USER MOD reduce.3.24.130724 H: found=0, std=0, add=1050, rem=0, adj=39 USER MOD reduce.3.24.130724 removed 1045 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 93 THR OG1 : rot -72:sc= 0.458 USER MOD Set 1.2: A 95 MET CE :methyl -135:sc= -0.0578 (180deg=-0.494) USER MOD Set 2.1: A 62 GLN :FLIP amide:sc= -1.44! X(o=-1.5,f=-1.1!) USER MOD Set 2.2: A 64 HIS :FLIP no HD1:sc=-0.00339 X(o=-1.2,f=-1.1) USER MOD Set 2.3: A 77 SER OG : rot -39:sc= 0.372 USER MOD Set 3.1: A 27 SER OG : rot 180:sc= -3.85! USER MOD Set 3.2: A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 ILE N :NH3+ 155:sc= 0 (180deg=-0.0789) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 7 SER OG : rot 180:sc= 0.0372 USER MOD Single : A 16 ASN :FLIP amide:sc= 0.0495 F(o=-2!,f=0.049) USER MOD Single : A 20 THR OG1 : rot -110:sc= 0.0253 USER MOD Single : A 21 GLN : amide:sc= -0.0279 X(o=-0.028,f=-0.31) USER MOD Single : A 26 THR OG1 : rot -74:sc= 0.147 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 GLN : amide:sc= -0.218 X(o=-0.22,f=0) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 SER OG : rot 180:sc= 0.117 USER MOD Single : A 48 GLN : amide:sc= -0.0147 X(o=-0.015,f=-0.015) USER MOD Single : A 53 THR OG1 : rot 20:sc= 0.536 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 36:sc= 0.839 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 THR OG1 : rot 180:sc= 0.0125 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 154:sc= 0.907 USER MOD Single : A 72 ASN : amide:sc= -0.388 K(o=-0.39,f=-2.1) USER MOD Single : A 74 TYR OH : rot 15:sc= -0.578 USER MOD Single : A 75 MET CE :methyl 157:sc= -0.14 (180deg=-2.16!) USER MOD Single : A 78 TYR OH : rot 180:sc= -0.0288 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 LYS NZ :NH3+ -131:sc= 0.237 (180deg=-0.0594) USER MOD Single : A 86 SER OG : rot 180:sc= 0.00645 USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 99 THR OG1 : rot 180:sc= 0 USER MOD Single : A 103 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 108 TYR OH : rot -27:sc= 1.14 USER MOD Single : A 110 ASN : amide:sc= 0.63 K(o=0.63,f=0) USER MOD Single : A 113 THR OG1 : rot 180:sc= 0 USER MOD Single : A 114 HIS : no HD1:sc= -0.0927 K(o=-0.093,f=-3.1!) USER MOD Single : A 118 THR OG1 : rot -170:sc= -0.307 USER MOD Single : A 121 GLN : amide:sc= -0.211 X(o=-0.21,f=-0.013) USER MOD Single : A 122 MET CE :methyl -138:sc= -0.182 (180deg=-3.8!) USER MOD Single : A 126 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 127 GLN : amide:sc= 1.19 K(o=1.2,f=-0.059) USER MOD Single : A 128 MET CE :methyl 174:sc= -0.993 (180deg=-1.22) USER MOD Single : A 129 GLN :FLIP amide:sc= 0.922 F(o=-0.56,f=0.92) USER MOD Single : A 134 ASN : amide:sc= -0.0197 X(o=-0.02,f=-0.02) USER MOD Single : A 137 THR OG1 : rot 180:sc= 0 USER MOD Single : A 139 THR OG1 : rot 180:sc= 0 USER MOD Single : A 143 SER OG : rot 180:sc= 0 USER MOD Single : A 144 THR OG1 : rot -44:sc= 0.0205 USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A 1 18.567 -18.173 14.352 1.00 0.00 N ATOM 2 CA ILE A 1 19.566 -18.562 13.335 1.00 0.00 C ATOM 3 C ILE A 1 20.439 -17.355 12.962 1.00 0.00 C ATOM 4 O ILE A 1 20.274 -16.773 11.891 1.00 0.00 O ATOM 5 CB ILE A 1 18.915 -19.253 12.109 1.00 0.00 C ATOM 6 CG1 ILE A 1 17.671 -18.491 11.593 1.00 0.00 C ATOM 7 CG2 ILE A 1 18.556 -20.709 12.450 1.00 0.00 C ATOM 8 CD1 ILE A 1 17.286 -18.842 10.158 1.00 0.00 C ATOM 0 H1 ILE A 1 17.748 -18.811 14.296 1.00 0.00 H new ATOM 0 H2 ILE A 1 18.992 -18.238 15.299 1.00 0.00 H new ATOM 0 H3 ILE A 1 18.257 -17.196 14.178 1.00 0.00 H new ATOM 0 HA ILE A 1 20.225 -19.316 13.766 1.00 0.00 H new ATOM 0 HB ILE A 1 19.648 -19.243 11.303 1.00 0.00 H new ATOM 0 HG12 ILE A 1 16.827 -18.705 12.249 1.00 0.00 H new ATOM 0 HG13 ILE A 1 17.860 -17.419 11.657 1.00 0.00 H new ATOM 0 HG21 ILE A 1 18.100 -21.184 11.582 1.00 0.00 H new ATOM 0 HG22 ILE A 1 19.460 -21.251 12.727 1.00 0.00 H new ATOM 0 HG23 ILE A 1 17.854 -20.725 13.283 1.00 0.00 H new ATOM 0 HD11 ILE A 1 16.406 -18.269 9.867 1.00 0.00 H new ATOM 0 HD12 ILE A 1 18.113 -18.601 9.490 1.00 0.00 H new ATOM 0 HD13 ILE A 1 17.064 -19.907 10.091 1.00 0.00 H new ATOM 20 N PRO A 2 21.387 -16.957 13.830 1.00 0.00 N ATOM 21 CA PRO A 2 22.317 -15.875 13.540 1.00 0.00 C ATOM 22 C PRO A 2 23.223 -16.201 12.354 1.00 0.00 C ATOM 23 O PRO A 2 23.432 -17.368 12.000 1.00 0.00 O ATOM 24 CB PRO A 2 23.149 -15.695 14.813 1.00 0.00 C ATOM 25 CG PRO A 2 23.083 -17.055 15.487 1.00 0.00 C ATOM 26 CD PRO A 2 21.683 -17.529 15.132 1.00 0.00 C ATOM 0 HA PRO A 2 21.779 -14.968 13.265 1.00 0.00 H new ATOM 0 HB2 PRO A 2 24.176 -15.413 14.582 1.00 0.00 H new ATOM 0 HB3 PRO A 2 22.739 -14.912 15.451 1.00 0.00 H new ATOM 0 HG2 PRO A 2 23.849 -17.733 15.110 1.00 0.00 H new ATOM 0 HG3 PRO A 2 23.226 -16.981 16.565 1.00 0.00 H new ATOM 0 HD2 PRO A 2 21.636 -18.618 15.100 1.00 0.00 H new ATOM 0 HD3 PRO A 2 20.959 -17.200 15.877 1.00 0.00 H new ATOM 34 N LYS A 3 23.800 -15.146 11.785 1.00 0.00 N ATOM 35 CA LYS A 3 24.798 -15.153 10.726 1.00 0.00 C ATOM 36 C LYS A 3 25.783 -14.008 11.015 1.00 0.00 C ATOM 37 O LYS A 3 25.695 -13.379 12.077 1.00 0.00 O ATOM 38 CB LYS A 3 24.135 -15.128 9.323 1.00 0.00 C ATOM 39 CG LYS A 3 22.855 -14.290 9.108 1.00 0.00 C ATOM 40 CD LYS A 3 21.565 -14.894 9.706 1.00 0.00 C ATOM 41 CE LYS A 3 20.297 -14.719 8.853 1.00 0.00 C ATOM 42 NZ LYS A 3 20.001 -13.313 8.512 1.00 0.00 N ATOM 0 H LYS A 3 23.563 -14.197 12.075 1.00 0.00 H new ATOM 0 HA LYS A 3 25.370 -16.080 10.712 1.00 0.00 H new ATOM 0 HB2 LYS A 3 24.882 -14.773 8.613 1.00 0.00 H new ATOM 0 HB3 LYS A 3 23.902 -16.158 9.052 1.00 0.00 H new ATOM 0 HG2 LYS A 3 23.010 -13.302 9.542 1.00 0.00 H new ATOM 0 HG3 LYS A 3 22.708 -14.148 8.037 1.00 0.00 H new ATOM 0 HD2 LYS A 3 21.726 -15.959 9.873 1.00 0.00 H new ATOM 0 HD3 LYS A 3 21.391 -14.441 10.682 1.00 0.00 H new ATOM 0 HE2 LYS A 3 20.407 -15.292 7.932 1.00 0.00 H new ATOM 0 HE3 LYS A 3 19.447 -15.140 9.390 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 19.135 -13.270 7.937 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 19.864 -12.765 9.385 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 20.795 -12.912 7.973 1.00 0.00 H new ATOM 56 N HIS A 4 26.786 -13.819 10.158 1.00 0.00 N ATOM 57 CA HIS A 4 27.740 -12.712 10.236 1.00 0.00 C ATOM 58 C HIS A 4 27.190 -11.521 9.433 1.00 0.00 C ATOM 59 O HIS A 4 26.293 -11.732 8.616 1.00 0.00 O ATOM 60 CB HIS A 4 29.103 -13.185 9.690 1.00 0.00 C ATOM 61 CG HIS A 4 30.006 -13.737 10.767 1.00 0.00 C ATOM 62 ND1 HIS A 4 29.929 -14.990 11.339 1.00 0.00 N ATOM 63 CD2 HIS A 4 31.042 -13.070 11.367 1.00 0.00 C ATOM 64 CE1 HIS A 4 30.901 -15.070 12.266 1.00 0.00 C ATOM 65 NE2 HIS A 4 31.596 -13.926 12.322 1.00 0.00 N ATOM 0 H HIS A 4 26.962 -14.445 9.372 1.00 0.00 H new ATOM 0 HA HIS A 4 27.880 -12.391 11.268 1.00 0.00 H new ATOM 0 HB2 HIS A 4 28.939 -13.951 8.932 1.00 0.00 H new ATOM 0 HB3 HIS A 4 29.601 -12.350 9.197 1.00 0.00 H new ATOM 0 HD2 HIS A 4 31.370 -12.066 11.143 1.00 0.00 H new ATOM 0 HE1 HIS A 4 31.094 -15.937 12.880 1.00 0.00 H new ATOM 0 HE2 HIS A 4 32.379 -13.720 12.942 1.00 0.00 H new ATOM 73 N PRO A 5 27.736 -10.298 9.602 1.00 0.00 N ATOM 74 CA PRO A 5 27.297 -9.122 8.847 1.00 0.00 C ATOM 75 C PRO A 5 27.643 -9.186 7.349 1.00 0.00 C ATOM 76 O PRO A 5 27.119 -8.384 6.582 1.00 0.00 O ATOM 77 CB PRO A 5 27.968 -7.922 9.530 1.00 0.00 C ATOM 78 CG PRO A 5 29.224 -8.519 10.159 1.00 0.00 C ATOM 79 CD PRO A 5 28.762 -9.917 10.568 1.00 0.00 C ATOM 0 HA PRO A 5 26.209 -9.051 8.862 1.00 0.00 H new ATOM 0 HB2 PRO A 5 28.213 -7.139 8.813 1.00 0.00 H new ATOM 0 HB3 PRO A 5 27.318 -7.474 10.282 1.00 0.00 H new ATOM 0 HG2 PRO A 5 30.052 -8.557 9.452 1.00 0.00 H new ATOM 0 HG3 PRO A 5 29.563 -7.938 11.016 1.00 0.00 H new ATOM 0 HD2 PRO A 5 29.593 -10.623 10.554 1.00 0.00 H new ATOM 0 HD3 PRO A 5 28.362 -9.915 11.582 1.00 0.00 H new ATOM 87 N ASP A 6 28.468 -10.156 6.937 1.00 0.00 N ATOM 88 CA ASP A 6 28.924 -10.395 5.566 1.00 0.00 C ATOM 89 C ASP A 6 29.699 -9.193 5.014 1.00 0.00 C ATOM 90 O ASP A 6 29.351 -8.577 4.005 1.00 0.00 O ATOM 91 CB ASP A 6 27.802 -10.933 4.654 1.00 0.00 C ATOM 92 CG ASP A 6 27.470 -12.399 4.937 1.00 0.00 C ATOM 93 OD1 ASP A 6 28.410 -13.212 5.107 1.00 0.00 O ATOM 94 OD2 ASP A 6 26.273 -12.766 4.932 1.00 0.00 O ATOM 0 H ASP A 6 28.857 -10.834 7.592 1.00 0.00 H new ATOM 0 HA ASP A 6 29.649 -11.209 5.586 1.00 0.00 H new ATOM 0 HB2 ASP A 6 26.906 -10.328 4.790 1.00 0.00 H new ATOM 0 HB3 ASP A 6 28.103 -10.827 3.612 1.00 0.00 H new ATOM 99 N SER A 7 30.842 -8.941 5.665 1.00 0.00 N ATOM 100 CA SER A 7 31.819 -7.901 5.357 1.00 0.00 C ATOM 101 C SER A 7 31.308 -6.521 5.796 1.00 0.00 C ATOM 102 O SER A 7 30.266 -6.390 6.441 1.00 0.00 O ATOM 103 CB SER A 7 32.228 -7.976 3.871 1.00 0.00 C ATOM 104 OG SER A 7 33.509 -7.413 3.647 1.00 0.00 O ATOM 0 H SER A 7 31.123 -9.497 6.473 1.00 0.00 H new ATOM 0 HA SER A 7 32.729 -8.071 5.933 1.00 0.00 H new ATOM 0 HB2 SER A 7 32.227 -9.016 3.546 1.00 0.00 H new ATOM 0 HB3 SER A 7 31.490 -7.452 3.264 1.00 0.00 H new ATOM 0 HG SER A 7 33.734 -7.480 2.696 1.00 0.00 H new ATOM 110 N GLU A 8 32.083 -5.487 5.475 1.00 0.00 N ATOM 111 CA GLU A 8 31.824 -4.105 5.848 1.00 0.00 C ATOM 112 C GLU A 8 31.460 -3.342 4.581 1.00 0.00 C ATOM 113 O GLU A 8 32.178 -2.451 4.122 1.00 0.00 O ATOM 114 CB GLU A 8 33.022 -3.498 6.593 1.00 0.00 C ATOM 115 CG GLU A 8 33.392 -4.214 7.906 1.00 0.00 C ATOM 116 CD GLU A 8 32.247 -4.361 8.923 1.00 0.00 C ATOM 117 OE1 GLU A 8 31.255 -3.596 8.840 1.00 0.00 O ATOM 118 OE2 GLU A 8 32.362 -5.264 9.777 1.00 0.00 O ATOM 0 H GLU A 8 32.938 -5.596 4.929 1.00 0.00 H new ATOM 0 HA GLU A 8 30.990 -4.043 6.547 1.00 0.00 H new ATOM 0 HB2 GLU A 8 33.888 -3.510 5.932 1.00 0.00 H new ATOM 0 HB3 GLU A 8 32.804 -2.453 6.814 1.00 0.00 H new ATOM 0 HG2 GLU A 8 33.770 -5.207 7.664 1.00 0.00 H new ATOM 0 HG3 GLU A 8 34.208 -3.669 8.380 1.00 0.00 H new ATOM 125 N ALA A 9 30.348 -3.742 3.966 1.00 0.00 N ATOM 126 CA ALA A 9 29.826 -3.103 2.771 1.00 0.00 C ATOM 127 C ALA A 9 28.300 -3.113 2.838 1.00 0.00 C ATOM 128 O ALA A 9 27.634 -3.850 2.109 1.00 0.00 O ATOM 129 CB ALA A 9 30.385 -3.802 1.527 1.00 0.00 C ATOM 0 H ALA A 9 29.783 -4.527 4.291 1.00 0.00 H new ATOM 0 HA ALA A 9 30.143 -2.062 2.708 1.00 0.00 H new ATOM 0 HB1 ALA A 9 29.992 -3.321 0.632 1.00 0.00 H new ATOM 0 HB2 ALA A 9 31.473 -3.732 1.528 1.00 0.00 H new ATOM 0 HB3 ALA A 9 30.089 -4.851 1.535 1.00 0.00 H new ATOM 135 N VAL A 10 27.771 -2.303 3.748 1.00 0.00 N ATOM 136 CA VAL A 10 26.356 -2.164 4.053 1.00 0.00 C ATOM 137 C VAL A 10 25.860 -0.892 3.362 1.00 0.00 C ATOM 138 O VAL A 10 25.737 0.164 3.984 1.00 0.00 O ATOM 139 CB VAL A 10 26.170 -2.200 5.590 1.00 0.00 C ATOM 140 CG1 VAL A 10 26.379 -3.636 6.092 1.00 0.00 C ATOM 141 CG2 VAL A 10 27.133 -1.294 6.391 1.00 0.00 C ATOM 0 H VAL A 10 28.352 -1.693 4.323 1.00 0.00 H new ATOM 0 HA VAL A 10 25.747 -2.984 3.672 1.00 0.00 H new ATOM 0 HB VAL A 10 25.160 -1.826 5.759 1.00 0.00 H new ATOM 0 HG11 VAL A 10 26.249 -3.666 7.174 1.00 0.00 H new ATOM 0 HG12 VAL A 10 25.651 -4.296 5.621 1.00 0.00 H new ATOM 0 HG13 VAL A 10 27.386 -3.967 5.838 1.00 0.00 H new ATOM 0 HG21 VAL A 10 26.922 -1.391 7.456 1.00 0.00 H new ATOM 0 HG22 VAL A 10 28.162 -1.595 6.196 1.00 0.00 H new ATOM 0 HG23 VAL A 10 26.995 -0.257 6.086 1.00 0.00 H new ATOM 151 N ALA A 11 25.654 -0.949 2.043 1.00 0.00 N ATOM 152 CA ALA A 11 25.194 0.200 1.266 1.00 0.00 C ATOM 153 C ALA A 11 23.845 0.698 1.803 1.00 0.00 C ATOM 154 O ALA A 11 23.107 -0.083 2.402 1.00 0.00 O ATOM 155 CB ALA A 11 25.104 -0.186 -0.214 1.00 0.00 C ATOM 0 H ALA A 11 25.802 -1.792 1.487 1.00 0.00 H new ATOM 0 HA ALA A 11 25.908 1.018 1.363 1.00 0.00 H new ATOM 0 HB1 ALA A 11 24.761 0.671 -0.793 1.00 0.00 H new ATOM 0 HB2 ALA A 11 26.087 -0.495 -0.570 1.00 0.00 H new ATOM 0 HB3 ALA A 11 24.400 -1.010 -0.333 1.00 0.00 H new ATOM 161 N PRO A 12 23.492 1.979 1.606 1.00 0.00 N ATOM 162 CA PRO A 12 22.204 2.499 2.037 1.00 0.00 C ATOM 163 C PRO A 12 21.111 1.780 1.249 1.00 0.00 C ATOM 164 O PRO A 12 21.321 1.403 0.094 1.00 0.00 O ATOM 165 CB PRO A 12 22.253 4.004 1.756 1.00 0.00 C ATOM 166 CG PRO A 12 23.248 4.119 0.603 1.00 0.00 C ATOM 167 CD PRO A 12 24.233 2.986 0.871 1.00 0.00 C ATOM 0 HA PRO A 12 21.990 2.335 3.093 1.00 0.00 H new ATOM 0 HB2 PRO A 12 21.273 4.393 1.481 1.00 0.00 H new ATOM 0 HB3 PRO A 12 22.585 4.565 2.630 1.00 0.00 H new ATOM 0 HG2 PRO A 12 22.758 4.005 -0.364 1.00 0.00 H new ATOM 0 HG3 PRO A 12 23.744 5.089 0.596 1.00 0.00 H new ATOM 0 HD2 PRO A 12 24.624 2.580 -0.062 1.00 0.00 H new ATOM 0 HD3 PRO A 12 25.088 3.340 1.447 1.00 0.00 H new ATOM 175 N ASP A 13 19.948 1.588 1.853 1.00 0.00 N ATOM 176 CA ASP A 13 18.790 0.983 1.199 1.00 0.00 C ATOM 177 C ASP A 13 17.942 2.130 0.619 1.00 0.00 C ATOM 178 O ASP A 13 18.134 3.288 1.022 1.00 0.00 O ATOM 179 CB ASP A 13 18.059 0.110 2.238 1.00 0.00 C ATOM 180 CG ASP A 13 17.465 -1.177 1.650 1.00 0.00 C ATOM 181 OD1 ASP A 13 18.169 -1.906 0.909 1.00 0.00 O ATOM 182 OD2 ASP A 13 16.260 -1.401 1.887 1.00 0.00 O ATOM 0 H ASP A 13 19.776 1.850 2.824 1.00 0.00 H new ATOM 0 HA ASP A 13 19.048 0.324 0.370 1.00 0.00 H new ATOM 0 HB2 ASP A 13 18.755 -0.152 3.034 1.00 0.00 H new ATOM 0 HB3 ASP A 13 17.259 0.694 2.693 1.00 0.00 H new ATOM 187 N PRO A 14 17.061 1.872 -0.362 1.00 0.00 N ATOM 188 CA PRO A 14 16.255 2.897 -1.010 1.00 0.00 C ATOM 189 C PRO A 14 15.181 3.463 -0.064 1.00 0.00 C ATOM 190 O PRO A 14 15.144 3.151 1.127 1.00 0.00 O ATOM 191 CB PRO A 14 15.696 2.221 -2.275 1.00 0.00 C ATOM 192 CG PRO A 14 15.699 0.733 -1.958 1.00 0.00 C ATOM 193 CD PRO A 14 16.831 0.575 -0.966 1.00 0.00 C ATOM 0 HA PRO A 14 16.833 3.780 -1.281 1.00 0.00 H new ATOM 0 HB2 PRO A 14 14.690 2.575 -2.500 1.00 0.00 H new ATOM 0 HB3 PRO A 14 16.314 2.441 -3.146 1.00 0.00 H new ATOM 0 HG2 PRO A 14 14.748 0.413 -1.533 1.00 0.00 H new ATOM 0 HG3 PRO A 14 15.866 0.134 -2.853 1.00 0.00 H new ATOM 0 HD2 PRO A 14 16.575 -0.163 -0.206 1.00 0.00 H new ATOM 0 HD3 PRO A 14 17.732 0.219 -1.465 1.00 0.00 H new ATOM 201 N PHE A 15 14.292 4.294 -0.622 1.00 0.00 N ATOM 202 CA PHE A 15 13.141 4.940 0.009 1.00 0.00 C ATOM 203 C PHE A 15 13.550 6.103 0.909 1.00 0.00 C ATOM 204 O PHE A 15 14.691 6.177 1.371 1.00 0.00 O ATOM 205 CB PHE A 15 12.299 3.920 0.779 1.00 0.00 C ATOM 206 CG PHE A 15 11.957 2.684 -0.029 1.00 0.00 C ATOM 207 CD1 PHE A 15 11.074 2.812 -1.109 1.00 0.00 C ATOM 208 CD2 PHE A 15 12.544 1.433 0.243 1.00 0.00 C ATOM 209 CE1 PHE A 15 10.735 1.705 -1.898 1.00 0.00 C ATOM 210 CE2 PHE A 15 12.196 0.314 -0.537 1.00 0.00 C ATOM 211 CZ PHE A 15 11.297 0.457 -1.610 1.00 0.00 C ATOM 0 H PHE A 15 14.368 4.551 -1.606 1.00 0.00 H new ATOM 0 HA PHE A 15 12.531 5.359 -0.791 1.00 0.00 H new ATOM 0 HB2 PHE A 15 12.839 3.619 1.677 1.00 0.00 H new ATOM 0 HB3 PHE A 15 11.375 4.397 1.107 1.00 0.00 H new ATOM 0 HD1 PHE A 15 10.648 3.778 -1.337 1.00 0.00 H new ATOM 0 HD2 PHE A 15 13.258 1.333 1.047 1.00 0.00 H new ATOM 0 HE1 PHE A 15 10.045 1.814 -2.722 1.00 0.00 H new ATOM 0 HE2 PHE A 15 12.619 -0.654 -0.312 1.00 0.00 H new ATOM 0 HZ PHE A 15 11.040 -0.401 -2.214 1.00 0.00 H new ATOM 221 N ASN A 16 12.617 7.019 1.195 1.00 0.00 N ATOM 222 CA ASN A 16 12.888 8.172 2.055 1.00 0.00 C ATOM 223 C ASN A 16 11.641 8.570 2.851 1.00 0.00 C ATOM 224 O ASN A 16 10.530 8.458 2.329 1.00 0.00 O ATOM 225 CB ASN A 16 13.370 9.359 1.198 1.00 0.00 C ATOM 226 CG ASN A 16 14.751 9.845 1.616 1.00 0.00 C ATOM 227 OD1 ASN A 16 14.885 11.088 2.043 1.00 0.00 O flip ATOM 228 ND2 ASN A 16 15.730 9.123 1.540 1.00 0.00 N flip ATOM 0 H ASN A 16 11.662 6.981 0.839 1.00 0.00 H new ATOM 0 HA ASN A 16 13.668 