USER MOD reduce.3.24.130724 H: found=0, std=0, add=534, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 143 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 68 HIS : no HD1:sc= -18.3! C(o=-29!,f=-29!) USER MOD Set 1.2: A 71 GLN : amide:sc= -10.2! C(o=-29!,f=-29!) USER MOD Set 2.1: A 24 TYR OH : rot -120:sc= -3.23! USER MOD Set 2.2: A 26 LYS NZ :NH3+ 146:sc= -1.68! (180deg=-3.44!) USER MOD Set 2.3: A 51 LYS NZ :NH3+ 160:sc= -7.15! (180deg=-9.3!) USER MOD Set 3.1: A 1 ILE N :NH3+ 135:sc= 0.595 (180deg=-0.61) USER MOD Set 3.2: A 15 THR OG1 : rot -87:sc= 2.17 USER MOD Set 4.1: A 5 THR OG1 : rot -86:sc= -6.05! USER MOD Set 4.2: A 64 LYS NZ :NH3+ -171:sc= 0.812 (180deg=0.195) USER MOD Single : A 4 HIS :FLIP no HD1:sc= -6.7! C(o=-7.3!,f=-6.7!) USER MOD Single : A 6 THR OG1 : rot 170:sc= 0 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 9:sc= 0.997 USER MOD Single : A 21 ASN : amide:sc= -0.982 X(o=-0.98,f=-0.84) USER MOD Single : A 27 MET CE :methyl -155:sc= -0.368 (180deg=-1.73!) USER MOD Single : A 34 SER OG : rot 32:sc= 0.439 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ -137:sc= -12.8! (180deg=-17.8!) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 TYR OH : rot 100:sc= -1.1 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0.843 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 ASN : amide:sc= -15.3! C(o=-15!,f=-15!) USER MOD Single : A 70 LYS NZ :NH3+ 162:sc= 0 (180deg=-0.469) USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A 1 4.212 13.732 -2.728 1.00 0.00 N ATOM 2 CA ILE A 1 3.656 13.704 -4.102 1.00 0.00 C ATOM 3 C ILE A 1 4.273 12.541 -4.880 1.00 0.00 C ATOM 4 O ILE A 1 5.410 12.615 -5.286 1.00 0.00 O ATOM 5 CB ILE A 1 3.910 15.013 -4.868 1.00 0.00 C ATOM 6 CG1 ILE A 1 3.149 16.152 -4.186 1.00 0.00 C ATOM 7 CG2 ILE A 1 3.519 14.904 -6.359 1.00 0.00 C ATOM 8 CD1 ILE A 1 3.601 17.529 -4.684 1.00 0.00 C ATOM 0 H1 ILE A 1 4.465 14.709 -2.476 1.00 0.00 H new ATOM 0 H2 ILE A 1 3.501 13.374 -2.059 1.00 0.00 H new ATOM 0 H3 ILE A 1 5.061 13.133 -2.685 1.00 0.00 H new ATOM 0 HA ILE A 1 2.577 13.579 -4.010 1.00 0.00 H new ATOM 0 HB ILE A 1 4.980 15.220 -4.843 1.00 0.00 H new ATOM 0 HG12 ILE A 1 2.081 16.034 -4.369 1.00 0.00 H new ATOM 0 HG13 ILE A 1 3.296 16.091 -3.108 1.00 0.00 H new ATOM 0 HG21 ILE A 1 3.717 15.853 -6.857 1.00 0.00 H new ATOM 0 HG22 ILE A 1 4.105 14.117 -6.832 1.00 0.00 H new ATOM 0 HG23 ILE A 1 2.459 14.665 -6.441 1.00 0.00 H new ATOM 0 HD11 ILE A 1 3.033 18.306 -4.172 1.00 0.00 H new ATOM 0 HD12 ILE A 1 4.663 17.660 -4.477 1.00 0.00 H new ATOM 0 HD13 ILE A 1 3.429 17.602 -5.758 1.00 0.00 H new ATOM 12 N VAL A 2 3.587 11.436 -5.012 1.00 0.00 N ATOM 13 CA VAL A 2 4.070 10.250 -5.736 1.00 0.00 C ATOM 14 C VAL A 2 2.942 9.240 -5.848 1.00 0.00 C ATOM 15 O VAL A 2 2.020 9.551 -6.536 1.00 0.00 O ATOM 16 CB VAL A 2 5.250 9.634 -5.021 1.00 0.00 C ATOM 17 CG1 VAL A 2 4.903 9.573 -3.521 1.00 0.00 C ATOM 18 CG2 VAL A 2 5.704 8.369 -5.791 1.00 0.00 C ATOM 0 H VAL A 2 2.654 11.315 -4.617 1.00 0.00 H new ATOM 0 HA VAL A 2 4.395 10.548 -6.733 1.00 0.00 H new ATOM 0 HB VAL A 2 6.173 10.214 -5.025 1.00 0.00 H new ATOM 0 HG11 VAL A 2 5.735 9.132 -2.973 1.00 0.00 H new ATOM 0 HG12 VAL A 2 4.717 10.581 -3.149 1.00 0.00 H new ATOM 0 HG13 VAL A 2 4.011 8.963 -3.378 1.00 0.00 H new ATOM 0 HG21 VAL A 2 6.556 7.919 -5.281 1.00 0.00 H new ATOM 0 HG22 VAL A 2 4.884 7.652 -5.829 1.00 0.00 H new ATOM 0 HG23 VAL A 2 5.993 8.645 -6.805 1.00 0.00 H new ATOM 20 N CYS A 3 2.893 8.190 -5.043 1.00 0.00 N ATOM 21 CA CYS A 3 1.880 7.169 -5.129 1.00 0.00 C ATOM 22 C CYS A 3 0.536 7.836 -4.990 1.00 0.00 C ATOM 23 O CYS A 3 0.368 8.676 -4.136 1.00 0.00 O ATOM 24 CB CYS A 3 2.122 6.335 -3.920 1.00 0.00 C ATOM 25 SG CYS A 3 1.503 6.757 -2.264 1.00 0.00 S ATOM 0 H CYS A 3 3.573 8.028 -4.300 1.00 0.00 H new ATOM 0 HA CYS A 3 1.905 6.600 -6.058 1.00 0.00 H new ATOM 0 HB2 CYS A 3 1.731 5.343 -4.149 1.00 0.00 H new ATOM 0 HB3 CYS A 3 3.204 6.238 -3.827 1.00 0.00 H new ATOM 27 N HIS A 4 -0.387 7.355 -5.772 1.00 0.00 N ATOM 28 CA HIS A 4 -1.722 7.943 -5.821 1.00 0.00 C ATOM 29 C HIS A 4 -2.789 6.859 -5.666 1.00 0.00 C ATOM 30 O HIS A 4 -3.637 6.686 -6.536 1.00 0.00 O ATOM 31 CB HIS A 4 -1.917 8.735 -7.120 1.00 0.00 C ATOM 32 CG HIS A 4 -0.964 9.912 -7.323 1.00 0.00 C ATOM 33 ND1 HIS A 4 -0.903 11.070 -6.676 1.00 0.00 N flip ATOM 34 CD2 HIS A 4 -0.065 9.961 -8.283 1.00 0.00 C flip ATOM 35 CE1 HIS A 4 0.051 11.823 -7.215 1.00 0.00 C flip ATOM 36 NE2 HIS A 4 0.562 11.133 -8.227 1.00 0.00 N flip ATOM 0 H HIS A 4 -0.253 6.556 -6.391 1.00 0.00 H new ATOM 0 HA HIS A 4 -1.827 8.639 -4.989 1.00 0.00 H new ATOM 0 HB2 HIS A 4 -1.806 8.051 -7.962 1.00 0.00 H new ATOM 0 HB3 HIS A 4 -2.940 9.110 -7.146 1.00 0.00 H new ATOM 0 HD2 HIS A 4 0.132 9.177 -9.000 1.00 0.00 H new ATOM 0 HE1 HIS A 4 0.353 12.808 -6.891 1.00 0.00 H new ATOM 0 HE2 HIS A 4 1.305 11.446 -8.852 1.00 0.00 H new ATOM 39 N THR A 5 -2.655 6.078 -4.591 1.00 0.00 N ATOM 40 CA THR A 5 -3.583 4.976 -4.279 1.00 0.00 C ATOM 41 C THR A 5 -3.905 4.904 -2.798 1.00 0.00 C ATOM 42 O THR A 5 -4.706 5.711 -2.375 1.00 0.00 O ATOM 43 CB THR A 5 -3.154 3.553 -4.586 1.00 0.00 C ATOM 44 OG1 THR A 5 -3.376 3.148 -5.785 1.00 0.00 O ATOM 45 CG2 THR A 5 -4.371 2.648 -4.375 1.00 0.00 C ATOM 0 H THR A 5 -1.903 6.187 -3.910 1.00 0.00 H new ATOM 0 HA THR A 5 -4.405 5.255 -4.939 1.00 0.00 H new ATOM 0 HB THR A 5 -2.169 3.528 -4.119 1.00 0.00 H new ATOM 0 HG1 THR A 5 -4.288 2.795 -5.847 1.00 0.00 H new ATOM 0 HG21 THR A 5 -4.097 1.615 -4.588 1.00 0.00 H new ATOM 0 HG22 THR A 5 -4.710 2.728 -3.342 1.00 0.00 H new ATOM 0 HG23 THR A 5 -5.174 2.956 -5.045 1.00 0.00 H new ATOM 48 N THR A 6 -3.424 3.846 -2.125 1.00 0.00 N ATOM 49 CA THR A 6 -3.857 3.541 -0.785 1.00 0.00 C ATOM 50 C THR A 6 -2.775 4.379 -0.106 1.00 0.00 C ATOM 51 O THR A 6 -2.448 5.448 -0.620 1.00 0.00 O ATOM 52 CB THR A 6 -3.874 2.024 -0.446 1.00 0.00 C ATOM 53 OG1 THR A 6 -4.521 1.105 -1.314 1.00 0.00 O ATOM 54 CG2 THR A 6 -4.136 1.623 1.001 1.00 0.00 C ATOM 0 H THR A 6 -2.734 3.197 -2.503 1.00 0.00 H new ATOM 0 HA THR A 6 -4.888 3.764 -0.509 1.00 0.00 H new ATOM 0 HB THR A 6 -2.810 1.911 -0.653 1.00 0.00 H new ATOM 0 HG1 THR A 6 -4.302 0.189 -1.043 1.00 0.00 H new ATOM 0 HG21 THR A 6 -4.118 0.536 1.086 1.00 0.00 H new ATOM 0 HG22 THR A 6 -3.365 2.050 1.642 1.00 0.00 H new ATOM 0 HG23 THR A 6 -5.112 1.995 1.311 1.00 0.00 H new ATOM 57 N ALA A 7 -2.439 4.010 1.110 1.00 0.00 N ATOM 58 CA ALA A 7 -1.559 4.759 2.032 1.00 0.00 C ATOM 59 C ALA A 7 -2.256 5.127 3.319 1.00 0.00 C ATOM 60 O ALA A 7 -2.570 6.305 3.462 1.00 0.00 O ATOM 61 CB ALA A 7 -0.832 6.002 1.437 1.00 0.00 C ATOM 0 H ALA A 7 -2.779 3.140 1.520 1.00 0.00 H new ATOM 0 HA ALA A 7 -0.766 4.040 2.237 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -0.217 6.467 2.207 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -0.199 5.690 0.607 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -1.571 6.719 1.080 1.00 0.00 H new ATOM 63 N THR A 8 -2.622 4.137 4.145 1.00 0.00 N ATOM 64 CA THR A 8 -3.446 4.410 5.353 1.00 0.00 C ATOM 65 C THR A 8 -4.908 4.482 4.919 1.00 0.00 C ATOM 66 O THR A 8 -5.451 5.589 4.831 1.00 0.00 O ATOM 67 CB THR A 8 -3.063 5.766 6.006 1.00 0.00 C ATOM 68 OG1 THR A 8 -1.720 5.691 6.438 1.00 0.00 O ATOM 69 CG2 THR A 8 -3.942 6.359 7.112 1.00 0.00 C ATOM 0 H THR A 8 -2.372 3.157 4.012 1.00 0.00 H new ATOM 0 HA THR A 8 -3.277 3.616 6.081 1.00 0.00 H new ATOM 0 HB THR A 8 -3.236 6.481 5.201 1.00 0.00 H new ATOM 0 HG1 THR A 8 -1.461 6.541 6.852 1.00 0.00 H new ATOM 0 HG21 THR A 8 -3.518 7.306 7.445 1.00 0.00 H new ATOM 0 HG22 THR A 8 -4.948 6.527 6.727 1.00 0.00 H new ATOM 0 HG23 THR A 8 -3.987 5.666 7.952 1.00 0.00 H new ATOM 72 N SER A 9 -5.440 3.338 4.453 1.00 0.00 N ATOM 73 CA SER A 9 -6.868 3.170 4.084 1.00 0.00 C ATOM 74 C SER A 9 -7.148 3.308 2.558 1.00 0.00 C ATOM 75 O SER A 9 -6.299 2.893 1.795 1.00 