.669 1.00 0.00 C ATOM 992 CG ASN A 71 3.453 12.147 -0.291 1.00 0.00 C ATOM 993 OD1 ASN A 71 4.620 12.238 -0.633 1.00 0.00 O ATOM 994 ND2 ASN A 71 2.490 12.966 -0.704 1.00 0.00 N ATOM 0 H ASN A 71 1.856 9.055 -0.285 1.00 0.00 H new ATOM 0 HA ASN A 71 4.495 9.900 -0.322 1.00 0.00 H new ATOM 0 HB2 ASN A 71 1.900 10.906 0.547 1.00 0.00 H new ATOM 0 HB3 ASN A 71 3.136 11.375 1.698 1.00 0.00 H new ATOM 0 HD21 ASN A 71 2.709 13.727 -1.347 1.00 0.00 H new ATOM 0 HD22 ASN A 71 1.533 12.833 -0.378 1.00 0.00 H new ATOM 1001 N LYS A 72 3.404 8.810 2.619 1.00 0.00 N ATOM 1002 CA LYS A 72 3.816 8.323 3.924 1.00 0.00 C ATOM 1003 C LYS A 72 4.831 7.193 3.745 1.00 0.00 C ATOM 1004 O LYS A 72 5.913 7.227 4.329 1.00 0.00 O ATOM 1005 CB LYS A 72 2.596 7.928 4.758 1.00 0.00 C ATOM 1006 CG LYS A 72 1.817 9.164 5.212 1.00 0.00 C ATOM 1007 CD LYS A 72 2.463 9.798 6.445 1.00 0.00 C ATOM 1008 CE LYS A 72 1.566 10.887 7.036 1.00 0.00 C ATOM 1009 NZ LYS A 72 1.593 12.098 6.185 1.00 0.00 N ATOM 0 H LYS A 72 2.399 8.772 2.448 1.00 0.00 H new ATOM 0 HA LYS A 72 4.315 9.113 4.485 1.00 0.00 H new ATOM 0 HB2 LYS A 72 1.945 7.279 4.172 1.00 0.00 H new ATOM 0 HB3 LYS A 72 2.916 7.356 5.629 1.00 0.00 H new ATOM 0 HG2 LYS A 72 1.780 9.892 4.402 1.00 0.00 H new ATOM 0 HG3 LYS A 72 0.788 8.886 5.439 1.00 0.00 H new ATOM 0 HD2 LYS A 72 2.652 9.031 7.196 1.00 0.00 H new ATOM 0 HD3 LYS A 72 3.429 10.225 6.175 1.00 0.00 H new ATOM 0 HE2 LYS A 72 0.544 10.518 7.122 1.00 0.00 H new ATOM 0 HE3 LYS A 72 1.901 11.135 8.043 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 0.979 12.828 6.600 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 2.567 12.458 6.125 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 1.252 11.860 5.232 1.00 0.00 H new ATOM 1023 N ILE A 73 4.446 6.218 2.934 1.00 0.00 N ATOM 1024 CA ILE A 73 5.310 5.080 2.670 1.00 0.00 C ATOM 1025 C ILE A 73 6.714 5.579 2.326 1.00 0.00 C ATOM 1026 O ILE A 73 7.700 5.110 2.894 1.00 0.00 O ATOM 1027 CB ILE A 73 4.696 4.180 1.595 1.00 0.00 C ATOM 1028 CG1 ILE A 73 3.489 3.416 2.143 1.00 0.00 C ATOM 1029 CG2 ILE A 73 5.748 3.241 1.001 1.00 0.00 C ATOM 1030 CD1 ILE A 73 2.343 3.403 1.129 1.00 0.00 C ATOM 0 H ILE A 73 3.548 6.193 2.451 1.00 0.00 H new ATOM 0 HA ILE A 73 5.403 4.458 3.560 1.00 0.00 H new ATOM 0 HB ILE A 73 4.335 4.813 0.784 1.00 0.00 H new ATOM 0 HG12 ILE A 73 3.779 2.393 2.382 1.00 0.00 H new ATOM 0 HG13 ILE A 73 3.153 3.877 3.072 1.00 0.00 H new ATOM 0 HG21 ILE A 73 5.286 2.612 0.240 1.00 0.00 H new ATOM 0 HG22 ILE A 73 6.547 3.829 0.550 1.00 0.00 H new ATOM 0 HG23 ILE A 73 6.161 2.612 1.790 1.00 0.00 H new ATOM 0 HD11 ILE A 73 1.497 2.854 1.543 1.00 0.00 H new ATOM 0 HD12 ILE A 73 2.039 4.427 0.910 1.00 0.00 H new ATOM 0 HD13 ILE A 73 2.675 2.919 0.211 1.00 0.00 H new ATOM 1042 N LYS A 74 6.761 6.523 1.398 1.00 0.00 N ATOM 1043 CA LYS A 74 8.029 7.091 0.972 1.00 0.00 C ATOM 1044 C LYS A 74 8.653 7.865 2.135 1.00 0.00 C ATOM 1045 O LYS A 74 9.872 8.015 2.203 1.00 0.00 O ATOM 1046 CB LYS A 74 7.842 7.930 -0.294 1.00 0.00 C ATOM 1047 CG LYS A 74 7.593 7.037 -1.511 1.00 0.00 C ATOM 1048 CD LYS A 74 6.546 7.655 -2.440 1.00 0.00 C ATOM 1049 CE LYS A 74 7.137 7.936 -3.822 1.00 0.00 C ATOM 1050 NZ LYS A 74 7.529 9.359 -3.938 1.00 0.00 N ATOM 0 H LYS A 74 5.942 6.909 0.929 1.00 0.00 H new