7.897 2.764 1.00 0.00 H new ATOM 0 HB2 ASN A 16 13.393 9.063 0.149 1.00 0.00 H new ATOM 0 HB3 ASN A 16 12.657 10.179 1.282 1.00 0.00 H new ATOM 0 HD21 ASN A 16 15.631 8.163 1.211 1.00 0.00 H new ATOM 0 HD22 ASN A 16 16.648 9.479 1.806 1.00 0.00 H new ATOM 235 N PRO A 17 11.796 9.131 4.063 1.00 0.00 N ATOM 236 CA PRO A 17 10.710 9.740 4.822 1.00 0.00 C ATOM 237 C PRO A 17 10.300 11.088 4.215 1.00 0.00 C ATOM 238 O PRO A 17 9.119 11.438 4.226 1.00 0.00 O ATOM 239 CB PRO A 17 11.261 9.898 6.243 1.00 0.00 C ATOM 240 CG PRO A 17 12.765 10.017 6.053 1.00 0.00 C ATOM 241 CD PRO A 17 13.030 9.159 4.824 1.00 0.00 C ATOM 0 HA PRO A 17 9.806 9.131 4.810 1.00 0.00 H new ATOM 0 HB2 PRO A 17 10.851 10.781 6.732 1.00 0.00 H new ATOM 0 HB3 PRO A 17 11.006 9.041 6.866 1.00 0.00 H new ATOM 0 HG2 PRO A 17 13.070 11.051 5.895 1.00 0.00 H new ATOM 0 HG3 PRO A 17 13.311 9.653 6.923 1.00 0.00 H new ATOM 0 HD2 PRO A 17 13.843 9.576 4.229 1.00 0.00 H new ATOM 0 HD3 PRO A 17 13.330 8.152 5.112 1.00 0.00 H new ATOM 249 N ALA A 18 11.257 11.821 3.625 1.00 0.00 N ATOM 250 CA ALA A 18 11.081 13.081 2.900 1.00 0.00 C ATOM 251 C ALA A 18 10.335 12.887 1.566 1.00 0.00 C ATOM 252 O ALA A 18 10.729 13.434 0.534 1.00 0.00 O ATOM 253 CB ALA A 18 12.461 13.717 2.669 1.00 0.00 C ATOM 0 H ALA A 18 12.234 11.528 3.645 1.00 0.00 H new ATOM 0 HA ALA A 18 10.462 13.745 3.504 1.00 0.00 H new ATOM 0 HB1 ALA A 18 12.343 14.657 2.129 1.00 0.00 H new ATOM 0 HB2 ALA A 18 12.939 13.908 3.630 1.00 0.00 H new ATOM 0 HB3 ALA A 18 13.081 13.038 2.084 1.00 0.00 H new ATOM 259 N ALA A 19 9.305 12.049 1.547 1.00 0.00 N ATOM 260 CA ALA A 19 8.499 11.721 0.388 1.00 0.00 C ATOM 261 C ALA A 19 7.020 11.538 0.748 1.00 0.00 C ATOM 262 O ALA A 19 6.194 11.626 -0.155 1.00 0.00 O ATOM 263 CB ALA A 19 9.078 10.471 -0.284 1.00 0.00 C ATOM 0 H ALA A 19 8.998 11.557 2.386 1.00 0.00 H new ATOM 0 HA ALA A 19 8.535 12.555 -0.313 1.00 0.00 H new ATOM 0 HB1 ALA A 19 8.478 10.216 -1.158 1.00 0.00 H new ATOM 0 HB2 ALA A 19 10.105 10.667 -0.594 1.00 0.00 H new ATOM 0 HB3 ALA A 19 9.064 9.640 0.421 1.00 0.00 H new ATOM 269 N THR A 20 6.649 11.339 2.022 1.00 0.00 N ATOM 270 CA THR A 20 5.237 11.193 2.368 1.00 0.00 C ATOM 271 C THR A 20 4.470 12.503 2.142 1.00 0.00 C ATOM 272 O THR A 20 3.292 12.468 1.819 1.00 0.00 O ATOM 273 CB THR A 20 5.064 10.788 3.838 1.00 0.00 C ATOM 274 OG1 THR A 20 6.151 10.041 4.354 1.00 0.00 O ATOM 275 CG2 THR A 20 3.787 9.987 4.071 1.00 0.00 C ATOM 0 H THR A 20 7.294 11.277 2.810 1.00 0.00 H new ATOM 0 HA THR A 20 4.837 10.414 1.719 1.00 0.00 H new ATOM 0 HB THR A 20 5.012 11.738 4.369 1.00 0.00 H new ATOM 0 HG1 THR A 20 5.869 9.115 4.506 1.00 0.00 H new ATOM 0 HG21 THR A 20 3.710 9.724 5.126 1.00 0.00 H new ATOM 0 HG22 THR A 20 2.924 10.587 3.782 1.00 0.00 H new ATOM 0 HG23 THR A 20 3.814 9.077 3.471 1.00 0.00 H new ATOM 283 N GLN A 21 5.107 13.665 2.312 1.00 0.00 N ATOM 284 CA GLN A 21 4.434 14.967 2.260 1.00 0.00 C ATOM 285 C GLN A 21 3.698 15.241 0.942 1.00 0.00 C ATOM 286 O GLN A 21 2.788 16.069 0.901 1.00 0.00 O ATOM 287 CB GLN A 21 5.438 16.074 2.605 1.00 0.00 C ATOM 288 CG GLN A 21 6.706 16.145 1.734 1.00 0.00 C ATOM 289 CD GLN A 21 7.992 16.365 2.533 1.00 0.00 C ATOM 290 OE1 GLN A 21 8.004 16.960 3.607 1.00 0.00 O ATOM 291 NE2 GLN A 21 9.117 15.872 2.040 1.00 0.00 N ATOM 0 H GLN A 21 6.109 13.730 2.491 1.00 0.00 H new ATOM 0 HA GLN A 21 3.642 14.951 3.008 1.00 0.00 H new ATOM 0 HB2 GLN A 21 4.925 17.033 2.539 1.00 0.00 H new ATOM 0 HB3 GLN A 21 5.744 15.946 3.643 1.00 0.00 H new ATOM 0 HG2 GLN A 21 6.797 15.220 1.165 1.00 0.00 H new ATOM 0 HG3 GLN A 21 6.595 16.954 1.012 1.00 0.00 H new ATOM 0 HE21 GLN A 21 9.109 15.377 1.148 1.00 0.00 H new ATOM 0 HE22 GLN A 21 9.992 15.987 2.552 1.00 0.00 H new ATOM 300 N LEU A 22 4.066 14.531 -0.127 1.00 0.00 N ATOM 301 CA LEU A 22 3.499 14.687 -1.460 1.00 0.00 C ATOM 302 C LEU A 22 2.263 13.796 -1.644 1.00 0.00 C ATOM 303 O LEU A 22 1.758 13.685 -2.762 1.00 0.00 O ATOM 304 CB LEU A 22 4.568 14.389 -2.536 1.00 0.00 C ATOM 305 CG LEU A 22 5.887 15.194 -2.480 1.00 0.00 C ATOM 306 CD1 LEU A 22 5.712 16.623 -1.946 1.00 0.00 C ATOM 307 CD2 LEU A 22 6.961 14.455 -1.673 1.00 0.00 C ATOM 0 H LEU A 22 4.788 13.812 -0.083 1.00 0.00 H new ATOM 0 HA LEU A 22 3.175 15.721 -1.576 1.00 0.00 H new ATOM 0 HB2 LEU A 22 4.819 13.330 -2.476 1.00 0.00 H new ATOM 0 HB3 LEU A 22 4.115 14.554 -3.514 1.00 0.00 H new ATOM 0 HG LEU A 22 6.216 15.283 -3.515 1.00 0.00 H new ATOM 0 HD11 LEU A 22 6.678 17.128 -1.935 1.00 0.00 H new ATOM 0 HD12 LEU A 22 5.024 17.170 -2.590 1.00 0.00 H new ATOM 0 HD13 LEU A 22 5.310 16.586 -0.934 1.00 0.00 H new ATOM 0 HD21 LEU A 22 7.875 15.049 -1.654 1.00 0.00 H new ATOM 0 HD22 LEU A 22 6.608 14.300 -0.654 1.00 0.00 H new ATOM 0 HD23 LEU A 22 7.165 13.490 -2.137 1.00 0.00 H new ATOM 319 N LEU A 23 1.796 13.123 -0.590 1.00 0.00 N ATOM 320 CA LEU A 23 0.614 12.274 -0.588 1.00 0.00 C ATOM 321 C LEU A 23 -0.591 13.130 -0.224 1.00 0.00 C ATOM 322 O LEU A 23 -1.040 13.112 0.918 1.00 0.00 O ATOM 323 CB LEU A 23 0.756 11.133 0.429 1.00 0.00 C ATOM 324 CG LEU A 23 1.878 10.125 0.182 1.00 0.00 C ATOM 325 CD1 LEU A 23 1.778 9.047 1.265 1.00 0.00 C ATOM 326 CD2 LEU A 23 1.806 9.511 -1.215 1.00 0.00 C ATOM 0 H LEU A 23 2.254 13.160 0.321 1.00 0.00 H new ATOM 0 HA LEU A 23 0.490 11.832 -1.577 1.00 0.00 H new ATOM 0 HB2 LEU A 23 0.906 11.573 1.415 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -0.188 10.589 0.463 1.00 0.00 H new ATOM 0 HG LEU A 23 2.841 10.633 0.234 1.00 0.00 H new ATOM 0 HD11 LEU A 23 2.567 8.309 1.118 1.00 0.00 H new ATOM 0 HD12 LEU A 23 1.890 9.506 2.247 1.00 0.00 H new ATOM 0 HD13 LEU A 23 0.806 8.557 1.202 1.00 0.00 H new ATOM 0 HD21 LEU A 23 2.623 8.801 -1.343 1.00 0.00 H new ATOM 0 HD22 LEU A 23 0.854 8.994 -1.337 1.00 0.00 H new ATOM 0 HD23 LEU A 23 1.889 10.299 -1.963 1.00 0.00 H new ATOM 338 N ASP A 24 -1.090 13.898 -1.185 1.00 0.00 N ATOM 339 CA ASP A 24 -2.288 14.726 -0.974 1.00 0.00 C ATOM 340 C ASP A 24 -3.286 14.624 -2.124 1.00 0.00 C ATOM 341 O ASP A 24 -4.488 14.729 -1.903 1.00 0.00 O ATOM 342 CB ASP A 24 -1.872 16.177 -0.749 1.00 0.00 C ATOM 343 CG ASP A 24 -2.976 16.983 -0.065 1.00 0.00 C ATOM 344 OD1 ASP A 24 -3.179 16.789 1.155 1.00 0.00 O ATOM 345 OD2 ASP A 24 -3.537 17.902 -0.698 1.00 0.00 O ATOM 0 H ASP A 24 -0.689 13.970 -2.120 1.00 0.00 H new ATOM 0 HA ASP A 24 -2.799 14.347 -0.089 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -0.969 16.206 -0.139 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -1.625 16.637 -1.706 1.00 0.00 H new ATOM 350 N ASP A 25 -2.781 14.336 -3.329 1.00 0.00 N ATOM 351 CA ASP A 25 -3.536 14.274 -4.589 1.00 0.00 C ATOM 352 C ASP A 25 -3.280 12.949 -5.323 1.00 0.00 C ATOM 353 O ASP A 25 -3.768 12.723 -6.431 1.00 0.00 O ATOM 354 CB ASP A 25 -3.122 15.449 -5.489 1.00 0.00 C ATOM 355 CG ASP A 25 -3.697 16.783 -5.028 1.00 0.00 C ATOM 356 OD1 ASP A 25 -4.870 17.047 -5.382 1.00 0.00 O ATOM 357 OD2 ASP A 25 -2.940 17.582 -4.430 1.00 0.00 O ATOM 0 H ASP A 25 -1.791 14.130 -3.460 1.00 0.00 H new ATOM 0 HA ASP A 25 -4.599 14.337 -4.358 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -2.034 15.517 -5.511 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -3.450 15.251 -6.509 1.00 0.00 H new ATOM 362 N THR A 26 -2.462 12.078 -4.727 1.00 0.00 N ATOM 363 CA THR A 26 -1.998 10.818 -5.298 1.00 0.00 C ATOM 364 C THR A 26 -3.102 9.763 -5.295 1.00 0.00 C ATOM 365 O THR A 26 -4.260 10.040 -4.988 1.00 0.00 O ATOM 366 CB THR A 26 -0.740 10.361 -4.545 1.00 0.00 C ATOM 367 OG1 THR A 26 -0.979 10.098 -3.179 1.00 0.00 O ATOM 368 CG2 THR A 26 0.364 11.403 -4.620 1.00 0.00 C ATOM 0 H THR A 26 -2.090 12.242 -3.791 1.00 0.00 H new ATOM 0 HA THR A 26 -1.735 10.966 -6.345 1.00 0.00 H new ATOM 0 HB THR A 26 -0.437 9.439 -5.041 1.00 0.00 H new ATOM 0 HG1 THR A 26 -1.088 10.944 -2.697 1.00 0.00 H new ATOM 0 HG21 THR A 26 1.239 11.046 -4.076 1.00 0.00 H new ATOM 0 HG22 THR A 26 0.630 11.576 -5.663 1.00 0.00 H new ATOM 0 HG23 THR A 26 0.016 12.335 -4.175 1.00 0.00 H new ATOM 376 N SER A 27 -2.777 8.523 -5.651 1.00 0.00 N ATOM 377 CA SER A 27 -3.818 7.521 -5.733 1.00 0.00 C ATOM 378 C SER A 27 -3.257 6.152 -5.451 1.00 0.00 C ATOM 379 O SER A 27 -3.523 5.631 -4.383 1.00 0.00 O ATOM 380 CB SER A 27 -4.504 7.681 -7.082 1.00 0.00 C ATOM 381 OG SER A 27 -5.845 8.073 -7.016 1.00 0.00 O ATOM 0 H SER A 27 -1.836 8.202 -5.878 1.00 0.00 H new ATOM 0 HA SER A 27 -4.582 7.654 -4.967 1.00 0.00 H new ATOM 0 HB2 SER A 27 -3.954 8.417 -7.669 1.00 0.00 H new ATOM 0 HB3 SER A 27 -4.443 6.735 -7.619 1.00 0.00 H new ATOM 0 HG SER A 27 -6.207 8.154 -7.923 1.00 0.00 H new ATOM 387 N TRP A 28 -2.352 5.655 -6.287 1.00 0.00 N ATOM 388 CA TRP A 28 -1.707 4.354 -6.136 1.00 0.00 C ATOM 389 C TRP A 28 -2.689 3.201 -6.266 1.00 0.00 C ATOM 390 O TRP A 28 -3.897 3.321 -6.077 1.00 0.00 O ATOM 391 CB TRP A 28 -0.916 4.192 -4.819 1.00 0.00 C ATOM 392 CG TRP A 28 -0.159 5.373 -4.317 1.00 0.00 C ATOM 393 CD1 TRP A 28 -0.684 6.379 -3.592 1.00 0.00 C ATOM 394 CD2 TRP A 28 1.238 5.711 -4.511 1.00 0.00 C ATOM 395 NE1 TRP A 28 0.257 7.353 -3.378 1.00 0.00 N ATOM 396 CE2 TRP A 28 1.473 6.987 -3.916 1.00 0.00 C ATOM 397 CE3 TRP A 28 2.303 5.095 -5.195 1.00 0.00 C ATOM 398 CZ2 TRP A 28 2.721 7.613 -3.994 1.00 0.00 C ATOM 399 CZ3 TRP A 28 3.552 5.724 -5.300 1.00 0.00 C ATOM 400 CH2 TRP A 28 3.763 6.956 -4.659 1.00 0.00 C ATOM 0 H TRP A 28 -2.037 6.161 -7.114 1.00 0.00 H new ATOM 0 HA TRP A 28 -0.993 4.320 -6.959 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -1.617 3.888 -4.042 1.00 0.00 H new ATOM 0 HB3 TRP A 28 -0.210 3.372 -4.950 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -1.701 6.414 -3.231 1.00 0.00 H new ATOM 0 HE1 TRP A 28 0.081 8.230 -2.887 1.00 0.00 H new ATOM 0 HE3 TRP A 28 2.156 4.124 -5.645 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 2.878 8.585 -3.550 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 4.346 5.264 -5.870 1.00 0.00 H new ATOM 0 HH2 TRP A 28 4.746 7.404 -4.680 1.00 0.00 H new ATOM 411 N VAL A 29 -2.137 2.040 -6.565 1.00 0.00 N ATOM 412 CA VAL A 29 -2.892 0.821 -6.749 1.00 0.00 C ATOM 413 C VAL A 29 -2.024 -0.240 -6.107 1.00 0.00 C ATOM 414 O VAL A 29 -0.811 -0.262 -6.324 1.00 0.00 O ATOM 415 CB VAL A 29 -3.158 0.617 -8.253 1.00 0.00 C ATOM 416 CG1 VAL A 29 -3.924 -0.667 -8.568 1.00 0.00 C ATOM 417 CG2 VAL A 29 -3.949 1.798 -8.816 1.00 0.00 C ATOM 0 H VAL A 29 -1.132 1.919 -6.689 1.00 0.00 H new ATOM 0 HA VAL A 29 -3.882 0.810 -6.293 1.00 0.00 H new ATOM 0 HB VAL A 29 -2.176 0.542 -8.719 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -4.076 -0.745 -9.645 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -3.352 -1.527 -8.219 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -4.891 -0.646 -8.066 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -4.130 1.641 -9.879 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -4.902 1.879 -8.294 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -3.379 2.717 -8.677 1.00 0.00 H new ATOM 427 N LEU A 30 -2.614 -1.047 -5.231 1.00 0.00 N ATOM 428 CA LEU A 30 -1.912 -2.192 -4.678 1.00 0.00 C ATOM 429 C LEU A 30 -1.689 -3.170 -5.834 1.00 0.00 C ATOM 430 O LEU A 30 -2.456 -3.178 -6.801 1.00 0.00 O ATOM 431 CB LEU A 30 -2.752 -2.771 -3.530 1.00 0.00 C ATOM 432 CG LEU A 30 -2.036 -3.923 -2.813 1.00 0.00 C ATOM 433 CD1 LEU A 30 -0.807 -3.507 -2.022 1.00 0.00 C ATOM 434 CD2 LEU A 30 -2.997 -4.681 -1.897 1.00 0.00 C ATOM 0 H LEU A 30 -3.569 -0.928 -4.893 1.00 0.00 H new ATOM 0 HA LEU A 30 -0.941 -1.942 -4.251 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -2.976 -1.982 -2.812 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -3.705 -3.126 -3.922 1.00 0.00 H new ATOM 0 HG LEU A 30 -1.684 -4.573 -3.614 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -0.365 -4.384 -1.549 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -0.079 -3.051 -2.693 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -1.094 -2.787 -1.256 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -2.464 -5.492 -1.401 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -3.399 -3.999 -1.147 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -3.815 -5.093 -2.488 1.00 0.00 H new ATOM 446 N SER A 31 -0.682 -4.027 -5.769 1.00 0.00 N ATOM 447 CA SER A 31 -0.586 -5.108 -6.743 1.00 0.00 C ATOM 448 C SER A 31 0.094 -6.326 -6.160 1.00 0.00 C ATOM 449 O SER A 31 -0.169 -7.431 -6.639 1.00 0.00 O ATOM 450 CB SER A 31 0.172 -4.552 -7.967 1.00 0.00 C ATOM 451 OG SER A 31 -0.190 -5.138 -9.202 1.00 0.00 O ATOM 0 H SER A 31 0.063 -4.000 -5.073 1.00 0.00 H new ATOM 0 HA SER A 31 -1.580 -5.444 -7.039 1.00 0.00 H new ATOM 0 HB2 SER A 31 0.000 -3.477 -8.026 1.00 0.00 H new ATOM 0 HB3 SER A 31 1.241 -4.696 -7.811 1.00 0.00 H new ATOM 0 HG SER A 31 0.333 -4.730 -9.923 1.00 0.00 H new ATOM 457 N ALA A 32 0.870 -6.175 -5.083 1.00 0.00 N ATOM 458 CA ALA A 32 1.478 -7.315 -4.443 1.00 0.00 C ATOM 459 C ALA A 32 1.519 -7.100 -2.934 1.00 0.00 C ATOM 460 O ALA A 32 1.818 -5.998 -2.472 1.00 0.00 O ATOM 461 CB ALA A 32 2.858 -7.518 -5.064 1.00 0.00 C ATOM 0 H ALA A 32 1.083 -5.277 -4.649 1.00 0.00 H new ATOM 0 HA ALA A 32 0.898 -8.224 -4.601 1.00 0.00 H new ATOM 0 HB1 ALA A 32 3.344 -8.376 -4.599 1.00 0.00 H new ATOM 0 HB2 ALA A 32 2.753 -7.697 -6.134 1.00 0.00 H new ATOM 0 HB3 ALA A 32 3.464 -6.626 -4.903 1.00 0.00 H new ATOM 467 N TRP A 33 1.249 -8.157 -2.173 1.00 0.00 N ATOM 468 CA TRP A 33 1.247 -8.147 -0.719 1.00 0.00 C ATOM 469 C TRP A 33 2.314 -9.113 -0.230 1.00 0.00 C ATOM 470 O TRP A 33 2.076 -10.322 -0.177 1.00 0.00 O ATOM 471 CB TRP A 33 -0.144 -8.532 -0.214 1.00 0.00 C ATOM 472 CG TRP A 33 -0.375 -8.485 1.265 1.00 0.00 C ATOM 473 CD1 TRP A 33 0.535 -8.599 2.265 1.00 0.00 C ATOM 474 CD2 TRP A 33 -1.652 -8.285 1.926 1.00 0.00 C ATOM 475 NE1 TRP A 33 -0.090 -8.485 3.483 1.00 0.00 N ATOM 476 CE2 TRP A 33 -1.435 -8.239 3.333 1.00 0.00 C ATOM 477 CE3 TRP A 33 -2.969 -8.116 1.456 1.00 0.00 C ATOM 478 CZ2 TRP A 33 -2.470 -7.985 4.235 1.00 0.00 C ATOM 479 CZ3 TRP A 33 -4.025 -7.882 2.360 1.00 0.00 C ATOM 480 CH2 TRP A 33 -3.771 -7.814 3.743 1.00 0.00 C ATOM 0 H TRP A 33 1.019 -9.070 -2.566 1.00 0.00 H new ATOM 0 HA TRP A 33 1.476 -7.154 -0.332 1.00 0.00 H new ATOM 0 HB2 TRP A 33 -0.870 -7.873 -0.690 1.00 0.00 H new ATOM 0 HB3 TRP A 33 -0.359 -9.544 -0.557 1.00 0.00 H new ATOM 0 HD1 TRP A 33 1.594 -8.756 2.124 1.00 0.00 H new ATOM 0 HE1 TRP A 33 0.383 -8.572 4.383 1.00 0.00 H new ATOM 0 HE3 TRP A 33 -3.171 -8.166 0.396 1.00 0.00 H new ATOM 0 HZ2 TRP A 33 -2.271 -7.921 5.295 1.00 0.00 H new ATOM 0 HZ3 TRP A 33 -5.032 -7.755 1.991 1.00 0.00 H new ATOM 0 HH2 TRP A 33 -4.584 -7.629 4.429 1.00 0.00 H new ATOM 491 N LYS A 34 3.491 -8.609 0.132 1.00 0.00 N ATOM 492 CA LYS A 34 4.552 -9.449 0.661 1.00 0.00 C ATOM 493 C LYS A 34 4.308 -9.648 2.150 1.00 0.00 C ATOM 494 O LYS A 34 4.023 -8.684 2.860 1.00 0.00 O ATOM 495 CB LYS A 34 5.913 -8.787 0.418 1.00 0.00 C ATOM 496 CG LYS A 34 6.991 -9.819 0.091 1.00 0.00 C ATOM 497 CD LYS A 34 7.189 -9.913 -1.424 1.00 0.00 C ATOM 498 CE LYS A 34 8.131 -8.810 -1.912 1.00 0.00 C ATOM 499 NZ LYS A 34 8.482 -8.955 -3.336 1.00 0.00 N ATOM 0 H LYS A 34 3.731 -7.620 0.067 1.00 0.00 H new ATOM 0 HA LYS A 34 4.555 -10.417 0.159 1.00 0.00 H new ATOM 0 HB2 LYS A 34 5.830 -8.074 -0.403 1.00 0.00 H new ATOM 0 HB3 LYS A 34 6.206 -8.222 1.303 1.00 0.00 H new ATOM 0 HG2 LYS A 34 7.929 -9.541 0.571 1.00 0.00 H new ATOM 0 HG3 LYS A 34 6.706 -10.793 0.489 1.00 0.00 H new ATOM 0 HD2 LYS A 34 7.598 -10.889 -1.683 1.00 0.00 H new ATOM 0 HD3 LYS A 34 6.227 -9.827 -1.928 1.00 0.00 H new ATOM 0 HE2 LYS A 34 7.661 -7.839 -1.754 1.00 0.00 H