USER MOD reduce.3.24.130724 H: found=0, std=0, add=927, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 924 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: B 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: B 21 ASN : amide:sc= -0.0126 X(o=-0.013,f=-0.23) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 140:sc= 0 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 11 MET CE :methyl 147:sc= -2.79! (180deg=-6.14!) USER MOD Single : A 14 SER OG : rot 77:sc= 0.874 USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 20 GLN :FLIP amide:sc= -1.69 F(o=-3.2!,f=-1.7) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 GLN : amide:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 23 MET CE :methyl -146:sc= -3.99! (180deg=-8.18!) USER MOD Single : A 33 GLN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 35 MET CE :methyl -172:sc= -5.81! (180deg=-6.26!) USER MOD Single : A 36 HIS : no HD1:sc= -2.38! C(o=-2.4!,f=-3.8!) USER MOD Single : A 38 THR OG1 : rot -170:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 163:sc= -12.5! (180deg=-13.1!) USER MOD Single : A 44 THR OG1 : rot 180:sc= -1.54 USER MOD Single : A 46 MET CE :methyl -149:sc= -0.6 (180deg=-2.67) USER MOD Single : A 52 ASN :FLIP amide:sc= -0.493 F(o=-1.9!,f=-0.49) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 57 HIS : no HD1:sc= 0 X(o=0,f=-0.0028) USER MOD Single : A 58 MET CE :methyl -154:sc= -0.102 (180deg=-0.557) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ -175:sc= -1.97! (180deg=-2.04!) USER MOD Single : A 77 GLN : amide:sc= -0.0276 X(o=-0.028,f=0) USER MOD Single : A 79 HIS : no HD1:sc= -0.0827 X(o=-0.083,f=0) USER MOD Single : A 80 GLN : amide:sc= -0.162 K(o=-0.16,f=-0.91) USER MOD Single : A 82 LYS NZ :NH3+ -136:sc= -0.123 (180deg=-0.702) USER MOD Single : A 86 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 ASN : amide:sc=-0.00339 X(o=-0.0034,f=0) USER MOD Single : A 91 SER OG : rot 180:sc= 0.011 USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 THR OG1 : rot 180:sc= -0.415 USER MOD Single : B 1 VAL N :NH3+ 129:sc= 0.00602 (180deg=-0.121) USER MOD Single : B 3 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.000296) USER MOD Single : B 4 SER OG : rot 180:sc= -0.019 USER MOD Single : B 5 ASN : amide:sc= 0 X(o=0,f=-0.075) USER MOD Single : B 7 ASN :FLIP amide:sc= 0 F(o=-2.1!,f=0) USER MOD Single : B 9 ASN : amide:sc= -0.0256 X(o=-0.026,f=0) USER MOD Single : B 11 LYS NZ :NH3+ -157:sc= -0.0328 (180deg=-0.223) USER MOD Single : B 19 TYR OH : rot 130:sc= -0.0483 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -7.605 -23.489 -1.719 1.00 0.00 N ATOM 2 CA GLY A 1 -7.329 -22.134 -1.168 1.00 0.00 C ATOM 3 C GLY A 1 -7.426 -21.047 -2.224 1.00 0.00 C ATOM 4 O GLY A 1 -6.436 -20.738 -2.887 1.00 0.00 O ATOM 0 H1 GLY A 1 -7.526 -24.195 -0.960 1.00 0.00 H new ATOM 0 H2 GLY A 1 -8.566 -23.513 -2.116 1.00 0.00 H new ATOM 0 H3 GLY A 1 -6.916 -23.707 -2.467 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -8.035 -21.921 -0.365 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -6.332 -22.120 -0.727 1.00 0.00 H new ATOM 10 N PRO A 2 -8.616 -20.446 -2.406 1.00 0.00 N ATOM 11 CA PRO A 2 -8.820 -19.386 -3.398 1.00 0.00 C ATOM 12 C PRO A 2 -8.177 -18.068 -2.979 1.00 0.00 C ATOM 13 O PRO A 2 -8.335 -17.623 -1.843 1.00 0.00 O ATOM 14 CB PRO A 2 -10.342 -19.244 -3.453 1.00 0.00 C ATOM 15 CG PRO A 2 -10.806 -19.674 -2.106 1.00 0.00 C ATOM 16 CD PRO A 2 -9.854 -20.750 -1.660 1.00 0.00 C ATOM 0 HA PRO A 2 -8.365 -19.631 -4.358 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -10.637 -18.216 -3.665 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -10.771 -19.867 -4.238 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -10.803 -18.837 -1.407 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -11.828 -20.051 -2.148 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -9.691 -20.720 -0.583 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -10.232 -21.744 -1.898 1.00 0.00 H new ATOM 24 N LEU A 3 -7.449 -17.448 -3.905 1.00 0.00 N ATOM 25 CA LEU A 3 -6.780 -16.182 -3.631 1.00 0.00 C ATOM 26 C LEU A 3 -7.648 -15.003 -4.061 1.00 0.00 C ATOM 27 O LEU A 3 -7.499 -14.478 -5.165 1.00 0.00 O ATOM 28 CB LEU A 3 -5.430 -16.127 -4.353 1.00 0.00 C ATOM 29 CG LEU A 3 -4.224 -16.584 -3.524 1.00 0.00 C ATOM 30 CD1 LEU A 3 -4.045 -15.696 -2.302 1.00 0.00 C ATOM 31 CD2 LEU A 3 -4.381 -18.040 -3.109 1.00 0.00 C ATOM 0 H LEU A 3 -7.308 -17.803 -4.851 1.00 0.00 H new ATOM 0 HA LEU A 3 -6.613 -16.114 -2.556 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -5.490 -16.746 -5.248 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -5.255 -15.103 -4.684 1.00 0.00 H new ATOM 0 HG LEU A 3 -3.331 -16.498 -4.143 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -3.184 -16.037 -1.727 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -3.883 -14.666 -2.621 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -4.939 -15.747 -1.681 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -3.515 -18.346 -2.522 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -5.284 -18.152 -2.510 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -4.456 -18.666 -3.998 1.00 0.00 H new ATOM 43 N GLY A 4 -8.554 -14.591 -3.179 1.00 0.00 N ATOM 44 CA GLY A 4 -9.432 -13.474 -3.481 1.00 0.00 C ATOM 45 C GLY A 4 -9.062 -12.224 -2.707 1.00 0.00 C ATOM 46 O GLY A 4 -9.811 -11.247 -2.697 1.00 0.00 O ATOM 0 H GLY A 4 -8.696 -15.011 -2.260 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -9.392 -13.262 -4.549 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -10.461 -13.751 -3.249 1.00 0.00 H new ATOM 50 N SER A 5 -7.902 -12.257 -2.057 1.00 0.00 N ATOM 51 CA SER A 5 -7.429 -11.121 -1.272 1.00 0.00 C ATOM 52 C SER A 5 -6.660 -10.117 -2.139 1.00 0.00 C ATOM 53 O SER A 5 -6.927 -8.916 -2.076 1.00 0.00 O ATOM 54 CB SER A 5 -6.546 -11.600 -0.118 1.00 0.00 C ATOM 55 OG SER A 5 -6.424 -10.601 0.880 1.00 0.00 O ATOM 0 H SER A 5 -7.272 -13.059 -2.058 1.00 0.00 H new ATOM 0 HA SER A 5 -8.305 -10.614 -0.867 1.00 0.00 H new ATOM 0 HB2 SER A 5 -6.971 -12.504 0.318 1.00 0.00 H new ATOM 0 HB3 SER A 5 -5.558 -11.863 -0.497 1.00 0.00 H new ATOM 0 HG SER A 5 -5.856 -10.932 1.607 1.00 0.00 H new ATOM 61 N PRO A 6 -5.689 -10.581 -2.958 1.00 0.00 N ATOM 62 CA PRO A 6 -4.895 -9.693 -3.818 1.00 0.00 C ATOM 63 C PRO A 6 -5.764 -8.853 -4.748 1.00 0.00 C ATOM 64 O PRO A 6 -5.340 -7.798 -5.220 1.00 0.00 O ATOM 65 CB PRO A 6 -4.012 -10.652 -4.631 1.00 0.00 C ATOM 66 CG PRO A 6 -4.632 -11.996 -4.465 1.00 0.00 C ATOM 67 CD PRO A 6 -5.280 -11.987 -3.113 1.00 0.00 C ATOM 0 HA PRO A 6 -4.326 -8.973 -3.230 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -3.979 -10.361 -5.681 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -2.985 -10.645 -4.266 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -5.366 -12.187 -5.248 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -3.881 -12.783 -4.533 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -6.133 -12.664 -3.069 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -4.587 -12.296 -2.330 1.00 0.00 H new ATOM 75 N LEU A 7 -6.978 -9.326 -5.010 1.00 0.00 N ATOM 76 CA LEU A 7 -7.904 -8.612 -5.884 1.00 0.00 C ATOM 77 C LEU A 7 -8.700 -7.574 -5.097 1.00 0.00 C ATOM 78 O LEU A 7 -9.764 -7.873 -4.555 1.00 0.00 O ATOM 79 CB LEU A 7 -8.857 -9.596 -6.568 1.00 0.00 C ATOM 80 CG LEU A 7 -8.217 -10.480 -7.640 1.00 0.00 C ATOM 81 CD1 LEU A 7 -9.173 -11.587 -8.057 1.00 0.00 C ATOM 82 CD2 LEU A 7 -7.805 -9.649 -8.845 1.00 0.00 C ATOM 0 H LEU A 7 -7.344 -10.199 -4.631 1.00 0.00 H new ATOM 0 HA LEU A 7 -7.322 -8.096 -6.647 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -9.300 -10.238 -5.806 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -9.672 -9.032 -7.023 1.00 0.00 H new ATOM 0 HG LEU A 7 -7.322 -10.937 -7.218 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -8.702 -12.206 -8.820 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -9.418 -12.202 -7.191 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -10.086 -11.147 -8.459 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -7.352 -10.296 -9.596 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -8.683 -9.162 -9.268 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -7.084 -8.892 -8.536 1.00 0.00 H new ATOM 94 N THR A 8 -8.196 -6.344 -5.077 1.00 0.00 N ATOM 95 CA THR A 8 -8.842 -5.257 -4.355 1.00 0.00 C ATOM 96 C THR A 8 -9.867 -4.562 -5.238 1.00 0.00 C ATOM 97 O THR A 8 -10.910 -4.122 -4.758 1.00 0.00 O ATOM 98 CB THR A 8 -7.798 -4.246 -3.877 1.00 0.00 C ATOM 99 OG1 THR A 8 -8.426 -3.098 -3.331 1.00 0.00 O ATOM 100 CG2 THR A 8 -6.865 -3.782 -4.975 1.00 0.00 C ATOM 0 H THR A 8 -7.337 -6.076 -5.556 1.00 0.00 H new ATOM 0 HA THR A 8 -9.354 -5.678 -3.490 1.00 0.00 H new ATOM 0 HB THR A 8 -7.211 -4.771 -3.124 1.00 0.00 H new ATOM 0 HG1 THR A 8 -7.936 -2.805 -2.534 1.00 0.00 H new ATOM 0 HG21 THR A 8 -6.151 -3.067 -4.567 1.00 0.00 H new ATOM 0 HG22 THR A 8 -6.328 -4.639 -5.383 1.00 0.00 H new ATOM 0 HG23 THR A 8 -7.443 -3.306 -5.767 1.00 0.00 H new ATOM 108 N ALA A 9 -9.572 -4.478 -6.533 1.00 0.00 N ATOM 109 CA ALA A 9 -10.501 -3.882 -7.482 1.00 0.00 C ATOM 110 C ALA A 9 -11.830 -4.621 -7.428 1.00 0.00 C ATOM 111 O ALA A 9 -12.899 -4.021 -7.550 1.00 0.00 O ATOM 112 CB ALA A 9 -9.924 -3.915 -8.890 1.00 0.00 C ATOM 0 H ALA A 9 -8.701 -4.814 -6.945 1.00 0.00 H new ATOM 0 HA ALA A 9 -10.665 -2.839 -7.212 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -10.633 -3.465 -9.585 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -8.989 -3.356 -8.913 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -9.736 -4.948 -9.182 1.00 0.00 H new ATOM 118 N SER A 10 -11.748 -5.929 -7.201 1.00 0.00 N ATOM 119 CA SER A 10 -12.934 -6.758 -7.068 1.00 0.00 C ATOM 120 C SER A 10 -13.622 -6.471 -5.741 1.00 0.00 C ATOM 121 O SER A 10 -14.850 -6.437 -5.664 1.00 0.00 O ATOM 122 CB SER A 10 -12.564 -8.240 -7.162 1.00 0.00 C ATOM 123 OG SER A 10 -13.681 -9.021 -7.553 1.00 0.00 O ATOM 0 H SER A 10 -10.868 -6.436 -7.106 1.00 0.00 H new ATOM 0 HA SER A 10 -13.620 -6.521 -7.882 1.00 0.00 H new ATOM 0 HB2 SER A 10 -11.755 -8.371 -7.881 1.00 0.00 H new ATOM 0 HB3 SER A 10 -12.193 -8.587 -6.198 1.00 0.00 H new ATOM 0 HG SER A 10 -13.418 -9.964 -7.607 1.00 0.00 H new ATOM 129 N MET A 11 -12.822 -6.223 -4.703 1.00 0.00 N ATOM 130 CA MET A 11 -13.370 -5.898 -3.392 1.00 0.00 C ATOM 131 C MET A 11 -14.126 -4.581 -3.445 1.00 0.00 C ATOM 132 O MET A 11 -15.150 -4.420 -2.789 1.00 0.00 O ATOM 133 CB MET A 11 -12.269 -5.797 -2.341 1.00 0.00 C ATOM 134 CG MET A 11 -11.313 -6.979 -2.340 1.00 0.00 C ATOM 135 SD MET A 11 -10.827 -7.481 -0.679 1.00 0.00 S ATOM 136 CE MET A 11 -9.337 -6.514 -0.458 1.00 0.00 C ATOM 0 H MET A 11 -11.803 -6.241 -4.746 1.00 0.00 H new ATOM 0 HA MET A 11 -14.050 -6.703 -3.114 1.00 0.00 H new ATOM 0 HB2 MET A 11 -11.701 -4.882 -2.510 1.00 0.00 H new ATOM 0 HB3 MET A 11 -12.727 -5.711 -1.356 1.00 0.00 H new ATOM 0 HG2 MET A 11 -11.784 -7.822 -2.846 1.00 0.00 H new ATOM 0 HG3 MET A 11 -10.422 -6.720 -2.912 1.00 0.00 H new ATOM 0 HE1 MET A 11 -9.238 -6.233 0.590 1.00 0.00 H new ATOM 0 HE2 MET A 11 -8.472 -7.105 -0.758 1.00 0.00 H new ATOM 0 HE3 MET A 11 -9.393 -5.615 -1.071 1.00 0.00 H new ATOM 146 N LEU A 12 -13.602 -3.635 -4.219 1.00 0.00 N ATOM 147 CA LEU A 12 -14.235 -2.335 -4.367 1.00 0.00 C ATOM 148 C LEU A 12 -15.693 -2.510 -4.768 1.00 0.00 C ATOM 149 O LEU A 12 -16.594 -1.951 -4.141 1.00 0.00 O ATOM 150 CB LEU A 12 -13.489 -1.507 -5.416 1.00 0.00 C ATOM 151 CG LEU A 12 -12.006 -1.254 -5.119 1.00 0.00 C ATOM 152 CD1 LEU A 12 -11.404 -0.333 -6.169 1.00 0.00 C ATOM 153 CD2 LEU A 12 -11.819 -0.669 -3.726 1.00 0.00 C ATOM 0 H LEU A 12 -12.740 -3.748 -4.752 1.00 0.00 H new ATOM 0 HA LEU A 12 -14.196 -1.808 -3.414 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -13.569 -2.013 -6.378 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -13.991 -0.545 -5.520 1.00 0.00 H new ATOM 0 HG LEU A 12 -11.486 -2.211 -5.155 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -10.351 -0.163 -5.944 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -11.495 -0.794 -7.153 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -11.934 0.619 -6.164 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -10.758 -0.500 -3.542 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -12.355 0.277 -3.654 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -12.209 -1.365 -2.984 1.00 0.00 H new ATOM 165 N ALA A 13 -15.915 -3.317 -5.799 1.00 0.00 N ATOM 166 CA ALA A 13 -17.263 -3.617 -6.260 1.00 0.00 C ATOM 167 C ALA A 13 -18.030 -4.417 -5.210 1.00 0.00 C ATOM 168 O ALA A 13 -19.261 -4.385 -5.168 1.00 0.00 O ATOM 169 CB ALA A 13 -17.209 -4.380 -7.575 1.00 0.00 C ATOM 0 H ALA A 13 -15.176 -3.776 -6.332 1.00 0.00 H new ATOM 0 HA ALA A 13 -17.790 -2.676 -6.421 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -18.223 -4.599 -7.910 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -16.701 -3.775 -8.326 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -16.664 -5.313 -7.432 1.00 0.00 H new ATOM 175 N SER A 14 -17.292 -5.148 -4.376 1.00 0.00 N ATOM 176 CA SER A 14 -17.898 -5.980 -3.339 1.00 0.00 C ATOM 177 C SER A 14 -17.817 -5.317 -1.965 1.00 0.00 C ATOM 178 O SER A 14 -18.043 -5.964 -0.942 1.00 0.00 O ATOM 179 CB SER A 14 -17.211 -7.347 -3.296 1.00 0.00 C ATOM 180 OG SER A 14 -17.066 -7.888 -4.598 1.00 0.00 O ATOM 0 H SER A 14 -16.273 -5.181 -4.399 1.00 0.00 H new ATOM 0 HA SER A 14 -18.951 -6.107 -3.589 1.00 0.00 H new ATOM 0 HB2 SER A 14 -16.231 -7.250 -2.828 1.00 0.00 H new ATOM 0 HB3 SER A 14 -17.793 -8.030 -2.678 1.00 0.00 H new ATOM 0 HG SER A 14 -16.319 -7.447 -5.054 1.00 0.00 H new ATOM 186 N ALA A 15 -17.524 -4.020 -1.948 1.00 0.00 N ATOM 187 CA ALA A 15 -17.422 -3.276 -0.697 1.00 0.00 C ATOM 188 C ALA A 15 -18.166 -1.939 -0.798 1.00 0.00 C ATOM 189 O ALA A 15 -17.564 -0.873 -0.659 1.00 0.00 O ATOM 190 CB ALA A 15 -15.964 -3.047 -0.340 1.00 0.00 C ATOM 0 H ALA A 15 -17.353 -3.463 -2.785 1.00 0.00 H new ATOM 0 HA ALA A 15 -17.887 -3.865 0.093 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -15.901 -2.491 0.595 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -15.462 -4.008 -0.225 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -15.480 -2.478 -1.134 1.00 0.00 H new ATOM 196 N PRO A 16 -19.493 -1.978 -1.049 1.00 0.00 N ATOM 197 CA PRO A 16 -20.309 -0.765 -1.218 1.00 0.00 C ATOM 198 C PRO A 16 -20.219 0.222 -0.042 1.00 0.00 C ATOM 199 O PRO A 16 -20.019 1.417 -0.262 1.00 0.00 O ATOM 200 CB PRO A 16 -21.735 -1.305 -1.363 1.00 0.00 C ATOM 201 CG PRO A 16 -21.564 -2.695 -1.870 1.00 0.00 C ATOM 202 CD PRO A 16 -20.289 -3.205 -1.259 1.00 0.00 C ATOM 0 HA PRO A 16 -19.963 -0.183 -2.072 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -22.262 -1.294 -0.409 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -22.319 -0.700 -2.056 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -22.410 -3.321 -1.586 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -21.508 -2.709 -2.958 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -20.475 -3.729 -0.321 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -19.779 -3.906 -1.920 1.00 0.00 H new ATOM 210 N PRO A 17 -20.402 -0.233 1.219 1.00 0.00 N ATOM 211 CA PRO A 17 -20.361 0.662 2.385 1.00 0.00 C ATOM 212 C PRO A 17 -18.974 1.245 2.627 1.00 0.00 C ATOM 213 O PRO A 17 -18.129 1.252 1.732 1.00 0.00 O ATOM 214 CB PRO A 17 -20.769 -0.242 3.552 1.00 0.00 C ATOM 215 CG PRO A 17 -20.427 -1.618 3.099 1.00 0.00 C ATOM 216 CD PRO A 17 -20.662 -1.632 1.616 1.00 0.00 C ATOM 0 HA PRO A 17 -21.012 1.525 2.250 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -20.231 0.020 4.463 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -21.833 -0.150 3.772 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -19.390 -1.860 3.333 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -21.048 -2.360 3.600 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -19.991 -2.326 1.109 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -21.680 -1.937 1.373 1.00 0.00 H new ATOM 224 N GLN A 18 -18.764 1.773 3.833 1.00 0.00 N ATOM 225 CA GLN A 18 -17.476 2.349 4.210 1.00 0.00 C ATOM 226 C GLN A 18 -16.447 1.250 4.470 1.00 0.00 C ATOM 227 O GLN A 18 -15.853 1.181 5.547 1.00 0.00 O ATOM 228 CB GLN A 18 -17.630 3.230 5.451 1.00 0.00 C ATOM 229 CG GLN A 18 -17.757 4.712 5.133 1.00 0.00 C ATOM 230 CD GLN A 18 -18.934 5.361 5.835 1.00 0.00 C ATOM 231 OE1 GLN A 18 -19.878 5.821 5.192 1.00 0.00 O ATOM 232 NE2 GLN A 18 -18.884 5.401 7.161 1.00 0.00 N ATOM 0 H GLN A 18 -19.472 1.813 4.566 1.00 0.00 H new ATOM 0 HA GLN A 18 -17.122 2.964 3.383 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -18.511 2.909 6.007 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -16.769 3.079 6.103 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -16.839 5.222 5.424 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -17.865 4.841 4.056 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -18.082 5.007 7.653 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -19.648 5.825 7.688 1.00 0.00 H new ATOM 241 N GLU A 19 -16.255 0.387 3.480 1.00 0.00 N ATOM 242 CA GLU A 19 -15.314 -0.719 3.588 1.00 0.00 C ATOM 243 C GLU A 19 -13.951 -0.319 3.036 1.00 0.00 C ATOM 244 O GLU A 19 -13.075 -1.163 2.849 1.00 0.00 O ATOM 245 CB GLU A 19 -15.859 -1.927 2.821 1.00 0.00 C ATOM 246 CG GLU A 19 -15.188 -3.242 3.177 1.00 0.00 C ATOM 247 CD GLU A 19 -15.791 -3.895 4.406 1.00 0.00 C ATOM 248 OE1 GLU A 19 -16.995 -3.682 4.660 1.00 0.00 O ATOM 249 OE2 GLU A 19 -15.060 -4.618 5.113 1.00 0.00 O ATOM 0 H GLU A 19 -16.744 0.434 2.586 1.00 0.00 H new ATOM 0 HA GLU A 19 -15.193 -0.980 4.639 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -16.928 -2.013 3.013 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -15.741 -1.749 1.752 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -15.267 -3.926 2.332 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -14.126 -3.068 3.348 1.00 0.00 H new ATOM 256 N GLN A 20 -13.782 0.976 2.778 1.00 0.00 N ATOM 257 CA GLN A 20 -12.532 1.494 2.229 1.00 0.00 C ATOM 258 C GLN A 20 -11.328 1.014 3.039 1.00 0.00 C ATOM 259 O GLN A 20 -10.391 0.440 2.489 1.00 0.00 O ATOM 260 CB GLN A 20 -12.578 3.033 2.153 1.00 0.00 C ATOM 261 CG GLN A 20 -11.861 3.758 3.283 1.00 0.00 C ATOM 262 CD GLN A 20 -12.777 4.072 4.449 1.00 0.00 C ATOM 263 OE1 GLN A 20 -12.269 3.902 5.664 1.00 0.00 O flip ATOM 264 NE2 GLN A 20 -13.929 4.466 4.260 1.00 0.00 N flip ATOM 0 H GLN A 20 -14.496 1.686 2.941 1.00 0.00 H new ATOM 0 HA GLN A 20 -12.416 1.105 1.217 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -12.141 3.348 1.205 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -13.621 3.350 2.143 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -11.030 3.145 3.633 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -11.434 4.685 2.901 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -14.279 4.583 3.309 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -14.533 4.676 5.055 1.00 0.00 H new ATOM 273 N LYS A 21 -11.385 1.196 4.351 1.00 0.00 N ATOM 274 CA LYS A 21 -10.282 0.812 5.223 1.00 0.00 C ATOM 275 C LYS A 21 -9.929 -0.664 5.062 1.00 0.00 C ATOM 276 O LYS A 21 -8.800 -1.069 5.330 1.00 0.00 O ATOM 277 CB LYS A 21 -10.636 1.105 6.682 1.00 0.00 C ATOM 278 CG LYS A 21 -12.127 1.032 6.980 1.00 0.00 C ATOM 279 CD LYS A 21 -12.463 -0.149 7.875 1.00 0.00 C ATOM 280 CE LYS A 21 -13.047 -1.304 7.079 1.00 0.00 C ATOM 281 NZ LYS A 21 -14.281 -1.848 7.712 1.00 0.00 N ATOM 0 H LYS A 21 -12.183 1.607 4.836 1.00 0.00 H new ATOM 0 HA LYS A 21 -9.411 1.401 4.935 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -10.112 0.396 7.323 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -10.271 2.099 6.942 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -12.448 1.956 7.461 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -12.682 0.950 6.045 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -11.564 -0.481 8.393 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -13.174 0.164 8.639 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -13.276 -0.969 6.067 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -12.304 -2.097 6.992 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -14.648 -2.634 7.138 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -14.058 -2.192 8.668 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -15.000 -1.099 7.772 1.00 0.00 H new ATOM 295 N GLN A 22 -10.903 -1.469 4.655 1.00 0.00 N ATOM 296 CA GLN A 22 -10.679 -2.898 4.463 1.00 0.00 C ATOM 297 C GLN A 22 -9.854 -3.177 3.207 1.00 0.00 C ATOM 298 O GLN A 22 -8.671 -3.512 3.288 1.00 0.00 O ATOM 299 CB GLN A 22 -12.013 -3.642 4.380 1.00 0.00 C ATOM 300 CG GLN A 22 -11.859 -5.122 4.073 1.00 0.00 C ATOM 301 CD GLN A 22 -11.727 -5.967 5.325 1.00 0.00 C ATOM 302 OE1 GLN A 22 -10.729 -5.887 6.039 1.00 0.00 O ATOM 303 NE2 GLN A 22 -12.739 -6.782 5.599 1.00 0.00 N ATOM 0 H GLN A 22 -11.853 -1.159 4.452 1.00 0.00 H new ATOM 0 HA GLN A 22 -10.117 -3.257 5.325 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -12.544 -3.528 5.325 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -12.631 -3.181 3.609 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -12.721 -5.462 3.499 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -10.980 -5.269 3.445 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -13.548 -6.817 4.979 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -12.707 -7.373 6.429 1.00 0.00 H new ATOM 312 N MET A 23 -10.505 -3.081 2.051 1.00 0.00 N ATOM 313 CA MET A 23 -9.866 -3.393 0.774 1.00 0.00 C ATOM 314 C MET A 23 -8.792 -2.376 0.387 1.00 0.00 C ATOM 315 O MET A 23 -7.639 -2.483 0.804 1.00 0.00 O ATOM 316 CB MET A 23 -10.913 -3.485 -0.348 1.00 0.00 C ATOM 317 CG MET A 23 -12.269 -2.889 0.003 1.00 0.00 C ATOM 318 SD MET A 23 -12.235 -1.088 0.070 1.00 0.00 S ATOM 319 CE MET A 23 -13.702 -0.676 -0.871 1.00 0.00 C ATOM 0 H MET A 23 -11.479 -2.788 1.971 1.00 0.00 H new ATOM 0 HA MET A 23 -9.376 -4.358 0.903 1.00 0.00 H new ATOM 0 HB2 MET A 23 -10.525 -2.978 -1.232 1.00 0.00 H new ATOM 0 HB3 MET A 23 -11.049 -4.533 -0.616 1.00 0.00 H new ATOM 0 HG2 MET A 23 -13.005 -3.208 -0.735 1.00 0.00 H new ATOM 0 HG3 MET A 23 -12.595 -3.279 0.967 1.00 0.00 H new ATOM 0 HE1 MET A 23 -13.532 0.248 -1.423 1.00 0.00 H new ATOM 0 HE2 MET A 23 -13.923 -1.481 -1.571 1.00 0.00 H new ATOM 0 HE3 MET A 23 -14.545 -0.544 -0.192 1.00 0.00 H new ATOM 329 N LEU A 24 -9.176 -1.427 -0.462 1.00 0.00 N ATOM 330 CA LEU A 24 -8.261 -0.428 -1.002 1.00 0.00 C ATOM 331 C LEU A 24 -7.592 0.416 0.075 1.00 0.00 C ATOM 332 O LEU A 24 -6.801 1.306 -0.240 1.00 0.00 O ATOM 333 CB LEU A 24 -9.035 0.478 -1.974 1.00 0.00 C ATOM 334 CG LEU A 24 -9.560 1.807 -1.408 1.00 0.00 C ATOM 335 CD1 LEU A 24 -10.394 2.527 -2.453 1.00 0.00 C ATOM 336 CD2 LEU A 24 -10.377 1.591 -0.153 1.00 0.00 C ATOM 0 H LEU A 24 -10.135 -1.330 -0.796 1.00 0.00 H new ATOM 0 HA LEU A 24 -7.460 -0.959 -1.518 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -8.386 0.701 -2.821 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -9.883 -0.086 -2.362 1.00 0.00 H new ATOM 0 HG LEU A 24 -8.699 2.422 -1.147 