0.00 O ATOM 76 CB SER A 9 -7.705 4.137 4.931 1.00 0.00 C ATOM 77 OG SER A 9 -7.815 3.987 6.317 1.00 0.00 O ATOM 0 H SER A 9 -4.889 2.491 4.318 1.00 0.00 H new ATOM 0 HA SER A 9 -7.160 2.143 4.305 1.00 0.00 H new ATOM 0 HB2 SER A 9 -7.312 5.138 4.751 1.00 0.00 H new ATOM 0 HB3 SER A 9 -8.718 4.115 4.529 1.00 0.00 H new ATOM 0 HG SER A 9 -8.386 4.697 6.679 1.00 0.00 H new ATOM 80 N PRO A 10 -8.268 3.832 2.027 1.00 0.00 N ATOM 81 CA PRO A 10 -8.460 4.022 0.580 1.00 0.00 C ATOM 82 C PRO A 10 -7.631 5.176 0.012 1.00 0.00 C ATOM 83 O PRO A 10 -7.362 5.205 -1.186 1.00 0.00 O ATOM 84 CB PRO A 10 -9.965 4.283 0.451 1.00 0.00 C ATOM 85 CG PRO A 10 -10.339 5.024 1.726 1.00 0.00 C ATOM 86 CD PRO A 10 -9.568 4.135 2.665 1.00 0.00 C ATOM 0 HA PRO A 10 -8.124 3.158 0.007 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -10.189 4.879 -0.434 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -10.522 3.351 0.357 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -10.003 6.061 1.738 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -11.411 5.034 1.922 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -9.418 4.630 3.624 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -10.121 3.217 2.863 1.00 0.00 H new ATOM 87 N ILE A 11 -7.352 6.177 0.858 1.00 0.00 N ATOM 88 CA ILE A 11 -6.544 7.366 0.481 1.00 0.00 C ATOM 89 C ILE A 11 -7.326 8.011 -0.641 1.00 0.00 C ATOM 90 O ILE A 11 -8.519 7.776 -0.768 1.00 0.00 O ATOM 91 CB ILE A 11 -5.098 6.961 0.081 1.00 0.00 C ATOM 92 CG1 ILE A 11 -4.401 6.659 1.361 1.00 0.00 C ATOM 93 CG2 ILE A 11 -4.095 7.954 -0.518 1.00 0.00 C ATOM 94 CD1 ILE A 11 -4.922 5.386 1.973 1.00 0.00 C ATOM 0 H ILE A 11 -7.676 6.194 1.825 1.00 0.00 H new ATOM 0 HA ILE A 11 -6.400 8.066 1.304 1.00 0.00 H new ATOM 0 HB ILE A 11 -5.301 6.215 -0.687 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -3.329 6.569 1.183 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -4.540 7.485 2.058 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -3.152 7.444 -0.717 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -4.493 8.356 -1.450 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -3.925 8.769 0.186 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -4.396 5.189 2.907 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -5.989 5.488 2.172 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -4.759 4.558 1.283 1.00 0.00 H new ATOM 96 N SER A 12 -6.620 8.768 -1.441 1.00 0.00 N ATOM 97 CA SER A 12 -7.145 9.467 -2.608 1.00 0.00 C ATOM 98 C SER A 12 -6.015 10.087 -3.409 1.00 0.00 C ATOM 99 O SER A 12 -6.165 11.228 -3.824 1.00 0.00 O ATOM 100 CB SER A 12 -8.069 10.581 -2.108 1.00 0.00 C ATOM 101 OG SER A 12 -9.281 9.982 -1.674 1.00 0.00 O ATOM 0 H SER A 12 -5.622 8.927 -1.300 1.00 0.00 H new ATOM 0 HA SER A 12 -7.680 8.766 -3.248 1.00 0.00 H new ATOM 0 HB2 SER A 12 -7.599 11.128 -1.290 1.00 0.00 H new ATOM 0 HB3 SER A 12 -8.263 11.301 -2.903 1.00 0.00 H new ATOM 0 HG SER A 12 -9.178 9.008 -1.661 1.00 0.00 H new ATOM 104 N ALA A 13 -4.862 9.412 -3.467 1.00 0.00 N ATOM 105 CA ALA A 13 -3.697 9.896 -4.216 1.00 0.00 C ATOM 106 C ALA A 13 -2.668 10.412 -3.246 1.00 0.00 C ATOM 107 O ALA A 13 -1.534 10.159 -3.578 1.00 0.00 O ATOM 108 CB ALA A 13 -3.871 10.977 -5.298 1.00 0.00 C ATOM 0 H ALA A 13 -4.710 8.519 -2.998 1.00 0.00 H new ATOM 0 HA ALA A 13 -3.419 9.005 -4.779 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -2.902 11.207 -5.742 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -4.547 10.612 -6.071 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -4.287 11.879 -4.848 1.00 0.00 H new ATOM 110 N VAL A 14 -3.102 10.973 -2.102 1.00 0.00 N ATOM 111 CA VAL A 14 -2.270 11.490 -0.991 1.00 0.00 C ATOM 112 C VAL A 14 -0.833 11.545 -1.407 1.00 0.00 C ATOM 113 O VAL A 14 -0.470 12.655 -1.746 1.00 0.00 O ATOM 114 CB VAL A 14 -2.412 10.746 0.348 1.00 0.00 C ATOM 115 CG1 VAL A 14 -1.337 11.091 1.397 1.00 0.00 C ATOM 116 CG2 VAL A 14 -3.758 11.141 0.939 1.00 0.00 C ATOM 0 H VAL A 14 -4.098 11.086 -1.914 1.00 0.00 H new ATOM 0 HA VAL A 14 -2.655 12.491 -0.793 1.00 0.00 H new ATOM 0 HB VAL A 14 -2.308 9.683 0.130 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -1.519 10.519 2.307 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -0.351 10.843 1.003 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -1.379 12.156 1.624 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -3.899 10.633 1.893 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -3.785 12.220 1.094 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -4.555 10.853 0.253 1.00 0.00 H new ATOM 118 N THR A 15 -0.198 10.364 -1.349 1.00 0.00 N ATOM 119 CA THR A 15 1.142 10.081 -1.861 1.00 0.00 C ATOM 120 C THR A 15 2.028 9.887 -0.663 1.00 0.00 C ATOM 121 O THR A 15 3.198 10.243 -0.754 1.00 0.00 O ATOM 122 CB THR A 15 1.771 11.199 -2.695 1.00 0.00 C ATOM 123 OG1 THR A 15 2.040 12.315 -1.834 1.00 0.00 O ATOM 124 CG2 THR A 15 0.968 11.566 -3.946 1.00 0.00 C ATOM 0 H THR A 15 -0.630 9.544 -0.922 1.00 0.00 H new ATOM 0 HA THR A 15 1.050 9.215 -2.517 1.00 0.00 H new ATOM 0 HB THR A 15 2.713 10.838 -3.108 1.00 0.00 H new ATOM 0 HG1 THR A 15 1.244 12.885 -1.778 1.00 0.00 H new ATOM 0 HG21 THR A 15 1.478 12.365 -4.484 1.00 0.00 H new ATOM 0 HG22 THR A 15 0.881 10.692 -4.592 1.00 0.00 H new ATOM 0 HG23 THR A 15 -0.027 11.902 -3.654 1.00 0.00 H new ATOM 127 N CYS A 16 1.431 9.405 0.432 1.00 0.00 N ATOM 128 CA CYS A 16 2.156 9.141 1.663 1.00 0.00 C ATOM 129 C CYS A 16 2.652 10.465 2.274 1.00 0.00 C ATOM 130 O CYS A 16 2.092 11.519 1.955 1.00 0.00 O ATOM 131 CB CYS A 16 3.251 8.205 1.165 1.00 0.00 C ATOM 132 SG CYS A 16 4.915 8.888 0.700 1.00 0.00 S ATOM 0 H CYS A 16 0.435 9.190 0.482 1.00 0.00 H new ATOM 0 HA CYS A 16 1.588 8.693 2.478 1.00 0.00 H new ATOM 0 HB2 CYS A 16 3.413 7.455 1.939 1.00 0.00 H new ATOM 0 HB3 CYS A 16 2.859 7.683 0.292 1.00 0.00 H new ATOM 134 N PRO A 17 3.683 10.402 3.129 1.00 0.00 N ATOM 135 CA PRO A 17 4.263 11.594 3.730 1.00 0.00 C ATOM 136 C PRO A 17 5.121 12.387 2.701 1.00 0.00 C ATOM 137 O PRO A 17 4.762 12.436 1.518 1.00 0.00 O ATOM 138 CB PRO A 17 4.907 10.888 4.942 1.00 0.00 C ATOM 139 CG PRO A 17 5.594 9.688 4.349 1.00 0.00 C ATOM 140 CD PRO A 17 4.263 9.222 3.827 1.00 0.00 C ATOM 0 HA PRO A 17 3.641 12.432 4.045 1.00 0.00 H new ATOM 0 HB2 PRO A 17 5.615 11.540 5.453 1.00 0.00 H new ATOM 0 HB3 PRO A 17 4.157 10.595 5.677 1.00 0.00 H new ATOM 0 HG2 PRO A 17 6.339 9.911 3.585 1.00 0.00 H new ATOM 0 HG3 PRO A 17 6.067 9.022 5.070 1.00 0.00 H new ATOM 0 HD2 PRO A 17 4.380 8.380 3.145 1.00 0.00 H new ATOM 0 HD3 PRO A 17 3.617 8.888 4.639 1.00 0.00 H new ATOM 141 N PRO A 18 6.191 13.077 3.145 1.00 0.00 N ATOM 142 CA PRO A 18 7.065 13.860 2.265 1.00 0.00 C ATOM 143 C PRO A 18 7.912 12.919 1.394 1.00 0.00 C ATOM 144 O PRO A 18 7.397 12.233 0.513 1.00 0.00 O ATOM 145 CB PRO A 18 7.858 14.733 3.258 1.00 0.00 C ATOM 146 CG PRO A 18 8.052 13.843 4.479 1.00 0.00 C ATOM 147 CD PRO A 18 6.656 13.275 4.539 1.00 0.00 C ATOM 0 HA PRO A 18 6.557 14.487 1.532 1.00 0.00 H new ATOM 0 HB2 PRO A 18 8.814 15.043 2.837 1.00 0.00 H new ATOM 0 HB3 PRO A 18 7.312 15.641 3.512 1.00 0.00 H new ATOM 0 HG2 PRO A 18 8.817 13.080 4.334 1.00 0.00 H new ATOM 0 HG3 PRO A 18 8.324 14.401 5.375 1.00 0.00 H new ATOM 0 HD2 PRO A 18 6.650 12.330 5.082 1.00 0.00 H new ATOM 0 HD3 PRO A 18 5.990 13.953 5.072 1.00 0.00 H new ATOM 148 N GLY A 19 9.221 12.909 1.670 1.00 0.00 N ATOM 149 CA GLY A 19 10.201 12.129 0.899 1.00 0.00 C ATOM 150 C GLY A 19 10.435 12.716 -0.496 1.00 0.00 C ATOM 151 O GLY A 19 11.456 12.413 -1.102 1.00 0.00 O ATOM 0 H GLY A 19 9.633 13.442 2.436 1.00 0.00 H new ATOM 0 HA2 GLY A 19 11.146 12.097 1.442 1.00 0.00 H new ATOM 0 HA3 GLY A 19 9.852 11.101 0.805 1.00 0.00 H new ATOM 153 N GLU A 20 9.498 13.552 -0.961 1.00 0.00 N ATOM 154 CA GLU A 20 9.579 14.238 -2.263 1.00 0.00 C ATOM 155 C GLU A 20 9.548 13.202 -3.378 