new ATOM 0 HE3 LYS A 34 9.042 -8.824 -1.314 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 9.121 -8.184 -3.616 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 8.956 -9.869 -3.486 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 7.617 -8.915 -3.913 1.00 0.00 H new ATOM 513 N GLN A 35 4.426 -10.874 2.631 1.00 0.00 N ATOM 514 CA GLN A 35 4.440 -11.168 4.053 1.00 0.00 C ATOM 515 C GLN A 35 5.787 -10.770 4.644 1.00 0.00 C ATOM 516 O GLN A 35 6.766 -10.641 3.903 1.00 0.00 O ATOM 517 CB GLN A 35 4.182 -12.664 4.283 1.00 0.00 C ATOM 518 CG GLN A 35 2.826 -13.043 3.687 1.00 0.00 C ATOM 519 CD GLN A 35 2.325 -14.407 4.124 1.00 0.00 C ATOM 520 OE1 GLN A 35 1.201 -14.543 4.598 1.00 0.00 O ATOM 521 NE2 GLN A 35 3.119 -15.439 3.900 1.00 0.00 N ATOM 0 H GLN A 35 4.516 -11.700 2.040 1.00 0.00 H new ATOM 0 HA GLN A 35 3.652 -10.598 4.546 1.00 0.00 H new ATOM 0 HB2 GLN A 35 4.973 -13.256 3.822 1.00 0.00 H new ATOM 0 HB3 GLN A 35 4.198 -12.887 5.350 1.00 0.00 H new ATOM 0 HG2 GLN A 35 2.092 -12.289 3.970 1.00 0.00 H new ATOM 0 HG3 GLN A 35 2.899 -13.024 2.600 1.00 0.00 H new ATOM 0 HE21 GLN A 35 4.048 -15.292 3.505 1.00 0.00 H new ATOM 0 HE22 GLN A 35 2.803 -16.383 4.122 1.00 0.00 H new ATOM 530 N ALA A 36 5.854 -10.729 5.976 1.00 0.00 N ATOM 531 CA ALA A 36 7.018 -10.525 6.843 1.00 0.00 C ATOM 532 C ALA A 36 8.137 -11.582 6.703 1.00 0.00 C ATOM 533 O ALA A 36 8.981 -11.734 7.593 1.00 0.00 O ATOM 534 CB ALA A 36 6.488 -10.490 8.279 1.00 0.00 C ATOM 0 H ALA A 36 5.007 -10.850 6.532 1.00 0.00 H new ATOM 0 HA ALA A 36 7.502 -9.595 6.546 1.00 0.00 H new ATOM 0 HB1 ALA A 36 7.318 -10.340 8.970 1.00 0.00 H new ATOM 0 HB2 ALA A 36 5.776 -9.672 8.384 1.00 0.00 H new ATOM 0 HB3 ALA A 36 5.993 -11.434 8.507 1.00 0.00 H new ATOM 540 N ASP A 37 8.120 -12.345 5.617 1.00 0.00 N ATOM 541 CA ASP A 37 9.054 -13.409 5.268 1.00 0.00 C ATOM 542 C ASP A 37 9.586 -13.234 3.839 1.00 0.00 C ATOM 543 O ASP A 37 10.626 -13.799 3.508 1.00 0.00 O ATOM 544 CB ASP A 37 8.351 -14.770 5.425 1.00 0.00 C ATOM 545 CG ASP A 37 8.965 -15.579 6.563 1.00 0.00 C ATOM 546 OD1 ASP A 37 9.925 -16.341 6.311 1.00 0.00 O ATOM 547 OD2 ASP A 37 8.459 -15.490 7.706 1.00 0.00 O ATOM 0 H ASP A 37 7.400 -12.228 4.904 1.00 0.00 H new ATOM 0 HA ASP A 37 9.910 -13.363 5.941 1.00 0.00 H new ATOM 0 HB2 ASP A 37 7.290 -14.614 5.617 1.00 0.00 H new ATOM 0 HB3 ASP A 37 8.427 -15.331 4.494 1.00 0.00 H new ATOM 552 N GLY A 38 8.913 -12.441 2.988 1.00 0.00 N ATOM 553 CA GLY A 38 9.263 -12.261 1.576 1.00 0.00 C ATOM 554 C GLY A 38 8.296 -12.953 0.601 1.00 0.00 C ATOM 555 O GLY A 38 8.513 -12.912 -0.614 1.00 0.00 O ATOM 0 H GLY A 38 8.097 -11.899 3.271 1.00 0.00 H new ATOM 0 HA2 GLY A 38 9.289 -11.195 1.351 1.00 0.00 H new ATOM 0 HA3 GLY A 38 10.269 -12.646 1.409 1.00 0.00 H new ATOM 559 N THR A 39 7.217 -13.563 1.102 1.00 0.00 N ATOM 560 CA THR A 39 6.204 -14.271 0.326 1.00 0.00 C ATOM 561 C THR A 39 5.093 -13.332 -0.146 1.00 0.00 C ATOM 562 O THR A 39 4.327 -12.826 0.665 1.00 0.00 O ATOM 563 CB THR A 39 5.678 -15.450 1.157 1.00 0.00 C ATOM 564 OG1 THR A 39 6.624 -16.502 1.176 1.00 0.00 O ATOM 565 CG2 THR A 39 4.379 -16.045 0.614 1.00 0.00 C ATOM 0 H THR A 39 7.021 -13.575 2.103 1.00 0.00 H new ATOM 0 HA THR A 39 6.651 -14.666 -0.586 1.00 0.00 H new ATOM 0 HB THR A 39 5.497 -15.040 2.150 1.00 0.00 H new ATOM 0 HG1 THR A 39 6.276 -17.246 1.711 1.00 0.00 H new ATOM 0 HG21 THR A 39 4.065 -16.873 1.249 1.00 0.00 H new ATOM 0 HG22 THR A 39 3.603 -15.279 0.606 1.00 0.00 H new ATOM 0 HG23 THR A 39 4.541 -16.408 -0.401 1.00 0.00 H new ATOM 573 N ALA A 40 4.982 -13.106 -1.452 1.00 0.00 N ATOM 574 CA ALA A 40 3.827 -12.489 -2.094 1.00 0.00 C ATOM 575 C ALA A 40 2.549 -13.339 -1.996 1.00 0.00 C ATOM 576 O ALA A 40 2.425 -14.357 -2.677 1.00 0.00 O ATOM 577 CB ALA A 40 4.216 -12.240 -3.546 1.00 0.00 C ATOM 0 H ALA A 40 5.718 -13.356 -2.113 1.00 0.00 H new ATOM 0 HA ALA A 40 3.580 -11.560 -1.580 1.00 0.00 H new ATOM 0 HB1 ALA A 40 3.381 -11.777 -4.072 1.00 0.00 H new ATOM 0 HB2 ALA A 40 5.080 -11.577 -3.583 1.00 0.00 H new ATOM 0 HB3 ALA A 40 4.465 -13.188 -4.024 1.00 0.00 H new ATOM 583 N ARG A 41 1.585 -12.895 -1.183 1.00 0.00 N ATOM 584 CA ARG A 41 0.264 -13.503 -0.997 1.00 0.00 C ATOM 585 C ARG A 41 -0.544 -13.529 -2.293 1.00 0.00 C ATOM 586 O ARG A 41 -0.299 -12.727 -3.204 1.00 0.00 O ATOM 587 CB ARG A 41 -0.523 -12.699 0.056 1.00 0.00 C ATOM 588 CG ARG A 41 -0.142 -13.083 1.489 1.00 0.00 C ATOM 589 CD ARG A 41 -0.555 -11.979 2.484 1.00 0.00 C ATOM 590 NE ARG A 41 -1.530 -12.409 3.508 1.00 0.00 N ATOM 591 CZ ARG A 41 -2.868 -12.326 3.446 1.00 0.00 C ATOM 592 NH1 ARG A 41 -3.474 -11.939 2.327 1.00 0.00 N ATOM 593 NH2 ARG A 41 -3.610 -12.645 4.504 1.00 0.00 N ATOM 0 H ARG A 41 1.711 -12.061 -0.609 1.00 0.00 H new ATOM 0 HA ARG A 41 0.419 -14.531 -0.670 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -0.341 -11.635 -0.093 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -1.591 -12.863 -0.089 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -0.627 -14.021 1.759 1.00 0.00 H new ATOM 0 HG3 ARG A 41 0.933 -13.250 1.551 1.00 0.00 H new ATOM 0 HD2 ARG A 41 0.338 -11.607 2.985 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -0.978 -11.144 1.925 1.00 0.00 H new ATOM 0 HE ARG A 41 -1.142 -12.815 4.359 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -2.921 -11.701 1.504 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -4.492 -11.880 2.292 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -3.162 -12.954 5.367 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -4.627 -12.580 4.452 1.00 0.00 H new ATOM 607 N ALA A 42 -1.575 -14.380 -2.337 1.00 0.00 N ATOM 608 CA ALA A 42 -2.678 -14.275 -3.295 1.00 0.00 C ATOM 609 C ALA A 42 -3.359 -12.924 -3.106 1.00 0.00 C ATOM 610 O ALA A 42 -3.720 -12.611 -1.967 1.00 0.00 O ATOM 611 CB ALA A 42 -3.709 -15.401 -3.104 1.00 0.00 C ATOM 0 H ALA A 42 -1.667 -15.171 -1.699 1.00 0.00 H new ATOM 0 HA ALA A 42 -2.272 -14.367 -4.302 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -4.511 -15.288 -3.833 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -3.224 -16.367 -3.246 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -4.124 -15.348 -2.097 1.00 0.00 H new ATOM 617 N VAL A 43 -3.534 -12.171 -4.193 1.00 0.00 N ATOM 618 CA VAL A 43 -4.259 -10.903 -4.253 1.00 0.00 C ATOM 619 C VAL A 43 -4.983 -10.822 -5.614 1.00 0.00 C ATOM 620 O VAL A 43 -4.647 -11.603 -6.511 1.00 0.00 O ATOM 621 CB VAL A 43 -3.296 -9.716 -4.005 1.00 0.00 C ATOM 622 CG1 VAL A 43 -2.592 -9.827 -2.640 1.00 0.00 C ATOM 623 CG2 VAL A 43 -2.231 -9.491 -5.102 1.00 0.00 C ATOM 0 H VAL A 43 -3.155 -12.443 -5.100 1.00 0.00 H new ATOM 0 HA VAL A 43 -5.010 -10.847 -3.465 1.00 0.00 H new ATOM 0 HB VAL A 43 -3.954 -8.847 -4.026 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -1.925 -8.975 -2.504 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -3.338 -9.834 -1.845 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -2.014 -10.750 -2.603 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -1.608 -8.638 -4.834 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -1.608 -10.381 -5.193 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -2.725 -9.295 -6.054 1.00 0.00 H new ATOM 633 N PRO A 44 -5.976 -9.936 -5.815 1.00 0.00 N ATOM 634 CA PRO A 44 -6.579 -9.713 -7.125 1.00 0.00 C ATOM 635 C PRO A 44 -5.688 -8.808 -7.987 1.00 0.00 C ATOM 636 O PRO A 44 -5.600 -7.608 -7.723 1.00 0.00 O ATOM 637 CB PRO A 44 -7.932 -9.059 -6.836 1.00 0.00 C ATOM 638 CG PRO A 44 -7.713 -8.316 -5.517 1.00 0.00 C ATOM 639 CD PRO A 44 -6.686 -9.185 -4.788 1.00 0.00 C ATOM 0 HA PRO A 44 -6.696 -10.639 -7.688 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -8.223 -8.377 -7.634 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -8.724 -9.803 -6.748 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -7.340 -7.305 -5.682 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -8.638 -8.225 -4.948 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -5.996 -8.569 -4.211 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -7.177 -9.858 -4.085 1.00 0.00 H new ATOM 647 N SER A 45 -5.027 -9.357 -9.002 1.00 0.00 N ATOM 648 CA SER A 45 -4.300 -8.599 -10.012 1.00 0.00 C ATOM 649 C SER A 45 -5.252 -7.750 -10.876 1.00 0.00 C ATOM 650 O SER A 45 -6.472 -7.948 -10.846 1.00 0.00 O ATOM 651 CB SER A 45 -3.492 -9.583 -10.880 1.00 0.00 C ATOM 652 OG SER A 45 -3.307 -10.852 -10.265 1.00 0.00 O ATOM 0 H SER A 45 -4.982 -10.366 -9.147 1.00 0.00 H new ATOM 0 HA SER A 45 -3.622 -7.903 -9.519 1.00 0.00 H new ATOM 0 HB2 SER A 45 -4.002 -9.720 -11.833 1.00 0.00 H new ATOM 0 HB3 SER A 45 -2.517 -9.148 -11.100 1.00 0.00 H new ATOM 0 HG SER A 45 -2.790 -11.433 -10.862 1.00 0.00 H new ATOM 658 N ALA A 46 -4.708 -6.844 -11.697 1.00 0.00 N ATOM 659 CA ALA A 46 -5.489 -6.043 -12.636 1.00 0.00 C ATOM 660 C ALA A 46 -6.167 -6.940 -13.666 1.00 0.00 C ATOM 661 O ALA A 46 -7.390 -6.915 -13.807 1.00 0.00 O ATOM 662 CB ALA A 46 -4.611 -4.985 -13.312 1.00 0.00 C ATOM 0 H ALA A 46 -3.707 -6.648 -11.726 1.00 0.00 H new ATOM 0 HA ALA A 46 -6.267 -5.520 -12.080 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -5.215 -4.401 -14.007 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -4.189 -4.325 -12.555 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -3.804 -5.476 -13.856 1.00 0.00 H new ATOM 668 N ASP A 47 -5.394 -7.776 -14.365 1.00 0.00 N ATOM 669 CA ASP A 47 -5.960 -8.621 -15.418 1.00 0.00 C ATOM 670 C ASP A 47 -6.908 -9.700 -14.861 1.00 0.00 C ATOM 671 O ASP A 47 -7.659 -10.312 -15.616 1.00 0.00 O ATOM 672 CB ASP A 47 -4.864 -9.203 -16.328 1.00 0.00 C ATOM 673 CG ASP A 47 -5.277 -9.013 -17.793 1.00 0.00 C ATOM 674 OD1 ASP A 47 -6.179 -9.743 -18.258 1.00 0.00 O ATOM 675 OD2 ASP A 47 -4.811 -8.049 -18.445 1.00 0.00 O ATOM 0 H ASP A 47 -4.390 -7.885 -14.224 1.00 0.00 H new ATOM 0 HA ASP A 47 -6.579 -7.979 -16.045 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -3.913 -8.705 -16.137 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -4.719 -10.261 -16.112 1.00 0.00 H new ATOM 680 N GLN A 48 -6.943 -9.893 -13.534 1.00 0.00 N ATOM 681 CA GLN A 48 -7.875 -10.806 -12.875 1.00 0.00 C ATOM 682 C GLN A 48 -9.300 -10.248 -12.783 1.00 0.00 C ATOM 683 O GLN A 48 -10.208 -11.016 -12.475 1.00 0.00 O ATOM 684 CB GLN A 48 -7.403 -11.144 -11.451 1.00 0.00 C ATOM 685 CG GLN A 48 -6.095 -11.935 -11.427 1.00 0.00 C ATOM 686 CD GLN A 48 -6.282 -13.368 -11.892 1.00 0.00 C ATOM 687 OE1 GLN A 48 -6.834 -14.196 -11.175 1.00 0.00 O ATOM 688 NE2 GLN A 48 -5.804 -13.703 -13.077 1.00 0.00 N ATOM 0 H GLN A 48 -6.318 -9.413 -12.887 1.00 0.00 H new ATOM 0 HA GLN A 48 -7.893 -11.700 -13.498 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -7.272 -10.220 -10.888 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -8.178 -11.719 -10.944 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -5.362 -11.441 -12.065 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -5.690 -11.933 -10.415 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -5.348 -13.001 -13.660 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -5.891 -14.663 -13.409 1.00 0.00 H new ATOM 697 N GLY A 49 -9.502 -8.937 -12.954 1.00 0.00 N ATOM 698 CA GLY A 49 -10.820 -8.319 -12.945 1.00 0.00 C ATOM 699 C GLY A 49 -10.787 -6.993 -12.205 1.00 0.00 C ATOM 700 O GLY A 49 -10.571 -5.943 -12.804 1.00 0.00 O ATOM 0 H GLY A 49 -8.742 -8.273 -13.104 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -11.160 -8.161 -13.969 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -11.538 -8.988 -12.470 1.00 0.00 H new ATOM 704 N ALA A 50 -10.998 -7.056 -10.895 1.00 0.00 N ATOM 705 CA ALA A 50 -11.218 -5.951 -9.988 1.00 0.00 C ATOM 706 C ALA A 50 -10.077 -5.907 -8.963 1.00 0.00 C ATOM 707 O ALA A 50 -10.172 -6.557 -7.919 1.00 0.00 O ATOM 708 CB ALA A 50 -12.589 -6.101 -9.331 1.00 0.00 C ATOM 0 H ALA A 50 -11.020 -7.953 -10.409 1.00 0.00 H new ATOM 0 HA ALA A 50 -11.216 -5.002 -10.524 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -12.758 -5.269 -8.647 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -13.362 -6.101 -10.099 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -12.627 -7.039 -8.778 1.00 0.00 H new ATOM 714 N PRO A 51 -8.950 -5.249 -9.270 1.00 0.00 N ATOM 715 CA PRO A 51 -7.889 -5.008 -8.303 1.00 0.00 C ATOM 716 C PRO A 51 -8.292 -3.957 -7.251 1.00 0.00 C ATOM 717 O PRO A 51 -9.347 -3.321 -7.324 1.00 0.00 O ATOM 718 CB PRO A 51 -6.699 -4.531 -9.144 1.00 0.00 C ATOM 719 CG PRO A 51 -7.399 -3.778 -10.269 1.00 0.00 C ATOM 720 CD PRO A 51 -8.606 -4.667 -10.555 1.00 0.00 C ATOM 0 HA PRO A 51 -7.657 -5.905 -7.729 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -6.028 -3.887 -8.576 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -6.102 -5.363 -9.518 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -7.696 -2.775 -9.963 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -6.759 -3.668 -11.144 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -9.435 -4.089 -10.962 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -8.365 -5.438 -11.287 1.00 0.00 H new ATOM 728 N ILE A 52 -7.408 -3.757 -6.278 1.00 0.00 N ATOM 729 CA ILE A 52 -7.497 -2.817 -5.164 1.00 0.00 C ATOM 730 C ILE A 52 -6.831 -1.490 -5.565 1.00 0.00 C ATOM 731 O ILE A 52 -5.600 -1.464 -5.685 1.00 0.00 O ATOM 732 CB ILE A 52 -6.843 -3.446 -3.913 1.00 0.00 C ATOM 733 CG1 ILE A 52 -7.570 -4.764 -3.585 1.00 0.00 C ATOM 734 CG2 ILE A 52 -6.847 -2.431 -2.754 1.00 0.00 C ATOM 735 CD1 ILE A 52 -7.006 -5.489 -2.383 1.00 0.00 C ATOM 0 H ILE A 52 -6.540 -4.292 -6.245 1.00 0.00 H new ATOM 0 HA ILE A 52 -8.538 -2.604 -4.921 1.00 0.00 H new ATOM 0 HB ILE A 52 -5.797 -3.691 -4.095 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -8.625 -4.552 -3.408 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -7.518 -5.422 -4.452 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -6.385 -2.880 -1.875 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -6.285 -1.544 -3.046 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -7.874 -2.150 -2.520 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -7.569 -6.407 -2.215 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -5.959 -5.733 -2.564 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -7.083 -4.850 -1.503 1.00 0.00 H new ATOM 747 N THR A 53 -7.604 -0.414 -5.751 1.00 0.00 N ATOM 748 CA THR A 53 -7.145 0.901 -6.201 1.00 0.00 C ATOM 749 C THR A 53 -7.362 1.920 -5.075 1.00 0.00 C ATOM 750 O THR A 53 -8.501 2.117 -4.647 1.00 0.00 O ATOM 751 CB THR A 53 -7.905 1.314 -7.477 1.00 0.00 C ATOM 752 OG1 THR A 53 -9.281 1.533 -7.235 1.00 0.00 O ATOM 753 CG2 THR A 53 -7.847 0.264 -8.583 1.00 0.00 C ATOM 0 H THR A 53 -8.610 -0.439 -5.584 1.00 0.00 H new ATOM 0 HA THR A 53 -6.082 0.863 -6.441 1.00 0.00 H new ATOM 0 HB THR A 53 -7.401 2.228 -7.790 1.00 0.00 H new ATOM 0 HG1 THR A 53 -9.423 1.695 -6.279 1.00 0.00 H new ATOM 0 HG21 THR A 53 -8.402 0.619 -9.451 1.00 0.00 H new ATOM 0 HG22 THR A 53 -6.808 0.088 -8.863 1.00 0.00 H new ATOM 0 HG23 THR A 53 -8.289 -0.666 -8.225 1.00 0.00 H new ATOM 761 N LEU A 54 -6.303 2.535 -4.546 1.00 0.00 N ATOM 762 CA LEU A 54 -6.395 3.576 -3.513 1.00 0.00 C ATOM 763 C LEU A 54 -6.703 4.914 -4.205 1.00 0.00 C ATOM 764 O LEU A 54 -6.575 5.037 -5.425 1.00 0.00 O ATOM 765 CB LEU A 54 -5.053 3.559 -2.748 1.00 0.00 C ATOM 766 CG LEU A 54 -4.666 4.687 -1.764 1.00 0.00 C ATOM 767 CD1 LEU A 54 -5.652 4.889 -0.611 1.00 0.00 C ATOM 768 CD2 LEU A 54 -3.241 4.412 -1.212 1.00 0.00 C ATOM 0 H LEU A 54 -5.345 2.324 -4.824 1.00 0.00 H new ATOM 0 HA LEU A 54 -7.196 3.411 -2.792 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -5.021 