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -10.761 3.467 -2.041 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -9.781 2.730 -3.331 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -11.240 1.901 -2.738 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -10.732 2.552 0.220 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -11.230 0.952 -0.380 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -9.758 1.114 0.606 1.00 0.00 H new ATOM 348 N GLY A 25 -7.927 0.175 1.336 1.00 0.00 N ATOM 349 CA GLY A 25 -7.405 1.025 2.378 1.00 0.00 C ATOM 350 C GLY A 25 -7.961 2.411 2.188 1.00 0.00 C ATOM 351 O GLY A 25 -9.174 2.606 2.197 1.00 0.00 O ATOM 0 H GLY A 25 -8.539 -0.579 1.648 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -7.683 0.637 3.358 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -6.316 1.045 2.340 1.00 0.00 H new ATOM 355 N GLU A 26 -7.093 3.370 1.958 1.00 0.00 N ATOM 356 CA GLU A 26 -7.548 4.681 1.546 1.00 0.00 C ATOM 357 C GLU A 26 -7.943 4.610 0.072 1.00 0.00 C ATOM 358 O GLU A 26 -9.113 4.728 -0.290 1.00 0.00 O ATOM 359 CB GLU A 26 -6.464 5.732 1.771 1.00 0.00 C ATOM 360 CG GLU A 26 -6.672 6.550 3.035 1.00 0.00 C ATOM 361 CD GLU A 26 -6.789 5.689 4.276 1.00 0.00 C ATOM 362 OE1 GLU A 26 -5.741 5.300 4.831 1.00 0.00 O ATOM 363 OE2 GLU A 26 -7.932 5.399 4.692 1.00 0.00 O ATOM 0 H GLU A 26 -6.082 3.271 2.047 1.00 0.00 H new ATOM 0 HA GLU A 26 -8.409 4.977 2.145 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -5.494 5.238 1.822 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -6.435 6.403 0.913 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -5.839 7.243 3.156 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -7.575 7.152 2.929 1.00 0.00 H new ATOM 370 N ARG A 27 -6.929 4.397 -0.761 1.00 0.00 N ATOM 371 CA ARG A 27 -7.086 4.232 -2.201 1.00 0.00 C ATOM 372 C ARG A 27 -5.846 3.531 -2.743 1.00 0.00 C ATOM 373 O ARG A 27 -5.632 3.439 -3.948 1.00 0.00 O ATOM 374 CB ARG A 27 -7.252 5.599 -2.874 1.00 0.00 C ATOM 375 CG ARG A 27 -7.643 5.536 -4.346 1.00 0.00 C ATOM 376 CD ARG A 27 -8.553 4.357 -4.643 1.00 0.00 C ATOM 377 NE ARG A 27 -8.865 4.244 -6.066 1.00 0.00 N ATOM 378 CZ ARG A 27 -9.810 3.446 -6.556 1.00 0.00 C ATOM 379 NH1 ARG A 27 -10.546 2.706 -5.740 1.00 0.00 N ATOM 380 NH2 ARG A 27 -10.026 3.397 -7.863 1.00 0.00 N ATOM 0 H ARG A 27 -5.960 4.333 -0.449 1.00 0.00 H new ATOM 0 HA ARG A 27 -7.974 3.636 -2.412 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -8.010 6.166 -2.334 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -6.316 6.151 -2.783 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -8.145 6.462 -4.628 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -6.743 5.463 -4.957 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -8.076 3.438 -4.304 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -9.479 4.463 -4.077 1.00 0.00 H new ATOM 0 HE ARG A 27 -8.327 4.810 -6.722 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -10.389 2.747 -4.733 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -11.270 2.095 -6.119 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -9.467 3.971 -8.494 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -10.751 2.785 -8.238 1.00 0.00 H new ATOM 394 N LEU A 28 -5.031 3.048 -1.814 1.00 0.00 N ATOM 395 CA LEU A 28 -3.724 2.476 -2.119 1.00 0.00 C ATOM 396 C LEU A 28 -3.778 1.300 -3.090 1.00 0.00 C ATOM 397 O LEU A 28 -3.475 1.451 -4.274 1.00 0.00 O ATOM 398 CB LEU A 28 -3.066 2.012 -0.814 1.00 0.00 C ATOM 399 CG LEU A 28 -2.171 3.035 -0.115 1.00 0.00 C ATOM 400 CD1 LEU A 28 -0.977 3.383 -0.988 1.00 0.00 C ATOM 401 CD2 LEU A 28 -2.964 4.280 0.245 1.00 0.00 C ATOM 0 H LEU A 28 -5.259 3.042 -0.820 1.00 0.00 H new ATOM 0 HA LEU A 28 -3.146 3.260 -2.607 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -3.852 1.712 -0.121 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -2.472 1.123 -1.026 1.00 0.00 H new ATOM 0 HG LEU A 28 -1.797 2.594 0.809 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -0.351 4.113 -0.474 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -0.396 2.482 -1.186 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -1.326 3.804 -1.931 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -2.310 4.997 0.742 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -3.370 4.727 -0.662 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -3.781 4.010 0.914 1.00 0.00 H new ATOM 413 N PHE A 29 -4.070 0.120 -2.554 1.00 0.00 N ATOM 414 CA PHE A 29 -4.061 -1.128 -3.318 1.00 0.00 C ATOM 415 C PHE A 29 -4.498 -0.958 -4.782 1.00 0.00 C ATOM 416 O PHE A 29 -3.810 -1.436 -5.677 1.00 0.00 O ATOM 417 CB PHE A 29 -4.929 -2.180 -2.620 1.00 0.00 C ATOM 418 CG PHE A 29 -4.249 -3.512 -2.455 1.00 0.00 C ATOM 419 CD1 PHE A 29 -3.538 -4.083 -3.502 1.00 0.00 C ATOM 420 CD2 PHE A 29 -4.327 -4.197 -1.253 1.00 0.00 C ATOM 421 CE1 PHE A 29 -2.915 -5.307 -3.347 1.00 0.00 C ATOM 422 CE2 PHE A 29 -3.703 -5.420 -1.094 1.00 0.00 C ATOM 423 CZ PHE A 29 -3.004 -5.979 -2.146 1.00 0.00 C ATOM 0 H PHE A 29 -4.321 -0.001 -1.573 1.00 0.00 H new ATOM 0 HA PHE A 29 -3.024 -1.463 -3.349 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -5.219 -1.806 -1.638 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -5.847 -2.319 -3.192 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -3.471 -3.565 -4.447 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -4.882 -3.770 -0.431 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -2.358 -5.737 -4.166 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -3.762 -5.938 -0.148 1.00 0.00 H new ATOM 0 HZ PHE A 29 -2.528 -6.941 -2.028 1.00 0.00 H new ATOM 433 N PRO A 30 -5.641 -0.296 -5.058 1.00 0.00 N ATOM 434 CA PRO A 30 -6.150 -0.138 -6.431 1.00 0.00 C ATOM 435 C PRO A 30 -5.175 0.576 -7.371 1.00 0.00 C ATOM 436 O PRO A 30 -5.014 0.166 -8.524 1.00 0.00 O ATOM 437 CB PRO A 30 -7.432 0.688 -6.264 1.00 0.00 C ATOM 438 CG PRO A 30 -7.361 1.255 -4.889 1.00 0.00 C ATOM 439 CD PRO A 30 -6.560 0.284 -4.073 1.00 0.00 C ATOM 0 HA PRO A 30 -6.309 -1.112 -6.894 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -7.490 1.478 -7.012 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -8.319 0.066 -6.387 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -6.889 2.237 -4.898 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -8.359 1.384 -4.470 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -6.024 0.782 -3.265 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -7.193 -0.476 -3.615 1.00 0.00 H new ATOM 447 N LEU A 31 -4.501 1.620 -6.887 1.00 0.00 N ATOM 448 CA LEU A 31 -3.558 2.348 -7.744 1.00 0.00 C ATOM 449 C LEU A 31 -2.339 1.488 -8.012 1.00 0.00 C ATOM 450 O LEU A 31 -1.907 1.332 -9.157 1.00 0.00 O ATOM 451 CB LEU A 31 -3.107 3.672 -7.115 1.00 0.00 C ATOM 452 CG LEU A 31 -3.920 4.145 -5.918 1.00 0.00 C ATOM 453 CD1 LEU A 31 -3.004 4.558 -4.779 1.00 0.00 C ATOM 454 CD2 LEU A 31 -4.828 5.295 -6.315 1.00 0.00 C ATOM 0 H LEU A 31 -4.584 1.975 -5.934 1.00 0.00 H new ATOM 0 HA LEU A 31 -4.077 2.576 -8.675 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -2.066 3.571 -6.807 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -3.139 4.446 -7.881 1.00 0.00 H new ATOM 0 HG LEU A 31 -4.541 3.317 -5.575 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -3.604 4.893 -3.933 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -2.393 3.707 -4.477 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -2.357 5.370 -5.109 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -5.402 5.621 -5.448 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -4.225 6.124 -6.684 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -5.510 4.966 -7.099 1.00 0.00 H new ATOM 466 N ILE A 32 -1.800 0.910 -6.953 1.00 0.00 N ATOM 467 CA ILE A 32 -0.651 0.042 -7.083 1.00 0.00 C ATOM 468 C ILE A 32 -1.064 -1.285 -7.699 1.00 0.00 C ATOM 469 O ILE A 32 -0.223 -2.061 -8.135 1.00 0.00 O ATOM 470 CB ILE A 32 0.040 -0.211 -5.735 1.00 0.00 C ATOM 471 CG1 ILE A 32 -0.395 0.839 -4.706 1.00 0.00 C ATOM 472 CG2 ILE A 32 1.548 -0.194 -5.919 1.00 0.00 C ATOM 473 CD1 ILE A 32 0.249 0.673 -3.348 1.00 0.00 C ATOM 0 H ILE A 32 -2.140 1.027 -5.999 1.00 0.00 H new ATOM 0 HA ILE A 32 0.062 0.548 -7.734 1.00 0.00 H new ATOM 0 HB ILE A 32 -0.255 -1.192 -5.362 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -0.157 1.831 -5.091 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -1.478 0.793 -4.591 1.00 0.00 H new ATOM 0 HG21 ILE A 32 2.034 -0.374 -4.960 1.00 0.00 H new ATOM 0 HG22 ILE A 32 1.837 -0.973 -6.624 1.00 0.00 H new ATOM 0 HG23 ILE A 32 1.856 0.777 -6.305 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -0.110 1.454 -2.677 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -0.010 -0.304 -2.940 1.00 0.00 H new ATOM 0 HD13 ILE A 32 1.332 0.749 -3.447 1.00 0.00 H new ATOM 485 N GLN A 33 -2.370 -1.538 -7.734 1.00 0.00 N ATOM 486 CA GLN A 33 -2.882 -2.750 -8.360 1.00 0.00 C ATOM 487 C GLN A 33 -2.512 -2.724 -9.831 1.00 0.00 C ATOM 488 O GLN A 33 -2.096 -3.731 -10.401 1.00 0.00 O ATOM 489 CB GLN A 33 -4.398 -2.857 -8.184 1.00 0.00 C ATOM 490 CG GLN A 33 -5.032 -3.970 -9.002 1.00 0.00 C ATOM 491 CD GLN A 33 -4.680 -5.350 -8.482 1.00 0.00 C ATOM 492 OE1 GLN A 33 -4.685 -5.591 -7.275 1.00 0.00 O ATOM 493 NE2 GLN A 33 -4.370 -6.264 -9.394 1.00 0.00 N ATOM 0 H GLN A 33 -3.085 -0.926 -7.340 1.00 0.00 H new ATOM 0 HA GLN A 33 -2.438 -3.624 -7.883 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -4.622 -3.021 -7.130 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -4.855 -1.908 -8.463 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -6.115 -3.849 -8.995 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -4.708 -3.883 -10.039 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -4.379 -6.020 -10.384 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -4.123 -7.210 -9.104 1.00 0.00 H new ATOM 502 N ALA A 34 -2.593 -1.537 -10.414 1.00 0.00 N ATOM 503 CA ALA A 34 -2.159 -1.338 -11.788 1.00 0.00 C ATOM 504 C ALA A 34 -0.643 -1.498 -11.860 1.00 0.00 C ATOM 505 O ALA A 34 -0.097 -1.972 -12.856 1.00 0.00 O ATOM 506 CB ALA A 34 -2.584 0.031 -12.295 1.00 0.00 C ATOM 0 H ALA A 34 -2.954 -0.699 -9.958 1.00 0.00 H new ATOM 0 HA ALA A 34 -2.630 -2.085 -12.427 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -2.249 0.158 -13.324 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -3.670 0.113 -12.254 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -2.138 0.805 -11.670 1.00 0.00 H new ATOM 512 N MET A 35 0.021 -1.135 -10.760 1.00 0.00 N ATOM 513 CA MET A 35 1.472 -1.263 -10.646 1.00 0.00 C ATOM 514 C MET A 35 1.832 -2.498 -9.826 1.00 0.00 C ATOM 515 O MET A 35 2.875 -2.543 -9.170 1.00 0.00 O ATOM 516 CB MET A 35 2.058 -0.018 -9.979 1.00 0.00 C ATOM 517 CG MET A 35 1.422 1.272 -10.462 1.00 0.00 C ATOM 518 SD MET A 35 2.170 2.740 -9.739 1.00 0.00 S ATOM 519 CE MET A 35 0.712 3.741 -9.465 1.00 0.00 C ATOM 0 H MET A 35 -0.429 -0.747 -9.931 1.00 0.00 H new ATOM 0 HA MET A 35 1.890 -1.366 -11.647 1.00 0.00 H new ATOM 0 HB2 MET A 35 1.930 -0.097 -8.899 1.00 0.00 H new ATOM 0 HB3 MET A 35 3.130 0.019 -10.171 1.00 0.00 H new ATOM 0 HG2 MET A 35 1.504 1.327 -11.548 1.00 0.00 H new ATOM 0 HG3 MET A 35 0.359 1.258 -10.223 1.00 0.00 H new ATOM 0 HE1 MET A 35 1.011 4.742 -9.153 1.00 0.00 H new ATOM 0 HE2 MET A 35 0.136 3.806 -10.388 1.00 0.00 H new ATOM 0 HE3 MET A 35 0.099 3.286 -8.687 1.00 0.00 H new ATOM 529 N HIS A 36 0.946 -3.489 -9.855 1.00 0.00 N ATOM 530 CA HIS A 36 1.125 -4.709 -9.075 1.00 0.00 C ATOM 531 C HIS A 36 2.352 -5.528 -9.506 1.00 0.00 C ATOM 532 O HIS A 36 2.953 -6.189 -8.660 1.00 0.00 O ATOM 533 CB HIS A 36 -0.147 -5.563 -9.128 1.00 0.00 C ATOM 534 CG HIS A 36 -0.122 -6.654 -10.155 1.00 0.00 C ATOM 535 ND1 HIS A 36 -0.535 -6.433 -11.446 1.00 0.00 N ATOM 536 CD2 HIS A 36 0.259 -7.949 -10.025 1.00 0.00 C ATOM 537 CE1 HIS A 36 -0.391 -7.586 -12.075 1.00 0.00 C ATOM 538 NE2 HIS A 36 0.088 -8.532 -11.254 1.00 0.00 N ATOM 0 H HIS A 36 0.093 -3.470 -10.413 1.00 0.00 H new ATOM 0 HA HIS A 36 1.312 -4.402 -8.046 1.00 0.00 H new ATOM 0 HB2 HIS A 36 -0.311 -6.009 -8.147 1.00 0.00 H new ATOM 0 HB3 HIS A 36 -0.998 -4.912 -9.329 1.00 0.00 H new ATOM 0 HD2 HIS A 36 0.625 -8.427 -9.129 1.00 0.00 H new ATOM 0 HE1 HIS A 36 -0.628 -7.746 -13.116 1.00 0.00 H new ATOM 0 HE2 HIS A 36 0.287 -9.502 -11.498 1.00 0.00 H new ATOM 546 N PRO A 37 2.748 -5.518 -10.809 1.00 0.00 N ATOM 547 CA PRO A 37 3.917 -6.268 -11.278 1.00 0.00 C ATOM 548 C PRO A 37 5.034 -6.314 -10.239 1.00 0.00 C ATOM 549 O PRO A 37 5.726 -7.323 -10.102 1.00 0.00 O ATOM 550 CB PRO A 37 4.349 -5.475 -12.504 1.00 0.00 C ATOM 551 CG PRO A 37 3.073 -4.961 -13.079 1.00 0.00 C ATOM 552 CD PRO A 37 2.113 -4.784 -11.925 1.00 0.00 C ATOM 0 HA PRO A 37 3.689 -7.314 -11.482 1.00 0.00 H new ATOM 0 HB2 PRO A 37 5.020 -4.660 -12.234 1.00 0.00 H new ATOM 0 HB3 PRO A 37 4.882 -6.104 -13.217 1.00 0.00 H new ATOM 0 HG2 PRO A 37 3.235 -4.015 -13.595 1.00 0.00 H new ATOM 0 HG3 PRO A 37 2.671 -5.660 -13.813 1.00 0.00 H new ATOM 0 HD2 PRO A 37 1.974 -3.731 -11.681 1.00 0.00 H new ATOM 0 HD3 PRO A 37 1.129 -5.190 -12.160 1.00 0.00 H new ATOM 560 N THR A 38 5.180 -5.227 -9.485 1.00 0.00 N ATOM 561 CA THR A 38 6.163 -5.172 -8.412 1.00 0.00 C ATOM 562 C THR A 38 5.639 -5.922 -7.189 1.00 0.00 C ATOM 563 O THR A 38 5.904 -7.113 -7.026 1.00 0.00 O ATOM 564 CB THR A 38 6.487 -3.720 -8.050 1.00 0.00 C ATOM 565 OG1 THR A 38 6.865 -2.990 -9.204 1.00 0.00 O ATOM 566 CG2 THR A 38 7.605 -3.591 -7.038 1.00 0.00 C ATOM 0 H THR A 38 4.630 -4.375 -9.599 1.00 0.00 H new ATOM 0 HA THR A 38 7.081 -5.650 -8.754 1.00 0.00 H new ATOM 0 HB THR A 38 5.574 -3.320 -7.610 1.00 0.00 H new ATOM 0 HG1 THR A 38 7.218 -2.116 -8.937 1.00 0.00 H new ATOM 0 HG21 THR A 38 7.784 -2.537 -6.826 1.00 0.00 H new ATOM 0 HG22 THR A 38 7.324 -4.104 -6.118 1.00 0.00 H new ATOM 0 HG23 THR A 38 8.513 -4.039 -7.440 1.00 0.00 H new ATOM 574 N LEU A 39 4.877 -5.226 -6.344 1.00 0.00 N ATOM 575 CA LEU A 39 4.290 -5.845 -5.157 1.00 0.00 C ATOM 576 C LEU A 39 3.296 -4.906 -4.473 1.00 0.00 C ATOM 577 O LEU A 39 3.484 -4.529 -3.315 1.00 0.00 O ATOM 578 CB LEU A 39 5.387 -6.255 -4.170 1.00 0.00 C ATOM 579 CG LEU A 39 5.186 -7.615 -3.492 1.00 0.00 C ATOM 580 CD1 LEU A 39 3.908 -7.621 -2.666 1.00 0.00 C ATOM 581 CD2 LEU A 39 5.161 -8.732 -4.526 1.00 0.00 C ATOM 0 H LEU A 39 4.653 -4.238 -6.459 1.00 0.00 H new ATOM 0 HA LEU A 39 3.750 -6.735 -5.480 1.00 0.00 H new ATOM 0 HB2 LEU A 39 6.341 -6.268 -4.698 1.00 0.00 H new ATOM 0 HB3 LEU A 39 5.461 -5.490 -3.397 1.00 0.00 H new ATOM 0 HG LEU A 39 6.027 -7.788 -2.821 1.00 0.00 H new ATOM 0 HD11 LEU A 39 3.785 -8.596 -2.194 1.00 0.00 H new ATOM 0 HD12 LEU A 39 3.968 -6.850 -1.898 1.00 0.00 H new ATOM 0 HD13 LEU A 39 3.055 -7.422 -3.314 1.00 0.00 H new ATOM 0 HD21 LEU A 39 5.017 -9.689 -4.024 1.00 0.00 H new ATOM 0 HD22 LEU A 39 4.342 -8.562 -5.225 1.00 0.00 H new ATOM 0 HD23 LEU A 39 6.106 -8.746 -5.070 1.00 0.00 H new ATOM 593 N ALA A 40 2.226 -4.550 -5.185 1.00 0.00 N ATOM 594 CA ALA A 40 1.195 -3.665 -4.644 1.00 0.00 C ATOM 595 C ALA A 40 0.747 -4.109 -3.253 1.00 0.00 C ATOM 596 O ALA A 40 0.402 -3.282 -2.408 1.00 0.00 O ATOM 597 CB ALA A 40 -0.001 -3.619 -5.584 1.00 0.00 C ATOM 0 H ALA A 40 2.051 -4.862 -6.140 1.00 0.00 H new ATOM 0 HA ALA A 40 1.626 -2.668 -4.555 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -0.763 -2.957 -5.172 1.00 0.00 H new ATOM 0 HB2 ALA A 40 0.316 -3.245 -6.558 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -0.414 -4.621 -5.697 1.00 0.00 H new ATOM 603 N GLY A 41 0.754 -5.420 -3.033 1.00 0.00 N ATOM 604 CA GLY A 41 0.316 -5.981 -1.766 1.00 0.00 C ATOM 605 C GLY A 41 0.861 -5.261 -0.546 1.00 0.00 C ATOM 606 O GLY A 41 0.094 -4.814 0.304 1.00 0.00 O ATOM 0 H GLY A 41 1.059 -6.112 -3.718 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -0.773 -5.961 -1.730 1.00 0.00 H new ATOM 0 HA3 GLY A 41 0.617 -7.028 -1.721 1.00 0.00 H new ATOM 610 N LYS A 42 2.181 -5.211 -0.413 1.00 0.00 N ATOM 611 CA LYS A 42 2.797 -4.585 0.754 1.00 0.00 C ATOM 612 C LYS A 42 2.802 -3.061 0.660 1.00 0.00 C ATOM 613 O LYS A 42 2.645 -2.371 1.668 1.00 0.00 O ATOM 614 CB LYS A 42 4.228 -5.096 0.955 1.00 0.00 C ATOM 615 CG LYS A 42 4.912 -4.528 2.197 1.00 0.00 C ATOM 616 CD LYS A 42 3.980 -4.508 3.398 1.00 0.00 C ATOM 617 CE LYS A 42 4.094 -3.204 4.167 1.00 0.00 C ATOM 618 NZ LYS A 42 2.763 -2.697 4.589 1.00 0.00 N ATOM 0 H LYS A 42 2.841 -5.592 -1.091 1.00 0.00 H new ATOM 0 HA LYS A 42 2.189 -4.864 1.615 1.00 0.00 H new ATOM 0 HB2 LYS A 42 4.210 -6.184 1.026 1.00 0.00 H new ATOM 0 HB3 LYS A 42 4.822 -4.844 0.076 1.00 0.00 H new ATOM 0 HG2 LYS A 42 5.793 -5.125 2.431 1.00 0.00 H new ATOM 0 HG3 LYS A 42 5.259 -3.516 1.990 1.00 0.00 H new ATOM 0 HD2 LYS A 42 2.952 -4.647 3.065 1.00 0.00 H new ATOM 0 HD3 LYS A 42 4.216 -5.343 4.058 1.00 0.00 H new ATOM 0 HE2 LYS A 42 4.722 -3.353 5.045 1.00 0.00 H new ATOM 0 HE3 LYS A 42 4.588 -2.457 3.546 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 2.884 -1.986 5.338 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 2.282 -2.264 3.775 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 2.190 -3.486 4.950 1.00 0.00 H new ATOM 632 N ILE A 43 2.991 -2.541 -0.544 1.00 0.00 N ATOM 633 CA ILE A 43 3.066 -1.095 -0.750 1.00 0.00 C ATOM 634 C ILE A 43 1.855 -0.384 -0.153 1.00 0.00 C ATOM 635 O ILE A 43 2.009 0.537 0.649 1.00 0.00 O ATOM 636 CB ILE A 43 3.185 -0.737 -2.240 1.00 0.00 C ATOM 637 CG1 ILE A 43 4.251 -1.605 -2.911 1.00 0.00 C ATOM 638 CG2 ILE A 43 3.517 0.739 -2.399 1.00 0.00 C ATOM 639 CD1 ILE A 43 4.214 -1.545 -4.421 1.00 0.00 C ATOM 0 H ILE A 43 3.096 -3.095 -1.394 1.00 0.00 H new ATOM 0 HA ILE A 43 3.966 -0.755 -0.237 1.00 0.00 H new ATOM 0 HB ILE A 43 2.229 -0.931 -2.726 1.00 0.00 H new ATOM 0 HG12 ILE A 43 5.236 -1.289 -2.567 1.00 0.00 H new ATOM 0 HG13 ILE A 43 4.119 -2.639 -2.593 1.00 0.00 H new ATOM 0 HG21 ILE A 43 3.599 0.981 -3.459 1.00 0.00 H new ATOM 0 HG22 ILE A 43 2.727 1.340 -1.949 1.00 0.00 H new ATOM 0 HG23 ILE A 43 4.464 0.954 -1.903 1.00 0.00 H new ATOM 0 HD11 ILE A 43 4.997 -2.184 -4.830 1.00 0.00 H new ATOM 0 HD12 ILE A 43 3.242 -1.890 -4.775 1.00 0.00 H new ATOM 0 HD13 ILE A 43 4.376 -0.518 -4.748 1.00 0.00 H new ATOM 651 N THR A 44 0.652 -0.815 -0.534 1.00 0.00 N ATOM 652 CA THR A 44 -0.570 -0.240 0.011 1.00 0.00 C ATOM 653 C THR A 44 -0.470 -0.160 1.527 1.00 0.00 C ATOM 654 O THR A 44 -0.801 0.858 2.134 1.00 0.00 O ATOM 655 CB THR A 44 -1.777 -1.098 -0.383 1.00 0.00 C ATOM 656 OG1 THR A 44 -2.964 -0.605 0.210 1.00 0.00 O ATOM 657 CG2 THR A 44 -1.639 -2.542 0.030 1.00 0.00 C ATOM 0 H THR A 44 0.502 -1.558 -1.216 1.00 0.00 H new ATOM 0 HA THR A 44 -0.700 0.763 -0.395 1.00 0.00 H new ATOM 0 HB THR A 44 -1.823 -1.042 -1.471 1.00 0.00 H new ATOM 0 HG1 THR A 44 -3.721 -1.167 -0.057 1.00 0.00 H new ATOM 0 HG21 THR A 44 -2.526 -3.095 -0.278 1.00 0.00 H new ATOM 0 HG22 THR A 44 -0.759 -2.974 -0.446 1.00 0.00 H new ATOM 0 HG23 THR A 44 -1.532 -2.602 1.113 1.00 0.00 H new ATOM 665 N GLY A 45 0.045 -1.232 2.116 1.00 0.00 N ATOM 666 CA GLY A 45 0.203 -1.307 3.555 1.00 0.00 C ATOM 667 C GLY A 45 0.933 -0.120 4.149 1.00 0.00 C ATOM 668 O GLY A 45 0.354 0.651 4.909 1.00 0.00 O ATOM 0 H GLY A 45 0.360 -2.062 1.614 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -0.781 -1.385 4.016 1.00 0.00 H new ATOM 0 HA3 GLY A 45 0.746 -2.219 3.805 1.00 0.00 H new ATOM 672 N MET A 46 2.213 0.019 3.817 1.00 0.00 N ATOM 673 CA MET A 46 3.038 1.088 4.372 1.00 0.00 C ATOM 674 C MET A 46 2.426 2.467 4.131 1.00 0.00 C ATOM 675 O MET A 46 2.350 3.285 5.048 1.00 0.00 O ATOM 676 CB MET A 46 4.452 1.034 3.784 1.00 0.00 C ATOM 677 CG MET A 46 4.518 0.471 2.372 1.00 0.00 C ATOM 678 SD MET A 46 5.683 -0.897 2.216 1.00 0.00 S ATOM 679 CE MET A 46 7.183 -0.147 2.845 1.00 0.00 C ATOM 0 H MET A 46 2.702 -0.595 3.166 1.00 0.00 H new ATOM 0 HA MET A 46 3.088 0.930 5.449 1.00 0.00 H new ATOM 0 HB2 MET A 46 4.872 2.040 3.782 1.00 0.00 H new ATOM 0 HB3 MET A 46 5.081 0.427 4.435 1.00 0.00 H new ATOM 0 HG2 MET A 46 3.526 0.132 2.075 1.00 0.00 H new ATOM 0 HG3 MET A 46 4.804 1.265 1.682 1.00 0.00 H new ATOM 0 HE1 MET A 46 8.047 -0.587 2.346 1.00 0.00 H new ATOM 0 HE2 MET A 46 7.161 0.926 2.654 1.00 0.00 H new ATOM 0 HE3 MET A 46 7.256 -0.323 3.918 1.00 0.00 H new ATOM 689 N LEU A 47 1.999 2.728 2.900 1.00 0.00 N ATOM 690 CA LEU A 47 1.421 4.026 2.560 1.00 0.00 C ATOM 691 C LEU A 47 -0.039 4.124 3.002 1.00 0.00 C ATOM 692 O LEU A 47 -0.704 5.126 2.740 1.00 0.00 O ATOM 693 CB LEU A 47 1.522 4.287 1.053 1.00 0.00 C ATOM 694 CG LEU A 47 2.937 4.521 0.508 1.00 0.00 C ATOM 695 CD1 LEU A 47 3.654 5.597 1.311 1.00 0.00 C ATOM 696 CD2 LEU A 47 3.737 3.228 0.511 1.00 0.00 C ATOM 0 H LEU A 47 2.041 2.065 2.126 1.00 0.00 H new ATOM 0 HA LEU A 47 1.993 4.784 3.095 1.00 0.00 H new ATOM 0 HB2 LEU A 47 1.086 3.438 0.527 1.00 0.00 H new ATOM 0 HB3 LEU A 47 0.912 5.158 0.813 1.00 0.00 H new ATOM 0 HG LEU A 47 2.850 4.866 -0.522 1.00 0.00 H new ATOM 0 HD11 LEU A 47 4.655 5.746 0.907 1.00 0.00 H new ATOM 0 HD12 LEU A 47 3.095 6.531 1.249 1.00 0.00 H new ATOM 0 HD13 LEU A 47 3.726 5.286 2.353 1.00 0.00 H new ATOM 0 HD21 LEU A 47 4.737 3.418 0.121 1.00 0.00 H new ATOM 0 HD22 LEU A 47 3.811 2.849 1.530 1.00 0.00 H new ATOM 0 HD23 LEU A 47 3.237 2.489 -0.116 1.00 0.00 H new ATOM 708 N LEU A 48 -0.537 3.086 3.672 1.00 0.00 N ATOM 709 CA LEU A 48 -1.922 3.081 4.139 1.00 0.00 C ATOM 710 C LEU A 48 -2.140 4.147 5.208 1.00 0.00 C ATOM 711 O LEU A 48 -3.275 4.476 5.548 1.00 0.00 O ATOM 712 CB LEU A 48 -2.321 1.697 4.671 1.00 0.00 C ATOM 713 CG LEU A 48 -3.706 1.199 4.240 1.00 0.00 C ATOM 714 CD1 LEU A 48 -4.692 2.347 4.082 1.00 0.00 C ATOM 715 CD2 LEU A 48 -3.598 0.411 2.948 1.00 0.00 C ATOM 0 H LEU A 48 -0.008 2.245 3.902 1.00 0.00 H new ATOM 0 HA LEU A 48 -2.560 3.314 3.287 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -1.575 0.972 4.344 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -2.285 1.721 5.760 1.00 0.00 H new ATOM 0 HG LEU A 48 -4.086 0.547 5.026 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -5.662 1.954 3.776 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -4.796 2.871 5.032 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -4.326 3.040 3.324 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -4.587 0.062 2.651 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -3.188 1.050 2.165 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -2.941 -0.446 3.098 1.00 0.00 H new ATOM 727 N GLU A 49 -1.046 4.717 5.705 1.00 0.00 N ATOM 728 CA GLU A 49 -1.128 5.774 6.705 1.00 0.00 C ATOM 729 C GLU A 49 -1.496 7.103 6.051 1.00 0.00 C ATOM 730 O GLU A 49 -1.330 8.169 6.645 1.00 0.00 O ATOM 731 CB GLU A 49 0.203 5.904 7.448 1.00 0.00 C ATOM 732 CG GLU A 49 0.483 4.751 8.397 1.00 0.00 C ATOM 733 CD GLU A 49 0.557 5.194 9.845 1.00 0.00 C ATOM 734 OE1 GLU A 49 1.595 5.767 10.238 1.00 0.00 O ATOM 735 OE2 GLU A 49 -0.424 4.971 10.586 1.00 0.00 O ATOM 0 H GLU A 49 -0.096 4.465 5.432 1.00 0.00 H new ATOM 0 HA GLU A 49 -1.907 5.512 7.421 1.00 0.00 H new ATOM 0 HB2 GLU A 49 1.012 5.969 6.720 1.00 0.00 H new ATOM 0 HB3 GLU A 49 0.206 6.837 8.012 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -0.299 3.999 8.290 1.00 0.00 H new ATOM 0 HG3 GLU A 49 1.423 4.275 8.118 