ATOM 0 HA LYS A 74 8.729 6.300 0.703 1.00 0.00 H new ATOM 0 HB2 LYS A 74 7.003 8.613 -0.162 1.00 0.00 H new ATOM 0 HB3 LYS A 74 8.728 8.543 -0.463 1.00 0.00 H new ATOM 0 HG2 LYS A 74 8.526 6.890 -2.055 1.00 0.00 H new ATOM 0 HG3 LYS A 74 7.257 6.053 -1.182 1.00 0.00 H new ATOM 0 HD2 LYS A 74 5.695 6.980 -2.535 1.00 0.00 H new ATOM 0 HD3 LYS A 74 6.171 8.582 -2.006 1.00 0.00 H new ATOM 0 HE2 LYS A 74 8.005 7.299 -3.989 1.00 0.00 H new ATOM 0 HE3 LYS A 74 6.407 7.690 -4.593 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 7.928 9.533 -4.882 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 6.693 9.962 -3.799 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 8.241 9.583 -3.214 1.00 0.00 H new ATOM 1064 N ALA A 75 7.789 8.336 3.022 1.00 0.00 N ATOM 1065 CA ALA A 75 8.240 9.090 4.179 1.00 0.00 C ATOM 1066 C ALA A 75 9.039 8.169 5.104 1.00 0.00 C ATOM 1067 O ALA A 75 9.804 8.639 5.944 1.00 0.00 O ATOM 1068 CB ALA A 75 7.035 9.718 4.882 1.00 0.00 C ATOM 0 H ALA A 75 6.779 8.210 2.963 1.00 0.00 H new ATOM 0 HA ALA A 75 8.899 9.903 3.873 1.00 0.00 H new ATOM 0 HB1 ALA A 75 7.374 10.283 5.750 1.00 0.00 H new ATOM 0 HB2 ALA A 75 6.519 10.386 4.193 1.00 0.00 H new ATOM 0 HB3 ALA A 75 6.352 8.932 5.205 1.00 0.00 H new ATOM 1074 N CYS A 76 8.833 6.873 4.917 1.00 0.00 N ATOM 1075 CA CYS A 76 9.524 5.882 5.724 1.00 0.00 C ATOM 1076 C CYS A 76 10.982 6.320 5.878 1.00 0.00 C ATOM 1077 O CYS A 76 11.528 6.991 5.004 1.00 0.00 O ATOM 1078 CB CYS A 76 9.410 4.481 5.119 1.00 0.00 C ATOM 1079 SG CYS A 76 10.531 4.327 3.681 1.00 0.00 S ATOM 0 H CYS A 76 8.198 6.487 4.219 1.00 0.00 H new ATOM 0 HA CYS A 76 9.058 5.821 6.708 1.00 0.00 H new ATOM 0 HB2 CYS A 76 9.662 3.731 5.869 1.00 0.00 H new ATOM 0 HB3 CYS A 76 8.382 4.292 4.811 1.00 0.00 H new ATOM 0 HG CYS A 76 10.633 3.076 3.342 1.00 0.00 H new ATOM 1085 N THR A 77 11.570 5.923 6.997 1.00 0.00 N ATOM 1086 CA THR A 77 12.954 6.266 7.278 1.00 0.00 C ATOM 1087 C THR A 77 13.785 4.999 7.490 1.00 0.00 C ATOM 1088 O THR A 77 14.895 4.886 6.973 1.00 0.00 O ATOM 1089 CB THR A 77 12.972 7.213 8.479 1.00 0.00 C ATOM 1090 OG1 THR A 77 12.349 6.465 9.520 1.00 0.00 O ATOM 1091 CG2 THR A 77 12.053 8.421 8.286 1.00 0.00 C ATOM 0 H THR A 77 11.113 5.367 7.720 1.00 0.00 H new ATOM 0 HA THR A 77 13.413 6.780 6.434 1.00 0.00 H new ATOM 0 HB THR A 77 13.991 7.557 8.655 1.00 0.00 H new ATOM 0 HG1 THR A 77 12.320 7.004 10.338 1.00 0.00 H new ATOM 0 HG21 THR A 77 12.103 9.061 9.167 1.00 0.00 H new ATOM 0 HG22 THR A 77 12.372 8.985 7.409 1.00 0.00 H new ATOM 0 HG23 THR A 77 11.028 8.079 8.144 1.00 0.00 H new ATOM 1099 N GLY A 78 13.215 4.077 8.252 1.00 0.00 N ATOM 1100 CA GLY A 78 13.890 2.822 8.539 1.00 0.00 C ATOM 1101 C GLY A 78 12.946 1.634 8.339 1.00 0.00 C ATOM 1102 O GLY A 78 13.306 0.654 7.690 1.00 0.00 O ATOM 0 H GLY A 78 12.294 4.174 8.679 1.00 0.00 H new ATOM 0 HA2 GLY A 78 14.758 2.715 7.889 1.00 0.00 H new ATOM 0 HA3 GLY A 78 14.259 2.829 9.565 1.00 0.00 H new ATOM 1106 N SER A 79 11.757 1.761 8.910 1.00 0.00 N ATOM 1107 CA SER A 79 10.759 0.711 8.802 1.00 0.00 C ATOM 1108 C SER A 79 9.368 1.325 8.640 1.00 0.00 C ATOM 1109 O SER A 79 9.131 2.455 9.066 1.00 0.00 O ATOM 1110 CB SER A 79 10.795 -0.209 10.024 1.00 0.00 C ATOM 1111 OG SER A 79 11.795 0.184 10.960 1.00 0.00 O ATOM 0 H SER A 