2.625 -2.187 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -4.263 3.508 -3.497 1.00 0.00 H new ATOM 0 HG LEU A 54 -4.694 5.617 -2.331 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -5.302 5.699 0.029 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -6.634 5.141 -1.012 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -5.723 3.971 -0.028 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -2.961 5.204 -0.517 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -3.230 3.453 -0.693 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -2.530 4.386 -2.038 1.00 0.00 H new ATOM 780 N THR A 55 -7.120 5.931 -3.455 1.00 0.00 N ATOM 781 CA THR A 55 -7.110 7.317 -3.889 1.00 0.00 C ATOM 782 C THR A 55 -6.804 8.184 -2.663 1.00 0.00 C ATOM 783 O THR A 55 -7.350 7.946 -1.580 1.00 0.00 O ATOM 784 CB THR A 55 -8.396 7.738 -4.624 1.00 0.00 C ATOM 785 OG1 THR A 55 -8.845 6.727 -5.512 1.00 0.00 O ATOM 786 CG2 THR A 55 -8.146 9.002 -5.470 1.00 0.00 C ATOM 0 H THR A 55 -7.481 5.807 -2.509 1.00 0.00 H new ATOM 0 HA THR A 55 -6.333 7.456 -4.641 1.00 0.00 H new ATOM 0 HB THR A 55 -9.147 7.921 -3.855 1.00 0.00 H new ATOM 0 HG1 THR A 55 -9.663 7.026 -5.961 1.00 0.00 H new ATOM 0 HG21 THR A 55 -9.066 9.285 -5.982 1.00 0.00 H new ATOM 0 HG22 THR A 55 -7.827 9.817 -4.821 1.00 0.00 H new ATOM 0 HG23 THR A 55 -7.368 8.799 -6.206 1.00 0.00 H new ATOM 794 N LEU A 56 -5.905 9.159 -2.813 1.00 0.00 N ATOM 795 CA LEU A 56 -5.571 10.152 -1.798 1.00 0.00 C ATOM 796 C LEU A 56 -5.889 11.517 -2.395 1.00 0.00 C ATOM 797 O LEU A 56 -5.096 12.021 -3.178 1.00 0.00 O ATOM 798 CB LEU A 56 -4.078 10.036 -1.447 1.00 0.00 C ATOM 799 CG LEU A 56 -3.753 8.785 -0.611 1.00 0.00 C ATOM 800 CD1 LEU A 56 -2.260 8.480 -0.675 1.00 0.00 C ATOM 801 CD2 LEU A 56 -4.148 9.028 0.841 1.00 0.00 C ATOM 0 H LEU A 56 -5.373 9.280 -3.675 1.00 0.00 H new ATOM 0 HA LEU A 56 -6.140 10.003 -0.880 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -3.495 10.013 -2.367 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -3.770 10.925 -0.896 1.00 0.00 H new ATOM 0 HG LEU A 56 -4.310 7.939 -1.014 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -2.044 7.593 -0.079 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -1.969 8.302 -1.710 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -1.698 9.327 -0.281 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -3.918 8.143 1.434 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -3.592 9.880 1.232 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -5.217 9.235 0.898 1.00 0.00 H new ATOM 813 N SER A 57 -7.049 12.091 -2.090 1.00 0.00 N ATOM 814 CA SER A 57 -7.490 13.364 -2.659 1.00 0.00 C ATOM 815 C SER A 57 -8.388 14.039 -1.624 1.00 0.00 C ATOM 816 O SER A 57 -8.948 13.348 -0.762 1.00 0.00 O ATOM 817 CB SER A 57 -8.211 13.056 -3.983 1.00 0.00 C ATOM 818 OG SER A 57 -8.877 14.161 -4.556 1.00 0.00 O ATOM 0 H SER A 57 -7.717 11.683 -1.435 1.00 0.00 H new ATOM 0 HA SER A 57 -6.670 14.047 -2.883 1.00 0.00 H new ATOM 0 HB2 SER A 57 -7.483 12.675 -4.699 1.00 0.00 H new ATOM 0 HB3 SER A 57 -8.935 12.260 -3.811 1.00 0.00 H new ATOM 0 HG SER A 57 -9.307 13.886 -5.392 1.00 0.00 H new ATOM 824 N THR A 58 -8.583 15.357 -1.701 1.00 0.00 N ATOM 825 CA THR A 58 -9.307 16.089 -0.674 1.00 0.00 C ATOM 826 C THR A 58 -10.670 16.526 -1.209 1.00 0.00 C ATOM 827 O THR A 58 -10.970 17.719 -1.229 1.00 0.00 O ATOM 828 CB THR A 58 -8.437 17.190 -0.014 1.00 0.00 C ATOM 829 OG1 THR A 58 -8.417 18.401 -0.737 1.00 0.00 O ATOM 830 CG2 THR A 58 -6.990 16.768 0.253 1.00 0.00 C ATOM 0 H THR A 58 -8.246 15.936 -2.470 1.00 0.00 H new ATOM 0 HA THR A 58 -9.530 15.432 0.167 1.00 0.00 H new ATOM 0 HB THR A 58 -8.936 17.349 0.942 1.00 0.00 H new ATOM 0 HG1 THR A 58 -9.296 18.554 -1.143 1.00 0.00 H new ATOM 0 HG21 THR A 58 -6.450 17.594 0.715 1.00 0.00 H new ATOM 0 HG22 THR A 58 -6.979 15.908 0.922 1.00 0.00 H new ATOM 0 HG23 THR A 58 -6.509 16.501 -0.688 1.00 0.00 H new ATOM 838 N SER A 59 -11.513 15.574 -1.621 1.00 0.00 N ATOM 839 CA SER A 59 -12.867 15.870 -2.090 1.00 0.00 C ATOM 840 C SER A 59 -13.684 16.586 -1.004 1.00 0.00 C ATOM 841 O SER A 59 -14.505 17.450 -1.302 1.00 0.00 O ATOM 842 CB SER A 59 -13.542 14.562 -2.519 1.00 0.00 C ATOM 843 OG SER A 59 -14.103 14.652 -3.817 1.00 0.00 O ATOM 0 H SER A 59 -11.276 14.582 -1.638 1.00 0.00 H new ATOM 0 HA SER A 59 -12.814 16.544 -2.945 1.00 0.00 H new ATOM 0 HB2 SER A 59 -12.812 13.753 -2.496 1.00 0.00 H new ATOM 0 HB3 SER A 59 -14.324 14.306 -1.804 1.00 0.00 H new ATOM 0 HG SER A 59 -14.521 13.798 -4.052 1.00 0.00 H new ATOM 849 N THR A 60 -13.427 16.267 0.267 1.00 0.00 N ATOM 850 CA THR A 60 -14.074 16.882 1.419 1.00 0.00 C ATOM 851 C THR A 60 -13.291 18.112 1.917 1.00 0.00 C ATOM 852 O THR A 60 -13.492 18.599 3.033 1.00 0.00 O ATOM 853 CB THR A 60 -14.266 15.782 2.480 1.00 0.00 C ATOM 854 OG1 THR A 60 -13.047 15.121 2.775 1.00 0.00 O ATOM 855 CG2 THR A 60 -15.233 14.695 1.977 1.00 0.00 C ATOM 0 H THR A 60 -12.744 15.554 0.526 1.00 0.00 H new ATOM 0 HA THR A 60 -15.053 17.282 1.157 1.00 0.00 H new ATOM 0 HB THR A 60 -14.657 16.284 3.365 1.00 0.00 H new ATOM 0 HG1 THR A 60 -13.205 14.431 3.453 1.00 0.00 H new ATOM 0 HG21 THR A 60 -15.352 13.930 2.744 1.00 0.00 H new ATOM 0 HG22 THR A 60 -16.202 15.143 1.758 1.00 0.00 H new ATOM 0 HG23 THR A 60 -14.831 14.241 1.071 1.00 0.00 H new ATOM 863 N GLY A 61 -12.298 18.558 1.136 1.00 0.00 N ATOM 864 CA GLY A 61 -11.247 19.480 1.543 1.00 0.00 C ATOM 865 C GLY A 61 -10.289 18.896 2.583 1.00 0.00 C ATOM 866 O GLY A 61 -9.191 19.425 2.769 1.00 0.00 O ATOM 0 H GLY A 61 -12.208 18.269 0.162 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -10.677 19.779 0.663 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -11.704 20.383 1.949 1.00 0.00 H new ATOM 870 N GLN A 62 -10.640 17.778 3.220 1.00 0.00 N ATOM 871 CA GLN A 62 -9.816 17.110 4.177 1.00 0.00 C ATOM 872 C GLN A 62 -9.090 16.009 3.439 1.00 0.00 C ATOM 873 O GLN A 62 -9.572 15.464 2.451 1.00 0.00 O ATOM 874 CB GLN A 62 -10.762 16.533 5.224 1.00 0.00 C ATOM 875 CG GLN A 62 -10.106 16.127 6.549 1.00 0.00 C ATOM 876 CD GLN A 62 -10.114 14.628 6.797 1.00 0.00 C ATOM 877 OE1 GLN A 62 -10.000 13.848 5.739 1.00 0.00 O flip ATOM 878 NE2 GLN A 62 -10.234 14.167 7.929 1.00 0.00 N flip ATOM 0 H GLN A 62 -11.535 17.314 3.066 1.00 0.00 H new ATOM 0 HA GLN A 62 -9.086 17.761 4.657 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -11.538 17.269 5.433 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -11.257 15.659 4.800 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -9.076 16.483 6.559 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -10.623 16.625 7.369 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -10.320 14.794 8.729 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -10.247 13.157 8.069 1.00 0.00 H new ATOM 887 N ARG A 63 -7.980 15.602 4.021 1.00 0.00 N ATOM 888 CA ARG A 63 -7.132 14.503 3.581 1.00 0.00 C ATOM 889 C ARG A 63 -7.826 13.146 3.752 1.00 0.00 C ATOM 890 O ARG A 63 -7.545 12.390 4.686 1.00 0.00 O ATOM 891 CB ARG A 63 -5.770 14.641 4.269 1.00 0.00 C ATOM 892 CG ARG A 63 -5.810 14.699 5.805 1.00 0.00 C ATOM 893 CD ARG A 63 -4.499 15.257 6.372 1.00 0.00 C ATOM 894 NE ARG A 63 -4.332 16.680 6.018 1.00 0.00 N ATOM 895 CZ ARG A 63 -4.825 17.755 6.650 1.00 0.00 C ATOM 896 NH1 ARG A 63 -5.450 17.629 7.820 1.00 0.00 N ATOM 897 NH2 ARG A 63 -4.708 18.959 6.102 1.00 0.00 N ATOM 0 H ARG A 63 -7.622 16.053 4.863 1.00 0.00 H new ATOM 0 HA ARG A 63 -6.950 14.553 2.507 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -5.144 13.800 3.970 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -5.286 15.545 3.901 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -6.644 15.323 6.127 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -5.987 13.701 6.205 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -4.491 15.145 7.456 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -3.658 14.682 5.986 1.00 0.00 H new ATOM 0 HE ARG A 63 -3.771 16.870 5.188 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -5.558 16.708 8.244 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -5.821 18.454 8.292 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -4.243 19.066 5.200 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -5.083 19.777 6.583 1.00 0.00 H new ATOM 911 N HIS A 64 -8.811 12.881 2.895 1.00 0.00 N ATOM 912 CA HIS A 64 -9.543 11.624 2.829 1.00 0.00 C ATOM 913 C HIS A 64 -8.810 10.612 1.943 1.00 0.00 C ATOM 914 O HIS A 64 -8.400 10.909 0.822 1.00 0.00 O ATOM 915 CB HIS A 64 -10.991 11.843 2.343 1.00 0.00 C ATOM 916 CG HIS A 64 -12.045 11.273 3.261 1.00 0.00 C ATOM 917 ND1 HIS A 64 -12.272 11.622 4.565 1.00 0.00 N flip ATOM 918 CD2 HIS A 64 -12.983 10.323 2.920 1.00 0.00 C flip ATOM 919 CE1 HIS A 64 -13.331 10.849 5.039 1.00 0.00 C flip ATOM 920 NE2 HIS A 64 -13.725 10.080 4.014 1.00 0.00 N flip ATOM 0 H HIS A 64 -9.130 13.561 2.205 1.00 0.00 H new ATOM 0 HA HIS A 64 -9.594 11.214 3.838 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -11.166 12.913 2.228 1.00 0.00 H new ATOM 0 HB3 HIS A 64 -11.103 11.394 1.356 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -13.100 9.859 1.952 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -13.751 10.866 6.034 1.00 0.00 H new ATOM 0 HE2 HIS A 64 -14.486 9.402 4.058 1.00 0.00 H new ATOM 928 N ALA A 65 -8.676 9.392 2.451 1.00 0.00 N ATOM 929 CA ALA A 65 -8.280 8.204 1.714 1.00 0.00 C ATOM 930 C ALA A 65 -9.571 7.445 1.436 1.00 0.00 C ATOM 931 O ALA A 65 -10.261 7.035 2.369 1.00 0.00 O ATOM 932 CB ALA A 65 -7.298 7.341 2.526 1.00 0.00 C ATOM 0 H ALA A 65 -8.850 9.198 3.437 1.00 0.00 H new ATOM 0 HA ALA A 65 -7.759 8.465 0.793 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -7.022 6.460 1.946 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -6.404 7.922 2.752 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -7.772 7.028 3.457 1.00 0.00 H new ATOM 938 N SER A 66 -9.920 7.261 0.170 1.00 0.00 N ATOM 939 CA SER A 66 -10.992 6.352 -0.228 1.00 0.00 C ATOM 940 C SER A 66 -10.499 5.585 -1.444 1.00 0.00 C ATOM 941 O SER A 66 -9.617 6.067 -2.150 1.00 0.00 O ATOM 942 CB SER A 66 -12.307 7.116 -0.473 1.00 0.00 C ATOM 943 OG SER A 66 -12.093 8.451 -0.911 1.00 0.00 O ATOM 0 H SER A 66 -9.469 7.737 -0.612 1.00 0.00 H new ATOM 0 HA SER A 66 -11.228 5.643 0.565 1.00 0.00 H new ATOM 0 HB2 SER A 66 -12.898 6.584 -1.218 1.00 0.00 H new ATOM 0 HB3 SER A 66 -12.891 7.129 0.447 1.00 0.00 H new ATOM 0 HG SER A 66 -12.957 8.891 -1.054 1.00 0.00 H new ATOM 949 N GLY A 67 -11.025 4.395 -1.691 1.00 0.00 N ATOM 950 CA GLY A 67 -10.550 3.548 -2.767 1.00 0.00 C ATOM 951 C GLY A 67 -11.429 2.317 -2.855 1.00 0.00 C ATOM 952 O GLY A 67 -12.243 2.072 -1.964 1.00 0.00 O ATOM 0 H GLY A 67 -11.791 3.993 -1.151 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -10.570 4.093 -3.711 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -9.514 3.258 -2.588 1.00 0.00 H new ATOM 956 N PHE A 68 -11.267 1.538 -3.917 1.00 0.00 N ATOM 957 CA PHE A 68 -11.966 0.282 -4.100 1.00 0.00 C ATOM 958 C PHE A 68 -11.020 -0.817 -3.635 1.00 0.00 C ATOM 959 O PHE A 68 -9.906 -0.899 -4.150 1.00 0.00 O ATOM 960 CB PHE A 68 -12.291 0.075 -5.587 1.00 0.00 C ATOM 961 CG PHE A 68 -13.242 -1.079 -5.868 1.00 0.00 C ATOM 962 CD1 PHE A 68 -14.377 -1.289 -5.067 1.00 0.00 C ATOM 963 CD2 PHE A 68 -13.025 -1.922 -6.969 1.00 0.00 C ATOM 964 CE1 PHE A 68 -15.279 -2.319 -5.352 1.00 0.00 C ATOM 965 CE2 PHE A 68 -13.927 -2.962 -7.269 1.00 0.00 C ATOM 966 CZ PHE A 68 -15.056 -3.153 -6.452 1.00 0.00 C ATOM 0 H PHE A 68 -10.636 1.769 -4.684 1.00 0.00 H new ATOM 0 HA PHE A 68 -12.900 0.271 -3.538 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -12.726 0.993 -5.982 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -11.361 -0.096 -6.129 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -14.556 -0.645 -4.218 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -12.157 -1.772 -7.593 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -16.145 -2.470 -4.725 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -13.753 -3.606 -8.118 1.00 0.00 H new ATOM 0 HZ PHE A 68 -15.753 -3.947 -6.675 1.00 0.00 H new ATOM 976 N SER A 69 -11.438 -1.678 -2.713 1.00 0.00 N ATOM 977 CA SER A 69 -10.687 -2.851 -2.322 1.00 0.00 C ATOM 978 C SER A 69 -11.396 -4.094 -2.837 1.00 0.00 C ATOM 979 O SER A 69 -12.205 -4.692 -2.128 1.00 0.00 O ATOM 980 CB SER A 69 -10.471 -2.874 -0.819 1.00 0.00 C ATOM 981 OG SER A 69 -9.906 -4.116 -0.445 1.00 0.00 O ATOM 0 H SER A 69 -12.321 -1.573 -2.213 1.00 0.00 H new ATOM 0 HA SER A 69 -9.694 -2.826 -2.771 1.00 0.00 H new ATOM 0 HB2 SER A 69 -9.812 -2.058 -0.523 1.00 0.00 H new ATOM 0 HB3 SER A 69 -11.418 -2.722 -0.302 1.00 0.00 H new ATOM 0 HG SER A 69 -9.389 -4.005 0.380 1.00 0.00 H new ATOM 987 N GLY A 70 -11.040 -4.540 -4.041 1.00 0.00 N ATOM 988 CA GLY A 70 -11.153 -5.949 -4.381 1.00 0.00 C ATOM 989 C GLY A 70 -12.557 -6.285 -4.845 1.00 0.00 C ATOM 990 O GLY A 70 -12.726 -6.620 -6.017 1.00 0.00 O ATOM 0 H GLY A 70 -10.675 -3.949 -4.788 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -10.438 -6.196 -5.166 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -10.897 -6.558 -3.514 1.00 0.00 H new ATOM 994 N CYS A 71 -13.563 -6.171 -3.975 1.00 0.00 N ATOM 995 CA CYS A 71 -14.946 -6.126 -4.397 1.00 0.00 C ATOM 996 C CYS A 71 -15.725 -5.014 -3.683 1.00 0.00 C ATOM 997 O CYS A 71 -16.910 -4.837 -3.959 1.00 0.00 O ATOM 998 CB CYS A 71 -15.539 -7.506 -4.149 1.00 0.00 C ATOM 999 SG CYS A 71 -16.467 -8.152 -5.518 1.00 0.00 S ATOM 0 H CYS A 71 -13.433 -6.108 -2.965 1.00 0.00 H new ATOM 0 HA CYS A 71 -15.014 -5.881 -5.457 1.00 0.00 H new ATOM 0 HB2 CYS A 71 -14.732 -8.199 -3.911 1.00 0.00 H new ATOM 0 HB3 CYS A 71 -16.187 -7.459 -3.274 1.00 0.00 H new ATOM 1004 N ASN A 72 -15.094 -4.253 -2.776 1.00 0.00 N ATOM 1005 CA ASN A 72 -15.765 -3.414 -1.791 1.00 0.00 C ATOM 1006 C ASN A 72 -14.932 -2.150 -1.583 1.00 0.00 C ATOM 1007 O ASN A 72 -13.764 -2.235 -1.218 1.00 0.00 O ATOM 1008 CB ASN A 72 -15.926 -4.141 -0.438 1.00 0.00 C ATOM 1009 CG ASN A 72 -15.998 -5.675 -0.482 1.00 0.00 C ATOM 1010 OD1 ASN A 72 -15.174 -6.390 -1.051 1.00 0.00 O ATOM 1011 ND2 ASN A 72 -17.035 -6.244 0.086 1.00 0.00 N ATOM 0 H ASN A 72 -14.077 -4.208 -2.712 1.00 0.00 H new ATOM 0 HA ASN A 72 -16.761 -3.172 -2.163 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -15.090 -3.858 0.202 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -16.833 -3.772 0.041 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -17.144 -7.257 0.050 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -17.732 -5.673 0.564 1.00 0.00 H new ATOM 1018 N ARG A 73 -15.474 -0.963 -1.868 1.00 0.00 N ATOM 1019 CA ARG A 73 -14.775 0.296 -1.556 1.00 0.00 C ATOM 1020 C ARG A 73 -14.870 0.693 -0.078 1.00 0.00 C ATOM 1021 O ARG A 73 -15.806 0.290 0.625 1.00 0.00 O ATOM 1022 CB ARG A 73 -15.236 1.463 -2.460 1.00 0.00 C ATOM 1023 CG ARG A 73 -16.735 1.730 -2.348 1.00 0.00 C ATOM 1024 CD ARG A 73 -17.063 3.218 -2.096 1.00 0.00 C ATOM 1025 NE ARG A 73 -17.993 3.732 -3.111 1.00 0.00 N ATOM 1026 CZ ARG A 73 -19.326 3.629 -3.085 1.00 0.00 C ATOM 1027 NH1 ARG A 73 -19.958 3.305 -1.959 1.00 0.00 N ATOM 1028 NH2 ARG A 73 -20.027 3.823 -4.196 1.00 0.00 N ATOM 0 H ARG A 73 -16.385 -0.843 -2.310 1.00 0.00 H new ATOM 0 HA ARG A 73 -13.725 0.096 -1.767 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -14.688 2.366 -2.191 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -14.987 1.236 -3.497 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -17.226 1.405 -3.265 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -17.146 1.130 -1.536 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -17.501 3.335 -1.105 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -16.144 3.804 -2.110 1.00 0.00 H new ATOM 0 HE ARG A 73 -17.583 4.213 -3.911 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -19.425 3.133 -1.106 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -20.975 3.229 -1.949 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -19.549 4.050 -5.068 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -21.044 3.745 -4.178 1.00 0.00 H new ATOM 1042 N TYR A 74 -13.948 1.572 0.321 1.00 0.00 N ATOM 1043 CA TYR A 74 -13.719 2.104 1.657 1.00 0.00 C ATOM 1044 C TYR A 74 -13.543 3.628 1.648 1.00 0.00 C ATOM 1045 O TYR A 74 -13.368 4.225 0.580 1.00 0.00 O ATOM 1046 CB TYR A 74 -12.474 1.489 2.253 1.00 0.00 C ATOM 1047 CG TYR A 74 -11.158 1.782 1.564 1.00 0.00 C ATOM 1048 CD1 TYR A 74 -10.742 0.981 0.486 1.00 0.00 C ATOM 1049 CD2 TYR A 74 -10.324 2.813 2.046 1.00 0.00 C ATOM 1050 CE1 TYR A 74 -9.495 1.201 -0.109 1.00 0.00 C ATOM 1051 CE2 TYR A 74 -9.068 3.037 1.459 1.00 0.00 C ATOM 1052 CZ TYR A 74 -8.655 2.222 0.384 1.00 0.00 C ATOM 1053 OH TYR A 74 -7.426 2.405 -0.152 1.00 0.00 O ATOM 0 H TYR A 74 -13.284 1.962 -0.348 1.00 0.00 H new ATOM 0 HA TYR A 74 -14.598 1.855 2.252 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -12.395 1.823 3.288 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -12.610 0.408 2.276 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -11.385 0.196 0.117 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -10.652 3.431 2.868 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -9.177 0.592 -0.942 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -8.426 3.824 1.826 1.00 0.00 H new ATOM 0 HH TYR A 74 -7.366 1.925 -1.004 1.00 0.00 H new ATOM 1063 N MET A 75 -13.524 4.252 2.834 1.00 0.00 N ATOM 1064 CA MET A 75 -13.229 5.666 3.046 1.00 0.00 C ATOM 1065 C MET A 75 -12.660 5.921 4.452 1.00 0.00 C ATOM 1066 O MET A 75 -12.777 5.073 5.337 1.00 0.00 O ATOM 1067 CB MET A 75 -14.509 6.485 2.811 1.00 0.00 C ATOM 1068 CG MET A 75 -15.619 6.177 3.838 1.00 0.00 C ATOM 1069 SD MET A 75 -17.245 5.751 3.155 1.00 0.00 S ATOM 1070 CE MET A 75 -16.832 4.171 2.367 1.00 0.00 C ATOM 0 H MET A 75 -13.723 3.760 3.705 1.00 0.00 H new ATOM 0 HA MET A 75 -12.463 5.977 2.336 1.00 0.00 H new ATOM 0 HB2 MET A 75 -14.267 7.547 2.853 1.00 0.00 H new ATOM 0 HB3 MET A 75 -14.884 6.283 1.808 1.00 0.00 H new ATOM 0 HG2 MET A 75 -15.285 5.352 4.467 1.00 0.00 H new ATOM 0 HG3 MET A 75 -15.736 7.045 4.487 1.00 0.00 H new ATOM 0 HE1 MET A 75 -17.736 3.573 2.256 1.00 0.00 H new ATOM 0 HE2 MET A 75 -16.397 4.357 1.385 1.00 0.00 H new ATOM 0 HE3 MET A 75 -16.114 3.632 2.986 1.00 0.00 H new ATOM 1080 N GLY A 76 -12.100 7.112 4.680 1.00 0.00 N ATOM 1081 CA GLY A 76 -11.626 7.595 5.971 1.00 0.00 C ATOM 1082 C GLY A 76 -10.499 8.611 5.775 1.00 0.00 C ATOM 1083 O GLY A 76 -10.328 9.130 4.675 1.00 0.00 O ATOM 0 H GLY A 76 -11.960 7.793 3.934 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -12.448 8.055 6.519 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -11.270 6.758 6.572 1.00 0.00 H new ATOM 1087 N SER A 77 -9.724 8.918 6.814 1.00 0.00 N ATOM 1088 CA SER A 77 -8.841 10.077 6.896 1.00 0.00 C ATOM 1089 C SER A 77 -7.436 9.630 7.280 1.00 0.00 C ATOM 1090 O SER A 77 -7.278 8.611 7.958 1.00 0.00 O ATOM 1091 CB SER A 77 -9.383 11.040 7.960 1.00 0.00 C ATOM 1092 OG SER A 77 -10.766 11.269 7.767 1.00 0.00 O ATOM 0 H SER A 77 -9.694 8.342 7.655 1.00 0.00 H new ATOM 0 HA SER A 77 -8.802 10.577 5.928 1.00 0.00 H new ATOM 0 HB2 SER A 77 -9.213 10.626 8.954 1.00 0.00 H new ATOM 0 HB3 SER A 77 -8.842 11.985 7.912 1.00 0.00 H new ATOM 0 HG SER A 77 -10.956 11.334 6.808 1.00 0.00 H new ATOM 1098 N TYR A 78 -6.417 10.412 6.926 1.00 0.00 N ATOM 1099 CA TYR A 78 -5.023 10.037 7.143 1.00 0.00 C ATOM 1100 C TYR A 78 -4.168 11.213 7.627 1.00 0.00 C ATOM 1101 O TYR A 78 -4.672 12.315 7.848 1.00 0.00 O ATOM 1102 CB TYR A 78 -4.489 9.398 5.858 1.00 0.00 C ATOM 1103 CG TYR A 78 -4.433 10.333 4.661 1.00 0.00 C ATOM 1104 CD1 TYR A 78 -3.296 11.131 4.434 1.00 0.00 C ATOM 1105 CD2 TYR A 78 -5.512 10.399 3.763 1.00 0.00 C ATOM 1106 CE1 TYR A 78 -3.227 11.976 3.312 1.00 0.00 C ATOM 1107 CE2 TYR A 78 -5.455 11.253 2.646 1.00 0.00 C ATOM 1108 CZ TYR A 78 -4.310 12.041 2.410 1.00 0.00 C ATOM 1109 OH TYR A 78 -4.249 12.869 1.335 1.00 0.00 O ATOM 0 H TYR A 78 -6.536 11.322 6.481 1.00 0.00 H new ATOM 0 HA TYR A 78 -4.965 9.307 7.951 1.00 0.00 H new ATOM 0 HB2 TYR A 78 -3.487 9.013 6.049 1.00 0.00 H new ATOM 0 HB3 TYR A 78 -5.116 8.543 5.605 1.00 0.00 H new ATOM 0 HD1 TYR A 78 -2.469 11.094 5.128 1.00 0.00 H new ATOM 0 HD2 TYR A 78 -6.389 9.791 3.931 1.00 0.00 H new ATOM 0 HE1 TYR A 78 -2.345 12.575 3.141 1.00 0.00 H new ATOM 0 HE2 TYR A 78 -6.293 11.305 1.966 1.00 0.00 H new ATOM 0 HH TYR A 78 -5.076 12.792 0.815 1.00 0.00 H new ATOM 1119 N ALA A 79 -2.878 10.973 7.866 1.00 0.00 N ATOM 1120 CA ALA A 79 -1.903 11.929 8.357 1.00 0.00 C ATOM 1121 C ALA A 79 -0.530 11.602 7.778 1.00 0.00 C ATOM 1122 O ALA A 79 -0.195 10.436 7.562 1.00 0.00 O ATOM 1123 CB ALA A 79 -1.840 11.844 9.882 1.00 0.00 C ATOM 0 H ALA A 79 -2.469 10.051 7.711 1.00 0.00 H new ATOM 0 HA ALA A 79 -2.195 12.935 8.054 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -1.109 12.560 10.256 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -2.820 12.074 10.300 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -1.546 10.837 10.178 1.00 0.00 H new ATOM 1129 N LEU A 80 0.270 12.647 7.569 1.00 0.00 N ATOM 1130 CA LEU A 80 1.614 12.629 7.019 1.00 0.00 C ATOM 1131 C LEU A 80 2.542 13.151 8.095 1.00 0.00 C ATOM 1132 O LEU A 80 2.563 14.349 8.369 1.00 0.00 O ATOM 1133 CB LEU A 80 1.659 13.562 5.804 1.00 0.00 C ATOM 1134 CG LEU A 80 1.307 12.912 4.462 1.00 0.00 C ATOM 1135 CD1 LEU A 80 0.198 11.867 4.517 1.00 0.00 C ATOM 1136 CD2 LEU A 80 0.923 13.980 3.440 1.00 0.00 C ATOM 0 H LEU A 80 -0.031 13.594 7.798 1.00 0.00 H new ATOM 0 HA LEU A 80 1.908 11.626 6.711 1.00 0.00 H new ATOM 0 HB2 LEU A 80 0.973 14.391 5.978 1.00 0.00 H new ATOM 0 HB3 LEU A 80 2.660 13.987 5.731 1.00 0.00 H new ATOM 0 HG LEU A 80 2.213 12.382 4.168 1.00 0.00 H new ATOM 0 HD11 LEU A 80 0.025 11.468 3.518 1.00 0.00 H new ATOM 0 HD12 LEU A 80 0.493 11.058 5.185 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -0.718 12.327 4.888 1.00 0.00 H new ATOM 0 HD21 LEU A 80 0.675 13.504 2.491 1.00 0.00 H new ATOM 0 HD22 LEU A 80 0.059 14.537 3.803 1.00 0.00 H new ATOM 0 HD23 LEU A 80 1.760 14.663 3.295 1.00 0.00 H new ATOM 1148 N LYS A 81 3.272 12.256 8.737 1.00 0.00 N ATOM 1149 CA LYS A 81 4.387 12.580 9.636 1.00 0.00 C ATOM 1150 C LYS A 81 5.355 11.405 9.650 1.00 0.00 C ATOM 1151 O LYS A 81 5.113 10.460 8.908 1.00 0.00 O ATOM 1152 CB LYS A 81 3.869 12.917 11.035 1.00 0.00 C ATOM 1153 CG LYS A 81 3.166 11.734 11.712 1.00 0.00 C ATOM 1154 CD LYS A 81 1.656 11.929 11.781 1.00 0.00 C ATOM 1155 CE LYS A 81 1.320 12.825 12.978 1.00 0.00 C ATOM 1156 NZ LYS A 81 0.008 12.499 13.567 1.00 0.00 N ATOM 0 H LYS A 81 3.108 11.253 8.651 1.00 0.00 H new ATOM 0 HA LYS A 81 4.916 13.464 9.279 1.00 0.00 H new ATOM 0 HB2 LYS A 81 4.703 13.242 11.657 1.00 0.00 H new ATOM 0 HB3 LYS A 81 3.176 13.755 10.968 1.00 0.00 H new ATOM 0 HG2 LYS A 81 3.388 10.818 11.164 1.00 0.00 H new ATOM 0 HG3 LYS A 81 3.561 11.606 12.720 1.00 0.00 H new ATOM 0 HD2 LYS A 81 1.293 12.382 10.859 1.00 0.00 H new ATOM 0 HD3 LYS A 81 1.157 10.965 11.881 1.00 0.00 H new ATOM 0 HE2 LYS A 81 2.094 12.718 13.738 1.00 0.00 H new ATOM 0 HE3 LYS A 81 1.325 13.868 12.662 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -0.177 13.130 14.373 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -0.735 12.625 12.851 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 0.010 11.512 13.894 1.00 0.00 H new ATOM 1170 N ASP A 82 6.405 11.413 10.469 1.00 0.00 N ATOM 1171 CA ASP A 82 7.223 10.249 10.809 1.00 0.00 C ATOM 1172 C ASP A 82 7.793 9.468 9.608 1.00 0.00 C ATOM 1173 O ASP A 82 8.199 8.311 9.745 1.00 0.00 O ATOM 1174 CB ASP A 82 6.406 9.296 11.700 1.00 0.00 C ATOM 1175 CG ASP A 82 5.748 9.835 12.963 1.00 0.00 C ATOM 1176 OD1 ASP A 82 5.998 10.982 13.388 1.00 0.00 O ATOM 1177 OD2 ASP A 82 4.913 9.078 13.514 1.00 0.00 O ATOM 0 H ASP A 82 6.722 12.264 10.933 1.00 0.00 H new ATOM 0 HA ASP A 82 8.093 10.647 11.331 1.00 0.00 H new ATOM 0 HB2 ASP A 82 5.620 8.862 11.081 1.00 0.00 H new ATOM 0 HB3 ASP A 82 7.065 8.480 11.997 1.00 0.00 H new ATOM 1182 N GLY A 83 7.803 10.041 8.404 1.00 0.00 N ATOM 1183 CA GLY A 83 8.093 9.322 7.174 1.00 0.00 C ATOM 1184 C GLY A 83 7.067 8.249 6.817 1.00 0.00 C ATOM 1185 O GLY A 83 7.363 7.403 5.972 1.00 0.00 O ATOM 0 H GLY A 83 7.607 11.031 8.259 1.00 0.00 H new ATOM 0 HA2 GLY A 83 8.153 10.038 6.354 1.00 0.00 H new ATOM 0 HA3 GLY A 83 9.074 8.855 7.262 1.00 0.00 H new ATOM 1189 N LYS A 84 5.885 8.230 7.439 1.00 0.00 N ATOM 1190 CA LYS A 84 4.846 7.233 7.223 1.00 0.00 C ATOM 1191 C LYS A 84 3.485 7.887 7.030 1.00 0.00 C ATOM 1192 O LYS A 84 3.270 9.051 7.372 1.00 0.00 O ATOM 1193 CB LYS A 84 4.877 6.198 8.355 1.00 0.00 C ATOM 1194 CG LYS A 84 4.349 6.670 9.712 1.00 0.00 C ATOM 1195 CD LYS A 84 5.228 6.090 10.830 1.00 0.00 C ATOM 1196 CE LYS A 84 4.591 6.233 12.215 1.00 0.00 C ATOM 1197 NZ LYS A 84 5.604 6.169 13.289 1.00 0.00 N ATOM 0 H LYS A 84 5.621 8.934 8.129 1.00 0.00 H new ATOM 0 HA LYS A 84 5.042 6.696 6.295 1.00 0.00 H new ATOM 0 HB2 LYS A 84 4.295 5.331 8.043 1.00 0.00 H new ATOM 0 HB3 LYS A 84 5.906 5.862 8.485 1.00 0.00 H new ATOM 0 HG2 LYS A 84 4.354 7.759 9.758 1.00 0.00 H new ATOM 0 HG3 LYS A 84 3.315 6.350 9.844 1.00 0.00 H new ATOM 0 HD2 LYS A 84 5.417 5.036 10.628 1.00 0.00 H new ATOM 0 HD3 LYS A 84 6.195 6.594 10.825 1.00 0.00 H new ATOM 0 HE2 LYS A 84 4.057 7.181 12.274 1.00 0.00 H new ATOM 0 HE3 LYS A 84 3.855 5.443 12.361 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 5.294 5.495 14.018 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 6.512 5.855 12.891 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 5.719 7.111 13.714 1.00 0.00 H new ATOM 1211 N LEU A 85 2.576 7.120 6.443 1.00 0.00 N ATOM 1212 CA LEU A 85 1.203 7.518 6.161 1.00 0.00 C ATOM 1213 C LEU A 85 0.320 6.764 7.138 1.00 0.00 C ATOM 1214 O LEU A 85 0.096 5.569 6.953 1.00 0.00 O ATOM 1215 CB LEU A 85 0.855 7.209 4.701 1.00 0.00 C ATOM 1216 CG LEU A 85 -0.650 7.192 4.388 1.00 0.00 C ATOM 1217 CD1 LEU A 85 -1.282 8.565 4.545 1.00 0.00 C ATOM 1218 CD2 LEU A 85 -0.849 6.732 2.955 1.00 0.00 C ATOM 0 H LEU A 85 2.782 6.168 6.139 1.00 0.00 H new ATOM 0 HA LEU A 85 1.056 8.590 6.288 1.00 0.00 H new ATOM 0 HB2 LEU A 85 1.336 7.950 4.063 1.00 0.00 H new ATOM 0 HB3 LEU A 85 1.278 6.239 4.439 1.00 0.00 H new ATOM 0 HG LEU A 85 -1.129 6.514 5.094 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -2.345 8.505 4.314 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -1.153 8.910 5.571 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -0.802 9.267 3.863 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -1.914 6.716 2.722 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -0.340 7.418 2.278 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -0.436 5.730 2.834 1.00 0.00 H new ATOM 1230 N SER A 86 -0.143 7.449 8.173 1.00 0.00 N ATOM 1231 CA SER A 86 -0.982 6.867 9.212 1.00 0.00 C ATOM 1232 C SER A 86 -2.436 7.182 8.910 1.00 0.00 C ATOM 1233 O SER A 86 -2.797 8.321 8.610 1.00 0.00 O ATOM 1234 CB SER A 86 -0.591 7.369 10.605 1.00 0.00 C ATOM 1235 OG SER A 86 -0.088 8.697 10.614 1.00 0.00 O ATOM 0 H SER A 86 0.056 8.439 8.317 1.00 0.00 H new ATOM 0 HA SER A 86 -0.836 5.787 9.215 1.00 0.00 H new ATOM 0 HB2 SER A 86 -1.462 7.316 11.258 1.00 0.00 H new ATOM 0 HB3 SER A 86 0.163 6.702 11.023 1.00 0.00 H new ATOM 0 HG SER A 86 0.140 8.954 11.532 1.00 0.00 H new ATOM 1241 N PHE A 87 -3.282 6.169 8.990 1.00 0.00 N ATOM 1242 CA PHE A 87 -4.701 6.249 8.701 1.00 0.00 C ATOM 1243 C PHE A 87 -5.489 6.453 10.001 1.00 0.00 C ATOM 1244 O PHE A 87 -4.915 6.637 11.078 1.00 0.00 O ATOM 1245 CB PHE A 87 -5.112 4.992 7.922 1.00 0.00 C ATOM 1246 CG PHE A 87 -4.461 4.860 6.553 1.00 0.00 C ATOM 1247 CD1 PHE A 87 -3.193 4.259 6.401 1.00 0.00 C ATOM 1248 CD2 PHE A 87 -5.145 5.323 5.414 1.00 0.00 C ATOM 1249 CE1 PHE A 87 -2.620 4.132 5.121 1.00 0.00 C ATOM 1250 CE2 PHE A 87 -4.608 5.123 4.136 1.00 0.00 C ATOM 1251 CZ PHE A 87 -3.360 4.506 3.988 1.00 0.00 C ATOM 0 H PHE A 87 -2.986 5.233 9.269 1.00 0.00 H new ATOM 0 HA PHE A 87 -4.930 7.111 8.074 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -4.862 4.113 8.516 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -6.195 4.995 7.797 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -2.661 3.896 7.268 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -6.089 5.835 5.526 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -1.616 3.749 5.011 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -5.157 5.445 3.264 1.00 0.00 H new ATOM 0 HZ PHE A 87 -2.966 4.317 3.000 1.00 0.00 H new ATOM 1261 N GLY A 88 -6.815 6.478 9.897 1.00 0.00 N ATOM 1262 CA GLY A 88 -7.748 6.641 11.000 1.00 0.00 C ATOM 1263 C GLY A 88 -8.720 5.473 11.071 1.00 0.00 C ATOM 1264 O GLY A 88 -8.403 4.385 10.587 1.00 0.00 O ATOM 0 H GLY A 88 -7.287 6.380 8.998 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -7.198 6.718 11.938 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -8.301 7.572 10.878 1.00 0.00 H new ATOM 1268 N THR A 89 -9.905 5.721 11.632 1.00 0.00 N ATOM 1269 CA THR A 89 -11.064 4.842 11.543 1.00 0.00 C ATOM 1270 C THR A 89 -11.487 4.774 10.071 1.00 0.00 C ATOM 1271 O THR A 89 -12.207 5.618 9.536 1.00 0.00 O ATOM 1272 CB THR A 89 -12.143 5.334 12.527 1.00 0.00 C ATOM 1273 OG1 THR A 89 -13.192 4.400 12.698 1.00 0.00 O ATOM 1274 CG2 THR A 89 -12.753 6.700 12.181 1.00 0.00 C ATOM 0 H THR A 89 -10.086 6.565 12.176 1.00 0.00 H new ATOM 0 HA THR A 89 -10.853 3.817 11.847 1.00 0.00 H new ATOM 0 HB THR A 89 -11.592 5.447 13.461 1.00 0.00 H new ATOM 0 HG1 THR A 89 -13.849 4.758 13.332 1.00 0.00 H new ATOM 0 HG21 THR A 89 -13.502 6.964 12.928 1.00 0.00 H new ATOM 0 HG22 THR A 89 -11.968 7.457 12.170 1.00 0.00 H new ATOM 0 HG23 THR A 89 -13.222 6.650 11.199 1.00 0.00 H new ATOM 1282 N LEU A 90 -10.855 3.878 9.328 1.00 0.00 N ATOM 1283 CA LEU A 90 -11.251 3.511 7.985 1.00 0.00 C ATOM 1284 C LEU A 90 -12.444 2.551 8.074 1.00 0.00 C ATOM 1285 O LEU A 90 -12.870 2.169 9.171 1.00 0.00 O ATOM 1286 CB LEU A 90 -10.053 2.861 7.277 1.00 0.00 C ATOM 1287 CG LEU A 90 -8.750 3.666 7.173 1.00 0.00 C ATOM 1288 CD1 LEU A 90 -7.643 2.698 6.759 1.00 0.00 C ATOM 1289 CD2 LEU A 90 -8.863 4.796 6.147 1.00 0.00 C ATOM 0 H LEU A 90 -10.030 3.375 9.656 1.00 0.00 H new ATOM 0 HA LEU A 90 -11.554 4.385 7.408 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -9.828 1.927 7.792 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -10.365 2.600 6.266 1.00 0.00 H new ATOM 0 HG LEU A 90 -8.532 4.128 8.136 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -6.700 3.238 6.675 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -7.546 1.913 7.509 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -7.892 2.251 5.796 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -7.921 5.343 6.102 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -9.086 4.376 5.166 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -9.663 5.475 6.441 1.00 0.00 H new ATOM 1301 N GLY A 91 -12.955 2.143 6.921 1.00 0.00 N ATOM 1302 CA GLY A 91 -13.965 1.117 6.755 1.00 0.00 C ATOM 1303 C GLY A 91 -14.844 1.461 5.561 1.00 0.00 C ATOM 1304 O GLY A 91 -14.528 2.373 4.786 1.00 0.00 O ATOM 0 H GLY A 91 -12.658 