1.00 0.00 H new ATOM 742 N ILE A 50 -1.998 7.026 4.821 1.00 0.00 N ATOM 743 CA ILE A 50 -2.385 8.213 4.067 1.00 0.00 C ATOM 744 C ILE A 50 -3.799 8.666 4.442 1.00 0.00 C ATOM 745 O ILE A 50 -4.590 7.887 4.974 1.00 0.00 O ATOM 746 CB ILE A 50 -2.290 7.950 2.545 1.00 0.00 C ATOM 747 CG1 ILE A 50 -1.530 9.084 1.856 1.00 0.00 C ATOM 748 CG2 ILE A 50 -3.667 7.777 1.919 1.00 0.00 C ATOM 749 CD1 ILE A 50 -0.916 8.676 0.536 1.00 0.00 C ATOM 0 H ILE A 50 -2.147 6.148 4.324 1.00 0.00 H new ATOM 0 HA ILE A 50 -1.691 9.013 4.325 1.00 0.00 H new ATOM 0 HB ILE A 50 -1.743 7.018 2.403 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -2.210 9.920 1.690 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -0.743 9.441 2.520 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -3.560 7.594 0.850 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -4.174 6.931 2.383 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -4.254 8.682 2.075 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -0.392 9.527 0.100 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -0.212 7.860 0.699 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -1.701 8.347 -0.144 1.00 0.00 H new ATOM 761 N ASP A 51 -4.098 9.934 4.176 1.00 0.00 N ATOM 762 CA ASP A 51 -5.405 10.505 4.499 1.00 0.00 C ATOM 763 C ASP A 51 -6.500 9.965 3.587 1.00 0.00 C ATOM 764 O ASP A 51 -6.226 9.465 2.497 1.00 0.00 O ATOM 765 CB ASP A 51 -5.354 12.026 4.371 1.00 0.00 C ATOM 766 CG ASP A 51 -4.753 12.691 5.594 1.00 0.00 C ATOM 767 OD1 ASP A 51 -3.509 12.799 5.661 1.00 0.00 O ATOM 768 OD2 ASP A 51 -5.525 13.107 6.483 1.00 0.00 O ATOM 0 H ASP A 51 -3.452 10.589 3.736 1.00 0.00 H new ATOM 0 HA ASP A 51 -5.642 10.220 5.524 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -4.769 12.294 3.491 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -6.362 12.408 4.212 1.00 0.00 H new ATOM 773 N ASN A 52 -7.749 10.118 4.025 1.00 0.00 N ATOM 774 CA ASN A 52 -8.898 9.692 3.234 1.00 0.00 C ATOM 775 C ASN A 52 -9.275 10.777 2.229 1.00 0.00 C ATOM 776 O ASN A 52 -9.807 10.493 1.156 1.00 0.00 O ATOM 777 CB ASN A 52 -10.092 9.380 4.140 1.00 0.00 C ATOM 778 CG ASN A 52 -10.234 7.896 4.431 1.00 0.00 C ATOM 779 OD1 ASN A 52 -11.006 7.197 3.602 1.00 0.00 O flip ATOM 780 ND2 ASN A 52 -9.667 7.385 5.397 1.00 0.00 N flip ATOM 0 H ASN A 52 -7.989 10.534 4.925 1.00 0.00 H new ATOM 0 HA ASN A 52 -8.627 8.785 2.694 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -9.981 9.921 5.080 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -11.005 9.743 3.669 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -9.084 7.957 6.008 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -9.780 6.389 5.587 1.00 0.00 H new ATOM 787 N SER A 53 -8.987 12.024 2.581 1.00 0.00 N ATOM 788 CA SER A 53 -9.263 13.146 1.693 1.00 0.00 C ATOM 789 C SER A 53 -8.258 13.163 0.549 1.00 0.00 C ATOM 790 O SER A 53 -8.600 13.470 -0.596 1.00 0.00 O ATOM 791 CB SER A 53 -9.204 14.465 2.465 1.00 0.00 C ATOM 792 OG SER A 53 -9.173 15.573 1.583 1.00 0.00 O ATOM 0 H SER A 53 -8.564 12.283 3.472 1.00 0.00 H new ATOM 0 HA SER A 53 -10.266 13.029 1.283 1.00 0.00 H new ATOM 0 HB2 SER A 53 -10.070 14.544 3.122 1.00 0.00 H new ATOM 0 HB3 SER A 53 -8.319 14.478 3.101 1.00 0.00 H new ATOM 0 HG SER A 53 -9.137 16.403 2.102 1.00 0.00 H new ATOM 798 N GLU A 54 -7.020 12.801 0.865 1.00 0.00 N ATOM 799 CA GLU A 54 -5.958 12.761 -0.129 1.00 0.00 C ATOM 800 C GLU A 54 -6.106 11.535 -1.026 1.00 0.00 C ATOM 801 O GLU A 54 -5.628 11.524 -2.161 1.00 0.00 O ATOM 802 CB GLU A 54 -4.585 12.779 0.560 1.00 0.00 C ATOM 803 CG GLU A 54 -3.851 11.445 0.553 1.00 0.00 C ATOM 804 CD GLU A 54 -2.527 11.515 -0.181 1.00 0.00 C ATOM 805 OE1 GLU A 54 -1.540 11.990 0.419 1.00 0.00 O ATOM 806 OE2 GLU A 54 -2.475 11.096 -1.356 1.00 0.00 O ATOM 0 H GLU A 54 -6.728 12.531 1.804 1.00 0.00 H new ATOM 0 HA GLU A 54 -6.036 13.647 -0.760 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -3.958 13.525 0.071 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -4.717 13.100 1.593 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -3.677 11.124 1.580 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -4.482 10.689 0.086 1.00 0.00 H new ATOM 813 N LEU A 55 -6.782 10.504 -0.517 1.00 0.00 N ATOM 814 CA LEU A 55 -7.006 9.289 -1.291 1.00 0.00 C ATOM 815 C LEU A 55 -7.840 9.605 -2.525 1.00 0.00 C ATOM 816 O LEU A 55 -7.496 9.210 -3.639 1.00 0.00 O ATOM 817 CB LEU A 55 -7.675 8.205 -0.425 1.00 0.00 C ATOM 818 CG LEU A 55 -9.213 8.185 -0.402 1.00 0.00 C ATOM 819 CD1 LEU A 55 -9.781 7.475 -1.624 1.00 0.00 C ATOM 820 CD2 LEU A 55 -9.709 7.509 0.866 1.00 0.00 C ATOM 0 H LEU A 55 -7.180 10.488 0.422 1.00 0.00 H new ATOM 0 HA LEU A 55 -6.043 8.897 -1.619 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -7.328 7.232 -0.772 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -7.322 8.323 0.599 1.00 0.00 H new ATOM 0 HG LEU A 55 -9.559 9.218 -0.421 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -10.870 7.480 -1.574 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -9.457 7.991 -2.528 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -9.423 6.446 -1.646 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -10.799 7.501 0.871 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -9.338 6.485 0.901 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -9.346 8.056 1.736 1.00 0.00 H new ATOM 832 N LEU A 56 -8.918 10.352 -2.318 1.00 0.00 N ATOM 833 CA LEU A 56 -9.797 10.748 -3.409 1.00 0.00 C ATOM 834 C LEU A 56 -9.020 11.523 -4.467 1.00 0.00 C ATOM 835 O LEU A 56 -9.176 11.283 -5.666 1.00 0.00 O ATOM 836 CB LEU A 56 -10.950 11.600 -2.877 1.00 0.00 C ATOM 837 CG LEU A 56 -11.890 12.161 -3.947 1.00 0.00 C ATOM 838 CD1 LEU A 56 -12.724 11.045 -4.557 1.00 0.00 C ATOM 839 CD2 LEU A 56 -12.787 13.241 -3.359 1.00 0.00 C ATOM 0 H LEU A 56 -9.204 10.696 -1.401 1.00 0.00 H new ATOM 0 HA LEU A 56 -10.205 9.847 -3.867 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -11.535 10.999 -2.181 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -10.534 12.432 -2.308 1.00 0.00 H new ATOM 0 HG LEU A 56 -11.287 12.611 -4.735 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -13.387 11.460 -5.316 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -12.065 10.307 -5.015 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -13.318 10.567 -3.778 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -13.448 13.627 -4.135 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -13.384 12.818 -2.551 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -12.172 14.052 -2.969 1.00 0.00 H new ATOM 851 N HIS A 57 -8.169 12.440 -4.014 1.00 0.00 N ATOM 852 CA HIS A 57 -7.353 13.239 -4.923 1.00 0.00 C ATOM 853 C HIS A 57 -6.489 12.343 -5.805 1.00 0.00 C ATOM 854 O HIS A 57 -6.352 12.583 -7.004 1.00 0.00 O ATOM 855 CB HIS A 57 -6.468 14.204 -4.132 1.00 0.00 C ATOM 856 CG HIS A 57 -6.473 15.601 -4.672 1.00 0.00 C ATOM 857 ND1 HIS A 57 -5.423 16.088 -5.413 1.00 0.00 N ATOM 858 CD2 HIS A 57 -7.418 16.567 -4.554 1.00 0.00 C ATOM 859 CE1 HIS A 57 -5.746 17.330 -5.727 1.00 0.00 C ATOM 860 NE2 HIS A 57 -6.944 17.663 -5.228 1.00 0.00 N ATOM 0 H HIS A 57 -8.027 12.648 -3.026 1.00 0.00 H new ATOM 0 HA HIS A 57 -8.021 13.814 -5.564 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -6.802 14.223 -3.095 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -5.445 13.828 -4.130 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -8.360 16.488 -4.031 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -5.124 17.992 -6.311 1.00 0.00 H new ATOM 0 HE2 HIS A 57 -7.415 18.562 -5.330 1.00 0.00 H new ATOM 868 N MET A 58 -5.912 11.308 -5.204 1.00 0.00 N ATOM 869 CA MET A 58 -5.086 10.356 -5.941 1.00 0.00 C ATOM 870 C MET A 58 -5.903 9.683 -7.035 1.00 0.00 C ATOM 871 O MET A 58 -5.450 9.542 -8.170 1.00 0.00 O ATOM 872 CB MET A 58 -4.523 9.297 -4.990 1.00 0.00 C ATOM 873 CG MET A 58 -3.580 9.861 -3.942 1.00 0.00 C ATOM 874 SD MET A 58 -1.900 10.066 -4.561 1.00 0.00 S ATOM 875 CE MET A 58 -1.688 11.836 -4.385 1.00 0.00 C ATOM 0 H MET A 58 -6.001 11.106 -4.208 1.00 0.00 H new ATOM 0 HA MET A 58 -4.259 10.898 -6.400 1.00 0.00 H new ATOM 0 HB2 MET A 58 -5.350 8.794 -4.489 1.00 0.00 H new ATOM 0 HB3 MET A 58 -3.996 8.541 -5.572 1.00 0.00 H new ATOM 0 HG2 MET A 58 -3.957 10.825 -3.600 1.00 0.00 H new ATOM 0 HG3 MET A 58 -3.566 9.198 -3.077 1.00 0.00 H new ATOM 0 HE1 MET A 58 -0.950 12.188 -5.106 1.00 0.00 H new ATOM 0 HE2 MET A 58 -2.639 12.336 -4.566 1.00 0.00 H new ATOM 0 HE3 MET A 58 -1.345 12.063 -3.375 1.00 0.00 H new ATOM 885 N LEU A 59 -7.119 9.284 -6.683 1.00 0.00 N ATOM 886 CA LEU A 59 -8.014 8.636 -7.627 1.00 0.00 C ATOM 887 C LEU A 59 -8.471 9.617 -8.699 1.00 0.00 C ATOM 888 O LEU A 59 -8.971 9.218 -9.750 1.00 0.00 O ATOM 889 CB LEU A 59 -9.225 8.060 -6.884 1.00 0.00 C ATOM 890 CG LEU A 59 -10.197 7.235 -7.732 1.00 0.00 C ATOM 891 CD1 LEU A 59 -9.446 6.331 -8.701 1.00 0.00 C ATOM 892 CD2 LEU A 59 -11.108 6.411 -6.834 1.00 0.00 C ATOM 0 H LEU A 59 -7.507 9.399 -5.747 1.00 0.00 H new ATOM 0 HA LEU A 59 -7.475 7.824 -8.116 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -8.863 7.434 -6.068 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -9.776 8.885 -6.432 1.00 0.00 H new ATOM 0 HG LEU A 59 -10.807 7.923 -8.318 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -10.160 5.757 -9.291 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -8.833 6.940 -9.366 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -8.806 5.649 -8.141 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -11.795 5.829 -7.448 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -10.506 5.737 -6.225 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -11.677 7.076 -6.185 1.00 0.00 H new ATOM 904 N GLU A 60 -8.284 10.906 -8.430 1.00 0.00 N ATOM 905 CA GLU A 60 -8.668 11.942 -9.377 1.00 0.00 C ATOM 906 C GLU A 60 -7.438 12.559 -10.040 1.00 0.00 C ATOM 907 O GLU A 60 -7.555 13.461 -10.872 1.00 0.00 O ATOM 908 CB GLU A 60 -9.497 13.025 -8.672 1.00 0.00 C ATOM 909 CG GLU A 60 -8.671 14.163 -8.088 1.00 0.00 C ATOM 910 CD GLU A 60 -8.866 15.469 -8.833 1.00 0.00 C ATOM 911 OE1 GLU A 60 -9.371 15.433 -9.975 1.00 0.00 O ATOM 912 OE2 GLU A 60 -8.512 16.529 -8.274 1.00 0.00 O ATOM 0 H GLU A 60 -7.870 11.255 -7.566 1.00 0.00 H new ATOM 0 HA GLU A 60 -9.278 11.484 -10.156 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -10.213 13.438 -9.382 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -10.073 12.562 -7.871 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -8.941 14.303 -7.041 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -7.616 13.890 -8.111 1.00 0.00 H new ATOM 919 N SER A 61 -6.259 12.067 -9.667 1.00 0.00 N ATOM 920 CA SER A 61 -5.008 12.574 -10.217 1.00 0.00 C ATOM 921 C SER A 61 -4.169 11.444 -10.808 1.00 0.00 C ATOM 922 O SER A 61 -3.259 10.936 -10.158 1.00 0.00 O ATOM 923 CB SER A 61 -4.207 13.297 -9.131 1.00 0.00 C ATOM 924 OG SER A 61 -4.692 14.613 -8.929 1.00 0.00 O ATOM 0 H SER A 61 -6.146 11.317 -8.985 1.00 0.00 H new ATOM 0 HA SER A 61 -5.253 13.276 -11.014 1.00 0.00 H new ATOM 0 HB2 SER A 61 -4.266 12.737 -8.198 1.00 0.00 H new ATOM 0 HB3 SER A 61 -3.155 13.333 -9.414 1.00 0.00 H new ATOM 0 HG SER A 61 -4.165 15.052 -8.229 1.00 0.00 H new ATOM 930 N PRO A 62 -4.455 11.039 -12.056 1.00 0.00 N ATOM 931 CA PRO A 62 -3.703 9.972 -12.723 1.00 0.00 C ATOM 932 C PRO A 62 -2.215 10.298 -12.820 1.00 0.00 C ATOM 933 O PRO A 62 -1.366 9.410 -12.735 1.00 0.00 O ATOM 934 CB PRO A 62 -4.326 9.902 -14.121 1.00 0.00 C ATOM 935 CG PRO A 62 -5.667 10.537 -13.981 1.00 0.00 C ATOM 936 CD PRO A 62 -5.518 11.586 -12.916 1.00 0.00 C ATOM 0 HA PRO A 62 -3.761 9.031 -12.176 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -3.714 10.430 -14.852 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -4.412 8.871 -14.463 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -5.989 10.980 -14.923 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -6.420 9.801 -13.701 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -5.239 12.552 -13.337 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -6.446 11.735 -12.364 1.00 0.00 H new ATOM 944 N GLU A 63 -1.912 11.578 -13.013 1.00 0.00 N ATOM 945 CA GLU A 63 -0.532 12.033 -13.142 1.00 0.00 C ATOM 946 C GLU A 63 0.164 12.132 -11.786 1.00 0.00 C ATOM 947 O GLU A 63 1.299 11.682 -11.629 1.00 0.00 O ATOM 948 CB GLU A 63 -0.491 13.393 -13.841 1.00 0.00 C ATOM 949 CG GLU A 63 -1.277 13.435 -15.141 1.00 0.00 C ATOM 950 CD GLU A 63 -1.395 14.837 -15.705 1.00 0.00 C ATOM 951 OE1 GLU A 63 -0.363 15.538 -15.771 1.00 0.00 O ATOM 952 OE2 GLU A 63 -2.519 15.236 -16.077 1.00 0.00 O ATOM 0 H GLU A 63 -2.607 12.321 -13.084 1.00 0.00 H new ATOM 0 HA GLU A 63 0.002 11.294 -13.740 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -0.884 14.152 -13.164 1.00 0.00 H new ATOM 0 HB3 GLU A 63 0.547 13.655 -14.046 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -0.793 12.791 -15.875 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -2.275 13.030 -14.971 1.00 0.00 H new ATOM 959 N SER A 64 -0.503 12.759 -10.820 1.00 0.00 N ATOM 960 CA SER A 64 0.079 12.958 -9.496 1.00 0.00 C ATOM 961 C SER A 64 0.156 11.653 -8.712 1.00 0.00 C ATOM 962 O SER A 64 1.215 11.284 -8.204 1.00 0.00 O ATOM 963 CB SER A 64 -0.740 13.985 -8.710 1.00 0.00 C ATOM 964 OG SER A 64 -0.833 15.211 -9.415 1.00 0.00 O ATOM 0 H SER A 64 -1.444 13.137 -10.929 1.00 0.00 H new ATOM 0 HA SER A 64 1.095 13.328 -9.635 1.00 0.00 H new ATOM 0 HB2 SER A 64 -1.740 13.592 -8.524 1.00 0.00 H new ATOM 0 HB3 SER A 64 -0.278 14.155 -7.737 1.00 0.00 H new ATOM 0 HG SER A 64 -1.362 15.849 -8.893 1.00 0.00 H new ATOM 970 N LEU A 65 -0.975 10.968 -8.606 1.00 0.00 N ATOM 971 CA LEU A 65 -1.054 9.720 -7.857 1.00 0.00 C ATOM 972 C LEU A 65 -0.072 8.686 -8.398 1.00 0.00 C ATOM 973 O LEU A 65 0.810 8.234 -7.671 1.00 0.00 O ATOM 974 CB LEU A 65 -2.499 9.192 -7.886 1.00 0.00 C ATOM 975 CG LEU A 65 -2.731 7.705 -7.549 1.00 0.00 C ATOM 976 CD1 LEU A 65 -2.731 6.869 -8.818 1.00 0.00 C ATOM 977 CD2 LEU A 65 -1.727 7.162 -6.541 1.00 0.00 C ATOM 0 H LEU A 65 -1.855 11.258 -9.032 1.00 0.00 H new ATOM 0 HA LEU A 65 -0.773 9.912 -6.822 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -3.087 9.789 -7.189 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -2.902 9.376 -8.882 1.00 0.00 H new ATOM 0 HG LEU A 65 -3.710 7.636 -7.075 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -2.896 5.822 -8.564 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -3.527 7.212 -9.479 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -1.770 6.973 -9.322 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -1.941 6.112 -6.344 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -0.719 7.257 -6.944 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -1.801 7.728 -5.612 1.00 0.00 H new ATOM 989 N ARG A 66 -0.240 8.286 -9.654 1.00 0.00 N ATOM 990 CA ARG A 66 0.631 7.269 -10.234 1.00 0.00 C ATOM 991 C ARG A 66 2.098 7.614 -10.002 1.00 0.00 C ATOM 992 O ARG A 66 2.926 6.727 -9.799 1.00 0.00 O ATOM 993 CB ARG A 66 0.360 7.099 -11.727 1.00 0.00 C ATOM 994 CG ARG A 66 0.898 5.790 -12.283 1.00 0.00 C ATOM 995 CD ARG A 66 2.148 6.014 -13.120 1.00 0.00 C ATOM 996 NE ARG A 66 2.437 4.877 -13.990 1.00 0.00 N ATOM 997 CZ ARG A 66 2.644 4.983 -15.300 1.00 0.00 C ATOM 998 NH1 ARG A 66 2.595 6.170 -15.889 1.00 0.00 N ATOM 999 NH2 ARG A 66 2.901 3.900 -16.021 1.00 0.00 N ATOM 0 H ARG A 66 -0.960 8.644 -10.282 1.00 0.00 H new ATOM 0 HA ARG A 66 0.413 6.324 -9.736 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -0.714 7.148 -11.904 1.00 0.00 H new ATOM 0 HB3 ARG A 66 0.810 7.930 -12.269 1.00 0.00 H new ATOM 0 HG2 ARG A 66 1.125 5.110 -11.462 1.00 0.00 H new ATOM 0 HG3 ARG A 66 0.132 5.309 -12.892 1.00 0.00 H new ATOM 0 HD2 ARG A 66 2.022 6.911 -13.726 1.00 0.00 H new ATOM 0 HD3 ARG A 66 2.998 6.191 -12.461 1.00 0.00 H new ATOM 0 HE ARG A 66 2.483 3.949 -13.569 1.00 0.00 H new ATOM 0 HH11 ARG A 66 2.398 7.005 -15.338 1.00 0.00 H new ATOM 0 HH12 ARG A 66 2.754 6.248 -16.893 1.00 0.00 H new ATOM 0 HH21 ARG A 66 2.940 2.985 -15.571 1.00 0.00 H new ATOM 0 HH22 ARG A 66 3.060 3.982 -17.025 1.00 0.00 H new ATOM 1013 N SER A 67 2.410 8.908 -10.010 1.00 0.00 N ATOM 1014 CA SER A 67 3.770 9.364 -9.753 1.00 0.00 C ATOM 1015 C SER A 67 4.137 9.130 -8.293 1.00 0.00 C ATOM 1016 O SER A 67 5.265 8.747 -7.973 1.00 0.00 O ATOM 1017 CB SER A 67 3.911 10.847 -10.096 1.00 0.00 C ATOM 1018 OG SER A 67 5.208 11.136 -10.588 1.00 0.00 O ATOM 0 H SER A 67 1.740 9.656 -10.191 1.00 0.00 H new ATOM 0 HA SER A 67 4.450 8.793 -10.385 1.00 0.00 H new ATOM 0 HB2 SER A 67 3.166 11.123 -10.842 1.00 0.00 H new ATOM 0 HB3 SER A 67 3.713 11.449 -9.209 1.00 0.00 H new ATOM 0 HG SER A 67 5.272 12.090 -10.802 1.00 0.00 H new ATOM 1024 N LYS A 68 3.166 9.343 -7.411 1.00 0.00 N ATOM 1025 CA LYS A 68 3.371 9.136 -5.985 1.00 0.00 C ATOM 1026 C LYS A 68 3.610 7.661 -5.694 1.00 0.00 C ATOM 1027 O LYS A 68 4.656 7.285 -5.166 1.00 0.00 O ATOM 1028 CB LYS A 68 2.161 9.633 -5.191 1.00 0.00 C ATOM 1029 CG LYS A 68 2.497 9.998 -3.756 1.00 0.00 C ATOM 1030 CD LYS A 68 1.827 9.059 -2.770 1.00 0.00 C ATOM 1031 CE LYS A 68 0.527 9.644 -2.252 1.00 0.00 C ATOM 1032 NZ LYS A 68 0.761 10.791 -1.332 1.00 0.00 N ATOM 0 H LYS A 68 2.229 9.659 -7.661 1.00 0.00 H new ATOM 0 HA LYS A 68 4.249 9.705 -5.679 1.00 0.00 H new ATOM 0 HB2 LYS A 68 1.739 10.504 -5.692 1.00 0.00 H new ATOM 0 HB3 LYS A 68 1.392 8.861 -5.192 1.00 0.00 H new ATOM 0 HG2 LYS A 68 3.577 9.965 -3.615 1.00 0.00 H new ATOM 0 HG3 LYS A 68 2.181 11.022 -3.557 1.00 0.00 H new ATOM 0 HD2 LYS A 68 1.631 8.101 -3.252 1.00 0.00 H new ATOM 0 HD3 LYS A 68 2.500 8.864 -1.935 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -0.084 9.972 -3.093 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -0.037 8.870 -1.731 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -0.146 11.108 -0.934 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 1.392 10.494 -0.561 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 1.201 11.573 -1.857 1.00 0.00 H new ATOM 1046 N VAL A 69 2.647 6.827 -6.071 1.00 0.00 N ATOM 1047 CA VAL A 69 2.762 5.390 -5.869 1.00 0.00 C ATOM 1048 C VAL A 69 3.937 4.830 -6.667 1.00 0.00 C ATOM 1049 O VAL A 69 4.454 3.756 -6.360 1.00 0.00 O ATOM 1050 CB VAL A 69 1.457 4.659 -6.244 1.00 0.00 C ATOM 1051 CG1 VAL A 69 1.684 3.164 -6.394 1.00 0.00 C ATOM 1052 CG2 VAL A 69 0.389 4.928 -5.197 1.00 0.00 C ATOM 0 H VAL A 69 1.779 7.123 -6.518 1.00 0.00 H new ATOM 0 HA VAL A 69 2.945 5.218 -4.808 1.00 0.00 H new ATOM 0 HB VAL A 69 1.119 5.043 -7.206 1.00 0.00 H new ATOM 0 HG11 VAL A 69 0.745 2.678 -6.659 1.00 0.00 H new ATOM 0 HG12 VAL A 69 2.419 2.985 -7.179 1.00 0.00 H new ATOM 0 HG13 VAL A 69 2.051 2.755 -5.453 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -0.529 4.407 -5.471 1.00 0.00 H new ATOM 0 HG22 VAL A 69 0.733 4.571 -4.226 1.00 0.00 H new ATOM 0 HG23 VAL A 69 0.196 5.999 -5.141 1.00 0.00 H new ATOM 1062 N ASP A 70 4.388 5.583 -7.666 1.00 0.00 N ATOM 1063 CA ASP A 70 5.553 5.180 -8.440 1.00 0.00 C ATOM 1064 C ASP A 70 6.726 4.967 -7.494 1.00 0.00 C ATOM 1065 O ASP A 70 7.379 3.923 -7.510 1.00 0.00 O ATOM 1066 CB ASP A 70 5.902 6.241 -9.483 1.00 0.00 C ATOM 1067 CG ASP A 70 7.030 5.807 -10.398 1.00 0.00 C ATOM 1068 OD1 ASP A 70 7.053 4.622 -10.793 1.00 0.00 O ATOM 1069 OD2 ASP A 70 7.892 6.652 -10.721 1.00 0.00 O ATOM 0 H ASP A 70 3.968 6.466 -7.955 1.00 0.00 H new ATOM 0 HA ASP A 70 5.331 4.251 -8.966 1.00 0.00 H new ATOM 0 HB2 ASP A 70 5.018 6.462 -10.081 1.00 0.00 H new ATOM 0 HB3 ASP A 70 6.184 7.164 -8.977 1.00 0.00 H new ATOM 1074 N GLU A 71 6.949 5.946 -6.626 1.00 0.00 N ATOM 1075 CA GLU A 71 7.989 5.839 -5.616 1.00 0.00 C ATOM 1076 C GLU A 71 7.601 4.786 -4.587 1.00 0.00 C ATOM 1077 O GLU A 71 8.456 4.201 -3.924 1.00 0.00 O ATOM 1078 CB GLU A 71 8.208 7.182 -4.922 1.00 0.00 C ATOM 1079 CG GLU A 71 9.485 7.233 -4.100 1.00 0.00 C ATOM 1080 CD GLU A 71 10.466 8.270 -4.607 1.00 0.00 C ATOM 1081 OE1 GLU A 71 10.877 8.175 -5.783 1.00 0.00 O ATOM 1082 OE2 GLU A 71 10.827 9.177 -3.828 1.00 0.00 O ATOM 0 H GLU A 71 6.424 6.820 -6.603 1.00 0.00 H new ATOM 0 HA GLU A 71 8.918 5.546 -6.105 1.00 0.00 H new ATOM 0 HB2 GLU A 71 8.236 7.971 -5.673 1.00 0.00 H new ATOM 0 HB3 GLU A 71 7.358 7.390 -4.273 1.00 0.00 H new ATOM 0 HG2 GLU A 71 9.235 7.452 -3.062 1.00 0.00 H new ATOM 0 HG3 GLU A 71 9.960 6.252 -4.113 1.00 0.00 H new ATOM 1089 N ALA A 72 6.297 4.555 -4.465 1.00 0.00 N ATOM 1090 CA ALA A 72 5.774 3.571 -3.528 1.00 0.00 C ATOM 1091 C ALA A 72 6.238 2.168 -3.901 1.00 0.00 C ATOM 1092 O ALA A 72 6.659 1.400 -3.038 1.00 0.00 O ATOM 1093 CB ALA A 72 4.259 3.646 -3.473 1.00 0.00 C ATOM 0 H ALA A 72 5.582 5.040 -5.007 1.00 0.00 H new ATOM 0 HA ALA A 72 6.164 3.798 -2.536 1.00 0.00 H new ATOM 0 HB1 ALA A 72 3.883 2.904 -2.768 1.00 0.00 H new ATOM 0 HB2 ALA A 72 3.956 4.641 -3.148 1.00 0.00 H new ATOM 0 HB3 ALA A 72 3.849 3.446 -4.463 1.00 0.00 H new ATOM 1099 N VAL A 73 6.183 1.837 -5.190 1.00 0.00 N ATOM 1100 CA VAL A 73 6.664 0.539 -5.646 1.00 0.00 C ATOM 1101 C VAL A 73 8.147 0.412 -5.331 1.00 0.00 C ATOM 1102 O VAL A 73 8.650 -0.676 -5.051 1.00 0.00 O ATOM 1103 CB VAL A 73 6.429 0.316 -7.159 1.00 0.00 C ATOM 1104 CG1 VAL A 73 5.047 0.804 -7.576 1.00 0.00 C ATOM 1105 CG2 VAL A 73 7.513 0.989 -7.991 1.00 0.00 C ATOM 0 H VAL A 73 5.816 2.441 -5.925 1.00 0.00 H new ATOM 0 HA VAL A 73 6.095 -0.226 -5.118 1.00 0.00 H new ATOM 0 HB VAL A 73 6.480 -0.757 -7.346 1.00 0.00 H new ATOM 0 HG11 VAL A 73 4.908 0.635 -8.644 1.00 0.00 H new ATOM 0 HG12 VAL A 73 4.285 0.257 -7.020 1.00 0.00 H new ATOM 0 HG13 VAL A 73 4.957 1.869 -7.362 1.00 0.00 H new ATOM 0 HG21 VAL A 73 7.320 0.814 -9.050 1.00 0.00 H new ATOM 0 HG22 VAL A 73 7.510 2.061 -7.794 1.00 0.00 H new ATOM 0 HG23 VAL A 73 8.485 0.574 -7.726 1.00 0.00 H new ATOM 1115 N ALA A 74 8.825 1.555 -5.327 1.00 0.00 N ATOM 1116 CA ALA A 74 10.248 1.608 -5.019 1.00 0.00 C ATOM 1117 C ALA A 74 10.506 1.272 -3.551 1.00 0.00 C ATOM 1118 O ALA A 74 11.487 0.602 -3.227 1.00 0.00 O ATOM 1119 CB ALA A 74 10.812 2.980 -5.357 1.00 0.00 C ATOM 0 H ALA A 74 8.408 2.462 -5.535 1.00 0.00 H new ATOM 0 HA ALA A 74 10.754 0.860 -5.630 1.00 0.00 H new ATOM 0 HB1 ALA A 74 11.876 3.004 -5.121 1.00 0.00 H new ATOM 0 HB2 ALA A 74 10.671 3.180 -6.419 1.00 0.00 H new ATOM 0 HB3 ALA A 74 10.294 3.740 -4.773 1.00 0.00 H new ATOM 1125 N VAL A 75 9.624 1.740 -2.665 1.00 0.00 N ATOM 1126 CA VAL A 75 9.766 1.463 -1.235 1.00 0.00 C ATOM 1127 C VAL A 75 9.779 -0.043 -0.993 1.00 0.00 C ATOM 1128 O VAL A 75 10.500 -0.540 -0.127 1.00 0.00 O ATOM 1129 CB VAL A 75 8.643 2.123 -0.393 1.00 0.00 C ATOM 1130 CG1 VAL A 75 8.198 3.434 -1.020 1.00 0.00 C ATOM 1131 CG2 VAL A 75 7.453 1.187 -0.218 1.00 0.00 C ATOM 0 H VAL A 75 8.812 2.307 -2.909 1.00 0.00 H new ATOM 0 HA VAL A 75 10.713 1.897 -0.914 1.00 0.00 H new ATOM 0 HB VAL A 75 9.054 2.331 0.595 1.00 0.00 H new ATOM 0 HG11 VAL A 75 7.410 3.879 -0.412 1.00 0.00 H new ATOM 0 HG12 VAL A 75 9.045 4.118 -1.073 1.00 0.00 H new ATOM 0 HG13 VAL A 75 7.819 3.247 -2.025 1.00 0.00 H new ATOM 0 HG21 VAL A 75 6.685 1.682 0.377 1.00 0.00 H new ATOM 0 HG22 VAL A 75 7.045 0.930 -1.196 1.00 0.00 H new ATOM 0 HG23 VAL A 75 