79 11.463 2.575 9.449 1.00 0.00 H new ATOM 0 HA SER A 79 10.988 0.111 7.921 1.00 0.00 H new ATOM 0 HB2 SER A 79 9.820 -0.202 10.511 1.00 0.00 H new ATOM 0 HB3 SER A 79 10.983 -1.233 9.701 1.00 0.00 H new ATOM 0 HG SER A 79 11.784 -0.427 11.726 1.00 0.00 H new ATOM 1117 N LEU A 80 8.483 0.554 8.025 1.00 0.00 N ATOM 1118 CA LEU A 80 7.121 1.009 7.801 1.00 0.00 C ATOM 1119 C LEU A 80 6.213 0.437 8.892 1.00 0.00 C ATOM 1120 O LEU A 80 6.425 -0.680 9.359 1.00 0.00 O ATOM 1121 CB LEU A 80 6.668 0.665 6.381 1.00 0.00 C ATOM 1122 CG LEU A 80 5.613 1.591 5.771 1.00 0.00 C ATOM 1123 CD1 LEU A 80 6.193 2.982 5.504 1.00 0.00 C ATOM 1124 CD2 LEU A 80 5.004 0.973 4.512 1.00 0.00 C ATOM 0 H LEU A 80 8.683 -0.383 7.675 1.00 0.00 H new ATOM 0 HA LEU A 80 7.064 2.095 7.874 1.00 0.00 H new ATOM 0 HB2 LEU A 80 7.543 0.666 5.731 1.00 0.00 H new ATOM 0 HB3 LEU A 80 6.274 -0.351 6.383 1.00 0.00 H new ATOM 0 HG LEU A 80 4.806 1.712 6.493 1.00 0.00 H new ATOM 0 HD11 LEU A 80 5.423 3.620 5.071 1.00 0.00 H new ATOM 0 HD12 LEU A 80 6.540 3.417 6.441 1.00 0.00 H new ATOM 0 HD13 LEU A 80 7.029 2.900 4.810 1.00 0.00 H new ATOM 0 HD21 LEU A 80 4.257 1.651 4.098 1.00 0.00 H new ATOM 0 HD22 LEU A 80 5.788 0.803 3.774 1.00 0.00 H new ATOM 0 HD23 LEU A 80 4.532 0.024 4.765 1.00 0.00 H new ATOM 1136 N ASN A 81 5.219 1.231 9.265 1.00 0.00 N ATOM 1137 CA ASN A 81 4.277 0.818 10.291 1.00 0.00 C ATOM 1138 C ASN A 81 2.859 1.196 9.857 1.00 0.00 C ATOM 1139 O ASN A 81 2.481 2.365 9.911 1.00 0.00 O ATOM 1140 CB ASN A 81 4.568 1.519 11.619 1.00 0.00 C ATOM 1141 CG ASN A 81 5.125 0.534 12.649 1.00 0.00 C ATOM 1142 OD1 ASN A 81 4.523 0.263 13.675 1.00 0.00 O ATOM 1143 ND2 ASN A 81 6.304 0.015 12.319 1.00 0.00 N ATOM 0 H ASN A 81 5.046 2.157 8.875 1.00 0.00 H new ATOM 0 HA ASN A 81 4.373 -0.260 10.423 1.00 0.00 H new ATOM 0 HB2 ASN A 81 5.283 2.326 11.459 1.00 0.00 H new ATOM 0 HB3 ASN A 81 3.654 1.973 12.002 1.00 0.00 H new ATOM 0 HD21 ASN A 81 6.759 -0.654 12.941 1.00 0.00 H new ATOM 0 HD22 ASN A 81 6.753 0.285 11.444 1.00 0.00 H new ATOM 1150 N MET A 82 2.114 0.184 9.438 1.00 0.00 N ATOM 1151 CA MET A 82 0.746 0.395 8.995 1.00 0.00 C ATOM 1152 C MET A 82 -0.188 -0.669 9.574 1.00 0.00 C ATOM 1153 O MET A 82 0.212 -1.818 9.758 1.00 0.00 O ATOM 1154 CB MET A 82 0.691 0.348 7.467 1.00 0.00 C ATOM 1155 CG MET A 82 1.878 1.091 6.852 1.00 0.00 C ATOM 1156 SD MET A 82 1.844 0.931 5.074 1.00 0.00 S ATOM 1157 CE MET A 82 2.110 -0.827 4.916 1.00 0.00 C ATOM 0 H MET A 82 2.432 -0.784 9.396 1.00 0.00 H new ATOM 0 HA MET A 82 0.416 1.372 9.349 1.00 0.00 H new ATOM 0 HB2 MET A 82 0.693 -0.689 7.131 1.00 0.00 H new ATOM 0 HB3 MET A 82 -0.241 0.794 7.119 1.00 0.00 H new ATOM 0 HG2 MET A 82 1.843 2.144 7.131 1.00 0.00 H new ATOM 0 HG3 MET A 82 2.812 0.688 7.244 1.00 0.00 H new ATOM 0 HE1 MET A 82 3.010 -1.007 4.328 1.00 0.00 H new ATOM 0 HE2 MET A 82 2.229 -1.267 5.906 1.00 0.00 H new ATOM 0 HE3 MET A 82 1.254 -1.281 4.417 1.00 0.00 H new ATOM 1167 N THR A 83 -1.416 -0.250 9.844 1.00 0.00 N ATOM 1168 CA THR A 83 -2.410 -1.153 10.397 1.00 0.00 C ATOM 1169 C THR A 83 -3.219 -1.808 9.276 1.00 0.00 C ATOM 1170 O THR A 83 -3.500 -1.177 8.258 1.00 0.00 O ATOM 1171 CB THR A 83 -3.270 -0.362 11.385 1.00 0.00 C ATOM 1172 OG1 THR A 83 -2.345 0.513 12.027 1.00 0.00 O ATOM 1173 CG2 THR