2.543 6.031 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -13.492 0.147 6.605 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -14.572 1.039 7.657 1.00 0.00 H new ATOM 1308 N GLY A 92 -15.928 0.716 5.358 1.00 0.00 N ATOM 1309 CA GLY A 92 -16.694 0.870 4.138 1.00 0.00 C ATOM 1310 C GLY A 92 -17.912 -0.031 4.042 1.00 0.00 C ATOM 1311 O GLY A 92 -18.848 0.054 4.842 1.00 0.00 O ATOM 0 H GLY A 92 -16.285 0.017 6.010 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -17.018 1.908 4.056 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -16.042 0.671 3.287 1.00 0.00 H new ATOM 1315 N THR A 93 -17.968 -0.796 2.960 1.00 0.00 N ATOM 1316 CA THR A 93 -19.159 -1.504 2.516 1.00 0.00 C ATOM 1317 C THR A 93 -19.059 -2.990 2.877 1.00 0.00 C ATOM 1318 O THR A 93 -18.017 -3.480 3.296 1.00 0.00 O ATOM 1319 CB THR A 93 -19.378 -1.230 1.014 1.00 0.00 C ATOM 1320 OG1 THR A 93 -18.198 -1.421 0.251 1.00 0.00 O ATOM 1321 CG2 THR A 93 -19.879 0.199 0.771 1.00 0.00 C ATOM 0 H THR A 93 -17.163 -0.945 2.351 1.00 0.00 H new ATOM 0 HA THR A 93 -20.046 -1.139 3.034 1.00 0.00 H new ATOM 0 HB THR A 93 -20.130 -1.950 0.692 1.00 0.00 H new ATOM 0 HG1 THR A 93 -17.567 -0.694 0.437 1.00 0.00 H new ATOM 0 HG21 THR A 93 -20.023 0.357 -0.298 1.00 0.00 H new ATOM 0 HG22 THR A 93 -20.826 0.346 1.290 1.00 0.00 H new ATOM 0 HG23 THR A 93 -19.145 0.911 1.148 1.00 0.00 H new ATOM 1329 N ARG A 94 -20.158 -3.730 2.727 1.00 0.00 N ATOM 1330 CA ARG A 94 -20.267 -5.135 3.124 1.00 0.00 C ATOM 1331 C ARG A 94 -20.790 -5.978 1.961 1.00 0.00 C ATOM 1332 O ARG A 94 -21.706 -6.787 2.108 1.00 0.00 O ATOM 1333 CB ARG A 94 -20.913 -5.310 4.488 1.00 0.00 C ATOM 1334 CG ARG A 94 -22.100 -4.430 4.770 1.00 0.00 C ATOM 1335 CD ARG A 94 -23.268 -4.759 3.843 1.00 0.00 C ATOM 1336 NE ARG A 94 -23.908 -6.052 4.135 1.00 0.00 N ATOM 1337 CZ ARG A 94 -25.066 -6.213 4.786 1.00 0.00 C ATOM 1338 NH1 ARG A 94 -25.671 -5.183 5.374 1.00 0.00 N ATOM 1339 NH2 ARG A 94 -25.622 -7.408 4.846 1.00 0.00 N ATOM 0 H ARG A 94 -21.016 -3.362 2.317 1.00 0.00 H new ATOM 0 HA ARG A 94 -19.279 -5.553 3.315 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -21.223 -6.350 4.591 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -20.158 -5.125 5.252 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -22.410 -4.555 5.807 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -21.818 -3.384 4.646 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -24.015 -3.969 3.919 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -22.913 -4.764 2.813 1.00 0.00 H new ATOM 0 HE ARG A 94 -23.430 -6.894 3.815 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -25.252 -4.254 5.332 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -26.553 -5.323 5.866 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -25.169 -8.204 4.397 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -26.505 -7.536 5.341 1.00 0.00 H new ATOM 1353 N MET A 95 -20.298 -5.686 0.754 1.00 0.00 N ATOM 1354 CA MET A 95 -20.747 -6.353 -0.464 1.00 0.00 C ATOM 1355 C MET A 95 -20.504 -7.859 -0.336 1.00 0.00 C ATOM 1356 O MET A 95 -19.481 -8.276 0.210 1.00 0.00 O ATOM 1357 CB MET A 95 -20.055 -5.775 -1.713 1.00 0.00 C ATOM 1358 CG MET A 95 -19.979 -4.238 -1.731 1.00 0.00 C ATOM 1359 SD MET A 95 -19.728 -3.526 -3.381 1.00 0.00 S ATOM 1360 CE MET A 95 -19.268 -1.823 -2.947 1.00 0.00 C ATOM 0 H MET A 95 -19.578 -4.981 0.597 1.00 0.00 H new ATOM 0 HA MET A 95 -21.815 -6.176 -0.589 1.00 0.00 H new ATOM 0 HB2 MET A 95 -19.045 -6.179 -1.776 1.00 0.00 H new ATOM 0 HB3 MET A 95 -20.589 -6.113 -2.601 1.00 0.00 H new ATOM 0 HG2 MET A 95 -20.900 -3.835 -1.310 1.00 0.00 H new ATOM 0 HG3 MET A 95 -19.164 -3.918 -1.081 1.00 0.00 H new ATOM 0 HE1 MET A 95 -19.808 -1.126 -3.588 1.00 0.00 H new ATOM 0 HE2 MET A 95 -19.524 -1.631 -1.905 1.00 0.00 H new ATOM 0 HE3 MET A 95 -18.195 -1.689 -3.088 1.00 0.00 H new ATOM 1370 N ALA A 96 -21.446 -8.663 -0.832 1.00 0.00 N ATOM 1371 CA ALA A 96 -21.287 -10.102 -0.971 1.00 0.00 C ATOM 1372 C ALA A 96 -20.725 -10.356 -2.355 1.00 0.00 C ATOM 1373 O ALA A 96 -21.330 -9.917 -3.336 1.00 0.00 O ATOM 1374 CB ALA A 96 -22.633 -10.815 -0.861 1.00 0.00 C ATOM 0 H ALA A 96 -22.353 -8.322 -1.152 1.00 0.00 H new ATOM 0 HA ALA A 96 -20.633 -10.477 -0.184 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -22.485 -11.890 -0.968 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -23.077 -10.605 0.112 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -23.298 -10.460 -1.648 1.00 0.00 H new ATOM 1380 N CYS A 97 -19.601 -11.058 -2.409 1.00 0.00 N ATOM 1381 CA CYS A 97 -18.940 -11.482 -3.628 1.00 0.00 C ATOM 1382 C CYS A 97 -18.477 -12.928 -3.473 1.00 0.00 C ATOM 1383 O CYS A 97 -18.513 -13.489 -2.371 1.00 0.00 O ATOM 1384 CB CYS A 97 -17.783 -10.521 -3.895 1.00 0.00 C ATOM 1385 SG CYS A 97 -18.355 -8.878 -4.386 1.00 0.00 S ATOM 0 H CYS A 97 -19.108 -11.358 -1.568 1.00 0.00 H new ATOM 0 HA CYS A 97 -19.615 -11.453 -4.484 1.00 0.00 H new ATOM 0 HB2 CYS A 97 -17.169 -10.437 -2.998 1.00 0.00 H new ATOM 0 HB3 CYS A 97 -17.147 -10.931 -4.679 1.00 0.00 H new ATOM 1390 N MET A 98 -18.049 -13.554 -4.571 1.00 0.00 N ATOM 1391 CA MET A 98 -17.629 -14.959 -4.589 1.00 0.00 C ATOM 1392 C MET A 98 -16.237 -15.087 -5.204 1.00 0.00 C ATOM 1393 O MET A 98 -15.867 -16.131 -5.747 1.00 0.00 O ATOM 1394 CB MET A 98 -18.673 -15.846 -5.300 1.00 0.00 C ATOM 1395 CG MET A 98 -20.127 -15.408 -5.093 1.00 0.00 C ATOM 1396 SD MET A 98 -21.327 -16.739 -4.872 1.00 0.00 S ATOM 1397 CE MET A 98 -21.122 -16.920 -3.083 1.00 0.00 C ATOM 0 H MET A 98 -17.983 -13.097 -5.481 1.00 0.00 H new ATOM 0 HA MET A 98 -17.567 -15.320 -3.562 1.00 0.00 H new ATOM 0 HB2 MET A 98 -18.458 -15.853 -6.369 1.00 0.00 H new ATOM 0 HB3 MET A 98 -18.562 -16.871 -4.946 1.00 0.00 H new ATOM 0 HG2 MET A 98 -20.169 -14.758 -4.219 1.00 0.00 H new ATOM 0 HG3 MET A 98 -20.432 -14.809 -5.951 1.00 0.00 H new ATOM 0 HE1 MET A 98 -21.783 -17.707 -2.719 1.00 0.00 H new ATOM 0 HE2 MET A 98 -20.088 -17.182 -2.860 1.00 0.00 H new ATOM 0 HE3 MET A 98 -21.372 -15.980 -2.591 1.00 0.00 H new ATOM 1407 N THR A 99 -15.462 -14.007 -5.155 1.00 0.00 N ATOM 1408 CA THR A 99 -14.221 -13.875 -5.894 1.00 0.00 C ATOM 1409 C THR A 99 -13.066 -14.119 -4.924 1.00 0.00 C ATOM 1410 O THR A 99 -13.234 -13.943 -3.710 1.00 0.00 O ATOM 1411 CB THR A 99 -14.149 -12.486 -6.558 1.00 0.00 C ATOM 1412 OG1 THR A 99 -14.042 -11.463 -5.595 1.00 0.00 O ATOM 1413 CG2 THR A 99 -15.388 -12.177 -7.397 1.00 0.00 C ATOM 0 H THR A 99 -15.687 -13.188 -4.590 1.00 0.00 H new ATOM 0 HA THR A 99 -14.161 -14.608 -6.698 1.00 0.00 H new ATOM 0 HB THR A 99 -13.266 -12.517 -7.196 1.00 0.00 H new ATOM 0 HG1 THR A 99 -13.996 -10.594 -6.045 1.00 0.00 H new ATOM 0 HG21 THR A 99 -15.288 -11.188 -7.843 1.00 0.00 H new ATOM 0 HG22 THR A 99 -15.488 -12.922 -8.186 1.00 0.00 H new ATOM 0 HG23 THR A 99 -16.273 -12.200 -6.761 1.00 0.00 H new ATOM 1421 N PRO A 100 -11.871 -14.476 -5.411 1.00 0.00 N ATOM 1422 CA PRO A 100 -10.702 -14.542 -4.552 1.00 0.00 C ATOM 1423 C PRO A 100 -10.175 -13.153 -4.187 1.00 0.00 C ATOM 1424 O PRO A 100 -9.384 -13.038 -3.256 1.00 0.00 O ATOM 1425 CB PRO A 100 -9.688 -15.355 -5.351 1.00 0.00 C ATOM 1426 CG PRO A 100 -10.024 -15.023 -6.806 1.00 0.00 C ATOM 1427 CD PRO A 100 -11.540 -14.835 -6.784 1.00 0.00 C ATOM 0 HA PRO A 100 -10.926 -15.003 -3.590 1.00 0.00 H new ATOM 0 HB2 PRO A 100 -8.664 -15.075 -5.102 1.00 0.00 H new ATOM 0 HB3 PRO A 100 -9.784 -16.422 -5.151 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -9.512 -14.121 -7.141 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -9.728 -15.827 -7.480 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -11.848 -14.053 -7.479 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -12.053 -15.749 -7.085 1.00 0.00 H new ATOM 1435 N GLY A 101 -10.635 -12.090 -4.843 1.00 0.00 N ATOM 1436 CA GLY A 101 -10.341 -10.718 -4.449 1.00 0.00 C ATOM 1437 C GLY A 101 -11.388 -10.113 -3.521 1.00 0.00 C ATOM 1438 O GLY A 101 -11.223 -8.959 -3.151 1.00 0.00 O ATOM 0 H GLY A 101 -11.228 -12.160 -5.670 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -9.370 -10.691 -3.955 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -10.260 -10.101 -5.344 1.00 0.00 H new ATOM 1442 N GLY A 102 -12.453 -10.829 -3.151 1.00 0.00 N ATOM 1443 CA GLY A 102 -13.535 -10.247 -2.373 1.00 0.00 C ATOM 1444 C GLY A 102 -13.310 -10.399 -0.873 1.00 0.00 C ATOM 1445 O GLY A 102 -13.510 -9.448 -0.123 1.00 0.00 O ATOM 0 H GLY A 102 -12.584 -11.814 -3.381 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -13.630 -9.189 -2.619 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -14.476 -10.724 -2.648 1.00 0.00 H new ATOM 1449 N GLN A 103 -12.912 -11.586 -0.397 1.00 0.00 N ATOM 1450 CA GLN A 103 -12.804 -11.783 1.060 1.00 0.00 C ATOM 1451 C GLN A 103 -11.587 -11.055 1.643 1.00 0.00 C ATOM 1452 O GLN A 103 -11.530 -10.797 2.847 1.00 0.00 O ATOM 1453 CB GLN A 103 -12.700 -13.251 1.435 1.00 0.00 C ATOM 1454 CG GLN A 103 -13.764 -14.127 0.774 1.00 0.00 C ATOM 1455 CD GLN A 103 -13.570 -15.555 1.248 1.00 0.00 C ATOM 1456 OE1 GLN A 103 -12.826 -16.332 0.654 1.00 0.00 O ATOM 1457 NE2 GLN A 103 -14.150 -15.910 2.372 1.00 0.00 N ATOM 0 H GLN A 103 -12.668 -12.395 -0.968 1.00 0.00 H new ATOM 0 HA GLN A 103 -13.720 -11.367 1.479 1.00 0.00 H new ATOM 0 HB2 GLN A 103 -11.713 -13.620 1.156 1.00 0.00 H new ATOM 0 HB3 GLN A 103 -12.782 -13.348 2.518 1.00 0.00 H new ATOM 0 HG2 GLN A 103 -14.762 -13.773 1.034 1.00 0.00 H new ATOM 0 HG3 GLN A 103 -13.679 -14.073 -0.311 1.00 0.00 H new ATOM 0 HE21 GLN A 103 -14.766 -15.257 2.857 1.00 0.00 H new ATOM 0 HE22 GLN A 103 -13.985 -16.839 2.760 1.00 0.00 H new ATOM 1466 N ILE A 104 -10.577 -10.762 0.817 1.00 0.00 N ATOM 1467 CA ILE A 104 -9.331 -10.131 1.255 1.00 0.00 C ATOM 1468 C ILE A 104 -9.558 -8.720 1.822 1.00 0.00 C ATOM 1469 O ILE A 104 -8.717 -8.189 2.549 1.00 0.00 O ATOM 1470 CB ILE A 104 -8.278 -10.219 0.131 1.00 0.00 C ATOM 1471 CG1 ILE A 104 -6.895 -9.857 0.698 1.00 0.00 C ATOM 1472 CG2 ILE A 104 -8.606 -9.379 -1.115 1.00 0.00 C ATOM 1473 CD1 ILE A 104 -5.754 -10.535 -0.047 1.00 0.00 C ATOM 0 H ILE A 104 -10.603 -10.959 -0.183 1.00 0.00 H new ATOM 0 HA ILE A 104 -8.924 -10.683 2.102 1.00 0.00 H new ATOM 0 HB ILE A 104 -8.282 -11.250 -0.222 1.00 0.00 H new ATOM 0 HG12 ILE A 104 -6.761 -8.776 0.652 1.00 0.00 H new ATOM 0 HG13 ILE A 104 -6.854 -10.139 1.750 1.00 0.00 H new ATOM 0 HG21 ILE A 104 -7.814 -9.499 -1.854 1.00 0.00 H new ATOM 0 HG22 ILE A 104 -9.553 -9.713 -1.540 1.00 0.00 H new ATOM 0 HG23 ILE A 104 -8.684 -8.328 -0.835 1.00 0.00 H new ATOM 0 HD11 ILE A 104 -4.803 -10.241 0.398 1.00 0.00 H new ATOM 0 HD12 ILE A 104 -5.868 -11.617 0.020 1.00 0.00 H new ATOM 0 HD13 ILE A 104 -5.773 -10.233 -1.094 1.00 0.00 H new ATOM 1485 N GLU A 105 -10.739 -8.155 1.578 1.00 0.00 N ATOM 1486 CA GLU A 105 -11.221 -6.896 2.115 1.00 0.00 C ATOM 1487 C GLU A 105 -11.446 -6.945 3.634 1.00 0.00 C ATOM 1488 O GLU A 105 -11.741 -5.944 4.265 1.00 0.00 O ATOM 1489 CB GLU A 105 -12.543 -6.608 1.399 1.00 0.00 C ATOM 1490 CG GLU A 105 -12.845 -5.124 1.249 1.00 0.00 C ATOM 1491 CD GLU A 105 -13.729 -4.472 2.316 1.00 0.00 C ATOM 1492 OE1 GLU A 105 -14.685 -5.116 2.816 1.00 0.00 O ATOM 1493 OE2 GLU A 105 -13.508 -3.260 2.551 1.00 0.00 O ATOM 0 H GLU A 105 -11.422 -8.596 0.962 1.00 0.00 H new ATOM 0 HA GLU A 105 -10.478 -6.116 1.950 1.00 0.00 H new ATOM 0 HB2 GLU A 105 -12.518 -7.067 0.411 1.00 0.00 H new ATOM 0 HB3 GLU A 105 -13.356 -7.082 1.950 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -11.896 -4.588 1.225 1.00 0.00 H new ATOM 0 HG3 GLU A 105 -13.321 -4.974 0.280 1.00 0.00 H new ATOM 1500 N GLY A 106 -11.265 -8.103 4.248 1.00 0.00 N ATOM 1501 CA GLY A 106 -11.124 -8.198 5.686 1.00 0.00 C ATOM 1502 C GLY A 106 -9.693 -7.831 6.097 1.00 0.00 C ATOM 1503 O GLY A 106 -9.465 -6.820 6.763 1.00 0.00 O ATOM 0 H GLY A 106 -11.212 -8.999 3.763 1.00 0.00 H new ATOM 0 HA2 GLY A 106 -11.834 -7.531 6.174 1.00 0.00 H new ATOM 0 HA3 GLY A 106 -11.358 -9.210 6.017 1.00 0.00 H new ATOM 1507 N ALA A 107 -8.700 -8.623 5.673 1.00 0.00 N ATOM 1508 CA ALA A 107 -7.335 -8.508 6.176 1.00 0.00 C ATOM 1509 C ALA A 107 -6.705 -7.153 5.861 1.00 0.00 C ATOM 1510 O ALA A 107 -5.878 -6.673 6.633 1.00 0.00 O ATOM 1511 CB ALA A 107 -6.480 -9.634 5.583 1.00 0.00 C ATOM 0 H ALA A 107 -8.824 -9.356 4.975 1.00 0.00 H new ATOM 0 HA ALA A 107 -7.375 -8.594 7.262 1.00 0.00 H new ATOM 0 HB1 ALA A 107 -5.459 -9.551 5.957 1.00 0.00 H new ATOM 0 HB2 ALA A 107 -6.896 -10.599 5.874 1.00 0.00 H new ATOM 0 HB3 ALA A 107 -6.476 -9.554 4.496 1.00 0.00 H new ATOM 1517 N TYR A 108 -7.049 -6.550 4.720 1.00 0.00 N ATOM 1518 CA TYR A 108 -6.390 -5.347 4.212 1.00 0.00 C ATOM 1519 C TYR A 108 -6.605 -4.164 5.182 1.00 0.00 C ATOM 1520 O TYR A 108 -5.688 -3.388 5.445 1.00 0.00 O ATOM 1521 CB TYR A 108 -6.888 -5.106 2.772 1.00 0.00 C ATOM 1522 CG TYR A 108 -8.029 -4.142 2.602 1.00 0.00 C ATOM 1523 CD1 TYR A 108 -9.257 -4.452 3.183 1.00 0.00 C ATOM 1524 CD2 TYR A 108 -7.874 -2.942 1.879 1.00 0.00 C ATOM 1525 CE1 TYR A 108 -10.356 -3.630 2.945 1.00 0.00 C ATOM 1526 CE2 TYR A 108 -8.959 -2.064 1.722 1.00 0.00 C ATOM 1527 CZ TYR A 108 -10.236 -2.461 2.183 1.00 0.00 C ATOM 1528 OH TYR A 108 -11.355 -1.723 1.960 1.00 0.00 O ATOM 0 H TYR A 108 -7.800 -6.888 4.118 1.00 0.00 H new ATOM 0 HA TYR A 108 -5.308 -5.465 4.163 1.00 0.00 H new ATOM 0 HB2 TYR A 108 -6.048 -4.746 2.178 1.00 0.00 H new ATOM 0 HB3 TYR A 108 -7.188 -6.066 2.351 1.00 0.00 H new ATOM 0 HD1 TYR A 108 -9.356 -5.323 3.813 1.00 0.00 H new ATOM 0 HD2 TYR A 108 -6.917 -2.697 1.444 1.00 0.00 H new ATOM 0 HE1 TYR A 108 -11.318 -3.899 3.355 1.00 0.00 H new ATOM 0 HE2 TYR A 108 -8.820 -1.100 1.256 1.00 0.00 H new ATOM 0 HH TYR A 108 -12.143 -2.305 1.992 1.00 0.00 H new ATOM 1538 N LEU A 109 -7.787 -4.073 5.802 1.00 0.00 N ATOM 1539 CA LEU A 109 -8.128 -3.059 6.800 1.00 0.00 C ATOM 1540 C LEU A 109 -7.470 -3.364 8.139 1.00 0.00 C ATOM 1541 O LEU A 109 -7.252 -2.454 8.933 1.00 0.00 O ATOM 1542 CB LEU A 109 -9.663 -2.986 6.948 1.00 0.00 C ATOM 1543 CG LEU A 109 -10.381 -1.891 6.120 1.00 0.00 C ATOM 1544 CD1 LEU A 109 -9.600 -1.307 4.926 1.00 0.00 C ATOM 1545 CD2 LEU A 109 -11.775 -2.373 5.685 1.00 0.00 C ATOM 0 H LEU A 109 -8.552 -4.722 5.617 1.00 0.00 H new ATOM 0 HA LEU A 109 -7.752 -2.092 6.465 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -10.080 -3.954 6.670 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -9.898 -2.828 8.001 1.00 0.00 H new ATOM 0 HG LEU A 109 -10.464 -1.049 6.807 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -10.208 -0.552 4.428 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -8.676 -0.852 5.283 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -9.363 -2.104 4.222 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -12.265 -1.592 5.104 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -11.676 -3.270 5.074 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -12.374 -2.599 6.567 1.00 0.00 H new ATOM 1557 N ASN A 110 -7.118 -4.626 8.395 1.00 0.00 N ATOM 1558 CA ASN A 110 -6.325 -4.980 9.569 1.00 0.00 C ATOM 1559 C ASN A 110 -4.841 -4.720 9.383 1.00 0.00 C ATOM 1560 O ASN A 110 -4.107 -4.632 10.360 1.00 0.00 O ATOM 1561 CB ASN A 110 -6.483 -6.457 9.935 1.00 0.00 C ATOM 1562 CG ASN A 110 -6.684 -6.591 11.443 1.00 0.00 C ATOM 1563 OD1 ASN A 110 -7.641 -7.219 11.890 1.00 0.00 O ATOM 1564 ND2 ASN A 110 -5.838 -5.974 12.254 1.00 0.00 N ATOM 0 H ASN A 110 -7.371 -5.418 7.804 1.00 0.00 H new ATOM 0 HA ASN A 110 -6.708 -4.341 10.365 1.00 0.00 H new ATOM 0 HB2 ASN A 110 -7.334 -6.885 9.405 1.00 0.00 H new ATOM 0 HB3 ASN A 110 -5.600 -7.016 9.624 1.00 0.00 H new ATOM 0 HD21 ASN A 110 -5.977 -6.016 13.264 1.00 0.00 H new ATOM 0 HD22 ASN A 110 -5.048 -5.456 11.869 1.00 0.00 H new ATOM 1571 N ALA A 111 -4.376 -4.701 8.142 1.00 0.00 N ATOM 1572 CA ALA A 111 -3.022 -4.323 7.810 1.00 0.00 C ATOM 1573 C ALA A 111 -2.873 -2.804 7.925 1.00 0.00 C ATOM 1574 O ALA A 111 -1.880 -2.324 8.461 1.00 0.00 O ATOM 1575 CB ALA A 111 -2.726 -4.871 6.417 1.00 0.00 C ATOM 0 H ALA A 111 -4.941 -4.952 7.331 1.00 0.00 H new ATOM 0 HA ALA A 111 -2.290 -4.744 8.499 1.00 0.00 H new ATOM 0 HB1 ALA A 111 -1.709 -4.605 6.130 1.00 0.00 H new ATOM 0 HB2 ALA A 111 -2.829 -5.956 6.423 1.00 0.00 H new ATOM 0 HB3 ALA A 111 -3.428 -4.444 5.701 1.00 0.00 H new ATOM 1581 N LEU A 112 -3.882 -2.046 7.493 1.00 0.00 N ATOM 1582 CA LEU A 112 -3.877 -0.585 7.536 1.00 0.00 C ATOM 1583 C LEU A 112 -3.765 0.016 8.943 1.00 0.00 C ATOM 1584 O LEU A 112 -3.443 1.200 9.040 1.00 0.00 O ATOM 1585 CB LEU A 112 -5.118 -0.060 6.793 1.00 0.00 C ATOM 1586 CG LEU A 112 -4.875 -0.005 5.273 1.00 0.00 C ATOM 1587 CD1 LEU A 112 -6.163 0.205 4.480 1.00 0.00 C ATOM 1588 CD2 LEU A 112 -3.961 1.172 4.936 1.00 0.00 C ATOM 0 H LEU A 112 -4.737 -2.437 7.098 1.00 0.00 H new ATOM 0 HA LEU A 112 -2.966 -0.256 7.036 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -5.971 -0.704 7.004 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -5.371 0.935 7.160 1.00 0.00 H new ATOM 0 HG LEU A 112 -4.432 -0.963 5.002 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -5.934 0.236 3.415 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -6.851 -0.617 4.679 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -6.625 1.146 4.779 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -3.793 1.206 3.860 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -4.430 2.101 5.259 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -3.007 1.050 5.449 1.00 0.00 H new ATOM 1600 N THR A 113 -3.969 -0.740 10.025 1.00 0.00 N ATOM 1601 CA THR A 113 -3.772 -0.233 11.383 1.00 0.00 C ATOM 1602 C THR A 113 -2.299 -0.279 11.820 1.00 0.00 C ATOM 1603 O THR A 113 -1.958 0.231 12.893 1.00 0.00 O ATOM 1604 CB THR A 113 -4.702 -0.973 12.355 1.00 0.00 C ATOM 1605 OG1 THR A 113 -4.510 -2.367 12.302 1.00 0.00 O ATOM 1606 CG2 THR A 113 -6.173 -0.725 12.015 1.00 0.00 C ATOM 0 H THR A 113 -4.273 -1.713 9.984 1.00 0.00 H new ATOM 0 HA THR A 113 -4.040 0.823 11.396 1.00 0.00 H new ATOM 0 HB THR A 113 -4.459 -0.589 13.346 1.00 0.00 H new ATOM 0 HG1 THR A 113 -5.117 -2.805 12.934 1.00 0.00 H new ATOM 0 HG21 THR A 113 -6.805 -1.263 12.721 1.00 0.00 H new ATOM 0 HG22 THR A 113 -6.386 0.342 12.077 1.00 0.00 H new ATOM 0 HG23 THR A 113 -6.377 -1.078 11.004 1.00 0.00 H new ATOM 1614 N HIS A 114 -1.411 -0.834 10.991 1.00 0.00 N ATOM 1615 CA HIS A 114 -0.022 -1.096 11.308 1.00 0.00 C ATOM 1616 C HIS A 114 0.864 -0.300 10.369 1.00 0.00 C ATOM 1617 O HIS A 114 1.304 -0.815 9.346 1.00 0.00 O ATOM 1618 CB HIS A 114 0.247 -2.597 11.191 1.00 0.00 C ATOM 1619 CG HIS A 114 -0.233 -3.360 12.382 1.00 0.00 C ATOM 1620 ND1 HIS A 114 0.374 -3.312 13.606 1.00 0.00 N ATOM 1621 CD2 HIS A 114 -1.317 -4.186 12.467 1.00 0.00 C ATOM 1622 CE1 HIS A 114 -0.315 -4.112 14.429 1.00 0.00 C ATOM 1623 NE2 HIS A 114 -1.355 -4.667 13.780 1.00 0.00 N ATOM 0 H HIS A 114 -1.659 -1.121 10.044 1.00 0.00 H new ATOM 0 HA HIS A 114 0.200 -0.788 12.330 1.00 0.00 H new ATOM 0 HB2 HIS A 114 -0.242 -2.982 10.296 1.00 0.00 H new ATOM 0 HB3 HIS A 114 1.317 -2.762 11.065 1.00 0.00 H new ATOM 0 HD2 HIS A 114 -2.011 -4.422 11.674 1.00 0.00 H new ATOM 0 HE1 HIS A 114 -0.071 -4.287 15.466 1.00 0.00 H new ATOM 0 HE2 HIS A 114 -2.040 -5.314 14.171 1.00 0.00 H new ATOM 1631 N ILE A 115 1.124 0.966 10.686 1.00 0.00 N ATOM 1632 CA ILE A 115 1.996 1.803 9.878 1.00 0.00 C ATOM 1633 C ILE A 115 3.035 2.414 10.816 1.00 0.00 C ATOM 1634 O ILE A 115 3.167 3.636 10.945 1.00 0.00 O ATOM 1635 CB ILE A 115 1.175 2.820 9.056 1.00 0.00 C ATOM 1636 CG1 ILE A 115 -0.159 2.270 8.500 1.00 0.00 C ATOM 1637 CG2 ILE A 115 2.045 3.381 7.923 1.00 0.00 C ATOM 1638 CD1 ILE A 115 -0.049 1.255 7.350 1.00 0.00 C ATOM 0 H ILE A 115 0.737 1.435 11.505 1.00 0.00 H new ATOM 0 HA ILE A 115 2.532 1.230 9.121 1.00 0.00 H new ATOM 0 HB ILE A 115 0.887 3.612 9.747 1.00 0.00 H new ATOM 0 HG12 ILE A 115 -0.704 1.801 9.319 1.00 0.00 H new ATOM 0 HG13 ILE A 115 -0.760 3.112 8.157 1.00 0.00 H new ATOM 0 HG21 ILE A 115 1.467 4.099 7.342 1.00 0.00 H new ATOM 0 HG22 ILE A 115 2.919 3.876 8.346 1.00 0.00 H new ATOM 0 HG23 ILE A 115 2.368 2.566 7.275 1.00 0.00 H new ATOM 0 HD11 ILE A 115 -1.047 0.942 7.045 1.00 0.00 H new ATOM 0 HD12 ILE A 115 0.461 1.717 6.505 1.00 0.00 H new ATOM 0 HD13 ILE A 115 0.518 0.386 7.685 1.00 0.00 H new ATOM 1650 N ASP A 116 3.802 1.529 11.457 1.00 0.00 N ATOM 1651 CA ASP A 116 4.958 1.932 12.249 1.00 0.00 C ATOM 1652 C ASP A 116 6.074 2.431 11.331 1.00 0.00 C ATOM 1653 O ASP A 116 6.891 3.289 11.683 1.00 0.00 O ATOM 1654 CB ASP A 116 5.485 0.735 13.047 1.00 0.00 C ATOM 1655 CG ASP A 116 6.521 1.182 14.103 1.00 0.00 C ATOM 1656 OD1 ASP A 116 6.589 2.380 14.470 1.00 0.00 O ATOM 1657 OD2 ASP A 116 7.358 0.359 14.532 1.00 0.00 O ATOM 0 H ASP A 116 3.638 0.522 11.440 1.00 0.00 H new ATOM 0 HA ASP A 116 4.652 2.728 12.927 1.00 0.00 H new ATOM 0 HB2 ASP A 116 4.655 0.229 13.539 1.00 0.00 H new ATOM 0 HB3 ASP A 116 5.941 0.014 12.368 1.00 0.00 H new ATOM 1662 N ARG A 117 6.104 1.884 10.114 1.00 0.00 N ATOM 1663 CA ARG A 117 7.090 2.188 9.103 1.00 0.00 C ATOM 1664 C ARG A 117 6.497 2.261 7.706 1.00 0.00 C ATOM 1665 O ARG A 117 5.428 1.739 7.405 1.00 0.00 O ATOM 1666 CB ARG A 117 8.259 1.230 9.219 1.00 0.00 C ATOM 1667 CG ARG A 117 7.977 -0.225 9.461 1.00 0.00 C ATOM 1668 CD ARG A 117 7.974 -0.718 10.884 1.00 0.00 C ATOM 1669 NE ARG A 117 9.087 -1.608 11.253 1.00 0.00 N ATOM 1670 CZ ARG A 117 9.702 -1.706 12.441 1.00 0.00 C ATOM 1671 NH1 ARG A 117 9.501 -0.846 13.432 1.00 0.00 N ATOM 1672 NH2 ARG A 117 10.546 -2.707 12.641 1.00 0.00 N ATOM 0 H ARG A 117 5.416 1.197 9.806 1.00 0.00 H new ATOM 0 HA ARG A 117 7.472 3.193 9.284 1.00 0.00 H new ATOM 0 HB2 ARG A 117 8.841 1.306 8.300 1.00 0.00 H new ATOM 0 HB3 ARG A 117 8.896 1.583 10.030 1.00 0.00 H new ATOM 0 HG2 ARG A 117 7.004 -0.453 9.027 1.00 0.00 H new ATOM 0 HG3 ARG A 117 8.716 -0.805 8.908 1.00 0.00 H new ATOM 0 HD2 ARG A 117 7.988 0.146 11.549 1.00 0.00 H new ATOM 0 HD3 ARG A 117 7.037 -1.244 11.065 1.00 0.00 H new ATOM 0 HE ARG A 117 9.432 -2.224 10.517 1.00 0.00 H new ATOM 0 HH11 ARG A 117 8.854 -0.067 13.308 1.00 0.00 H new ATOM 0 HH12 ARG A 117 9.993 -0.964 14.317 1.00 0.00 H new ATOM 0 HH21 ARG A 117 10.718 -3.385 11.899 1.00 0.00 H new ATOM 0 HH22 ARG A 117 11.024 -2.800 13.537 1.00 0.00 H new ATOM 1686 N THR A 118 7.199 2.949 6.825 1.00 0.00 N ATOM 1687 CA THR A 118 6.896 3.057 5.413 1.00 0.00 C ATOM 1688 C THR A 118 8.212 3.281 4.647 1.00 0.00 C ATOM 1689 O THR A 118 9.259 3.479 5.268 1.00 0.00 O ATOM 1690 CB THR A 118 5.837 4.152 5.186 1.00 0.00 C ATOM 1691 OG1 THR A 118 4.721 4.003 6.040 1.00 0.00 O ATOM 1692 CG2 THR A 118 5.249 4.127 3.777 1.00 0.00 C ATOM 0 H THR A 118 8.035 3.471 7.088 1.00 0.00 H new ATOM 0 HA THR A 118 6.454 2.139 5.026 1.00 0.00 H new ATOM 0 HB THR A 118 6.379 5.078 5.376 1.00 0.00 H new ATOM 0 HG1 THR A 118 4.010 4.616 5.759 1.00 0.00 H new ATOM 0 HG21 THR A 118 4.509 4.921 3.677 1.00 0.00 H new ATOM 0 HG22 THR A 118 6.045 4.279 3.048 1.00 0.00 H new ATOM 0 HG23 THR A 118 4.773 3.163 3.599 1.00 0.00 H new ATOM 1700 N GLY A 119 8.182 3.246 3.316 1.00 0.00 N ATOM 1701 CA GLY A 119 9.291 3.584 2.446 1.00 0.00 C ATOM 1702 C GLY A 119 8.742 3.885 1.056 1.00 0.00 C ATOM 1703 O GLY A 119 8.447 2.980 0.287 1.00 0.00 O ATOM 0 H GLY A 119 7.347 2.969 2.800 1.00 0.00 H new ATOM 0 HA2 GLY A 119 9.829 4.448 2.836 1.00 0.00 H new ATOM 0 HA3 GLY A 119 10.003 2.759 2.402 1.00 0.00 H new ATOM 1707 N VAL A 120 8.580 5.162 0.715 1.00 0.00 N ATOM 1708 CA VAL A 120 8.117 5.554 -0.611 1.00 0.00 C ATOM 1709 C VAL A 120 9.319 5.993 -1.448 1.00 0.00 C ATOM 1710 O VAL A 120 10.189 6.714 -0.955 1.00 0.00 O ATOM 1711 CB VAL A 120 6.968 6.555 -0.508 1.00 0.00 C ATOM 1712 CG1 VAL A 120 7.294 7.716 0.435 1.00 0.00 C ATOM 1713 CG2 VAL A 120 6.505 6.979 -1.912 1.00 0.00 C ATOM 0 H VAL A 120 8.764 5.944 1.343 1.00 0.00 H new ATOM 0 HA VAL A 120 7.678 4.713 -1.147 1.00 0.00 H new ATOM 0 HB VAL A 120 6.113 6.068 -0.039 1.00 0.00 H new ATOM 0 HG11 VAL A 120 6.447 8.401 0.475 1.00 0.00 H new ATOM 0 HG12 VAL A 120 7.495 7.328 1.434 1.00 0.00 H new ATOM 0 HG13 VAL A 120 8.173 8.247 0.068 1.00 0.00 H new ATOM 0 HG21 VAL A 120 5.686 7.693 -1.825 1.00 0.00 H new ATOM 0 HG22 VAL A 120 7.335 7.443 -2.444 1.00 0.00 H new ATOM 0 HG23 VAL A 120 6.165 6.102 -2.463 1.00 0.00 H new ATOM 1723 N GLN A 121 9.363 5.547 -2.706 1.00 0.00 N ATOM 1724 CA GLN A 121 10.398 5.856 -3.678 1.00 0.00 C ATOM 1725 C GLN A 121 9.765 6.808 -4.688 1.00 0.00 C ATOM 1726 O GLN A 121 9.352 6.385 -5.770 1.00 0.00 O ATOM 1727 CB GLN A 121 10.892 4.539 -4.311 1.00 0.00 C ATOM 1728 CG GLN A 121 11.955 4.683 -5.417 1.00 0.00 C ATOM 1729 CD GLN A 121 12.044 3.434 -6.296 1.00 0.00 C ATOM 1730 OE1 GLN A 121 13.115 2.871 -6.508 1.00 0.00 O ATOM 1731 NE2 GLN A 121 10.928 3.023 -6.866 1.00 0.00 N ATOM 0 H GLN A 121 8.642 4.933 -3.085 1.00 0.00 H new ATOM 0 HA GLN A 121 11.273 6.336 -3.240 1.00 0.00 H new ATOM 0 HB2 GLN A 121 11.300 3.909 -3.521 1.00 0.00 H new ATOM 0 HB3 GLN A 121 10.032 4.013 -4.726 1.00 0.00 H new ATOM 0 HG2 GLN A 121 11.717 5.547 -6.038 1.00 0.00 H new ATOM 0 HG3 GLN A 121 12.927 4.876 -4.962 1.00 0.00 H new ATOM 0 HE21 GLN A 121 10.050 3.506 -6.675 1.00 0.00 H new ATOM 0 HE22 GLN A 121 10.943 2.222 -7.498 1.00 0.00 H new ATOM 1740 N MET A 122 9.593 8.089 -4.345 1.00 0.00 N ATOM 1741 CA MET A 122 9.080 9.116 -5.244 1.00 0.00 C ATOM 1742 C MET A 122 10.107 9.493 -6.328 1.00 0.00 C ATOM 1743 O MET A 122 10.369 10.675 -6.556 1.00 0.00 O ATOM 1744 CB MET A 122 8.701 10.356 -4.426 1.00 0.00 C ATOM 1745 CG MET A 122 7.699 10.141 -3.298 1.00 0.00 C ATOM 1746 SD MET A 122 5.987 9.805 -3.763 1.00 0.00 S ATOM 1747 CE MET A 122 5.661 11.359 -4.612 1.00 0.00 C ATOM 0 H MET A 122 9.813 8.443 -3.414 1.00 0.00 H new ATOM 0 HA MET A 122 8.202 8.718 -5.752 1.00 0.00 H new ATOM 0 HB2 MET A 122 9.612 10.776 -3.999 1.00 0.00 H new ATOM 0 HB3 MET A 122 8.294 11.104 -5.107 1.00 0.00 H new ATOM 0 HG2 MET A 122 8.052 9.310 -2.687 1.00 0.00 H new ATOM 0 HG3 MET A 122 7.709 11.028 -2.665 1.00 0.00 H new ATOM 0 HE1 MET A 122 4.668 11.719 -4.343 1.00 0.00 H new ATOM 0 HE2 MET A 122 6.407 12.097 -4.318 1.00 0.00 H new ATOM 0 HE3 MET A 122 5.710 11.202 -5.690 1.00 0.00 H new ATOM 1757 N ARG A 123 10.671 8.521 -7.038 1.00 0.00 N ATOM 1758 CA ARG A 123 11.591 8.698 -8.151 1.00 0.00 C ATOM 1759 C ARG A 123 11.118 7.737 -9.231 1.00 0.00 C ATOM 1760 O ARG A 123 10.828 6.596 -8.896 1.00 0.00 O ATOM 1761 CB ARG A 123 13.007 8.333 -7.678 1.00 0.00 C ATOM 1762 CG ARG A 123 14.064 9.002 -8.561 1.00 0.00 C ATOM 1763 CD ARG A 123 14.406 10.401 -8.032 1.00 0.00 C ATOM 1764 NE ARG A 123 15.445 10.325 -6.993 1.00 0.00 N ATOM 1765 CZ ARG A 123 16.761 10.226 -7.211 1.00 0.00 C ATOM 1766 NH1 ARG A 123 17.246 10.264 -8.449 1.00 0.00 N ATOM 1767 NH2 ARG A 123 17.601 10.085 -6.193 1.00 0.00 N ATOM 0 H ARG A 123 10.487 7.537 -6.840 1.00 0.00 H new ATOM 0 HA ARG A 123 11.614 9.721 -8.526 1.00 0.00 H new ATOM 0 HB2 ARG A 123 13.141 8.645 -6.642 1.00 0.00 H new ATOM 0 HB3 ARG A 123 13.137 7.251 -7.704 1.00 0.00 H new ATOM 0 HG2 ARG A 123 14.964 8.388 -8.588 1.00 0.00 H new ATOM 0 HG3 ARG A 123 13.697 9.075 -9.585 1.00 0.00 H new ATOM 0 HD2 ARG A 123 14.750 11.031 -8.852 1.00 0.00 H new ATOM 0 HD3 ARG A 123 13.511 10.870 -7.624 1.00 0.00 H new ATOM 0 HE ARG A 123 15.135 10.350 -6.022 1.00 0.00 H new ATOM 0 HH11 ARG A 123 16.613 10.369 -9.242 1.00 0.00 H new ATOM 0 HH12 ARG A 123 18.251 10.188 -8.606 1.00 0.00 H new ATOM 0 HH21 ARG A 123 17.244 10.052 -5.238 1.00 0.00 H new ATOM 0 HH22 ARG A 123 18.603 10.010 -6.366 1.00 0.00 H new ATOM 1781 N ALA A 124 10.926 8.187 -10.471 1.00 0.00 N ATOM 1782 CA ALA A 124 10.496 7.328 -11.557 1.00 0.00 C ATOM 1783 C ALA A 124 11.588 6.304 -11.873 1.00 0.00 C ATOM 1784 O ALA A 124 12.734 6.726 -12.054 1.00 0.00 O ATOM 1785 CB ALA A 124 10.093 8.166 -12.763 1.00 0.00 C ATOM 0 H ALA A 124 11.066 9.160 -10.744 1.00 0.00 H new ATOM 0 HA ALA A 124 9.610 6.766 -11.261 1.00 0.00 H new ATOM 0 HB1 ALA A 124 9.772 7.509 -13.572 1.00 0.00 H new ATOM 0 HB2 ALA A 124 9.273 8.829 -12.487 1.00 0.00 H new ATOM 0 HB3 ALA A 124 10.945 8.760 -13.094 1.00 0.00 H new ATOM 1791 N PRO A 125 11.273 5.001 -11.962 1.00 0.00 N ATOM 1792 CA PRO A 125 9.933 4.427 -11.855 1.00 0.00 C ATOM 1793 C PRO A 125 9.419 4.376 -10.404 1.00 0.00 C ATOM 1794 O PRO A 125 10.046 3.794 -9.526 1.00 0.00 O ATOM 1795 CB PRO A 125 10.053 3.033 -12.473 1.00 0.00 C ATOM 1796 CG PRO A 125 11.506 2.646 -12.203 1.00 0.00 C ATOM 1797 CD PRO A 125 12.246 3.976 -12.303 1.00 0.00 C ATOM 0 HA PRO A 125 9.196 5.041 -12.373 1.00 0.00 H new ATOM 0 HB2 PRO A 125 9.358 2.329 -12.014 1.00 0.00 H new ATOM 0 HB3 PRO A 125 9.833 3.047 -13.541 1.00 0.00 H new ATOM 0 HG2 PRO A 125 11.625 2.192 -11.219 1.00 0.00 H new ATOM 0 HG3 PRO A 125 11.873 1.925 -12.934 1.00 0.00 H new ATOM 0 HD2 PRO A 125 13.096 4.002 -11.621 1.00 0.00 H new ATOM 0 HD3 PRO A 125 12.639 4.130 -13.308 1.00 0.00 H new ATOM 1805 N GLN A 126 8.303 5.061 -10.140 1.00 0.00 N ATOM 1806 CA GLN A 126 7.788 5.331 -8.808 1.00 0.00 C ATOM 1807 C GLN A 126 6.950 4.146 -8.330 1.00 0.00 C ATOM 1808 O GLN A 126 6.021 3.715 -9.013 1.00 0.00 O ATOM 1809 CB GLN A 126 6.923 6.605 -8.831 1.00 0.00 C ATOM 1810 CG GLN A 126 7.704 7.884 -9.186 1.00 0.00 C ATOM 1811 CD GLN A 126 6.923 9.092 -9.709 1.00 0.00 C ATOM 1812 OE1 GLN A 126 6.845 9.345 -10.905 1.00 0.00 O ATOM 1813 NE2 GLN A 126 6.443 9.961 -8.840 1.00 0.00 N ATOM 0 H GLN A 126 7.718 5.453 -10.878 1.00 0.00 H new ATOM 0 HA GLN A 126 8.624 5.479 -8.124 1.00 0.00 H new ATOM 0 HB2 GLN A 126 6.117 6.472 -9.552 1.00 0.00 H new ATOM 0 HB3 GLN A 126 6.458 6.734 -7.854 1.00 0.00 H new ATOM 0 HG2 GLN A 126 8.247 8.200 -8.295 1.00 0.00 H new ATOM 0 HG3 GLN A 126 8.449 7.620 -9.936 1.00 0.00 H new ATOM 0 HE21 GLN A 126 6.499 9.767 -7.840 1.00 0.00 H new ATOM 0 HE22 GLN A 126 6.015 10.827 -9.168 1.00 0.00 H new ATOM 1822 N GLN A 127 7.213 3.701 -7.108 1.00 0.00 N ATOM 1823 CA GLN A 127 6.402 2.751 -6.352 1.00 0.00 C ATOM 1824 C GLN A 127 6.391 3.169 -4.877 1.00 0.00 C ATOM 1825 O GLN A 127 7.155 4.050 -4.456 1.00 0.00 O ATOM 1826 CB GLN A 127 6.933 1.313 -6.502 1.00 0.00 C ATOM 1827 CG GLN A 127 6.587 0.630 -7.830 1.00 0.00 C ATOM 1828 CD GLN A 127 6.704 -0.896 -7.714 1.00 0.00 C ATOM 1829 OE1 GLN A 127 7.592 -1.439 -7.055 1.00 0.00 O ATOM 1830 NE2 GLN A 127 5.792 -1.647 -8.308 1.00 0.00 N ATOM 0 H GLN A 127 8.037 4.007 -6.591 1.00 0.00 H new ATOM 0 HA GLN A 127 5.386 2.763 -6.747 1.00 0.00 H new ATOM 0 HB2 GLN A 127 8.017 1.329 -6.390 1.00 0.00 H new ATOM 0 HB3 GLN A 127 6.537 0.709 -5.686 1.00 0.00 H new ATOM 0 HG2 GLN A 127 5.573 0.898 -8.127 1.00 0.00 H new ATOM 0 HG3 GLN A 127 7.255 0.991 -8.613 1.00 0.00 H new ATOM 0 HE21 GLN A 127 5.051 -1.211 -8.857 1.00 0.00 H new ATOM 0 HE22 GLN A 127 5.830 -2.662 -8.217 1.00 0.00 H new ATOM 1839 N MET A 128 5.508 2.565 -4.089 1.00 0.00 N ATOM 1840 CA MET A 128 5.386 2.765 -2.653 1.00 0.00 C ATOM 1841 C MET A 128 5.552 1.391 -2.011 1.00 0.00 C ATOM 1842 O MET A 128 4.978 0.410 -2.494 1.00 0.00 O ATOM 1843 CB MET A 128 4.046 3.437 -2.337 1.00 0.00 C ATOM 1844 CG MET A 128 3.969 4.093 -0.963 1.00 0.00 C ATOM 1845 SD MET A 128 3.054 