7.776 0.279 0.290 1.00 0.00 H new ATOM 1141 N LEU A 76 8.995 -0.760 -1.791 1.00 0.00 N ATOM 1142 CA LEU A 76 8.927 -2.211 -1.701 1.00 0.00 C ATOM 1143 C LEU A 76 10.236 -2.826 -2.178 1.00 0.00 C ATOM 1144 O LEU A 76 10.793 -3.712 -1.530 1.00 0.00 O ATOM 1145 CB LEU A 76 7.758 -2.731 -2.548 1.00 0.00 C ATOM 1146 CG LEU A 76 7.562 -4.252 -2.563 1.00 0.00 C ATOM 1147 CD1 LEU A 76 8.476 -4.905 -3.590 1.00 0.00 C ATOM 1148 CD2 LEU A 76 7.791 -4.848 -1.182 1.00 0.00 C ATOM 0 H LEU A 76 8.395 -0.356 -2.510 1.00 0.00 H new ATOM 0 HA LEU A 76 8.765 -2.496 -0.661 1.00 0.00 H new ATOM 0 HB2 LEU A 76 6.839 -2.270 -2.185 1.00 0.00 H new ATOM 0 HB3 LEU A 76 7.901 -2.393 -3.574 1.00 0.00 H new ATOM 0 HG LEU A 76 6.529 -4.453 -2.848 1.00 0.00 H new ATOM 0 HD11 LEU A 76 8.319 -5.984 -3.583 1.00 0.00 H new ATOM 0 HD12 LEU A 76 8.249 -4.512 -4.581 1.00 0.00 H new ATOM 0 HD13 LEU A 76 9.515 -4.688 -3.343 1.00 0.00 H new ATOM 0 HD21 LEU A 76 7.645 -5.927 -1.223 1.00 0.00 H new ATOM 0 HD22 LEU A 76 8.808 -4.631 -0.856 1.00 0.00 H new ATOM 0 HD23 LEU A 76 7.084 -4.413 -0.476 1.00 0.00 H new ATOM 1160 N GLN A 77 10.712 -2.349 -3.322 1.00 0.00 N ATOM 1161 CA GLN A 77 11.960 -2.835 -3.896 1.00 0.00 C ATOM 1162 C GLN A 77 13.096 -2.726 -2.884 1.00 0.00 C ATOM 1163 O GLN A 77 13.962 -3.599 -2.811 1.00 0.00 O ATOM 1164 CB GLN A 77 12.298 -2.043 -5.160 1.00 0.00 C ATOM 1165 CG GLN A 77 11.522 -2.496 -6.386 1.00 0.00 C ATOM 1166 CD GLN A 77 12.371 -3.305 -7.347 1.00 0.00 C ATOM 1167 OE1 GLN A 77 12.500 -2.958 -8.521 1.00 0.00 O ATOM 1168 NE2 GLN A 77 12.954 -4.390 -6.852 1.00 0.00 N ATOM 0 H GLN A 77 10.251 -1.624 -3.872 1.00 0.00 H new ATOM 0 HA GLN A 77 11.836 -3.885 -4.159 1.00 0.00 H new ATOM 0 HB2 GLN A 77 12.096 -0.987 -4.982 1.00 0.00 H new ATOM 0 HB3 GLN A 77 13.365 -2.134 -5.361 1.00 0.00 H new ATOM 0 HG2 GLN A 77 10.667 -3.094 -6.070 1.00 0.00 H new ATOM 0 HG3 GLN A 77 11.126 -1.623 -6.904 1.00 0.00 H new ATOM 0 HE21 GLN A 77 12.819 -4.639 -5.872 1.00 0.00 H new ATOM 0 HE22 GLN A 77 13.537 -4.974 -7.451 1.00 0.00 H new ATOM 1177 N ALA A 78 13.077 -1.654 -2.098 1.00 0.00 N ATOM 1178 CA ALA A 78 14.089 -1.439 -1.070 1.00 0.00 C ATOM 1179 C ALA A 78 13.764 -2.242 0.186 1.00 0.00 C ATOM 1180 O ALA A 78 14.652 -2.556 0.980 1.00 0.00 O ATOM 1181 CB ALA A 78 14.202 0.041 -0.741 1.00 0.00 C ATOM 0 H ALA A 78 12.371 -0.920 -2.154 1.00 0.00 H new ATOM 0 HA ALA A 78 15.048 -1.784 -1.456 1.00 0.00 H new ATOM 0 HB1 ALA A 78 14.961 0.186 0.028 1.00 0.00 H new ATOM 0 HB2 ALA A 78 14.484 0.593 -1.638 1.00 0.00 H new ATOM 0 HB3 ALA A 78 13.242 0.407 -0.377 1.00 0.00 H new ATOM 1187 N HIS A 79 12.486 -2.566 0.359 1.00 0.00 N ATOM 1188 CA HIS A 79 12.036 -3.330 1.518 1.00 0.00 C ATOM 1189 C HIS A 79 12.732 -4.684 1.583 1.00 0.00 C ATOM 1190 O HIS A 79 13.574 -4.915 2.449 1.00 0.00 O ATOM 1191 CB HIS A 79 10.516 -3.522 1.472 1.00 0.00 C ATOM 1192 CG HIS A 79 9.917 -3.953 2.777 1.00 0.00 C ATOM 1193 ND1 HIS A 79 8.663 -4.515 2.836 1.00 0.00 N ATOM 1194 CD2 HIS A 79 10.427 -3.879 4.031 1.00 0.00 C ATOM 1195 CE1 HIS A 79 8.440 -4.772 4.112 1.00 0.00 C ATOM 1196 NE2 HIS A 79 9.482 -4.405 4.872 1.00 0.00 N ATOM 0 H HIS A 79 11.742 -2.311 -0.290 1.00 0.00 H new ATOM 0 HA HIS A 79 12.296 -2.767 2.415 1.00 0.00 H new ATOM 0 HB2 HIS A 79 10.051 -2.586 1.162 1.00 0.00 H new ATOM 0 HB3 HIS A 79 10.277 -4.265 0.711 1.00 0.00 H new ATOM 0 HD2 HIS A 79 11.391 -3.482 4.312 1.00 0.00 H new ATOM 0 HE1 HIS A 79 7.535 -5.220 4.494 1.00 0.00 H new ATOM 0 HE2 HIS A 79 9.557 -4.500 5.885 1.00 0.00 H new ATOM 1204 N GLN A 80 12.392 -5.568 0.650 1.00 0.00 N ATOM 1205 CA GLN A 80 12.985 -6.901 0.604 1.00 0.00 C ATOM 1206 C GLN A 80 14.484 -6.830 0.318 1.00 0.00 C ATOM 1207 O GLN A 80 15.178 -7.845 0.350 1.00 0.00 O ATOM 1208 CB GLN A 80 12.294 -7.750 -0.466 1.00 0.00 C ATOM 1209 CG GLN A 80 10.783 -7.808 -0.315 1.00 0.00 C ATOM 1210 CD GLN A 80 10.124 -8.683 -1.365 1.00 0.00 C ATOM 1211 OE1 GLN A 80 10.780 -9.503 -2.007 1.00 0.00 O ATOM 1212 NE2 GLN A 80 8.819 -8.512 -1.543 1.00 0.00 N ATOM 0 H GLN A 80 11.709 -5.386 -0.085 1.00 0.00 H new ATOM 0 HA GLN A 80 12.844 -7.364 1.581 1.00 0.00 H new ATOM 0 HB2 GLN A 80 12.537 -7.348 -1.450 1.00 0.00 H new ATOM 0 HB3 GLN A 80 12.694 -8.763 -0.428 1.00 0.00 H new ATOM 0 HG2 GLN A 80 10.535 -8.187 0.676 1.00 0.00 H new ATOM 0 HG3 GLN A 80 10.376 -6.799 -0.381 1.00 0.00 H new ATOM 0 HE21 GLN A 80 8.315 -7.820 -0.988 1.00 0.00 H new ATOM 0 HE22 GLN A 80 8.321 -9.072 -2.234 1.00 0.00 H new ATOM 1221 N ALA A 81 14.974 -5.629 0.029 1.00 0.00 N ATOM 1222 CA ALA A 81 16.387 -5.432 -0.272 1.00 0.00 C ATOM 1223 C ALA A 81 17.227 -5.383 1.001 1.00 0.00 C ATOM 1224 O ALA A 81 18.072 -6.249 1.232 1.00 0.00 O ATOM 1225 CB ALA A 81 16.580 -4.159 -1.082 1.00 0.00 C ATOM 0 H ALA A 81 14.413 -4.778 -0.003 1.00 0.00 H new ATOM 0 HA ALA A 81 16.726 -6.284 -0.862 1.00 0.00 H new ATOM 0 HB1 ALA A 81 17.639 -4.024 -1.300 1.00 0.00 H new ATOM 0 HB2 ALA A 81 16.024 -4.235 -2.016 1.00 0.00 H new ATOM 0 HB3 ALA A 81 16.215 -3.305 -0.511 1.00 0.00 H new ATOM 1231 N LYS A 82 16.999 -4.359 1.818 1.00 0.00 N ATOM 1232 CA LYS A 82 17.754 -4.180 3.054 1.00 0.00 C ATOM 1233 C LYS A 82 17.268 -5.123 4.150 1.00 0.00 C ATOM 1234 O LYS A 82 18.005 -5.421 5.091 1.00 0.00 O ATOM 1235 CB LYS A 82 17.647 -2.729 3.531 1.00 0.00 C ATOM 1236 CG LYS A 82 18.670 -1.803 2.894 1.00 0.00 C ATOM 1237 CD LYS A 82 18.394 -0.347 3.236 1.00 0.00 C ATOM 1238 CE LYS A 82 19.543 0.552 2.810 1.00 0.00 C ATOM 1239 NZ LYS A 82 20.834 0.136 3.427 1.00 0.00 N ATOM 0 H LYS A 82 16.297 -3.640 1.646 1.00 0.00 H new ATOM 0 HA LYS A 82 18.797 -4.418 2.843 1.00 0.00 H new ATOM 0 HB2 LYS A 82 16.646 -2.356 3.313 1.00 0.00 H new ATOM 0 HB3 LYS A 82 17.768 -2.701 4.614 1.00 0.00 H new ATOM 0 HG2 LYS A 82 19.669 -2.074 3.234 1.00 0.00 H new ATOM 0 HG3 LYS A 82 18.655 -1.933 1.812 1.00 0.00 H new ATOM 0 HD2 LYS A 82 17.476 -0.024 2.744 1.00 0.00 H new ATOM 0 HD3 LYS A 82 18.232 -0.249 4.309 1.00 0.00 H new ATOM 0 HE2 LYS A 82 19.637 0.531 1.724 1.00 0.00 H new ATOM 0 HE3 LYS A 82 19.322 1.582 3.091 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 21.341 0.976 3.771 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 20.647 -0.506 4.223 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 21.416 -0.353 2.717 1.00 0.00 H new ATOM 1253 N GLU A 83 16.029 -5.589 4.028 1.00 0.00 N ATOM 1254 CA GLU A 83 15.457 -6.494 5.020 1.00 0.00 C ATOM 1255 C GLU A 83 16.043 -7.897 4.878 1.00 0.00 C ATOM 1256 O GLU A 83 16.461 -8.507 5.864 1.00 0.00 O ATOM 1257 CB GLU A 83 13.932 -6.540 4.888 1.00 0.00 C ATOM 1258 CG GLU A 83 13.288 -7.710 5.616 1.00 0.00 C ATOM 1259 CD GLU A 83 11.862 -7.421 6.046 1.00 0.00 C ATOM 1260 OE1 GLU A 83 11.543 -6.239 6.291 1.00 0.00 O ATOM 1261 OE2 GLU A 83 11.067 -8.379 6.142 1.00 0.00 O ATOM 0 H GLU A 83 15.404 -5.357 3.256 1.00 0.00 H new ATOM 0 HA GLU A 83 15.711 -6.115 6.010 1.00 0.00 H new ATOM 0 HB2 GLU A 83 13.515 -5.610 5.274 1.00 0.00 H new ATOM 0 HB3 GLU A 83 13.669 -6.593 3.831 1.00 0.00 H new ATOM 0 HG2 GLU A 83 13.297 -8.585 4.967 1.00 0.00 H new ATOM 0 HG3 GLU A 83 13.884 -7.959 6.494 1.00 0.00 H new ATOM 1268 N ALA A 84 16.070 -8.404 3.649 1.00 0.00 N ATOM 1269 CA ALA A 84 16.609 -9.733 3.384 1.00 0.00 C ATOM 1270 C ALA A 84 18.127 -9.746 3.527 1.00 0.00 C ATOM 1271 O ALA A 84 18.726 -10.783 3.813 1.00 0.00 O ATOM 1272 CB ALA A 84 16.204 -10.202 1.995 1.00 0.00 C ATOM 0 H ALA A 84 15.726 -7.915 2.823 1.00 0.00 H new ATOM 0 HA ALA A 84 16.193 -10.420 4.121 1.00 0.00 H new ATOM 0 HB1 ALA A 84 16.614 -11.195 1.812 1.00 0.00 H new ATOM 0 HB2 ALA A 84 15.117 -10.240 1.926 1.00 0.00 H new ATOM 0 HB3 ALA A 84 16.591 -9.507 1.249 1.00 0.00 H new ATOM 1278 N ALA A 85 18.743 -8.584 3.328 1.00 0.00 N ATOM 1279 CA ALA A 85 20.192 -8.457 3.436 1.00 0.00 C ATOM 1280 C ALA A 85 20.656 -8.691 4.869 1.00 0.00 C ATOM 1281 O ALA A 85 21.778 -9.142 5.103 1.00 0.00 O ATOM 1282 CB ALA A 85 20.637 -7.087 2.951 1.00 0.00 C ATOM 0 H ALA A 85 18.261 -7.717 3.091 1.00 0.00 H new ATOM 0 HA ALA A 85 20.649 -9.219 2.805 1.00 0.00 H new ATOM 0 HB1 ALA A 85 21.721 -7.005 3.037 1.00 0.00 H new ATOM 0 HB2 ALA A 85 20.345 -6.957 1.909 1.00 0.00 H new ATOM 0 HB3 ALA A 85 20.165 -6.315 3.559 1.00 0.00 H new ATOM 1288 N GLN A 86 19.784 -8.383 5.825 1.00 0.00 N ATOM 1289 CA GLN A 86 20.103 -8.558 7.238 1.00 0.00 C ATOM 1290 C GLN A 86 19.805 -9.984 7.690 1.00 0.00 C ATOM 1291 O GLN A 86 20.271 -10.423 8.741 1.00 0.00 O ATOM 1292 CB GLN A 86 19.306 -7.566 8.087 1.00 0.00 C ATOM 1293 CG GLN A 86 20.057 -6.278 8.383 1.00 0.00 C ATOM 1294 CD GLN A 86 19.837 -5.788 9.801 1.00 0.00 C ATOM 1295 OE1 GLN A 86 19.121 -4.813 10.029 1.00 0.00 O ATOM 1296 NE2 GLN A 86 20.455 -6.464 10.763 1.00 0.00 N ATOM 0 H GLN A 86 18.851 -8.011 5.647 1.00 0.00 H new ATOM 0 HA GLN A 86 21.168 -8.368 7.371 1.00 0.00 H new ATOM 0 HB2 GLN A 86 18.376 -7.325 7.572 1.00 0.00 H new ATOM 0 HB3 GLN A 86 19.034 -8.043 9.029 1.00 0.00 H new ATOM 0 HG2 GLN A 86 21.123 -6.437 8.219 1.00 0.00 H new ATOM 0 HG3 GLN A 86 19.738 -5.506 7.682 1.00 0.00 H new ATOM 0 HE21 GLN A 86 21.039 -7.266 10.528 1.00 0.00 H new ATOM 0 HE22 GLN A 86 20.345 -6.181 11.737 1.00 0.00 H new ATOM 1305 N LYS A 87 19.024 -10.702 6.888 1.00 0.00 N ATOM 1306 CA LYS A 87 18.661 -12.078 7.204 1.00 0.00 C ATOM 1307 C LYS A 87 19.734 -13.050 6.721 1.00 0.00 C ATOM 1308 O LYS A 87 19.520 -13.809 5.775 1.00 0.00 O ATOM 1309 CB LYS A 87 17.313 -12.429 6.568 1.00 0.00 C ATOM 1310 CG LYS A 87 16.124 -12.152 7.474 1.00 0.00 C ATOM 1311 CD LYS A 87 15.473 -13.442 7.950 1.00 0.00 C ATOM 1312 CE LYS A 87 15.876 -13.775 9.377 1.00 0.00 C ATOM 1313 NZ LYS A 87 15.688 -15.219 9.685 1.00 0.00 N ATOM 0 H LYS A 87 18.631 -10.353 6.014 1.00 0.00 H new ATOM 0 HA LYS A 87 18.579 -12.167 8.287 1.00 0.00 H new ATOM 0 HB2 LYS A 87 17.197 -11.861 5.645 1.00 0.00 H new ATOM 0 HB3 LYS A 87 17.313 -13.484 6.294 1.00 0.00 H new ATOM 0 HG2 LYS A 87 16.450 -11.568 8.335 1.00 0.00 H new ATOM 0 HG3 LYS A 87 15.390 -11.549 6.939 1.00 0.00 H new ATOM 0 HD2 LYS A 87 14.389 -13.348 7.890 1.00 0.00 H new ATOM 0 HD3 LYS A 87 15.759 -14.261 7.289 1.00 0.00 H new ATOM 0 HE2 LYS A 87 16.920 -13.504 9.532 1.00 0.00 H new ATOM 0 HE3 LYS A 87 15.285 -13.176 10.070 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 15.974 -15.405 10.667 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 14.687 -15.473 9.562 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 16.271 -15.790 9.041 1.00 0.00 H new ATOM 1327 N ALA A 88 20.890 -13.019 7.377 1.00 0.00 N ATOM 1328 CA ALA A 88 21.999 -13.894 7.011 1.00 0.00 C ATOM 1329 C ALA A 88 21.792 -15.303 7.558 1.00 0.00 C ATOM 1330 O ALA A 88 22.199 -15.612 8.679 1.00 0.00 O ATOM 1331 CB ALA A 88 23.315 -13.317 7.513 1.00 0.00 C ATOM 0 H ALA A 88 21.083 -12.399 8.163 1.00 0.00 H new ATOM 0 HA ALA A 88 22.035 -13.958 5.923 1.00 0.00 H new ATOM 0 HB1 ALA A 88 24.133 -13.980 7.233 1.00 0.00 H new ATOM 0 HB2 ALA A 88 23.475 -12.335 7.068 1.00 0.00 H new ATOM 0 HB3 ALA A 88 23.280 -13.222 8.598 1.00 0.00 H new ATOM 1337 N VAL A 89 21.160 -16.154 6.757 1.00 0.00 N ATOM 1338 CA VAL A 89 20.900 -17.532 7.155 1.00 0.00 C ATOM 1339 C VAL A 89 21.859 -18.492 6.459 1.00 0.00 C ATOM 1340 O VAL A 89 22.308 -19.474 7.051 1.00 0.00 O ATOM 1341 CB VAL A 89 19.451 -17.950 6.838 1.00 0.00 C ATOM 1342 CG1 VAL A 89 18.603 -17.934 8.100 1.00 0.00 C ATOM 1343 CG2 VAL A 89 18.845 -17.051 5.770 1.00 0.00 C ATOM 0 H VAL A 89 20.818 -15.913 5.827 1.00 0.00 H new ATOM 0 HA VAL A 89 21.053 -17.583 8.233 1.00 0.00 H new ATOM 0 HB VAL A 89 19.469 -18.968 6.448 1.00 0.00 H new ATOM 0 HG11 