1.00 0.00 C ATOM 156 O GLU A 20 10.554 13.018 -4.062 1.00 0.00 O ATOM 157 CB GLU A 20 10.883 15.048 -2.360 1.00 0.00 C ATOM 158 CG GLU A 20 10.869 16.247 -1.431 1.00 0.00 C ATOM 159 CD GLU A 20 9.904 17.262 -2.028 1.00 0.00 C ATOM 160 OE1 GLU A 20 8.702 17.170 -1.691 1.00 0.00 O ATOM 161 OE2 GLU A 20 10.395 18.086 -2.827 1.00 0.00 O ATOM 0 H GLU A 20 8.651 13.776 -0.439 1.00 0.00 H new ATOM 0 HA GLU A 20 8.732 14.917 -2.359 1.00 0.00 H new ATOM 0 HB2 GLU A 20 11.729 14.407 -2.114 1.00 0.00 H new ATOM 0 HB3 GLU A 20 11.027 15.385 -3.387 1.00 0.00 H new ATOM 0 HG2 GLU A 20 10.551 15.955 -0.430 1.00 0.00 H new ATOM 0 HG3 GLU A 20 11.868 16.674 -1.337 1.00 0.00 H new ATOM 163 N ASN A 21 8.406 12.510 -3.447 1.00 0.00 N ATOM 164 CA ASN A 21 8.159 11.414 -4.400 1.00 0.00 C ATOM 165 C ASN A 21 8.467 10.156 -3.599 1.00 0.00 C ATOM 166 O ASN A 21 9.316 10.196 -2.715 1.00 0.00 O ATOM 167 CB ASN A 21 8.987 11.461 -5.709 1.00 0.00 C ATOM 168 CG ASN A 21 8.680 12.726 -6.508 1.00 0.00 C ATOM 169 OD1 ASN A 21 9.478 13.558 -6.909 1.00 0.00 O ATOM 170 ND2 ASN A 21 7.423 12.796 -6.814 1.00 0.00 N ATOM 0 H ASN A 21 7.612 12.696 -2.834 1.00 0.00 H new ATOM 0 HA ASN A 21 7.136 11.473 -4.771 1.00 0.00 H new ATOM 0 HB2 ASN A 21 10.050 11.426 -5.472 1.00 0.00 H new ATOM 0 HB3 ASN A 21 8.766 10.582 -6.315 1.00 0.00 H new ATOM 0 HD21 ASN A 21 7.083 13.557 -7.401 1.00 0.00 H new ATOM 0 HD22 ASN A 21 6.774 12.090 -6.468 1.00 0.00 H new ATOM 174 N LEU A 22 7.831 9.066 -3.994 1.00 0.00 N ATOM 175 CA LEU A 22 7.979 7.673 -3.513 1.00 0.00 C ATOM 176 C LEU A 22 6.877 7.344 -2.505 1.00 0.00 C ATOM 177 O LEU A 22 6.437 8.184 -1.731 1.00 0.00 O ATOM 178 CB LEU A 22 9.345 7.419 -2.873 1.00 0.00 C ATOM 179 CG LEU A 22 10.553 7.574 -3.827 1.00 0.00 C ATOM 180 CD1 LEU A 22 10.814 8.770 -4.769 1.00 0.00 C ATOM 181 CD2 LEU A 22 11.838 7.395 -3.063 1.00 0.00 C ATOM 0 H LEU A 22 7.127 9.123 -4.730 1.00 0.00 H new ATOM 0 HA LEU A 22 7.895 7.025 -4.385 1.00 0.00 H new ATOM 0 HB2 LEU A 22 9.471 8.107 -2.037 1.00 0.00 H new ATOM 0 HB3 LEU A 22 9.354 6.410 -2.460 1.00 0.00 H new ATOM 0 HG LEU A 22 10.222 6.812 -4.533 1.00 0.00 H new ATOM 0 HD11 LEU A 22 11.740 8.604 -5.320 1.00 0.00 H new ATOM 0 HD12 LEU A 22 9.986 8.867 -5.471 1.00 0.00 H new ATOM 0 HD13 LEU A 22 10.900 9.684 -4.181 1.00 0.00 H new ATOM 0 HD21 LEU A 22 12.683 7.506 -3.742 1.00 0.00 H new ATOM 0 HD22 LEU A 22 11.902 8.148 -2.278 1.00 0.00 H new ATOM 0 HD23 LEU A 22 11.860 6.401 -2.615 1.00 0.00 H new ATOM 183 N CYS A 23 6.595 6.068 -2.371 1.00 0.00 N ATOM 184 CA CYS A 23 5.569 5.611 -1.433 1.00 0.00 C ATOM 185 C CYS A 23 5.748 4.142 -1.151 1.00 0.00 C ATOM 186 O CYS A 23 5.493 3.306 -2.016 1.00 0.00 O ATOM 187 CB CYS A 23 4.165 5.727 -1.966 1.00 0.00 C ATOM 188 SG CYS A 23 3.382 7.356 -1.836 1.00 0.00 S ATOM 0 H CYS A 23 7.055 5.322 -2.894 1.00 0.00 H new ATOM 0 HA CYS A 23 5.691 6.247 -0.556 1.00 0.00 H new ATOM 0 HB2 CYS A 23 4.174 5.436 -3.016 1.00 0.00 H new ATOM 0 HB3 CYS A 23 3.540 5.005 -1.440 1.00 0.00 H new ATOM 190 N TYR A 24 6.208 3.869 0.057 1.00 0.00 N ATOM 191 CA TYR A 24 6.446 2.476 0.458 1.00 0.00 C ATOM 192 C TYR A 24 5.185 1.605 0.238 1.00 0.00 C ATOM 193 O TYR A 24 4.054 1.918 0.583 1.00 0.00 O ATOM 194 CB TYR A 24 7.033 2.481 1.882 1.00 0.00 C ATOM 195 CG TYR A 24 6.109 2.102 3.037 1.00 0.00 C ATOM 196 CD1 TYR A 24 4.757 2.270 2.931 1.00 0.00 C ATOM 197 CD2 TYR A 24 6.527 1.343 4.079 1.00 0.00 C ATOM 198 CE1 TYR A 24 3.772 1.619 3.626 1.00 0.00 C ATOM 199 CE2 TYR A 24 5.553 0.804 4.902 1.00 0.00 C ATOM 200 CZ TYR A 24 4.196 0.865 4.663 1.00 0.00 C ATOM 201 OH TYR A 24 3.283 0.360 5.509 1.00 0.00 O ATOM 0 H TYR A 24 6.423 4.567 0.769 1.00 0.00 H new ATOM 0 HA TYR A 24 7.188 1.991 -0.177 1.00 0.00 H new ATOM 0 HB2 TYR A 24 7.883 1.799 1.896 1.00 0.00 H new ATOM 0 HB3 TYR A 24 7.423 3.480 2.079 1.00 0.00 H new ATOM 0 HD1 TYR A 24 4.425 3.005 2.213 1.00 0.00 H new ATOM 0 HD2 TYR A 24 7.577 1.166 4.260 1.00 0.00 H new ATOM 0 HE1 TYR A 24 2.728 1.703 3.363 1.00 0.00 H new ATOM 0 HE2 TYR A 24 5.880 0.298 5.798 1.00 0.00 H new ATOM 0 HH TYR A 24 3.456 0.694 6.414 1.00 0.00 H new ATOM 208 N ARG A 25 5.268 0.622 -0.605 1.00 0.00 N ATOM 209 CA ARG A 25 4.072 -0.217 -0.696 1.00 0.00 C ATOM 210 C ARG A 25 4.257 -1.501 0.082 1.00 0.00 C ATOM 211 O ARG A 25 5.308 -2.119 -0.008 1.00 0.00 O ATOM 212 CB ARG A 25 3.544 -0.267 -2.115 1.00 0.00 C ATOM 213 CG ARG A 25 2.445 -1.322 -2.226 1.00 0.00 C ATOM 214 CD ARG A 25 2.065 -1.531 -3.676 1.00 0.00 C ATOM 215 NE ARG A 25 2.778 -2.682 -4.209 1.00 0.00 N ATOM 216 CZ ARG A 25 2.396 -3.931 -4.004 1.00 0.00 C ATOM 217 NH1 ARG A 25 1.312 -4.203 -3.288 1.00 0.00 N ATOM 218 NH2 ARG A 25 3.124 -4.912 -4.499 1.00 0.00 N ATOM 0 H ARG A 25 6.062 0.379 -1.197 1.00 0.00 H new ATOM 0 HA ARG A 25 3.222 0.227 -0.178 1.00 0.00 H new ATOM 0 HB2 ARG A 25 3.153 0.709 -2.401 1.00 0.00 H new ATOM 0 HB3 ARG A 25 4.355 -0.500 -2.805 1.00 0.00 H new ATOM 0 HG2 ARG A 25 2.788 -2.262 -1.793 1.00 0.00 H new ATOM 0 HG3 ARG A 25 1.571 -1.009 -1.655 1.00 0.00 H new ATOM 0 HD2 ARG A 25 0.989 -1.686 -3.761 1.00 0.00 H new ATOM 0 HD3 ARG A 25 2.306 -0.641 -4.257 1.00 0.00 H new ATOM 0 HE ARG A 25 3.614 -2.517 -4.769 1.00 0.00 H new ATOM 0 HH11 ARG A 25 0.761 -3.443 -2.888 1.00 0.00 H new ATOM 0 HH12 ARG A 25 1.029 -5.172 -3.138 1.00 0.00 H new ATOM 0 HH21 ARG A 25 3.968 -4.702 -5.031 1.00 0.00 H new ATOM 0 HH22 ARG A 25 2.843 -5.881 -4.350 1.00 0.00 H new ATOM 225 N LYS A 26 3.336 -1.738 1.002 1.00 0.00 N ATOM 226 CA LYS A 26 3.401 -2.987 1.762 1.00 0.00 C ATOM 227 C LYS A 26 1.988 -3.479 2.002 1.00 0.00 C ATOM 228 O LYS A 26 1.141 -2.616 2.135 1.00 0.00 O ATOM 229 CB LYS A 26 4.105 -2.735 3.089 1.00 0.00 C ATOM 230 CG LYS A 26 4.304 -4.133 3.664 1.00 0.00 C ATOM 231 CD LYS A 26 5.005 -4.140 4.985 1.00 0.00 C ATOM 232 CE LYS A 26 5.393 -5.353 5.806 1.00 0.00 C ATOM 233 NZ LYS A 26 5.883 -4.915 7.129 1.00 0.00 N ATOM 0 H LYS A 26 2.563 -1.115 1.238 1.00 0.00 H new ATOM 0 HA LYS A 26 3.960 -3.741 1.208 1.00 0.00 H new ATOM 0 HB2 LYS A 26 5.056 -2.222 2.947 1.00 0.00 H new ATOM 0 HB3 LYS A 26 3.502 -2.112 3.750 1.00 0.00 H new ATOM 0 HG2 LYS A 26 3.332 -4.614 3.775 1.00 0.00 H new ATOM 0 HG3 LYS A 26 4.876 -4.731 2.955 1.00 0.00 H new ATOM 0 HD2 LYS A 26 5.933 -3.592 4.823 1.00 0.00 H new ATOM 0 HD3 LYS A 26 4.386 -3.531 5.644 1.00 0.00 H new ATOM 0 HE2 LYS A 26 4.535 -6.015 5.925 1.00 0.00 H new ATOM 0 HE3 LYS A 26 6.166 -5.923 5.290 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 5.614 -5.616 7.848 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 6.919 -4.826 7.103 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 5.462 -3.994 7.368 1.00 0.00 H new ATOM 238 N MET A 27 1.828 -4.777 2.257 1.00 0.00 N ATOM 239 CA MET A 27 0.560 -5.479 2.519 1.00 0.00 C ATOM 240 C MET A 27 -0.233 -5.654 1.250 1.00 0.00 C ATOM 241 O MET A 27 0.184 -5.136 0.217 1.00 0.00 O ATOM 242 CB MET A 27 -0.296 -4.738 3.518 1.00 0.00 C ATOM 243 CG MET A 27 0.494 -4.746 4.799 1.00 0.00 C ATOM 244 SD MET A 27 0.378 -6.275 5.756 1.00 0.00 S ATOM 245 CE MET A 27 -1.380 -6.220 6.025 1.00 0.00 C ATOM 0 H MET A 27 2.626 -5.411 2.289 1.00 0.00 H new ATOM 0 HA MET A 27 0.826 -6.453 2.929 1.00 0.00 H new ATOM 0 HB2 MET A 27 -0.496 -3.719 3.186 1.00 0.00 H new ATOM 0 HB3 MET A 27 -1.262 -5.227 3.648 1.00 0.00 H new ATOM 0 HG2 MET A 27 1.542 -4.561 4.564 1.00 0.00 H new ATOM 0 HG3 MET A 27 0.156 -3.918 5.422 1.00 0.00 H new ATOM 0 HE1 MET A 27 -1.628 -6.781 6.926 1.00 0.00 H new ATOM 0 HE2 MET A 27 -1.698 -5.184 6.143 1.00 0.00 H new ATOM 0 HE3 MET A 27 -1.893 -6.661 5.170 1.00 0.00 H new ATOM 247 N TRP A 28 -1.300 -6.437 1.376 1.00 0.00 N ATOM 248 CA TRP A 28 -2.171 -6.816 0.244 1.00 0.00 C ATOM 249 C TRP A 28 -3.038 -8.020 0.570 1.00 0.00 C ATOM 250 O TRP A 28 -4.245 -8.047 0.361 1.00 0.00 O ATOM 251 CB TRP A 28 -1.341 -7.094 -1.015 1.00 0.00 C ATOM 252 CG TRP A 28 -2.142 -7.435 -2.248 1.00 0.00 C ATOM 253 CD1 TRP A 28 -2.784 -6.612 -3.070 1.00 0.00 C ATOM 254 CD2 TRP A 28 -2.303 -8.722 -2.699 1.00 0.00 C ATOM 255 NE1 TRP A 28 -3.333 -7.345 -4.041 1.00 0.00 N ATOM 256 CE2 TRP A 28 -3.068 -8.632 -3.841 1.00 0.00 C ATOM 257 CE3 TRP A 28 -1.885 -9.946 -2.210 1.00 0.00 C ATOM 258 CZ2 TRP A 28 -3.439 -9.780 -4.519 1.00 0.00 C ATOM 259 CZ3 TRP A 28 -2.209 -11.093 -2.917 1.00 0.00 C ATOM 260 CH2 TRP A 28 -2.981 -11.012 -4.068 1.00 0.00 C ATOM 0 H TRP A 28 -1.595 -6.834 2.268 1.00 0.00 H new ATOM 0 HA TRP A 28 -2.832 -5.970 0.056 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -0.729 -6.217 -1.229 1.00 0.00 H new ATOM 0 HB3 TRP A 28 -0.657 -7.917 -0.806 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -2.850 -5.539 -2.970 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -3.875 -6.973 -4.821 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -1.316 -10.007 -1.294 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -4.077 -9.719 -5.388 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 -1.859 -12.054 -2.571 1.00 0.00 H new ATOM 0 HH2 TRP A 28 -3.227 -11.910 -4.615 1.00 0.00 H new ATOM 268 N CYS A 29 -2.405 -8.930 1.273 1.00 0.00 N ATOM 269 CA CYS A 29 -3.012 -10.206 1.607 1.00 0.00 C ATOM 270 C CYS A 29 -2.999 -10.285 3.124 1.00 0.00 C ATOM 271 O CYS A 29 -2.324 -11.168 3.634 1.00 0.00 O ATOM 272 CB CYS A 29 -2.225 -11.362 0.967 1.00 0.00 C ATOM 273 SG CYS A 29 -3.133 -12.885 1.334 1.00 0.00 S ATOM 0 H CYS A 29 -1.457 -8.811 1.631 1.00 0.00 H new ATOM 0 HA CYS A 29 -4.030 -10.288 1.225 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -2.133 -11.217 -0.109 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -1.213 -11.409 1.369 1.00 0.00 H new ATOM 275 N ASP A 30 -3.619 -9.294 3.782 1.00 0.00 N ATOM 276 CA ASP A 30 -3.762 -9.225 5.257 1.00 0.00 C ATOM 277 C ASP A 30 -2.750 -10.096 6.008 1.00 0.00 C ATOM 278 O ASP A 30 -1.632 -9.670 6.284 1.00 0.00 O ATOM 279 CB ASP A 30 -5.173 -9.660 5.658 1.00 0.00 C ATOM 280 CG ASP A 30 -6.133 -8.603 5.208 1.00 0.00 C ATOM 281 OD1 ASP A 30 -6.098 -7.626 5.950 1.00 0.00 O ATOM 282 OD2 ASP A 30 -6.784 -8.807 4.162 1.00 0.00 O ATOM 0 H ASP A 30 -4.045 -8.501 3.302 1.00 0.00 H new ATOM 0 HA ASP A 30 -3.572 -8.189 5.536 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -5.420 -10.618 5.200 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -5.236 -9.797 6.738 1.00 0.00 H new ATOM 284 N ALA A 31 -3.122 -11.372 6.099 1.00 0.00 N ATOM 285 CA ALA A 31 -2.258 -12.466 6.558 1.00 0.00 C ATOM 286 C ALA A 31 -2.978 -13.815 6.478 1.00 0.00 C ATOM 287 O ALA A 31 -2.441 -14.847 6.866 1.00 0.00 O ATOM 288 CB ALA A 31 -1.935 -12.204 8.020 1.00 0.00 C ATOM 0 H ALA A 31 -4.060 -11.685 5.849 1.00 0.00 H new ATOM 0 HA ALA A 31 -1.368 -12.505 5.930 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -1.292 -12.999 8.399 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -1.422 -11.247 8.113 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -2.859 -12.178 8.598 1.00 0.00 H new ATOM 290 N PHE A 32 -4.234 -13.759 6.054 1.00 0.00 N ATOM 291 CA PHE A 32 -5.070 -14.951 5.975 1.00 0.00 C ATOM 292 C PHE A 32 -5.250 -15.429 4.549 1.00 0.00 C ATOM 293 O PHE A 32 -5.838 -16.494 4.388 1.00 0.00 O ATOM 294 CB PHE A 32 -6.420 -14.683 6.635 1.00 0.00 C ATOM 295 CG PHE A 32 -6.215 -14.628 8.144 1.00 0.00 C ATOM 296 CD1 PHE A 32 -6.066 -15.810 8.856 1.00 0.00 C ATOM 297 CD2 PHE A 32 -6.173 -13.400 8.789 1.00 0.00 C ATOM 298 CE1 PHE A 32 -5.869 -15.765 10.229 1.00 0.00 C ATOM 299 CE2 PHE A 32 -5.984 -13.357 10.164 1.00 0.00 C ATOM 300 CZ PHE A 32 -5.831 -14.538 10.882 1.00 0.00 C ATOM 0 H PHE A 32 -4.697 -12.900 5.759 1.00 0.00 H new ATOM 0 HA PHE A 32 -4.562 -15.752 6.513 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -6.838 -13.743 6.275 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -7.131 -15.468 6.377 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -6.103 -16.760 8.344 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -6.286 -12.485 8.226 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -5.746 -16.680 10.789 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -5.956 -12.406 10.676 1.00 0.00 H new ATOM 0 HZ PHE A 32 -5.682 -14.502 11.951 1.00 0.00 H new ATOM 307 N CYS A 33 -4.860 -14.585 3.578 1.00 0.00 N ATOM 308 CA CYS A 33 -4.994 -14.896 2.141 1.00 0.00 C ATOM 309 C CYS A 33 -6.304 -15.635 1.860 1.00 0.00 C ATOM 310 O CYS A 33 -6.327 -16.671 1.204 1.00 0.00 O ATOM 311 CB CYS A 33 -3.758 -15.662 1.607 1.00 0.00 C ATOM 312 SG CYS A 33 -2.207 -14.692 1.453 1.00 0.00 S ATOM 0 H CYS A 33 -4.445 -13.672 3.764 1.00 0.00 H new ATOM 0 HA CYS A 33 -5.034 -13.954 1.594 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -3.568 -16.509 2.267 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -4.005 -16.071 0.627 1.00 0.00 H new ATOM 314 N SER A 34 -7.338 -15.202 2.584 1.00 0.00 N ATOM 315 CA SER A 34 -8.618 -15.917 2.585 1.00 0.00 C ATOM 316 C SER A 34 -9.499 -15.362 1.480 1.00 0.00 C ATOM 317 O SER A 34 -10.716 -15.362 1.643 1.00 0.00 O ATOM 318 CB SER A 34 -9.337 -15.774 3.934 1.00 0.00 C ATOM 319 OG SER A 34 -8.678 -16.553 4.927 1.00 0.00 O ATOM 0 H SER A 34 -7.317 -14.369 3.172 1.00 0.00 H new ATOM 0 HA SER A 34 -8.422 -16.976 2.417 1.00 0.00 H new ATOM 0 HB2 SER A 34 -9.355 -14.727 4.236 1.00 0.00 H new ATOM 0 HB3 SER A 34 -10.374 -16.096 3.838 1.00 0.00 H new ATOM 0 HG SER A 34 -7.718 -16.586 4.733 1.00 0.00 H new ATOM 322 N SER A 35 -8.847 -14.911 0.400 1.00 0.00 N ATOM 323 CA SER A 35 -9.463 -14.265 -0.781 1.00 0.00 C ATOM 324 C SER A 35 -9.435 -12.757 -0.585 1.00 0.00 C ATOM 325 O SER A 35 -8.692 -12.307 0.286 1.00 0.00 O ATOM 326 CB SER A 35 -10.897 -14.728 -1.070 1.00 0.00 C ATOM 327 OG SER A 35 -10.840 -16.130 -1.296 1.00 0.00 O ATOM 0 H SER A 35 -7.833 -14.987 0.316 1.00 0.00 H new ATOM 0 HA SER A 35 -8.875 -14.563 -1.649 1.00 0.00 H new ATOM 0 HB2 SER A 35 -11.554 -14.498 -0.231 1.00 0.00 H new ATOM 0 HB3 SER A 35 -11.301 -14.212 -1.941 1.00 0.00 H new ATOM 0 HG SER A 35 -11.741 -16.468 -1.484 1.00 0.00 H new ATOM 330 N ARG A 36 -10.194 -12.038 -1.425 1.00 0.00 N ATOM 331 CA ARG A 36 -10.326 -10.567 -1.411 1.00 0.00 C ATOM 332 C ARG A 36 -8.936 -9.896 -1.567 1.00 0.00 C ATOM 333 O ARG A 36 -8.096 -10.345 -2.346 1.00 0.00 O ATOM 334 CB ARG A 36 -11.126 -10.124 -0.155 1.00 0.00 C ATOM 335 CG ARG A 36 -10.340 -10.311 1.154 1.00 0.00 C ATOM 336 CD ARG A 36 -10.699 -9.406 2.294 1.00 0.00 C ATOM 337 NE ARG A 36 -9.672 -9.519 3.344 1.00 0.00 N ATOM 338 CZ ARG A 36 -9.937 -9.151 4.593 1.00 0.00 C ATOM 339 NH1 ARG A 36 -11.132 -8.687 4.915 1.00 0.00 N ATOM 340 NH2 ARG A 36 -9.038 -9.253 5.545 1.00 0.00 N ATOM 0 H ARG A 36 -10.752 -12.475 -2.158 1.00 0.00 H new ATOM 0 HA ARG A 36 -10.904 -10.225 -2.269 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -11.404 -9.075 -0.259 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -12.053 -10.695 -0.101 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -10.471 -11.341 1.484 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -9.280 -10.178 0.936 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -10.770 -8.375 1.947 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -11.676 -9.676 2.694 1.00 0.00 H new ATOM 0 HE ARG A 36 -8.748 -9.883 3.110 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -11.858 -8.610 4.203 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -11.328 -8.406 5.876 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -8.111 -9.622 5.334 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -9.267 -8.963 6.496 1.00 0.00 H new ATOM 347 N GLY A 37 -8.684 -8.919 -0.697 1.00 0.00 N ATOM 348 CA GLY A 37 -7.399 -8.240 -0.530 1.00 0.00 C ATOM 349 C GLY A 37 -7.703 -6.771 -0.693 1.00 0.00 C ATOM 350 O GLY A 37 -7.896 -6.449 -1.865 1.00 0.00 O ATOM 0 H GLY A 37 -9.399 -8.564 -0.063 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -6.969 -8.447 0.450 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -6.676 -8.577 -1.273 1.00 0.00 H new ATOM 352 N LYS A 38 -8.120 -6.214 0.467 1.00 0.00 N ATOM 353 CA LYS A 38 -8.438 -4.798 0.746 1.00 0.00 C ATOM 354 C LYS A 38 -7.681 -4.065 1.854 1.00 0.00 C ATOM 355 O LYS A 38 -7.896 -2.898 2.192 1.00 0.00 O ATOM 356 CB LYS A 38 -9.907 -4.427 0.564 1.00 0.00 C ATOM 357 CG LYS A 38 -10.012 -2.950 0.192 1.00 0.00 C ATOM 358 CD LYS A 38 -11.464 -2.595 0.296 1.00 0.00 C ATOM 359 CE LYS A 38 -11.551 -1.087 0.346 1.00 0.00 C ATOM 360 NZ LYS A 38 -12.973 -0.821 0.322 1.00 0.00 N ATOM 0 H LYS A 38 -8.253 -6.791 1.298 1.00 0.00 H new ATOM 0 HA LYS A 38 -7.930 -4.323 -0.093 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -10.356 -5.043 -0.215 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -10.460 -4.623 1.483 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -9.412 -2.336 0.864 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -9.640 -2.775 -0.818 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -12.018 -2.985 -0.558 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -11.905 -3.036 1.190 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -11.085 -0.689 1.248 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -11.044 -0.629 -0.503 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -13.167 -0.030 -0.324 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -13.479 -1.668 -0.006 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -13.296 -0.573 1.279 1.00 0.00 H new ATOM 365 N VAL A 39 -6.756 -4.818 2.409 1.00 0.00 N ATOM 366 CA VAL A 39 -6.030 -4.352 3.588 1.00 0.00 C ATOM 367 C VAL A 39 -4.534 -4.365 3.301 1.00 0.00 C ATOM 368 O VAL A 39 -3.788 -5.288 3.645 1.00 0.00 O ATOM 369 CB VAL A 39 -6.413 -5.207 4.793 1.00 0.00 C ATOM 370 CG1 VAL A 39 -5.589 -4.817 6.028 1.00 0.00 C ATOM 371 CG2 VAL A 39 -7.907 -5.149 5.134 1.00 0.00 C ATOM 0 H VAL A 39 -6.486 -5.743 2.075 1.00 0.00 H new ATOM 0 HA VAL A 39 -6.301 -3.324 3.827 1.00 0.00 H new ATOM 0 HB VAL A 39 -6.188 -6.234 4.507 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -5.881 -5.441 6.872 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -4.529 -4.963 5.819 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -5.771 -3.770 6.271 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -8.107 -5.780 6.000 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -8.189 -4.121 5.361 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -8.488 -5.505 4.284 1.00 0.00 H new ATOM 373 N VAL A 40 -4.146 -3.253 2.710 1.00 0.00 N ATOM 374 CA VAL A 40 -2.733 -3.022 2.419 1.00 0.00 C ATOM 375 C VAL A 40 -2.225 -1.958 3.411 1.00 0.00 C ATOM 376 O VAL A 40 -2.876 -1.615 4.391 1.00 0.00 O ATOM 377 CB VAL A 40 -2.554 -2.677 0.928 1.00 0.00 C ATOM 378 CG1 VAL A 40 -1.118 -2.705 0.461 1.00 0.00 C ATOM 379 CG2 VAL A 40 -2.985 -3.791 0.018 1.00 0.00 C ATOM 0 H VAL A 40 -4.773 -2.501 2.423 1.00 0.00 H new ATOM 0 HA VAL A 40 -2.120 -3.911 2.566 1.00 0.00 H new ATOM 0 HB VAL A 40 -3.083 -1.726 0.877 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -1.075 -2.452 -0.598 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -0.536 -1.981 1.031 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -0.706 -3.702 0.613 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -2.836 -3.492 -1.019 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -2.392 -4.682 0.227 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -4.040 -4.010 0.185 1.00 0.00 H new ATOM 381 N GLU A 41 -0.993 -1.550 3.195 1.00 0.00 N ATOM 382 CA GLU A 41 -0.279 -0.532 3.970 1.00 0.00 C ATOM 383 C GLU A 41 0.295 0.577 3.137 1.00 0.00 C ATOM 384 O GLU A 41 -0.022 1.697 3.500 1.00 0.00 O ATOM 385 CB GLU A 41 0.911 -1.092 4.697 1.00 0.00 C ATOM 386 CG GLU A 41 0.442 -1.911 5.866 1.00 0.00 C ATOM 387 CD GLU A 41 -0.295 -1.182 6.949 1.00 0.00 C ATOM 388 OE1 GLU A 41 -1.526 -1.017 6.817 1.00 0.00 O ATOM 389 OE2 GLU A 41 0.446 -0.898 7.906 1.00 0.00 O ATOM 0 H GLU A 41 -0.425 -1.932 2.439 1.00 0.00 H new ATOM 0 HA GLU A 41 -1.051 -0.163 4.645 1.00 0.00 H new ATOM 0 HB2 GLU A 41 1.506 -1.708 4.023 1.00 0.00 H new ATOM 0 HB3 GLU A 41 1.555 -0.283 5.041 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -0.205 -2.703 5.488 1.00 0.00 H new ATOM 0 HG3 GLU A 41 1.311 -2.395 6.312 1.00 0.00 H new ATOM 391 N LEU A 42 1.017 0.221 2.060 1.00 0.00 N ATOM 392 CA LEU A 42 1.440 1.173 1.017 1.00 0.00 C ATOM 393 C LEU A 42 1.043 2.627 1.244 1.00 0.00 C ATOM 394 O LEU A 42 0.048 3.128 0.827 1.00 0.00 O ATOM 395 CB LEU A 42 0.918 0.673 -0.315 1.00 0.00 C ATOM 396 CG LEU A 42 -0.543 0.458 -0.626 1.00 0.00 C ATOM 397 CD1 LEU A 42 -1.383 0.351 0.598 1.00 0.00 C ATOM 398 CD2 LEU A 42 -1.024 1.745 -1.140 1.00 0.00 C ATOM 0 H LEU A 42 1.324 -0.736 1.888 1.00 0.00 H new ATOM 0 HA LEU A 42 2.529 1.200 1.044 1.00 0.00 H new ATOM 0 HB2 LEU A 42 1.289 1.369 -1.067 1.00 0.00 H new ATOM 0 HB3 LEU A 42 1.410 -0.283 -0.495 1.00 0.00 H new ATOM 0 HG LEU A 42 -0.614 -0.427 -1.259 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -2.424 0.197 0.313 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -1.043 -0.492 1.200 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -1.298 1.269 1.179 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -2.082 1.665 -1.388 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -0.887 2.514 -0.380 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -0.461 2.013 -2.034 1.00 0.00 H new ATOM 400 N GLY A 43 1.755 3.205 2.163 1.00 0.00 N ATOM 401 CA GLY A 43 1.393 4.390 2.934 1.00 0.00 C ATOM 402 C GLY A 43 2.429 5.466 2.799 1.00 0.00 C ATOM 403 O GLY A 43 2.235 6.575 3.277 1.00 0.00 O ATOM 0 H GLY A 43 2.674 2.847 2.424 1.00 0.00 H new ATOM 0 HA2 GLY A 43 0.428 4.767 2.594 1.00 0.00 H new ATOM 0 HA3 GLY A 43 1.279 4.122 3.984 1.00 0.00 H new ATOM 405 N CYS A 44 3.588 4.901 2.507 1.00 0.00 N ATOM 406 CA CYS A 44 4.923 5.413 2.736 1.00 0.00 C ATOM 407 C CYS A 44 4.996 5.939 4.146 1.00 0.00 C ATOM 408 O CYS A 44 4.060 5.903 4.939 1.00 0.00 O ATOM 409 CB CYS A 44 5.224 6.357 1.615 1.00 0.00 C ATOM 410 SG CYS A 44 6.352 7.774 1.610 1.00 0.00 S ATOM 0 H CYS A 44 3.617 3.984 2.061 1.00 0.00 H new ATOM 0 HA CYS A 44 5.720 4.670 2.702 1.00 0.00 H new ATOM 0 HB2 CYS A 44 5.563 5.723 0.796 1.00 0.00 H new ATOM 0 HB3 CYS A 44 4.257 6.765 1.322 1.00 0.00 H new ATOM 412 N ALA A 45 6.227 6.196 4.486 1.00 0.00 N ATOM 413 CA ALA A 45 6.521 6.553 5.873 1.00 0.00 C ATOM 414 C ALA A 45 7.911 7.164 5.963 1.00 0.00 C ATOM 415 O ALA A 45 8.616 6.844 6.913 1.00 0.00 O ATOM 416 CB ALA A 45 6.387 5.294 6.756 1.00 0.00 C ATOM 0 H ALA A 45 7.030 6.171 3.857 1.00 0.00 H new ATOM 0 HA ALA A 45 5.812 7.299 6.233 1.00 0.00 H new ATOM 0 HB1 ALA A 45 6.605 5.552 7.792 1.00 0.00 H new ATOM 0 HB2 ALA A 45 5.371 4.906 6.684 1.00 0.00 H new ATOM 0 HB3 ALA A 45 7.091 4.534 6.416 1.00 0.00 H new ATOM 418 N ALA A 46 8.305 7.922 4.925 1.00 0.00 N ATOM 419 CA ALA A 46 9.594 8.648 4.803 1.00 0.00 C ATOM 420 C ALA A 46 10.151 8.452 3.388 1.00 0.00 C ATOM 421 O ALA A 46 9.752 9.152 2.463 1.00 0.00 O ATOM 422 CB ALA A 46 10.697 8.317 5.840 1.00 0.00 C ATOM 0 H ALA A 46 7.710 8.055 4.107 1.00 0.00 H new ATOM 0 HA ALA A 46 9.336 9.685 5.017 1.00 0.00 H new ATOM 0 HB1 ALA A 46 11.583 8.918 5.634 1.00 0.00 H new ATOM 0 HB2 ALA A 46 10.333 8.540 6.843 1.00 0.00 H new ATOM 0 HB3 ALA A 46 10.953 7.259 5.774 1.00 0.00 H new ATOM 424 N THR A 47 11.012 7.452 3.230 1.00 0.00 N ATOM 425 CA THR A 47 11.665 7.143 1.945 1.00 0.00 C ATOM 426 C THR A 47 11.611 5.638 1.691 1.00 0.00 C ATOM 427 O THR A 47 12.640 5.029 1.445 1.00 0.00 O ATOM 428 CB THR A 47 13.113 7.689 1.940 1.00 0.00 C ATOM 429 OG1 THR A 47 13.042 9.111 2.013 1.00 0.00 O ATOM 430 CG2 THR A 47 13.967 7.352 0.708 1.00 0.00 C ATOM 0 H THR A 47 11.283 6.825 3.988 1.00 0.00 H new ATOM 0 HA THR A 47 11.134 7.634 1.130 1.00 0.00 H new ATOM 0 HB THR A 47 