3.162 0.285 1.00 0.00 S ATOM 1846 CE MET A 128 1.395 3.394 -0.418 1.00 0.00 C ATOM 0 H MET A 128 4.830 1.895 -4.451 1.00 0.00 H new ATOM 0 HA MET A 128 6.147 3.434 -2.251 1.00 0.00 H new ATOM 0 HB2 MET A 128 3.846 4.193 -3.097 1.00 0.00 H new ATOM 0 HB3 MET A 128 3.255 2.691 -2.413 1.00 0.00 H new ATOM 0 HG2 MET A 128 4.983 4.257 -0.599 1.00 0.00 H new ATOM 0 HG3 MET A 128 3.507 5.074 -1.072 1.00 0.00 H new ATOM 0 HE1 MET A 128 0.674 2.803 0.147 1.00 0.00 H new ATOM 0 HE2 MET A 128 1.121 4.448 -0.364 1.00 0.00 H new ATOM 0 HE3 MET A 128 1.393 3.071 -1.459 1.00 0.00 H new ATOM 1856 N GLN A 129 6.341 1.299 -0.946 1.00 0.00 N ATOM 1857 CA GLN A 129 6.323 0.181 -0.024 1.00 0.00 C ATOM 1858 C GLN A 129 5.947 0.770 1.334 1.00 0.00 C ATOM 1859 O GLN A 129 6.333 1.889 1.672 1.00 0.00 O ATOM 1860 CB GLN A 129 7.684 -0.558 -0.007 1.00 0.00 C ATOM 1861 CG GLN A 129 7.642 -1.893 -0.775 1.00 0.00 C ATOM 1862 CD GLN A 129 8.977 -2.651 -0.753 1.00 0.00 C ATOM 1863 OE1 GLN A 129 8.976 -3.968 -0.689 1.00 0.00 O flip ATOM 1864 NE2 GLN A 129 10.054 -2.093 -0.886 1.00 0.00 N flip ATOM 0 H GLN A 129 7.023 2.016 -0.699 1.00 0.00 H new ATOM 0 HA GLN A 129 5.601 -0.580 -0.320 1.00 0.00 H new ATOM 0 HB2 GLN A 129 8.448 0.085 -0.444 1.00 0.00 H new ATOM 0 HB3 GLN A 129 7.978 -0.746 1.025 1.00 0.00 H new ATOM 0 HG2 GLN A 129 6.866 -2.526 -0.346 1.00 0.00 H new ATOM 0 HG3 GLN A 129 7.359 -1.700 -1.810 1.00 0.00 H new ATOM 0 HE21 GLN A 129 10.098 -1.075 -0.940 1.00 0.00 H new ATOM 0 HE22 GLN A 129 10.910 -2.644 -0.943 1.00 0.00 H new ATOM 1873 N LEU A 130 5.187 0.024 2.128 1.00 0.00 N ATOM 1874 CA LEU A 130 5.069 0.224 3.576 1.00 0.00 C ATOM 1875 C LEU A 130 5.696 -0.963 4.295 1.00 0.00 C ATOM 1876 O LEU A 130 5.928 -1.984 3.642 1.00 0.00 O ATOM 1877 CB LEU A 130 3.679 0.661 4.120 1.00 0.00 C ATOM 1878 CG LEU A 130 2.482 0.291 3.261 1.00 0.00 C ATOM 1879 CD1 LEU A 130 2.643 -1.167 2.868 1.00 0.00 C ATOM 1880 CD2 LEU A 130 1.123 0.476 3.939 1.00 0.00 C ATOM 0 H LEU A 130 4.623 -0.752 1.781 1.00 0.00 H new ATOM 0 HA LEU A 130 5.638 1.124 3.810 1.00 0.00 H new ATOM 0 HB2 LEU A 130 3.543 0.221 5.108 1.00 0.00 H new ATOM 0 HB3 LEU A 130 3.686 1.743 4.252 1.00 0.00 H new ATOM 0 HG LEU A 130 2.475 0.969 2.408 1.00 0.00 H new ATOM 0 HD11 LEU A 130 1.800 -1.472 2.248 1.00 0.00 H new ATOM 0 HD12 LEU A 130 3.570 -1.293 2.308 1.00 0.00 H new ATOM 0 HD13 LEU A 130 2.675 -1.784 3.766 1.00 0.00 H new ATOM 0 HD21 LEU A 130 0.330 0.187 3.249 1.00 0.00 H new ATOM 0 HD22 LEU A 130 1.074 -0.148 4.831 1.00 0.00 H new ATOM 0 HD23 LEU A 130 0.996 1.521 4.220 1.00 0.00 H new ATOM 1892 N VAL A 131 5.926 -0.887 5.609 1.00 0.00 N ATOM 1893 CA VAL A 131 6.041 -2.113 6.370 1.00 0.00 C ATOM 1894 C VAL A 131 5.004 -2.015 7.480 1.00 0.00 C ATOM 1895 O VAL A 131 4.716 -0.928 7.983 1.00 0.00 O ATOM 1896 CB VAL A 131 7.450 -2.220 6.923 1.00 0.00 C ATOM 1897 CG1 VAL A 131 7.729 -3.334 7.933 1.00 0.00 C ATOM 1898 CG2 VAL A 131 8.601 -2.113 5.955 1.00 0.00 C ATOM 0 H VAL A 131 6.031 -0.023 6.141 1.00 0.00 H new ATOM 0 HA VAL A 131 5.863 -3.004 5.768 1.00 0.00 H new ATOM 0 HB VAL A 131 7.422 -1.281 7.476 1.00 0.00 H new ATOM 0 HG11 VAL A 131 8.773 -3.291 8.242 1.00 0.00 H new ATOM 0 HG12 VAL A 131 7.087 -3.204 8.804 1.00 0.00 H new ATOM 0 HG13 VAL A 131 7.526 -4.301 7.473 1.00 0.00 H new ATOM 0 HG21 VAL A 131 9.542 -2.208 6.497 1.00 0.00 H new ATOM 0 HG22 VAL A 131 8.528 -2.908 5.213 1.00 0.00 H new ATOM 0 HG23 VAL A 131 8.567 -1.145 5.454 1.00 0.00 H new ATOM 1908 N LEU A 132 4.458 -3.153 7.870 1.00 0.00 N ATOM 1909 CA LEU A 132 3.577 -3.245 9.029 1.00 0.00 C ATOM 1910 C LEU A 132 4.433 -3.559 10.242 1.00 0.00 C ATOM 1911 O LEU A 132 5.517 -4.103 10.077 1.00 0.00 O ATOM 1912 CB LEU A 132 2.517 -4.343 8.815 1.00 0.00 C ATOM 1913 CG LEU A 132 1.798 -4.344 7.448 1.00 0.00 C ATOM 1914 CD1 LEU A 132 0.617 -5.318 7.507 1.00 0.00 C ATOM 1915 CD2 LEU A 132 1.262 -2.988 6.975 1.00 0.00 C ATOM 0 H LEU A 132 4.611 -4.042 7.394 1.00 0.00 H new ATOM 0 HA LEU A 132 3.049 -2.303 9.176 1.00 0.00 H new ATOM 0 HB2 LEU A 132 2.997 -5.312 8.950 1.00 0.00 H new ATOM 0 HB3 LEU A 132 1.764 -4.249 9.597 1.00 0.00 H new ATOM 0 HG LEU A 132 2.564 -4.636 6.729 1.00 0.00 H new ATOM 0 HD11 LEU A 132 0.103 -5.325 6.546 1.00 0.00 H new ATOM 0 HD12 LEU A 132 0.983 -6.320 7.731 1.00 0.00 H new ATOM 0 HD13 LEU A 132 -0.076 -5.002 8.287 1.00 0.00 H new ATOM 0 HD21 LEU A 132 0.777 -3.106 6.006 1.00 0.00 H new ATOM 0 HD22 LEU A 132 0.540 -2.610 7.698 1.00 0.00 H new ATOM 0 HD23 LEU A 132 2.088 -2.282 6.884 1.00 0.00 H new ATOM 1927 N ASP A 133 3.949 -3.324 11.461 1.00 0.00 N ATOM 1928 CA ASP A 133 4.744 -3.530 12.679 1.00 0.00 C ATOM 1929 C ASP A 133 5.303 -4.970 12.755 1.00 0.00 C ATOM 1930 O ASP A 133 6.359 -5.189 13.351 1.00 0.00 O ATOM 1931 CB ASP A 133 3.933 -3.232 13.960 1.00 0.00 C ATOM 1932 CG ASP A 133 3.314 -1.850 14.106 1.00 0.00 C ATOM 1933 OD1 ASP A 133 2.524 -1.471 13.216 1.00 0.00 O ATOM 1934 OD2 ASP A 133 3.511 -1.210 15.162 1.00 0.00 O ATOM 0 H ASP A 133 3.002 -2.988 11.636 1.00 0.00 H new ATOM 0 HA ASP A 133 5.574 -2.826 12.621 1.00 0.00 H new ATOM 0 HB2 ASP A 133 3.130 -3.966 14.026 1.00 0.00 H new ATOM 0 HB3 ASP A 133 4.587 -3.397 14.816 1.00 0.00 H new ATOM 1939 N ASN A 134 4.650 -5.940 12.096 1.00 0.00 N ATOM 1940 CA ASN A 134 5.021 -7.355 12.091 1.00 0.00 C ATOM 1941 C ASN A 134 6.126 -7.655 11.074 1.00 0.00 C ATOM 1942 O ASN A 134 6.747 -8.718 11.127 1.00 0.00 O ATOM 1943 CB ASN A 134 3.829 -8.239 11.687 1.00 0.00 C ATOM 1944 CG ASN A 134 2.490 -7.854 12.299 1.00 0.00 C ATOM 1945 OD1 ASN A 134 2.281 -7.953 13.504 1.00 0.00 O ATOM 1946 ND2 ASN A 134 1.553 -7.439 11.463 1.00 0.00 N ATOM 0 H ASN A 134 3.821 -5.749 11.534 1.00 0.00 H new ATOM 0 HA ASN A 134 5.358 -7.571 13.105 1.00 0.00 H new ATOM 0 HB2 ASN A 134 3.733 -8.215 10.602 1.00 0.00 H new ATOM 0 HB3 ASN A 134 4.053 -9.269 11.964 1.00 0.00 H new ATOM 0 HD21 ASN A 134 0.628 -7.192 11.815 1.00 0.00 H new ATOM 0 HD22 ASN A 134 1.755 -7.366 10.466 1.00 0.00 H new ATOM 1953 N GLY A 135 6.321 -6.769 10.093 1.00 0.00 N ATOM 1954 CA GLY A 135 7.281 -6.902 9.014 1.00 0.00 C ATOM 1955 C GLY A 135 6.657 -7.053 7.625 1.00 0.00 C ATOM 1956 O GLY A 135 7.404 -6.993 6.644 1.00 0.00 O ATOM 0 H GLY A 135 5.785 -5.903 10.035 1.00 0.00 H new ATOM 0 HA2 GLY A 135 7.931 -6.027 9.013 1.00 0.00 H new ATOM 0 HA3 GLY A 135 7.912 -7.768 9.211 1.00 0.00 H new ATOM 1960 N ASP A 136 5.332 -7.246 7.509 1.00 0.00 N ATOM 1961 CA ASP A 136 4.651 -7.405 6.210 1.00 0.00 C ATOM 1962 C ASP A 136 4.926 -6.184 5.341 1.00 0.00 C ATOM 1963 O ASP A 136 5.080 -5.091 5.870 1.00 0.00 O ATOM 1964 CB ASP A 136 3.134 -7.568 6.387 1.00 0.00 C ATOM 1965 CG ASP A 136 2.659 -9.006 6.259 1.00 0.00 C ATOM 1966 OD1 ASP A 136 3.244 -9.881 6.935 1.00 0.00 O ATOM 1967 OD2 ASP A 136 1.660 -9.250 5.542 1.00 0.00 O ATOM 0 H ASP A 136 4.703 -7.296 8.310 1.00 0.00 H new ATOM 0 HA ASP A 136 5.038 -8.305 5.733 1.00 0.00 H new ATOM 0 HB2 ASP A 136 2.847 -7.185 7.366 1.00 0.00 H new ATOM 0 HB3 ASP A 136 2.622 -6.957 5.644 1.00 0.00 H new ATOM 1972 N THR A 137 4.993 -6.342 4.021 1.00 0.00 N ATOM 1973 CA THR A 137 5.479 -5.323 3.104 1.00 0.00 C ATOM 1974 C THR A 137 4.564 -5.293 1.873 1.00 0.00 C ATOM 1975 O THR A 137 4.688 -6.132 0.976 1.00 0.00 O ATOM 1976 CB THR A 137 6.952 -5.616 2.723 1.00 0.00 C ATOM 1977 OG1 THR A 137 7.706 -6.287 3.722 1.00 0.00 O ATOM 1978 CG2 THR A 137 7.681 -4.318 2.389 1.00 0.00 C ATOM 0 H THR A 137 4.704 -7.201 3.553 1.00 0.00 H new ATOM 0 HA THR A 137 5.456 -4.341 3.576 1.00 0.00 H new ATOM 0 HB THR A 137 6.884 -6.283 1.864 1.00 0.00 H new ATOM 0 HG1 THR A 137 8.620 -6.433 3.399 1.00 0.00 H new ATOM 0 HG21 THR A 137 8.715 -4.539 2.123 1.00 0.00 H new ATOM 0 HG22 THR A 137 7.187 -3.829 1.549 1.00 0.00 H new ATOM 0 HG23 THR A 137 7.663 -3.657 3.256 1.00 0.00 H new ATOM 1986 N LEU A 138 3.608 -4.369 1.786 1.00 0.00 N ATOM 1987 CA LEU A 138 2.769 -4.292 0.584 1.00 0.00 C ATOM 1988 C LEU A 138 3.477 -3.409 -0.447 1.00 0.00 C ATOM 1989 O LEU A 138 4.123 -2.431 -0.074 1.00 0.00 O ATOM 1990 CB LEU A 138 1.337 -3.826 0.886 1.00 0.00 C ATOM 1991 CG LEU A 138 0.462 -4.849 1.645 1.00 0.00 C ATOM 1992 CD1 LEU A 138 0.687 -4.845 3.164 1.00 0.00 C ATOM 1993 CD2 LEU A 138 -1.020 -4.568 1.368 1.00 0.00 C ATOM 0 H LEU A 138 3.396 -3.681 2.508 1.00 0.00 H new ATOM 0 HA LEU A 138 2.646 -5.293 0.170 1.00 0.00 H new ATOM 0 HB2 LEU A 138 1.386 -2.908 1.471 1.00 0.00 H new ATOM 0 HB3 LEU A 138 0.846 -3.578 -0.055 1.00 0.00 H new ATOM 0 HG LEU A 138 0.756 -5.832 1.277 1.00 0.00 H new ATOM 0 HD11 LEU A 138 0.039 -5.588 3.630 1.00 0.00 H new ATOM 0 HD12 LEU A 138 1.728 -5.086 3.378 1.00 0.00 H new ATOM 0 HD13 LEU A 138 0.453 -3.858 3.564 1.00 0.00 H new ATOM 0 HD21 LEU A 138 -1.634 -5.291 1.905 1.00 0.00 H new ATOM 0 HD22 LEU A 138 -1.268 -3.561 1.704 1.00 0.00 H new ATOM 0 HD23 LEU A 138 -1.212 -4.652 0.298 1.00 0.00 H new ATOM 2005 N THR A 139 3.379 -3.761 -1.730 1.00 0.00 N ATOM 2006 CA THR A 139 3.959 -3.040 -2.859 1.00 0.00 C ATOM 2007 C THR A 139 2.813 -2.391 -3.639 1.00 0.00 C ATOM 2008 O THR A 139 1.876 -3.072 -4.077 1.00 0.00 O ATOM 2009 CB THR A 139 4.744 -4.004 -3.771 1.00 0.00 C ATOM 2010 OG1 THR A 139 5.801 -4.669 -3.093 1.00 0.00 O ATOM 2011 CG2 THR A 139 5.365 -3.277 -4.966 1.00 0.00 C ATOM 0 H THR A 139 2.869 -4.595 -2.021 1.00 0.00 H new ATOM 0 HA THR A 139 4.655 -2.281 -2.501 1.00 0.00 H new ATOM 0 HB THR A 139 4.005 -4.733 -4.103 1.00 0.00 H new ATOM 0 HG1 THR A 139 6.264 -5.268 -3.716 1.00 0.00 H new ATOM 0 HG21 THR A 139 5.909 -3.991 -5.584 1.00 0.00 H new ATOM 0 HG22 THR A 139 4.577 -2.812 -5.558 1.00 0.00 H new ATOM 0 HG23 THR A 139 6.052 -2.510 -4.608 1.00 0.00 H new ATOM 2019 N PHE A 140 2.905 -1.078 -3.833 1.00 0.00 N ATOM 2020 CA PHE A 140 1.955 -0.302 -4.613 1.00 0.00 C ATOM 2021 C PHE A 140 2.648 0.357 -5.788 1.00 0.00 C ATOM 2022 O PHE A 140 3.808 0.769 -5.697 1.00 0.00 O ATOM 2023 CB PHE A 140 1.356 0.808 -3.760 1.00 0.00 C ATOM 2024 CG PHE A 140 0.740 0.354 -2.466 1.00 0.00 C ATOM 2025 CD1 PHE A 140 1.521 0.274 -1.302 1.00 0.00 C ATOM 2026 CD2 PHE A 140 -0.627 0.045 -2.417 1.00 0.00 C ATOM 2027 CE1 PHE A 140 0.905 -0.044 -0.083 1.00 0.00 C ATOM 2028 CE2 PHE A 140 -1.218 -0.313 -1.196 1.00 0.00 C ATOM 2029 CZ PHE A 140 -0.463 -0.335 -0.024 1.00 0.00 C ATOM 0 H PHE A 140 3.660 -0.515 -3.442 1.00 0.00 H new ATOM 0 HA PHE A 140 1.179 -0.984 -4.960 1.00 0.00 H new ATOM 0 HB2 PHE A 140 2.136 1.536 -3.538 1.00 0.00 H new ATOM 0 HB3 PHE A 140 0.595 1.325 -4.345 1.00 0.00 H new ATOM 0 HD1 PHE A 140 2.585 0.455 -1.345 1.00 0.00 H new ATOM 0 HD2 PHE A 140 -1.223 0.083 -3.317 1.00 0.00 H new ATOM 0 HE1 PHE A 140 1.494 -0.065 0.822 1.00 0.00 H new ATOM 0 HE2 PHE A 140 -2.266 -0.574 -1.164 1.00 0.00 H new ATOM 0 HZ PHE A 140 -0.929 -0.574 0.920 1.00 0.00 H new ATOM 2039 N ASP A 141 1.876 0.565 -6.841 1.00 0.00 N ATOM 2040 CA ASP A 141 2.284 1.184 -8.085 1.00 0.00 C ATOM 2041 C ASP A 141 1.846 2.642 -8.075 1.00 0.00 C ATOM 2042 O ASP A 141 0.831 2.988 -7.460 1.00 0.00 O ATOM 2043 CB ASP A 141 1.644 0.391 -9.231 1.00 0.00 C ATOM 2044 CG ASP A 141 2.484 -0.844 -9.555 1.00 0.00 C ATOM 2045 OD1 ASP A 141 3.686 -0.640 -9.866 1.00 0.00 O ATOM 2046 OD2 ASP A 141 1.964 -1.972 -9.438 1.00 0.00 O ATOM 0 H ASP A 141 0.894 0.290 -6.848 1.00 0.00 H new ATOM 0 HA ASP A 141 3.366 1.170 -8.215 1.00 0.00 H new ATOM 0 HB2 ASP A 141 0.634 0.090 -8.954 1.00 0.00 H new ATOM 0 HB3 ASP A 141 1.557 1.022 -10.115 1.00 0.00 H new ATOM 2051 N ARG A 142 2.608 3.534 -8.719 1.00 0.00 N ATOM 2052 CA ARG A 142 2.238 4.944 -8.818 1.00 0.00 C ATOM 2053 C ARG A 142 1.138 5.057 -9.856 1.00 0.00 C ATOM 2054 O ARG A 142 1.396 4.963 -11.058 1.00 0.00 O ATOM 2055 CB ARG A 142 3.442 5.828 -9.177 1.00 0.00 C ATOM 2056 CG ARG A 142 3.062 7.298 -9.483 1.00 0.00 C ATOM 2057 CD ARG A 142 2.748 8.110 -8.220 1.00 0.00 C ATOM 2058 NE ARG A 142 2.802 9.569 -8.451 1.00 0.00 N ATOM 2059 CZ ARG A 142 2.818 10.534 -7.521 1.00 0.00 C ATOM 2060 NH1 ARG A 142 3.042 10.259 -6.242 1.00 0.00 N ATOM 2061 NH2 ARG A 142 2.600 11.797 -7.863 1.00 0.00 N ATOM 0 H ARG A 142 3.487 3.299 -9.180 1.00 0.00 H new ATOM 0 HA ARG A 142 1.884 5.302 -7.851 1.00 0.00 H new ATOM 0 HB2 ARG A 142 4.154 5.810 -8.352 1.00 0.00 H new ATOM 0 HB3 ARG A 142 3.948 5.404 -10.044 1.00 0.00 H new ATOM 0 HG2 ARG A 142 3.881 7.775 -10.021 1.00 0.00 H new ATOM 0 HG3 ARG A 142 2.195 7.314 -10.144 1.00 0.00 H new ATOM 0 HD2 ARG A 142 1.756 7.840 -7.857 1.00 0.00 H new ATOM 0 HD3 ARG A 142 3.457 7.844 -7.436 1.00 0.00 H new ATOM 0 HE ARG A 142 2.830 9.875 -9.424 1.00 0.00 H new ATOM 0 HH11 ARG A 142 3.207 9.296 -5.949 1.00 0.00 H new ATOM 0 HH12 ARG A 142 3.049 11.011 -5.552 1.00 0.00 H new ATOM 0 HH21 ARG A 142 2.419 12.038 -8.838 1.00 0.00 H new ATOM 0 HH22 ARG A 142 2.613 12.528 -7.151 1.00 0.00 H new ATOM 2075 N SER A 143 -0.057 5.388 -9.386 1.00 0.00 N ATOM 2076 CA SER A 143 -1.154 5.770 -10.234 1.00 0.00 C ATOM 2077 C SER A 143 -1.401 7.242 -9.982 1.00 0.00 C ATOM 2078 O SER A 143 -2.069 7.628 -9.026 1.00 0.00 O ATOM 2079 CB SER A 143 -2.350 4.866 -9.988 1.00 0.00 C ATOM 2080 OG SER A 143 -3.235 4.984 -11.066 1.00 0.00 O ATOM 0 H SER A 143 -0.284 5.396 -8.392 1.00 0.00 H new ATOM 0 HA SER A 143 -0.937 5.641 -11.294 1.00 0.00 H new ATOM 0 HB2 SER A 143 -2.025 3.831 -9.879 1.00 0.00 H new ATOM 0 HB3 SER A 143 -2.848 5.144 -9.059 1.00 0.00 H new ATOM 0 HG SER A 143 -4.010 4.403 -10.918 1.00 0.00 H new ATOM 2086 N THR A 144 -0.772 8.047 -10.829 1.00 0.00 N ATOM 2087 CA THR A 144 -0.992 9.479 -10.959 1.00 0.00 C ATOM 2088 C THR A 144 -1.518 9.805 -12.367 1.00 0.00 C ATOM 2089 O THR A 144 -1.222 10.886 -12.869 1.00 0.00 O ATOM 2090 CB THR A 144 0.348 10.148 -10.591 1.00 0.00 C ATOM 2091 OG1 THR A 144 0.312 11.534 -10.371 1.00 0.00 O ATOM 2092 CG2 THR A 144 1.498 9.869 -11.567 1.00 0.00 C ATOM 0 H THR A 144 -0.061 7.701 -11.474 1.00 0.00 H new ATOM 0 HA THR A 144 -1.763 9.864 -10.291 1.00 0.00 H new ATOM 0 HB THR A 144 0.540 9.655 -9.638 1.00 0.00 H new ATOM 0 HG1 THR A 144 -0.230 11.962 -11.066 1.00 0.00 H new ATOM 0 HG21 THR A 144 2.398 10.381 -11.225 1.00 0.00 H new ATOM 0 HG22 THR A 144 1.685 8.796 -11.611 1.00 0.00 H new ATOM 0 HG23 THR A 144 1.229 10.232 -12.559 1.00 0.00 H new ATOM 2100 N ARG A 145 -2.191 8.862 -13.042 1.00 0.00 N ATOM 2101 CA ARG A 145 -2.781 9.056 -14.368 1.00 0.00 C ATOM 2102 C ARG A 145 -4.099 8.303 -14.364 1.00 0.00 C ATOM 2103 O ARG A 145 -4.224 7.307 -15.115 1.00 0.00 O ATOM 2104 CB ARG A 145 -1.828 8.563 -15.479 1.00 0.00 C ATOM 2105 CG ARG A 145 -0.679 9.524 -15.799 1.00 0.00 C ATOM 2106 CD ARG A 145 -0.703 10.012 -17.257 1.00 0.00 C ATOM 2107 NE ARG A 145 0.256 11.110 -17.477 1.00 0.00 N ATOM 2108 CZ ARG A 145 1.570 11.079 -17.226 1.00 0.00 C ATOM 2109 NH1 ARG A 145 2.188 9.923 -17.014 1.00 0.00 N ATOM 2110 NH2 ARG A 145 2.255 12.215 -17.165 1.00 0.00 N ATOM 0 H ARG A 145 -2.342 7.924 -12.670 1.00 0.00 H new ATOM 0 HA ARG A 145 -2.950 10.112 -14.578 1.00 0.00 H new ATOM 0 HB2 ARG A 145 -1.409 7.602 -15.182 1.00 0.00 H new ATOM 0 HB3 ARG A 145 -2.406 8.392 -16.387 1.00 0.00 H new ATOM 0 HG2 ARG A 145 -0.733 10.384 -15.131 1.00 0.00 H new ATOM 0 HG3 ARG A 145 0.271 9.027 -15.602 1.00 0.00 H new ATOM 0 HD2 ARG A 145 -0.466 9.182 -17.923 1.00 0.00 H new ATOM 0 HD3 ARG A 145 -1.708 10.349 -17.512 1.00 0.00 H new ATOM 0 HE ARG A 145 -0.119 11.979 -17.858 1.00 0.00 H new ATOM 0 HH11 ARG A 145 1.661 9.050 -17.042 1.00 0.00 H new ATOM 0 HH12 ARG A 145 3.190 9.908 -16.823 1.00 0.00 H new ATOM 0 HH21 ARG A 145 1.779 13.106 -17.309 1.00 0.00 H new ATOM 0 HH22 ARG A 145 3.257 12.197 -16.974 1.00 0.00 H new TER 2124 ARG A 145