A 83 -3.808 -1.234 12.522 1.00 0.00 C ATOM 0 H THR A 83 -1.745 0.703 9.690 1.00 0.00 H new ATOM 0 HA THR A 83 -1.940 -1.974 10.938 1.00 0.00 H new ATOM 0 HB THR A 83 -4.104 0.097 10.854 1.00 0.00 H new ATOM 0 HG1 THR A 83 -2.819 1.065 12.684 1.00 0.00 H new ATOM 0 HG21 THR A 83 -4.411 -0.624 13.194 1.00 0.00 H new ATOM 0 HG22 THR A 83 -4.422 -2.034 12.108 1.00 0.00 H new ATOM 0 HG23 THR A 83 -2.974 -1.666 13.075 1.00 0.00 H new ATOM 1181 N LEU A 84 -3.572 -3.065 9.501 1.00 0.00 N ATOM 1182 CA LEU A 84 -4.344 -3.812 8.522 1.00 0.00 C ATOM 1183 C LEU A 84 -5.709 -4.164 9.116 1.00 0.00 C ATOM 1184 O LEU A 84 -5.860 -4.237 10.335 1.00 0.00 O ATOM 1185 CB LEU A 84 -3.555 -5.028 8.032 1.00 0.00 C ATOM 1186 CG LEU A 84 -2.173 -4.738 7.442 1.00 0.00 C ATOM 1187 CD1 LEU A 84 -1.525 -6.017 6.909 1.00 0.00 C ATOM 1188 CD2 LEU A 84 -2.253 -3.646 6.372 1.00 0.00 C ATOM 0 H LEU A 84 -3.338 -3.585 10.347 1.00 0.00 H new ATOM 0 HA LEU A 84 -4.528 -3.203 7.637 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -3.434 -5.718 8.867 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -4.150 -5.542 7.277 1.00 0.00 H new ATOM 0 HG LEU A 84 -1.532 -4.362 8.240 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -0.544 -5.783 6.495 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -1.414 -6.735 7.722 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -2.154 -6.446 6.129 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -1.258 -3.458 5.968 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -2.915 -3.971 5.569 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -2.643 -2.730 6.815 1.00 0.00 H new ATOM 1200 N GLN A 85 -6.670 -4.371 8.227 1.00 0.00 N ATOM 1201 CA GLN A 85 -8.018 -4.714 8.648 1.00 0.00 C ATOM 1202 C GLN A 85 -8.261 -6.215 8.481 1.00 0.00 C ATOM 1203 O GLN A 85 -8.165 -6.743 7.375 1.00 0.00 O ATOM 1204 CB GLN A 85 -9.057 -3.900 7.875 1.00 0.00 C ATOM 1205 CG GLN A 85 -10.448 -4.526 8.000 1.00 0.00 C ATOM 1206 CD GLN A 85 -11.484 -3.721 7.213 1.00 0.00 C ATOM 1207 OE1 GLN A 85 -11.701 -3.928 6.030 1.00 0.00 O ATOM 1208 NE2 GLN A 85 -12.110 -2.795 7.933 1.00 0.00 N ATOM 0 H GLN A 85 -6.542 -4.308 7.217 1.00 0.00 H new ATOM 0 HA GLN A 85 -8.122 -4.465 9.704 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -9.079 -2.878 8.254 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -8.772 -3.844 6.824 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -10.423 -5.552 7.632 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -10.738 -4.571 9.050 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -11.880 -2.674 8.919 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -12.820 -2.205 7.499 1.00 0.00 H new ATOM 1217 N ARG A 86 -8.572 -6.859 9.596 1.00 0.00 N ATOM 1218 CA ARG A 86 -8.830 -8.289 9.587 1.00 0.00 C ATOM 1219 C ARG A 86 -10.229 -8.573 9.035 1.00 0.00 C ATOM 1220 O ARG A 86 -11.224 -8.105 9.587 1.00 0.00 O ATOM 1221 CB ARG A 86 -8.715 -8.879 10.995 1.00 0.00 C ATOM 1222 CG ARG A 86 -7.262 -9.221 11.329 1.00 0.00 C ATOM 1223 CD ARG A 86 -6.375 -7.977 11.254 1.00 0.00 C ATOM 1224 NE ARG A 86 -5.009 -8.300 11.722 1.00 0.00 N ATOM 1225 CZ ARG A 86 -4.648 -8.347 13.012 1.00 0.00 C ATOM 1226 NH1 ARG A 86 -5.549 -8.090 13.969 1.00 0.00 N ATOM 1227 NH2 ARG A 86 -3.385 -8.649 13.344 1.00 0.00 N ATOM 0 H ARG A 86 -8.651 -6.417 10.512 1.00 0.00 H new ATOM 0 HA ARG A 86 -8.081 -8.757 8.947 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -9.102 -8.167 11.724 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -9.330 -9.776 11.069 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -7.207 -9.652 12.329 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -6.894 -9.977 10.635 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -6.339 -7.607 10.229 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -6.799 -7.181 11.866 1.00 0.00 H new ATOM 0 HE ARG A 86 -4.297 -8.499 11.019 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -6.510 -7.859 13.716 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -5.275 -8.126 14.951 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -2.699 -8.843 12.615 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -3.110 -8.685 14.326 1.00 0.00 H new ATOM 1241 N ALA A 87 -10.260 -9.338 7.954 1.00 0.00 N ATOM 1242 CA ALA A 87 -11.520 -9.689 7.322 1.00 0.00 C ATOM 1243 C ALA A 87 -11.464 -11.146 6.859 1.00 0.00 C ATOM 1244 O ALA A 87 -11.225 -11.419 5.683 1.00 0.00 O ATOM 1245 CB ALA A 87 -11.800 -8.722 6.170 1.00 0.00 C ATOM 0 H ALA A 87 -9.433 -9.725 7.500 1.00 0.00 H new ATOM 0 HA ALA A 87 -12.343 -9.599 8.031 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -12.745 -8.985 5.696 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -11.858 -7.704 6.555 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -10.996 -8.787 5.437 1.00 0.00 H new ATOM 1251 N SER A 88 -11.689 -12.044 7.807 1.00 0.00 N ATOM 1252 CA SER A 88 -11.667 -13.466 7.511 1.00 0.00 C ATOM 1253 C SER A 88 -12.941 -13.865 6.763 1.00 0.00 C ATOM 1254 O SER A 88 -13.884 -13.079 6.674 1.00 0.00 O ATOM 1255 CB SER A 88 -11.522 -14.293 8.790 1.00 0.00 C ATOM 1256 OG SER A 88 -10.247 -14.112 9.401 1.00 0.00 O ATOM 0 H SER A 88 -11.887 -11.814 8.781 1.00 0.00 H new ATOM 0 HA SER A 88 -10.803 -13.670 6.879 1.00 0.00 H new ATOM 0 HB2 SER A 88 -12.305 -14.012 9.494 1.00 0.00 H new ATOM 0 HB3 SER A 88 -11.666 -15.348 8.558 1.00 0.00 H new ATOM 0 HG SER A 88 -10.194 -14.655 10.215 1.00 0.00 H new ATOM 1262 N ALA A 89 -12.928 -15.084 6.245 1.00 0.00 N ATOM 1263 CA ALA A 89 -14.071 -15.596 5.508 1.00 0.00 C ATOM 1264 C ALA A 89 -15.027 -16.293 6.478 1.00 0.00 C ATOM 1265 O ALA A 89 -14.655 -17.269 7.128 1.00 0.00 O ATOM 1266 CB ALA A 89 -13.586 -16.528 4.397 1.00 0.00 C ATOM 0 H ALA A 89 -12.144 -15.732 6.321 1.00 0.00 H new ATOM 0 HA ALA A 89 -14.618 -14.781 5.034 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -14.443 -16.912 3.844 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -12.934 -15.977 3.719 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -13.034 -17.360 4.835 1.00 0.00 H new ATOM 1272 N ALA A 90 -16.240 -15.765 6.545 1.00 0.00 N ATOM 1273 CA ALA A 90 -17.253 -16.324 7.425 1.00 0.00 C ATOM 1274 C ALA A 90 -18.455 -16.774 6.591 1.00 0.00 C ATOM 1275 O ALA A 90 -19.423 -16.030 6.441 1.00 0.00 O ATOM 1276 CB ALA A 90 -17.633 -15.291 8.487 1.00 0.00 C ATOM 0 H ALA A 90 -16.545 -14.956 6.004 1.00 0.00 H new ATOM 0 HA ALA A 90 -16.868 -17.200 7.946 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -18.393 -15.710 9.147 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -16.751 -15.028 9.070 