13.600 7.207 2.787 1.00 0.00 H new ATOM 0 HG1 THR A 47 13.948 9.484 2.013 1.00 0.00 H new ATOM 0 HG21 THR A 47 14.959 7.789 0.822 1.00 0.00 H new ATOM 0 HG22 THR A 47 14.056 6.270 0.612 1.00 0.00 H new ATOM 0 HG23 THR A 47 13.493 7.758 -0.186 1.00 0.00 H new ATOM 433 N CYS A 48 10.461 5.006 1.917 1.00 0.00 N ATOM 434 CA CYS A 48 10.323 3.549 1.660 1.00 0.00 C ATOM 435 C CYS A 48 11.544 2.813 2.248 1.00 0.00 C ATOM 436 O CYS A 48 12.519 2.534 1.546 1.00 0.00 O ATOM 437 CB CYS A 48 10.223 3.193 0.163 1.00 0.00 C ATOM 438 SG CYS A 48 9.586 1.483 -0.107 1.00 0.00 S ATOM 0 H CYS A 48 9.618 5.458 2.271 1.00 0.00 H new ATOM 0 HA CYS A 48 9.391 3.239 2.133 1.00 0.00 H new ATOM 0 HB2 CYS A 48 9.566 3.906 -0.335 1.00 0.00 H new ATOM 0 HB3 CYS A 48 11.206 3.289 -0.298 1.00 0.00 H new ATOM 440 N PRO A 49 11.532 2.606 3.564 1.00 0.00 N ATOM 441 CA PRO A 49 12.662 1.959 4.246 1.00 0.00 C ATOM 442 C PRO A 49 12.824 0.492 3.825 1.00 0.00 C ATOM 443 O PRO A 49 13.583 -0.236 4.460 1.00 0.00 O ATOM 444 CB PRO A 49 12.330 2.122 5.729 1.00 0.00 C ATOM 445 CG PRO A 49 10.802 2.133 5.775 1.00 0.00 C ATOM 446 CD PRO A 49 10.387 2.812 4.472 1.00 0.00 C ATOM 0 HA PRO A 49 13.623 2.406 3.993 1.00 0.00 H new ATOM 0 HB2 PRO A 49 12.740 1.303 6.321 1.00 0.00 H new ATOM 0 HB3 PRO A 49 12.747 3.046 6.131 1.00 0.00 H new ATOM 0 HG2 PRO A 49 10.399 1.122 5.842 1.00 0.00 H new ATOM 0 HG3 PRO A 49 10.435 2.681 6.643 1.00 0.00 H new ATOM 0 HD2 PRO A 49 9.476 2.371 4.068 1.00 0.00 H new ATOM 0 HD3 PRO A 49 10.187 3.873 4.624 1.00 0.00 H new ATOM 447 N SER A 50 11.977 0.050 2.886 1.00 0.00 N ATOM 448 CA SER A 50 11.939 -1.315 2.330 1.00 0.00 C ATOM 449 C SER A 50 11.146 -2.223 3.249 1.00 0.00 C ATOM 450 O SER A 50 10.199 -2.845 2.778 1.00 0.00 O ATOM 451 CB SER A 50 13.309 -1.971 2.128 1.00 0.00 C ATOM 452 OG SER A 50 14.048 -1.215 1.175 1.00 0.00 O ATOM 0 H SER A 50 11.269 0.657 2.474 1.00 0.00 H new ATOM 0 HA SER A 50 11.481 -1.198 1.348 1.00 0.00 H new ATOM 0 HB2 SER A 50 13.849 -2.015 3.074 1.00 0.00 H new ATOM 0 HB3 SER A 50 13.188 -2.998 1.782 1.00 0.00 H new ATOM 0 HG SER A 50 14.927 -1.627 1.041 1.00 0.00 H new ATOM 455 N LYS A 51 11.411 -2.095 4.556 1.00 0.00 N ATOM 456 CA LYS A 51 10.779 -2.893 5.618 1.00 0.00 C ATOM 457 C LYS A 51 11.267 -4.341 5.515 1.00 0.00 C ATOM 458 O LYS A 51 12.468 -4.595 5.473 1.00 0.00 O ATOM 459 CB LYS A 51 9.257 -2.813 5.510 1.00 0.00 C ATOM 460 CG LYS A 51 8.775 -1.383 5.499 1.00 0.00 C ATOM 461 CD LYS A 51 7.304 -1.546 5.237 1.00 0.00 C ATOM 462 CE LYS A 51 6.551 -1.816 6.544 1.00 0.00 C ATOM 463 NZ LYS A 51 5.101 -1.723 6.280 1.00 0.00 N ATOM 0 H LYS A 51 12.086 -1.419 4.914 1.00 0.00 H new ATOM 0 HA LYS A 51 11.060 -2.495 6.593 1.00 0.00 H new ATOM 0 HB2 LYS A 51 8.929 -3.315 4.600 1.00 0.00 H new ATOM 0 HB3 LYS A 51 8.804 -3.344 6.347 1.00 0.00 H new ATOM 0 HG2 LYS A 51 8.966 -0.881 6.448 1.00 0.00 H new ATOM 0 HG3 LYS A 51 9.264 -0.794 4.723 1.00 0.00 H new ATOM 0 HD2 LYS A 51 6.911 -0.646 4.764 1.00 0.00 H new ATOM 0 HD3 LYS A 51 7.142 -2.369 4.541 1.00 0.00 H new ATOM 0 HE2 LYS A 51 6.803 -2.804 6.929 1.00 0.00 H new ATOM 0 HE3 LYS A 51 6.844 -1.093 7.306 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 4.579 -2.219 7.030 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 4.815 -0.723 6.262 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 4.887 -2.161 5.361 1.00 0.00 H new ATOM 468 N LYS A 52 10.324 -5.263 5.597 1.00 0.00 N ATOM 469 CA LYS A 52 10.585 -6.690 5.563 1.00 0.00 C ATOM 470 C LYS A 52 9.836 -7.361 4.408 1.00 0.00 C ATOM 471 O LYS A 52 9.063 -6.696 3.719 1.00 0.00 O ATOM 472 CB LYS A 52 10.142 -7.187 6.936 1.00 0.00 C ATOM 473 CG LYS A 52 11.211 -6.835 7.958 1.00 0.00 C ATOM 474 CD LYS A 52 10.874 -7.545 9.254 1.00 0.00 C ATOM 475 CE LYS A 52 11.786 -7.017 10.350 1.00 0.00 C ATOM 476 NZ LYS A 52 11.506 -7.732 11.596 1.00 0.00 N ATOM 0 H LYS A 52 9.334 -5.035 5.691 1.00 0.00 H new ATOM 0 HA LYS A 52 11.632 -6.930 5.378 1.00 0.00 H new ATOM 0 HB2 LYS A 52 9.192 -6.731 7.213 1.00 0.00 H new ATOM 0 HB3 LYS A 52 9.983 -8.265 6.913 1.00 0.00 H new ATOM 0 HG2 LYS A 52 12.194 -7.141 7.601 1.00 0.00 H new ATOM 0 HG3 LYS A 52 11.249 -5.757 8.113 1.00 0.00 H new ATOM 0 HD2 LYS A 52 9.830 -7.376 9.517 1.00 0.00 H new ATOM 0 HD3 LYS A 52 11.004 -8.621 9.140 1.00 0.00 H new ATOM 0 HE2 LYS A 52 12.830 -7.151 10.067 1.00 0.00 H new ATOM 0 HE3 LYS A 52 11.628 -5.947 10.487 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 12.128 -7.374 12.349 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 10.513 -7.582 11.867 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 11.678 -8.749 11.459 1.00 0.00 H new ATOM 481 N PRO A 53 10.085 -8.661 4.215 1.00 0.00 N ATOM 482 CA PRO A 53 9.414 -9.451 3.180 1.00 0.00 C ATOM 483 C PRO A 53 7.950 -9.637 3.571 1.00 0.00 C ATOM 484 O PRO A 53 7.108 -8.887 3.083 1.00 0.00 O ATOM 485 CB PRO A 53 10.237 -10.743 3.107 1.00 0.00 C ATOM 486 CG PRO A 53 10.776 -10.936 4.523 1.00 0.00 C ATOM 487 CD PRO A 53 11.055 -9.504 4.952 1.00 0.00 C ATOM 0 HA PRO A 53 9.375 -8.992 2.192 1.00 0.00 H new ATOM 0 HB2 PRO A 53 9.622 -11.588 2.798 1.00 0.00 H new ATOM 0 HB3 PRO A 53 11.047 -10.657 2.383 1.00 0.00 H new ATOM 0 HG2 PRO A 53 10.049 -11.423 5.174 1.00 0.00 H new ATOM 0 HG3 PRO A 53 11.677 -11.549 4.537 1.00 0.00 H new ATOM 0 HD2 PRO A 53 10.933 -9.388 6.029 1.00 0.00 H new ATOM 0 HD3 PRO A 53 12.080 -9.218 4.715 1.00 0.00 H new ATOM 488 N TYR A 54 7.714 -10.508 4.563 1.00 0.00 N ATOM 489 CA TYR A 54 6.384 -10.921 5.052 1.00 0.00 C ATOM 490 C TYR A 54 5.396 -10.980 3.877 1.00 0.00 C ATOM 491 O TYR A 54 5.845 -11.075 2.745 1.00 0.00 O ATOM 492 CB TYR A 54 5.973 -9.941 6.161 1.00 0.00 C ATOM 493 CG TYR A 54 4.591 -10.256 6.741 1.00 0.00 C ATOM 494 CD1 TYR A 54 4.411 -11.415 7.482 1.00 0.00 C ATOM 495 CD2 TYR A 54 3.499 -9.474 6.377 1.00 0.00 C ATOM 496 CE1 TYR A 54 3.137 -11.794 7.870 1.00 0.00 C ATOM 497 CE2 TYR A 54 2.220 -9.861 6.757 1.00 0.00 C ATOM 498 CZ TYR A 54 2.055 -11.017 7.496 1.00 0.00 C ATOM 499 OH TYR A 54 0.829 -11.337 7.943 1.00 0.00 O ATOM 0 H TYR A 54 8.473 -10.964 5.069 1.00 0.00 H new ATOM 0 HA TYR A 54 6.395 -11.924 5.479 1.00 0.00 H new ATOM 0 HB2 TYR A 54 6.714 -9.970 6.960 1.00 0.00 H new ATOM 0 HB3 TYR A 54 5.974 -8.926 5.763 1.00 0.00 H new ATOM 0 HD1 TYR A 54 5.263 -12.020 7.756 1.00 0.00 H new ATOM 0 HD2 TYR A 54 3.645 -8.571 5.802 1.00 0.00 H new ATOM 0 HE1 TYR A 54 2.989 -12.687 8.459 1.00 0.00 H new ATOM 0 HE2 TYR A 54 1.364 -9.265 6.478 1.00 0.00 H new ATOM 0 HH TYR A 54 0.597 -10.762 8.702 1.00 0.00 H new ATOM 506 N GLU A 55 4.101 -10.944 4.160 1.00 0.00 N ATOM 507 CA GLU A 55 3.008 -10.872 3.187 1.00 0.00 C ATOM 508 C GLU A 55 3.466 -10.274 1.841 1.00 0.00 C ATOM 509 O GLU A 55 4.091 -10.940 1.027 1.00 0.00 O ATOM 510 CB GLU A 55 1.872 -10.038 3.792 1.00 0.00 C ATOM 511 CG GLU A 55 0.527 -10.553 3.344 1.00 0.00 C ATOM 512 CD GLU A 55 0.489 -10.441 1.834 1.00 0.00 C ATOM 513 OE1 GLU A 55 0.149 -9.315 1.420 1.00 0.00 O ATOM 514 OE2 GLU A 55 0.866 -11.416 1.151 1.00 0.00 O ATOM 0 H GLU A 55 3.762 -10.965 5.122 1.00 0.00 H new ATOM 0 HA GLU A 55 2.662 -11.883 2.974 1.00 0.00 H new ATOM 0 HB2 GLU A 55 1.933 -10.068 4.880 1.00 0.00 H new ATOM 0 HB3 GLU A 55 1.984 -8.995 3.495 1.00 0.00 H new ATOM 0 HG2 GLU A 55 0.387 -11.587 3.657 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -0.278 -9.972 3.794 1.00 0.00 H new ATOM 516 N GLU A 56 3.078 -9.039 1.584 1.00 0.00 N ATOM 517 CA GLU A 56 3.428 -8.362 0.339 1.00 0.00 C ATOM 518 C GLU A 56 4.118 -7.071 0.708 1.00 0.00 C ATOM 519 O GLU A 56 3.791 -6.482 1.736 1.00 0.00 O ATOM 520 CB GLU A 56 2.178 -8.073 -0.486 1.00 0.00 C ATOM 521 CG GLU A 56 1.606 -9.364 -1.076 1.00 0.00 C ATOM 522 CD GLU A 56 2.527 -9.972 -2.121 1.00 0.00 C ATOM 523 OE1 GLU A 56 3.434 -10.738 -1.736 1.00 0.00 O ATOM 524 OE2 GLU A 56 2.311 -9.592 -3.288 1.00 0.00 O ATOM 0 H GLU A 56 2.516 -8.477 2.223 1.00 0.00 H new ATOM 0 HA GLU A 56 4.081 -8.992 -0.265 1.00 0.00 H new ATOM 0 HB2 GLU A 56 1.427 -7.590 0.140 1.00 0.00 H new ATOM 0 HB3 GLU A 56 2.420 -7.377 -1.289 1.00 0.00 H new ATOM 0 HG2 GLU A 56 1.440 -10.085 -0.276 1.00 0.00 H new ATOM 0 HG3 GLU A 56 0.635 -9.157 -1.526 1.00 0.00 H new ATOM 526 N VAL A 57 4.997 -6.655 -0.181 1.00 0.00 N ATOM 527 CA VAL A 57 5.823 -5.441 -0.010 1.00 0.00 C ATOM 528 C VAL A 57 6.290 -5.043 -1.412 1.00 0.00 C ATOM 529 O VAL A 57 5.987 -5.707 -2.404 1.00 0.00 O ATOM 530 CB VAL A 57 7.044 -5.723 0.908 1.00 0.00 C ATOM 531 CG1 VAL A 57 8.065 -4.594 1.084 1.00 0.00 C ATOM 532 CG2 VAL A 57 6.619 -5.964 2.339 1.00 0.00 C ATOM 0 H VAL A 57 5.172 -7.145 -1.058 1.00 0.00 H new ATOM 0 HA VAL A 57 5.251 -4.643 0.464 1.00 0.00 H new ATOM 0 HB VAL A 57 7.490 -6.568 0.384 1.00 0.00 H new ATOM 0 HG11 VAL A 57 8.863 -4.926 1.748 1.00 0.00 H new ATOM 0 HG12 VAL A 57 8.486 -4.330 0.114 1.00 0.00 H new ATOM 0 HG13 VAL A 57 7.573 -3.722 1.515 1.00 0.00 H new ATOM 0 HG21 VAL A 57 7.499 -6.158 2.952 1.00 0.00 H new ATOM 0 HG22 VAL A 57 6.100 -5.084 2.718 1.00 0.00 H new ATOM 0 HG23 VAL A 57 5.951 -6.825 2.380 1.00 0.00 H new ATOM 534 N THR A 58 6.966 -3.906 -1.458 1.00 0.00 N ATOM 535 CA THR A 58 7.625 -3.357 -2.655 1.00 0.00 C ATOM 536 C THR A 58 8.228 -1.992 -2.283 1.00 0.00 C ATOM 537 O THR A 58 8.295 -1.660 -1.101 1.00 0.00 O ATOM 538 CB THR A 58 6.575 -3.272 -3.771 1.00 0.00 C ATOM 539 OG1 THR A 58 7.058 -2.719 -4.986 1.00 0.00 O ATOM 540 CG2 THR A 58 5.492 -2.357 -3.306 1.00 0.00 C ATOM 0 H THR A 58 7.081 -3.311 -0.638 1.00 0.00 H new ATOM 0 HA THR A 58 8.440 -3.985 -3.016 1.00 0.00 H new ATOM 0 HB THR A 58 6.253 -4.294 -3.968 1.00 0.00 H new ATOM 0 HG1 THR A 58 6.335 -2.699 -5.647 1.00 0.00 H new ATOM 0 HG21 THR A 58 4.728 -2.275 -4.079 1.00 0.00 H new ATOM 0 HG22 THR A 58 5.045 -2.755 -2.395 1.00 0.00 H new ATOM 0 HG23 THR A 58 5.911 -1.371 -3.104 1.00 0.00 H new ATOM 543 N CYS A 59 8.339 -1.136 -3.292 1.00 0.00 N ATOM 544 CA CYS A 59 8.927 0.206 -3.230 1.00 0.00 C ATOM 545 C CYS A 59 8.937 0.792 -4.642 1.00 0.00 C ATOM 546 O CYS A 59 9.631 0.319 -5.538 1.00 0.00 O ATOM 547 CB CYS A 59 10.374 0.147 -2.718 1.00 0.00 C ATOM 548 SG CYS A 59 10.646 -0.065 -0.917 1.00 0.00 S ATOM 0 H CYS A 59 8.005 -1.367 -4.227 1.00 0.00 H new ATOM 0 HA CYS A 59 8.337 0.820 -2.549 1.00 0.00 H new ATOM 0 HB2 CYS A 59 10.875 -0.675 -3.230 1.00 0.00 H new ATOM 0 HB3 CYS A 59 10.874 1.066 -3.025 1.00 0.00 H new ATOM 550 N CYS A 60 8.070 1.769 -4.828 1.00 0.00 N ATOM 551 CA CYS A 60 8.012 2.484 -6.106 1.00 0.00 C ATOM 552 C CYS A 60 8.398 3.926 -5.877 1.00 0.00 C ATOM 553 O CYS A 60 8.918 4.217 -4.796 1.00 0.00 O ATOM 554 CB CYS A 60 6.609 2.341 -6.638 1.00 0.00 C ATOM 555 SG CYS A 60 6.528 0.619 -7.276 1.00 0.00 S ATOM 0 H CYS A 60 7.402 2.089 -4.127 1.00 0.00 H new ATOM 0 HA CYS A 60 8.708 2.077 -6.840 1.00 0.00 H new ATOM 0 HB2 CYS A 60 5.869 2.509 -5.855 1.00 0.00 H new ATOM 0 HB3 CYS A 60 6.408 3.066 -7.427 1.00 0.00 H new ATOM 557 N SER A 61 7.947 4.779 -6.807 1.00 0.00 N ATOM 558 CA SER A 61 8.308 6.203 -6.861 1.00 0.00 C ATOM 559 C SER A 61 8.343 6.833 -8.245 1.00 0.00 C ATOM 560 O SER A 61 9.211 7.622 -8.624 1.00 0.00 O ATOM 561 CB SER A 61 9.717 6.350 -6.384 1.00 0.00 C ATOM 562 OG SER A 61 10.798 5.744 -7.053 1.00 0.00 O ATOM 0 H SER A 61 7.312 4.496 -7.553 1.00 0.00 H new ATOM 0 HA SER A 61 7.536 6.692 -6.267 1.00 0.00 H new ATOM 0 HB2 SER A 61 9.928 7.419 -6.350 1.00 0.00 H new ATOM 0 HB3 SER A 61 9.740 5.988 -5.356 1.00 0.00 H new ATOM 0 HG SER A 61 11.633 5.960 -6.588 1.00 0.00 H new ATOM 565 N THR A 62 7.348 6.463 -9.014 1.00 0.00 N ATOM 566 CA THR A 62 7.287 6.937 -10.406 1.00 0.00 C ATOM 567 C THR A 62 5.913 7.528 -10.660 1.00 0.00 C ATOM 568 O THR A 62 5.398 7.308 -11.744 1.00 0.00 O ATOM 569 CB THR A 62 7.637 5.796 -11.395 1.00 0.00 C ATOM 570 OG1 THR A 62 8.998 5.453 -11.179 1.00 0.00 O ATOM 571 CG2 THR A 62 7.529 6.081 -12.904 1.00 0.00 C ATOM 0 H THR A 62 6.582 5.854 -8.726 1.00 0.00 H new ATOM 0 HA THR A 62 8.031 7.716 -10.570 1.00 0.00 H new ATOM 0 HB THR A 62 6.891 5.031 -11.181 1.00 0.00 H new ATOM 0 HG1 THR A 62 9.254 4.730 -11.789 1.00 0.00 H new ATOM 0 HG21 THR A 62 7.806 5.188 -13.464 1.00 0.00 H new ATOM 0 HG22 THR A 62 6.504 6.360 -13.149 1.00 0.00 H new ATOM 0 HG23 THR A 62 8.201 6.898 -13.169 1.00 0.00 H new ATOM 574 N ASP A 63 5.303 8.153 -9.647 1.00 0.00 N ATOM 575 CA ASP A 63 3.936 8.717 -9.716 1.00 0.00 C ATOM 576 C ASP A 63 3.005 7.859 -8.876 1.00 0.00 C ATOM 577 O ASP A 63 1.924 8.314 -8.587 1.00 0.00 O ATOM 578 CB ASP A 63 3.318 8.734 -11.122 1.00 0.00 C ATOM 579 CG ASP A 63 2.126 9.597 -11.366 1.00 0.00 C ATOM 580 OD1 ASP A 63 1.033 9.073 -11.073 1.00 0.00 O ATOM 581 OD2 ASP A 63 2.383 10.707 -11.870 1.00 0.00 O ATOM 0 H ASP A 63 5.746 8.287 -8.738 1.00 0.00 H new ATOM 0 HA ASP A 63 4.037 9.745 -9.368 1.00 0.00 H new ATOM 0 HB2 ASP A 63 4.096 9.038 -11.822 1.00 0.00 H new ATOM 0 HB3 ASP A 63 3.043 7.710 -11.376 1.00 0.00 H new ATOM 583 N LYS A 64 3.284 6.577 -8.716 1.00 0.00 N ATOM 584 CA LYS A 64 2.417 5.665 -7.955 1.00 0.00 C ATOM 585 C LYS A 64 2.919 4.256 -8.168 1.00 0.00 C ATOM 586 O LYS A 64 3.836 4.086 -8.971 1.00 0.00 O ATOM 587 CB LYS A 64 1.017 5.696 -8.527 1.00 0.00 C ATOM 588 CG LYS A 64 0.006 5.070 -7.619 1.00 0.00 C ATOM 589 CD LYS A 64 -1.197 5.255 -8.504 1.00 0.00 C ATOM 590 CE LYS A 64 -2.150 4.456 -7.749 1.00 0.00 C ATOM 591 NZ LYS A 64 -3.592 4.304 -8.040 1.00 0.00 N ATOM 0 H LYS A 64 4.114 6.130 -9.105 1.00 0.00 H new ATOM 0 HA LYS A 64 2.421 5.960 -6.906 1.00 0.00 H new ATOM 0 HB2 LYS A 64 0.732 6.730 -8.723 1.00 0.00 H new ATOM 0 HB3 LYS A 64 1.009 5.176 -9.485 1.00 0.00 H new ATOM 0 HG2 LYS A 64 0.218 4.024 -7.400 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -0.085 5.584 -6.662 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -1.499 6.299 -8.594 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -1.039 4.880 -9.515 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -1.744 3.444 -7.744 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -2.096 4.826 -6.725 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -4.054 3.802 -7.255 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -4.024 5.243 -8.153 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -3.714 3.760 -8.918 1.00 0.00 H new ATOM 596 N CYS A 65 2.403 3.369 -7.311 1.00 0.00 N ATOM 597 CA CYS A 65 2.617 1.917 -7.388 1.00 0.00 C ATOM 598 C CYS A 65 2.278 1.246 -6.069 1.00 0.00 C ATOM 599 O CYS A 65 3.105 0.689 -5.347 1.00 0.00 O ATOM 600 CB CYS A 65 4.069 1.702 -7.648 1.00 0.00 C ATOM 601 SG CYS A 65 4.671 0.021 -7.833 1.00 0.00 S ATOM 0 H CYS A 65 1.812 3.645 -6.527 1.00 0.00 H new ATOM 0 HA CYS A 65 1.984 1.497 -8.169 1.00 0.00 H new ATOM 0 HB2 CYS A 65 4.327 2.247 -8.556 1.00 0.00 H new ATOM 0 HB3 CYS A 65 4.623 2.164 -6.831 1.00 0.00 H new ATOM 603 N ASN A 66 1.073 1.580 -5.679 1.00 0.00 N ATOM 604 CA ASN A 66 0.501 1.029 -4.467 1.00 0.00 C ATOM 605 C ASN A 66 -1.021 1.016 -4.560 1.00 0.00 C ATOM 606 O ASN A 66 -1.693 1.508 -3.678 1.00 0.00 O ATOM 607 CB ASN A 66 1.143 1.840 -3.351 1.00 0.00 C ATOM 608 CG ASN A 66 0.725 3.285 -3.393 1.00 0.00 C ATOM 609 OD1 ASN A 66 -0.093 3.894 -2.726 1.00 0.00 O ATOM 610 ND2 ASN A 66 1.291 3.854 -4.384 1.00 0.00 N ATOM 0 H ASN A 66 0.467 2.230 -6.180 1.00 0.00 H new ATOM 0 HA ASN A 66 0.712 -0.023 -4.276 1.00 0.00 H new ATOM 0 HB2 ASN A 66 0.869 1.411 -2.387 1.00 0.00 H new ATOM 0 HB3 ASN A 66 2.228 1.774 -3.432 1.00 0.00 H new ATOM 0 HD21 ASN A 66 1.059 4.819 -4.619 1.00 0.00 H new ATOM 0 HD22 ASN A 66 1.976 3.344 -4.942 1.00 0.00 H new ATOM 614 N PRO A 67 -1.560 0.519 -5.677 1.00 0.00 N ATOM 615 CA PRO A 67 -2.986 0.478 -5.919 1.00 0.00 C ATOM 616 C PRO A 67 -3.685 -0.475 -4.989 1.00 0.00 C ATOM 617 O PRO A 67 -3.225 -0.639 -3.857 1.00 0.00 O ATOM 618 CB PRO A 67 -3.192 0.378 -7.420 1.00 0.00 C ATOM 619 CG PRO A 67 -2.008 -0.493 -7.796 1.00 0.00 C ATOM 620 CD PRO A 67 -0.896 -0.094 -6.833 1.00 0.00 C ATOM 0 HA PRO A 67 -3.511 1.393 -5.643 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -4.146 -0.082 -7.679 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -3.164 1.352 -7.909 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -2.251 -1.551 -7.700 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -1.710 -0.327 -8.831 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -0.311 -0.963 -6.531 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -0.206 0.607 -7.303 1.00 0.00 H new ATOM 621 N HIS A 68 -4.867 -0.875 -5.439 1.00 0.00 N ATOM 622 CA HIS A 68 -5.619 -1.914 -4.757 1.00 0.00 C ATOM 623 C HIS A 68 -6.986 -2.082 -5.422 1.00 0.00 C ATOM 624 O HIS A 68 -7.708 -1.100 -5.594 1.00 0.00 O ATOM 625 CB HIS A 68 -5.717 -1.492 -3.304 1.00 0.00 C ATOM 626 CG HIS A 68 -6.282 -2.534 -2.447 1.00 0.00 C ATOM 627 ND1 HIS A 68 -7.563 -2.777 -2.405 1.00 0.00 N ATOM 628 CD2 HIS A 68 -5.545 -3.376 -1.753 1.00 0.00 C ATOM 629 CE1 HIS A 68 -7.556 -3.846 -1.731 1.00 0.00 C ATOM 630 NE2 HIS A 68 -6.382 -4.213 -1.220 1.00 0.00 N ATOM 0 H HIS A 68 -5.322 -0.496 -6.270 1.00 0.00 H new ATOM 0 HA HIS A 68 -5.133 -2.888 -4.817 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -4.724 -1.227 -2.940 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -6.333 -0.595 -3.232 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -4.470 -3.371 -1.649 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -8.452 -4.429 -1.578 1.00 0.00 H new ATOM 0 HE2 HIS A 68 -6.187 -4.971 -0.566 1.00 0.00 H new ATOM 633 N PRO A 69 -7.257 -3.317 -5.847 1.00 0.00 N ATOM 634 CA PRO A 69 -8.515 -3.667 -6.525 1.00 0.00 C ATOM 635 C PRO A 69 -9.656 -3.677 -5.507 1.00 0.00 C ATOM 636 O PRO A 69 -9.442 -3.228 -4.384 1.00 0.00 O ATOM 637 CB PRO A 69 -8.219 -5.048 -7.110 1.00 0.00 C ATOM 638 CG PRO A 69 -7.225 -5.678 -6.133 1.00 0.00 C ATOM 639 CD PRO A 69 -6.389 -4.497 -5.652 1.00 0.00 C ATOM 0 HA PRO A 69 -8.830 -2.967 -7.299 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -9.127 -5.646 -7.192 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -7.796 -4.971 -8.112 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -7.735 -6.170 -5.305 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -6.608 -6.432 -6.621 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -6.107 -4.612 -4.605 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -5.465 -4.407 -6.223 1.00 0.00 H new ATOM 640 N LYS A 70 -10.799 -4.241 -5.897 1.00 0.00 N ATOM 641 CA LYS A 70 -11.988 -4.404 -5.043 1.00 0.00 C ATOM 642 C LYS A 70 -12.379 -3.038 -4.473 1.00 0.00 C ATOM 643 O LYS A 70 -13.071 -2.266 -5.133 1.00 0.00 O ATOM 644 CB LYS A 70 -11.726 -5.443 -3.943 1.00 0.00 C ATOM 645 CG LYS A 70 -13.012 -5.711 -3.169 1.00 0.00 C ATOM 646 CD LYS A 70 -12.710 -6.568 -1.951 1.00 0.00 C ATOM 647 CE LYS A 70 -14.011 -6.867 -1.217 1.00 0.00 C ATOM 648 NZ LYS A 70 -13.715 -7.602 0.015 1.00 0.00 N ATOM 0 H LYS A 70 -10.933 -4.609 -6.839 1.00 0.00 H new ATOM 0 HA LYS A 70 -12.824 -4.782 -5.632 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -11.357 -6.369 -4.385 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -10.952 -5.082 -3.266 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -13.464 -4.769 -2.859 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -13.735 -6.216 -3.810 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -12.228 -7.497 -2.255 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -12.016 -6.050 -1.290 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -14.532 -5.938 -0.984 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -14.674 -7.453 -1.853 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -14.530 -7.544 0.658 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -13.524 -8.599 -0.213 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -12.881 -7.186 0.476 1.00 0.00 H new ATOM 653 N GLN A 71 -11.810 -2.708 -3.319 1.00 0.00 N ATOM 654 CA GLN A 71 -12.024 -1.394 -2.726 1.00 0.00 C ATOM 655 C GLN A 71 -13.505 -1.291 -2.358 1.00 0.00 C ATOM 656 O GLN A 71 -14.135 -2.296 -2.023 1.00 0.00 O ATOM 657 CB GLN A 71 -11.560 -0.235 -3.625 1.00 0.00 C ATOM 658 CG GLN A 71 -10.063 -0.281 -3.881 1.00 0.00 C ATOM 659 CD GLN A 71 -9.243 0.034 -2.635 1.00 0.00 C ATOM 660 OE1 GLN A 71 -9.694 0.318 -1.541 1.00 0.00 O ATOM 661 NE2 GLN A 71 -7.963 0.065 -2.828 1.00 0.00 N ATOM 0 H GLN A 71 -11.203 -3.326 -2.780 1.00 0.00 H new ATOM 0 HA GLN A 71 -11.406 -1.298 -1.833 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -12.092 -0.277 -4.575 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -11.819 0.714 -3.156 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -9.792 -1.271 -4.249 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -9.811 0.431 -4.667 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -7.579 -0.172 -3.743 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -7.338 0.326 -2.065 1.00 0.00 H new ATOM 665 N ARG A 72 -13.873 -0.064 -2.033 1.00 0.00 N ATOM 666 CA ARG A 72 -15.241 0.259 -1.625 1.00 0.00 C ATOM 667 C ARG A 72 -15.622 1.572 -2.289 1.00 0.00 C ATOM 668 O ARG A 72 -14.990 2.609 -2.070 1.00 0.00 O ATOM 669 CB ARG A 72 -15.514 0.390 -0.121 1.00 0.00 C ATOM 670 CG ARG A 72 -14.684 1.515 0.504 1.00 0.00 C ATOM 671 CD ARG A 72 -15.093 1.716 1.934 1.00 0.00 C ATOM 672 NE ARG A 72 -14.576 3.014 2.379 1.00 0.00 N ATOM 673 CZ ARG A 72 -14.619 3.405 3.645 1.00 0.00 C ATOM 674 NH1 ARG A 72 -15.139 2.621 4.582 1.00 0.00 N ATOM 675 NH2 ARG A 72 -14.155 4.597 3.976 1.00 0.00 N ATOM 0 H ARG A 72 -13.241 0.736 -2.042 1.00 0.00 H new ATOM 0 HA ARG A 72 -15.837 -0.599 -1.937 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -16.574 0.585 0.042 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -15.283 -0.553 0.375 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -13.623 1.269 0.451 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -14.826 2.439 -0.057 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -16.179 1.687 2.027 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -14.698 0.915 2.559 1.00 0.00 H new ATOM 0 HE ARG A 72 -14.167 3.641 1.687 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -15.512 1.705 4.332 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -15.166 2.935 5.552 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -13.767 5.210 3.259 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -14.185 4.904 4.948 1.00 0.00 H new ATOM 682 N PRO A 73 -16.737 1.522 -2.997 1.00 0.00 N ATOM 683 CA PRO A 73 -17.300 2.724 -3.619 1.00 0.00 C ATOM 684 C PRO A 73 -18.019 3.623 -2.591 1.00 0.00 C ATOM 685 O PRO A 73 -19.101 4.138 -2.854 1.00 0.00 O ATOM 686 CB PRO A 73 -18.200 2.136 -4.706 1.00 0.00 C ATOM 687 CG PRO A 73 -18.689 0.809 -4.124 1.00 0.00 C ATOM 688 CD PRO A 73 -17.499 0.299 -3.324 1.00 0.00 C ATOM 0 HA PRO A 73 -16.562 3.409 -4.037 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -19.034 2.801 -4.933 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -17.651 1.983 -5.635 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -19.565 0.949 -3.491 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -18.972 0.108 -4.910 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -17.819 -0.225 -2.423 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -16.899 -0.402 -3.904 1.00 0.00 H new ATOM 689 N GLY A 74 -17.449 3.696 -1.379 1.00 0.00 N ATOM 690 CA GLY A 74 -18.007 4.500 -0.274 1.00 0.00 C ATOM 691 C GLY A 74 -17.427 4.103 1.086 1.00 0.00 C ATOM 692 O GLY A 74 -16.529 4.845 1.534 1.00 0.00 O ATOM 693 OXT GLY A 74 -17.862 3.044 1.590 1.00 99.99 O ATOM 0 H GLY A 74 -16.591 3.202 -1.135 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -17.805 5.555 -0.458 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -19.090 4.381 -0.253 1.00 0.00 H new TER 695 GLY A 74