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -18.027 -14.398 8.002 1.00 0.00 H new ATOM 1282 N ALA A 91 -18.353 -17.988 6.071 1.00 0.00 N ATOM 1283 CA ALA A 91 -19.419 -18.545 5.256 1.00 0.00 C ATOM 1284 C ALA A 91 -19.138 -20.027 4.999 1.00 0.00 C ATOM 1285 O ALA A 91 -18.035 -20.392 4.595 1.00 0.00 O ATOM 1286 CB ALA A 91 -19.545 -17.742 3.960 1.00 0.00 C ATOM 0 H ALA A 91 -17.548 -18.602 6.198 1.00 0.00 H new ATOM 0 HA ALA A 91 -20.375 -18.476 5.776 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -20.345 -18.160 3.349 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -19.775 -16.703 4.197 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -18.605 -17.790 3.410 1.00 0.00 H new ATOM 1292 N LYS A 92 -20.154 -20.840 5.244 1.00 0.00 N ATOM 1293 CA LYS A 92 -20.030 -22.274 5.043 1.00 0.00 C ATOM 1294 C LYS A 92 -21.380 -22.842 4.600 1.00 0.00 C ATOM 1295 O LYS A 92 -22.409 -22.554 5.210 1.00 0.00 O ATOM 1296 CB LYS A 92 -19.464 -22.943 6.297 1.00 0.00 C ATOM 1297 CG LYS A 92 -20.342 -22.655 7.517 1.00 0.00 C ATOM 1298 CD LYS A 92 -20.167 -21.211 7.990 1.00 0.00 C ATOM 1299 CE LYS A 92 -20.044 -21.144 9.514 1.00 0.00 C ATOM 1300 NZ LYS A 92 -19.984 -19.737 9.968 1.00 0.00 N ATOM 0 H LYS A 92 -21.067 -20.534 5.580 1.00 0.00 H new ATOM 0 HA LYS A 92 -19.317 -22.486 4.246 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -19.396 -24.019 6.140 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -18.452 -22.583 6.480 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -21.388 -22.836 7.268 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -20.084 -23.340 8.325 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -19.278 -20.779 7.531 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -21.017 -20.612 7.664 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -20.895 -21.645 9.976 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -19.148 -21.675 9.836 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -19.901 -19.710 11.004 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -19.158 -19.270 9.542 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -20.851 -19.241 9.677 1.00 0.00 H new ATOM 1314 N SER A 93 -21.333 -23.638 3.542 1.00 0.00 N ATOM 1315 CA SER A 93 -22.539 -24.248 3.010 1.00 0.00 C ATOM 1316 C SER A 93 -22.437 -25.772 3.098 1.00 0.00 C ATOM 1317 O SER A 93 -21.666 -26.389 2.365 1.00 0.00 O ATOM 1318 CB SER A 93 -22.784 -23.815 1.563 1.00 0.00 C ATOM 1319 OG SER A 93 -24.079 -23.247 1.388 1.00 0.00 O ATOM 0 H SER A 93 -20.478 -23.875 3.039 1.00 0.00 H new ATOM 0 HA SER A 93 -23.385 -23.911 3.609 1.00 0.00 H new ATOM 0 HB2 SER A 93 -22.027 -23.088 1.269 1.00 0.00 H new ATOM 0 HB3 SER A 93 -22.673 -24.676 0.903 1.00 0.00 H new ATOM 0 HG SER A 93 -24.196 -22.982 0.452 1.00 0.00 H new ATOM 1325 N GLU A 94 -23.227 -26.335 4.001 1.00 0.00 N ATOM 1326 CA GLU A 94 -23.235 -27.775 4.194 1.00 0.00 C ATOM 1327 C GLU A 94 -24.478 -28.390 3.548 1.00 0.00 C ATOM 1328 O GLU A 94 -25.585 -28.252 4.067 1.00 0.00 O ATOM 1329 CB GLU A 94 -23.157 -28.130 5.680 1.00 0.00 C ATOM 1330 CG GLU A 94 -21.735 -28.534 6.073 1.00 0.00 C ATOM 1331 CD GLU A 94 -21.386 -29.918 5.522 1.00 0.00 C ATOM 1332 OE1 GLU A 94 -21.072 -29.986 4.314 1.00 0.00 O ATOM 1333 OE2 GLU A 94 -21.441 -30.877 6.322 1.00 0.00 O ATOM 0 H GLU A 94 -23.866 -25.820 4.607 1.00 0.00 H new ATOM 0 HA GLU A 94 -22.353 -28.192 3.708 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -23.475 -27.276 6.279 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -23.845 -28.947 5.899 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -21.026 -27.798 5.693 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -21.641 -28.537 7.159 1.00 0.00 H new ATOM 1340 N PRO A 95 -24.249 -29.074 2.395 1.00 0.00 N ATOM 1341 CA PRO A 95 -25.337 -29.710 1.673 1.00 0.00 C ATOM 1342 C PRO A 95 -25.791 -30.989 2.380 1.00 0.00 C ATOM 1343 O PRO A 95 -24.981 -31.874 2.650 1.00 0.00 O ATOM 1344 CB PRO A 95 -24.788 -29.966 0.279 1.00 0.00 C ATOM 1345 CG PRO A 95 -23.275 -29.891 0.406 1.00 0.00 C ATOM 1346 CD PRO A 95 -22.952 -29.258 1.750 1.00 0.00 C ATOM 0 HA PRO A 95 -26.231 -29.088 1.627 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -25.101 -30.943 -0.091 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -25.158 -29.224 -0.429 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -22.836 -30.886 0.337 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -22.852 -29.300 -0.406 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -22.302 -29.900 2.344 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -22.433 -28.307 1.625 1.00 0.00 H new ATOM 1354 N VAL A 96 -27.084 -31.044 2.661 1.00 0.00 N ATOM 1355 CA VAL A 96 -27.656 -32.199 3.333 1.00 0.00 C ATOM 1356 C VAL A 96 -28.689 -32.857 2.416 1.00 0.00 C ATOM 1357 O VAL A 96 -29.471 -32.169 1.762 1.00 0.00 O ATOM 1358 CB VAL A 96 -28.236 -31.784 4.686 1.00 0.00 C ATOM 1359 CG1 VAL A 96 -28.957 -32.955 5.356 1.00 0.00 C ATOM 1360 CG2 VAL A 96 -27.147 -31.216 5.599 1.00 0.00 C ATOM 0 H VAL A 96 -27.753 -30.307 2.436 1.00 0.00 H new ATOM 0 HA VAL A 96 -26.885 -32.941 3.540 1.00 0.00 H new ATOM 0 HB VAL A 96 -28.969 -30.997 4.509 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -29.360 -32.633 6.316 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -29.772 -33.295 4.716 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -28.254 -33.773 5.514 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -27.586 -30.929 6.554 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -26.380 -31.973 5.765 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -26.698 -30.341 5.129 1.00 0.00 H new ATOM 1370 N SER A 97 -28.657 -34.182 2.397 1.00 0.00 N ATOM 1371 CA SER A 97 -29.581 -34.940 1.571 1.00 0.00 C ATOM 1372 C SER A 97 -30.492 -35.795 2.455 1.00 0.00 C ATOM 1373 O SER A 97 -30.028 -36.724 3.115 1.00 0.00 O ATOM 1374 CB SER A 97 -28.830 -35.823 0.572 1.00 0.00 C ATOM 1375 OG SER A 97 -29.383 -35.735 -0.738 1.00 0.00 O ATOM 0 H SER A 97 -28.006 -34.749 2.940 1.00 0.00 H new ATOM 0 HA SER A 97 -30.191 -34.236 1.005 1.00 0.00 H new ATOM 0 HB2 SER A 97 -27.781 -35.527 0.544 1.00 0.00 H new ATOM 0 HB3 SER A 97 -28.860 -36.859 0.910 1.00 0.00 H new ATOM 0 HG SER A 97 -28.875 -36.311 -1.347 1.00 0.00 H new ATOM 1381 N SER A 98 -31.772 -35.452 2.438 1.00 0.00 N ATOM 1382 CA SER A 98 -32.751 -36.177 3.229 1.00 0.00 C ATOM 1383 C SER A 98 -33.084 -37.510 2.557 1.00 0.00 C ATOM 1384 O SER A 98 -33.249 -37.571 1.339 1.00 0.00 O ATOM 1385 CB SER A 98 -34.023 -35.349 3.424 1.00 0.00 C ATOM 1386 OG SER A 98 -33.878 -34.386 4.465 1.00 0.00 O ATOM 0 H SER A 98 -32.153 -34.682 1.889 1.00 0.00 H new ATOM 0 HA SER A 98 -32.321 -36.371 4.212 1.00 0.00 H new ATOM 0 HB2 SER A 98 -34.272 -34.841 2.492 1.00 0.00 H new ATOM 0 HB3 SER A 98 -34.856 -36.013 3.657 1.00 0.00 H new ATOM 0 HG SER A 98 -34.710 -33.877 4.558 1.00 0.00 H new ATOM 1392 N GLY A 99 -33.173 -38.545 3.379 1.00 0.00 N ATOM 1393 CA GLY A 99 -33.483 -39.874 2.879 1.00 0.00 C ATOM 1394 C GLY A 99 -32.547 -40.921 3.486 1.00 0.00 C ATOM 1395 O GLY A 99 -31.464 -41.170 2.960 1.00 0.00 O ATOM 0 H GLY A 99 -33.036 -38.490 4.388 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -34.517 -40.124 3.117 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -33.394 -39.888 1.793 1.00 0.00 H new ATOM 1399 N PRO A 100 -33.012 -41.521 4.615 1.00 0.00 N ATOM 1400 CA PRO A 100 -32.228 -42.535 5.300 1.00 0.00 C ATOM 1401 C PRO A 100 -32.264 -43.862 4.538 1.00 0.00 C ATOM 1402 O PRO A 100 -33.281 -44.213 3.942 1.00 0.00 O ATOM 1403 CB PRO A 100 -32.837 -42.631 6.689 1.00 0.00 C ATOM 1404 CG PRO A 100 -34.221 -42.010 6.582 1.00 0.00 C ATOM 1405 CD PRO A 100 -34.290 -41.251 5.267 1.00 0.00 C ATOM 0 HA PRO A 100 -31.170 -42.280 5.361 1.00 0.00 H new ATOM 0 HB2 PRO A 100 -32.899 -43.669 7.017 1.00 0.00 H new ATOM 0 HB3 PRO A 100 -32.227 -42.101 7.420 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -34.990 -42.782 6.618 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -34.404 -41.338 7.421 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -35.126 -41.592 4.656 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -34.432 -40.183 5.433 1.00 0.00 H new ATOM 1413 N SER A 101 -31.140 -44.563 4.583 1.00 0.00 N ATOM 1414 CA SER A 101 -31.030 -45.844 3.905 1.00 0.00 C ATOM 1415 C SER A 101 -30.924 -46.972 4.932 1.00 0.00 C ATOM 1416 O SER A 101 -30.247 -46.829 5.950 1.00 0.00 O ATOM 1417 CB SER A 101 -29.823 -45.867 2.965 1.00 0.00 C ATOM 1418 OG SER A 101 -29.464 -47.194 2.590 1.00 0.00 O ATOM 0 H SER A 101 -30.298 -44.268 5.078 1.00 0.00 H new ATOM 0 HA SER A 101 -31.928 -45.992 3.304 1.00 0.00 H new ATOM 0 HB2 SER A 101 -30.049 -45.286 2.071 1.00 0.00 H new ATOM 0 HB3 SER A 101 -28.975 -45.386 3.452 1.00 0.00 H new ATOM 0 HG SER A 101 -28.691 -47.166 1.989 1.00 0.00 H new ATOM 1424 N SER A 102 -31.603 -48.069 4.631 1.00 0.00 N ATOM 1425 CA SER A 102 -31.594 -49.222 5.516 1.00 0.00 C ATOM 1426 C SER A 102 -31.350 -50.499 4.709 1.00 0.00 C ATOM 1427 O SER A 102 -32.219 -50.938 3.957 1.00 0.00 O ATOM 1428 CB SER A 102 -32.906 -49.329 6.295 1.00 0.00 C ATOM 1429 OG SER A 102 -32.723 -49.940 7.569 1.00 0.00 O ATOM 0 H SER A 102 -32.163 -48.184 3.786 1.00 0.00 H new ATOM 0 HA SER A 102 -30.785 -49.094 6.236 1.00 0.00 H new ATOM 0 HB2 SER A 102 -33.331 -48.334 6.428 1.00 0.00 H new ATOM 0 HB3 SER A 102 -33.625 -49.908 5.716 1.00 0.00 H new ATOM 0 HG SER A 102 -33.584 -49.988 8.035 1.00 0.00 H new ATOM 1435 N GLY A 103 -30.163 -51.059 4.892 1.00 0.00 N ATOM 1436 CA GLY A 103 -29.794 -52.277 4.191 1.00 0.00 C ATOM 1437 C GLY A 103 -29.211 -53.311 5.156 1.00 0.00 C ATOM 1438 O GLY A 103 -28.244 -53.030 5.863 1.00 0.00 O ATOM 0 H GLY A 103 -29.444 -50.692 5.516 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -30.669 -52.693 3.692 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -29.064 -52.047 3.415 1.00 0.00 H new TER 1442 GLY A 103