VAL A 89 17.583 -18.232 7.857 1.00 0.00 H new ATOM 0 HG12 VAL A 89 19.020 -18.630 8.828 1.00 0.00 H new ATOM 0 HG13 VAL A 89 18.597 -16.929 8.521 1.00 0.00 H new ATOM 0 HG21 VAL A 89 17.822 -17.368 5.565 1.00 0.00 H new ATOM 0 HG22 VAL A 89 18.842 -16.019 6.122 1.00 0.00 H new ATOM 0 HG23 VAL A 89 19.436 -17.121 4.857 1.00 0.00 H new ATOM 1353 N ASN A 90 22.167 -18.202 5.198 1.00 0.00 N ATOM 1354 CA ASN A 90 23.076 -19.037 4.421 1.00 0.00 C ATOM 1355 C ASN A 90 24.493 -18.473 4.453 1.00 0.00 C ATOM 1356 O ASN A 90 25.469 -19.209 4.307 1.00 0.00 O ATOM 1357 CB ASN A 90 22.593 -19.145 2.974 1.00 0.00 C ATOM 1358 CG ASN A 90 22.951 -20.476 2.342 1.00 0.00 C ATOM 1359 OD1 ASN A 90 23.823 -20.551 1.477 1.00 0.00 O ATOM 1360 ND2 ASN A 90 22.279 -21.536 2.775 1.00 0.00 N ATOM 0 H ASN A 90 21.800 -17.395 4.693 1.00 0.00 H new ATOM 0 HA ASN A 90 23.088 -20.031 4.869 1.00 0.00 H new ATOM 0 HB2 ASN A 90 21.512 -19.011 2.944 1.00 0.00 H new ATOM 0 HB3 ASN A 90 23.031 -18.338 2.387 1.00 0.00 H new ATOM 0 HD21 ASN A 90 22.478 -22.459 2.388 1.00 0.00 H new ATOM 0 HD22 ASN A 90 21.564 -21.428 3.494 1.00 0.00 H new ATOM 1367 N SER A 91 24.596 -17.161 4.644 1.00 0.00 N ATOM 1368 CA SER A 91 25.892 -16.495 4.695 1.00 0.00 C ATOM 1369 C SER A 91 26.471 -16.538 6.105 1.00 0.00 C ATOM 1370 O SER A 91 25.892 -15.987 7.041 1.00 0.00 O ATOM 1371 CB SER A 91 25.759 -15.043 4.231 1.00 0.00 C ATOM 1372 OG SER A 91 24.592 -14.861 3.448 1.00 0.00 O ATOM 0 H SER A 91 23.797 -16.539 4.766 1.00 0.00 H new ATOM 0 HA SER A 91 26.571 -17.024 4.027 1.00 0.00 H new ATOM 0 HB2 SER A 91 25.725 -14.383 5.098 1.00 0.00 H new ATOM 0 HB3 SER A 91 26.638 -14.762 3.650 1.00 0.00 H new ATOM 0 HG SER A 91 24.530 -13.925 3.166 1.00 0.00 H new ATOM 1378 N ALA A 92 27.619 -17.194 6.248 1.00 0.00 N ATOM 1379 CA ALA A 92 28.277 -17.306 7.544 1.00 0.00 C ATOM 1380 C ALA A 92 29.285 -16.178 7.745 1.00 0.00 C ATOM 1381 O ALA A 92 30.475 -16.338 7.472 1.00 0.00 O ATOM 1382 CB ALA A 92 28.960 -18.660 7.674 1.00 0.00 C ATOM 0 H ALA A 92 28.112 -17.655 5.483 1.00 0.00 H new ATOM 0 HA ALA A 92 27.517 -17.221 8.320 1.00 0.00 H new ATOM 0 HB1 ALA A 92 29.447 -18.730 8.647 1.00 0.00 H new ATOM 0 HB2 ALA A 92 28.217 -19.452 7.583 1.00 0.00 H new ATOM 0 HB3 ALA A 92 29.705 -18.769 6.886 1.00 0.00 H new ATOM 1388 N THR A 93 28.796 -15.036 8.217 1.00 0.00 N ATOM 1389 CA THR A 93 29.651 -13.877 8.452 1.00 0.00 C ATOM 1390 C THR A 93 29.834 -13.629 9.945 1.00 0.00 C ATOM 1391 O THR A 93 30.932 -13.791 10.481 1.00 0.00 O ATOM 1392 CB THR A 93 29.052 -12.636 7.788 1.00 0.00 C ATOM 1393 OG1 THR A 93 28.238 -13.000 6.687 1.00 0.00 O ATOM 1394 CG2 THR A 93 30.094 -11.660 7.288 1.00 0.00 C ATOM 0 H THR A 93 27.813 -14.888 8.444 1.00 0.00 H new ATOM 0 HA THR A 93 30.628 -14.082 8.014 1.00 0.00 H new ATOM 0 HB THR A 93 28.467 -12.147 8.567 1.00 0.00 H new ATOM 0 HG1 THR A 93 27.863 -12.193 6.277 1.00 0.00 H new ATOM 0 HG21 THR A 93 29.600 -10.804 6.829 1.00 0.00 H new ATOM 0 HG22 THR A 93 30.705 -11.321 8.124 1.00 0.00 H new ATOM 0 HG23 THR A 93 30.729 -12.151 6.550 1.00 0.00 H new ATOM 1402 N GLY A 94 28.754 -13.233 10.611 1.00 0.00 N ATOM 1403 CA GLY A 94 28.815 -12.969 12.036 1.00 0.00 C ATOM 1404 C GLY A 94 28.334 -14.145 12.863 1.00 0.00 C ATOM 1405 O GLY A 94 27.506 -13.985 13.761 1.00 0.00 O ATOM 0 H GLY A 94 27.837 -13.090 10.188 1.00 0.00 H new ATOM 0 HA2 GLY A 94 29.841 -12.728 12.314 1.00 0.00 H new ATOM 0 HA3 GLY A 94 28.208 -12.094 12.267 1.00 0.00 H new ATOM 1409 N VAL A 95 28.854 -15.331 12.558 1.00 0.00 N ATOM 1410 CA VAL A 95 28.472 -16.542 13.276 1.00 0.00 C ATOM 1411 C VAL A 95 29.332 -16.732 14.528 1.00 0.00 C ATOM 1412 O VAL A 95 30.555 -16.596 14.474 1.00 0.00 O ATOM 1413 CB VAL A 95 28.591 -17.789 12.372 1.00 0.00 C ATOM 1414 CG1 VAL A 95 30.029 -17.991 11.916 1.00 0.00 C ATOM 1415 CG2 VAL A 95 28.072 -19.026 13.090 1.00 0.00 C ATOM 0 H VAL A 95 29.541 -15.479 11.819 1.00 0.00 H new ATOM 0 HA VAL A 95 27.431 -16.425 13.576 1.00 0.00 H new ATOM 0 HB VAL A 95 27.976 -17.627 11.487 1.00 0.00 H new ATOM 0 HG11 VAL A 95 30.089 -18.875 11.281 1.00 0.00 H new ATOM 0 HG12 VAL A 95 30.359 -17.117 11.354 1.00 0.00 H new ATOM 0 HG13 VAL A 95 30.671 -18.126 12.786 1.00 0.00 H new ATOM 0 HG21 VAL A 95 28.165 -19.893 12.435 1.00 0.00 H new ATOM 0 HG22 VAL A 95 28.654 -19.192 13.996 1.00 0.00 H new ATOM 0 HG23 VAL A 95 27.024 -18.881 13.353 1.00 0.00 H new ATOM 1425 N PRO A 96 28.702 -17.036 15.679 1.00 0.00 N ATOM 1426 CA PRO A 96 29.417 -17.229 16.944 1.00 0.00 C ATOM 1427 C PRO A 96 30.082 -18.600 17.036 1.00 0.00 C ATOM 1428 O PRO A 96 29.796 -19.380 17.944 1.00 0.00 O ATOM 1429 CB PRO A 96 28.309 -17.100 17.986 1.00 0.00 C ATOM 1430 CG PRO A 96 27.085 -17.588 17.290 1.00 0.00 C ATOM 1431 CD PRO A 96 27.242 -17.201 15.842 1.00 0.00 C ATOM 0 HA PRO A 96 30.231 -16.515 17.070 1.00 0.00 H new ATOM 0 HB2 PRO A 96 28.526 -17.696 18.872 1.00 0.00 H new ATOM 0 HB3 PRO A 96 28.193 -16.068 18.317 1.00 0.00 H new ATOM 0 HG2 PRO A 96 26.982 -18.668 17.395 1.00 0.00 H new ATOM 0 HG3 PRO A 96 26.189 -17.139 17.718 1.00 0.00 H new ATOM 0 HD2 PRO A 96 26.849 -17.970 15.177 1.00 0.00 H new ATOM 0 HD3 PRO A 96 26.707 -16.279 15.614 1.00 0.00 H new ATOM 1439 N THR A 97 30.974 -18.886 16.092 1.00 0.00 N ATOM 1440 CA THR A 97 31.683 -20.160 16.070 1.00 0.00 C ATOM 1441 C THR A 97 33.144 -19.977 16.470 1.00 0.00 C ATOM 1442 O THR A 97 33.656 -20.697 17.328 1.00 0.00 O ATOM 1443 CB THR A 97 31.597 -20.790 14.678 1.00 0.00 C ATOM 1444 OG1 THR A 97 30.246 -20.908 14.265 1.00 0.00 O ATOM 1445 CG2 THR A 97 32.222 -22.165 14.601 1.00 0.00 C ATOM 0 H THR A 97 31.223 -18.252 15.332 1.00 0.00 H new ATOM 0 HA THR A 97 31.209 -20.825 16.792 1.00 0.00 H new ATOM 0 HB THR A 97 32.155 -20.120 14.024 1.00 0.00 H new ATOM 0 HG1 THR A 97 30.211 -21.311 13.372 1.00 0.00 H new ATOM 0 HG21 THR A 97 32.126 -22.552 13.587 1.00 0.00 H new ATOM 0 HG22 THR A 97 33.277 -22.100 14.866 1.00 0.00 H new ATOM 0 HG23 THR A 97 31.714 -22.835 15.295 1.00 0.00 H new ATOM 1453 N VAL A 98 33.808 -19.012 15.843 1.00 0.00 N ATOM 1454 CA VAL A 98 35.211 -18.734 16.131 1.00 0.00 C ATOM 1455 C VAL A 98 35.363 -17.428 16.905 1.00 0.00 C ATOM 1456 O VAL A 98 36.382 -17.280 17.612 1.00 0.00 O ATOM 1457 CB VAL A 98 36.054 -18.652 14.842 1.00 0.00 C ATOM 1458 CG1 VAL A 98 37.442 -19.227 15.076 1.00 0.00 C ATOM 1459 CG2 VAL A 98 35.357 -19.370 13.695 1.00 0.00 C ATOM 1460 OXT VAL A 98 34.552 -16.508 16.668 1.00 0.00 O ATOM 0 H VAL A 98 33.397 -18.408 15.131 1.00 0.00 H new ATOM 0 HA VAL A 98 35.575 -19.563 16.738 1.00 0.00 H new ATOM 0 HB VAL A 98 36.160 -17.602 14.568 1.00 0.00 H new ATOM 0 HG11 VAL A 98 38.023 -19.161 14.156 1.00 0.00 H new ATOM 0 HG12 VAL A 98 37.942 -18.662 15.862 1.00 0.00 H new ATOM 0 HG13 VAL A 98 37.357 -20.271 15.377 1.00 0.00 H new ATOM 0 HG21 VAL A 98 35.969 -19.299 12.796 1.00 0.00 H new ATOM 0 HG22 VAL A 98 35.214 -20.419 13.955 1.00 0.00 H new ATOM 0 HG23 VAL A 98 34.388 -18.907 13.511 1.00 0.00 H new TER 1470 VAL A 98 ATOM 1471 N VAL B 1 15.184 -1.039 10.294 1.00 0.00 N ATOM 1472 CA VAL B 1 13.942 -0.683 9.560 1.00 0.00 C ATOM 1473 C VAL B 1 14.260 0.124 8.303 1.00 0.00 C ATOM 1474 O VAL B 1 15.229 0.883 8.269 1.00 0.00 O ATOM 1475 CB VAL B 1 12.977 0.125 10.452 1.00 0.00 C ATOM 1476 CG1 VAL B 1 13.580 1.475 10.812 1.00 0.00 C ATOM 1477 CG2 VAL B 1 11.630 0.299 9.765 1.00 0.00 C ATOM 0 H1 VAL B 1 15.086 -0.769 11.294 1.00 0.00 H new ATOM 0 H2 VAL B 1 15.345 -2.064 10.226 1.00 0.00 H new ATOM 0 H3 VAL B 1 15.991 -0.533 9.876 1.00 0.00 H new ATOM 0 HA VAL B 1 13.461 -1.618 9.273 1.00 0.00 H new ATOM 0 HB VAL B 1 12.818 -0.431 11.376 1.00 0.00 H new ATOM 0 HG11 VAL B 1 12.883 2.029 11.441 1.00 0.00 H new ATOM 0 HG12 VAL B 1 14.515 1.324 11.352 1.00 0.00 H new ATOM 0 HG13 VAL B 1 13.775 2.041 9.901 1.00 0.00 H new ATOM 0 HG21 VAL B 1 10.964 0.871 10.410 1.00 0.00 H new ATOM 0 HG22 VAL B 1 11.768 0.830 8.823 1.00 0.00 H new ATOM 0 HG23 VAL B 1 11.193 -0.680 9.569 1.00 0.00 H new ATOM 1489 N VAL B 2 13.440 -0.051 7.272 1.00 0.00 N ATOM 1490 CA VAL B 2 13.630 0.660 6.013 1.00 0.00 C ATOM 1491 C VAL B 2 12.770 1.918 5.961 1.00 0.00 C ATOM 1492 O VAL B 2 11.543 1.846 6.039 1.00 0.00 O ATOM 1493 CB VAL B 2 13.291 -0.232 4.804 1.00 0.00 C ATOM 1494 CG1 VAL B 2 13.794 0.399 3.514 1.00 0.00 C ATOM 1495 CG2 VAL B 2 13.874 -1.625 4.988 1.00 0.00 C ATOM 0 H VAL B 2 12.637 -0.680 7.284 1.00 0.00 H new ATOM 0 HA VAL B 2 14.683 0.938 5.962 1.00 0.00 H new ATOM 0 HB VAL B 2 12.207 -0.323 4.737 1.00 0.00 H new ATOM 0 HG11 VAL B 2 13.545 -0.247 2.672 1.00 0.00 H new ATOM 0 HG12 VAL B 2 13.323 1.372 3.377 1.00 0.00 H new ATOM 0 HG13 VAL B 2 14.875 0.524 3.568 1.00 0.00 H new ATOM 0 HG21 VAL B 2 13.624 -2.241 4.124 1.00 0.00 H new ATOM 0 HG22 VAL B 2 14.958 -1.556 5.084 1.00 0.00 H new ATOM 0 HG23 VAL B 2 13.458 -2.077 5.888 1.00 0.00 H new ATOM 1505 N LYS B 3 13.421 3.070 5.831 1.00 0.00 N ATOM 1506 CA LYS B 3 12.716 4.345 5.771 1.00 0.00 C ATOM 1507 C LYS B 3 12.108 4.567 4.391 1.00 0.00 C ATOM 1508 O LYS B 3 12.782 4.414 3.372 1.00 0.00 O ATOM 1509 CB LYS B 3 13.671 5.493 6.111 1.00 0.00 C ATOM 1510 CG LYS B 3 14.297 5.375 7.491 1.00 0.00 C ATOM 1511 CD LYS B 3 15.420 6.381 7.683 1.00 0.00 C ATOM 1512 CE LYS B 3 14.992 7.526 8.585 1.00 0.00 C ATOM 1513 NZ LYS B 3 14.018 8.430 7.912 1.00 0.00 N ATOM 0 H LYS B 3 14.436 3.146 5.765 1.00 0.00 H new ATOM 0 HA LYS B 3 11.909 4.321 6.503 1.00 0.00 H new ATOM 0 HB2 LYS B 3 14.464 5.529 5.364 1.00 0.00 H new ATOM 0 HB3 LYS B 3 13.129 6.437 6.046 1.00 0.00 H new ATOM 0 HG2 LYS B 3 13.533 5.532 8.252 1.00 0.00 H new ATOM 0 HG3 LYS B 3 14.684 4.366 7.631 1.00 0.00 H new ATOM 0 HD2 LYS B 3 16.288 5.882 8.114 1.00 0.00 H new ATOM 0 HD3 LYS B 3 15.727 6.775 6.714 1.00 0.00 H new ATOM 0 HE2 LYS B 3 14.545 7.124 9.495 1.00 0.00 H new ATOM 0 HE3 LYS B 3 15.870 8.098 8.887 1.00 0.00 H new ATOM 0 HZ1 LYS B 3 13.764 9.207 8.555 1.00 0.00 H new ATOM 0 HZ2 LYS B 3 14.446 8.821 7.049 1.00 0.00 H new ATOM 0 HZ3 LYS B 3 13.162 7.894 7.662 1.00 0.00 H new ATOM 1527 N SER B 4 10.828 4.929 4.366 1.00 0.00 N ATOM 1528 CA SER B 4 10.126 5.173 3.111 1.00 0.00 C ATOM 1529 C SER B 4 10.455 6.557 2.562 1.00 0.00 C ATOM 1530 O SER B 4 11.140 7.347 3.212 1.00 0.00 O ATOM 1531 CB SER B 4 8.615 5.038 3.315 1.00 0.00 C ATOM 1532 OG SER B 4 7.937 4.968 2.072 1.00 0.00 O ATOM 0 H SER B 4 10.257 5.060 5.201 1.00 0.00 H new ATOM 0 HA SER B 4 10.457 4.428 2.387 1.00 0.00 H new ATOM 0 HB2 SER B 4 8.402 4.143 3.900 1.00 0.00 H new ATOM 0 HB3 SER B 4 8.245 5.888 3.888 1.00 0.00 H new ATOM 0 HG SER B 4 6.974 4.880 2.229 1.00 0.00 H new ATOM 1538 N ASN B 5 9.956 6.848 1.364 1.00 0.00 N ATOM 1539 CA ASN B 5 10.193 8.140 0.729 1.00 0.00 C ATOM 1540 C ASN B 5 8.953 9.022 0.813 1.00 0.00 C ATOM 1541 O ASN B 5 9.021 10.163 1.270 1.00 0.00 O ATOM 1542 CB ASN B 5 10.596 7.946 -0.734 1.00 0.00 C ATOM 1543 CG ASN B 5 12.089 7.739 -0.901 1.00 0.00 C ATOM 1544 OD1 ASN B 5 12.893 8.573 -0.482 1.00 0.00 O ATOM 1545 ND2 ASN B 5 12.469 6.624 -1.513 1.00 0.00 N ATOM 0 H ASN B 5 9.385 6.206 0.814 1.00 0.00 H new ATOM 0 HA ASN B 5 11.006 8.635 1.261 1.00 0.00 H new ATOM 0 HB2 ASN B 5 10.065 7.086 -1.143 1.00 0.00 H new ATOM 0 HB3 ASN B 5 10.286 8.817 -1.312 1.00 0.00 H new ATOM 0 HD21 ASN B 5 13.461 6.431 -1.652 1.00 0.00 H new ATOM 0 HD22 ASN B 5 11.769 5.960 -1.844 1.00 0.00 H new ATOM 1552 N LEU B 6 7.820 8.486 0.369 1.00 0.00 N ATOM 1553 CA LEU B 6 6.562 9.224 0.400 1.00 0.00 C ATOM 1554 C LEU B 6 6.122 9.483 1.838 1.00 0.00 C ATOM 1555 O LEU B 6 6.474 10.504 2.427 1.00 0.00 O ATOM 1556 CB LEU B 6 5.476 8.454 -0.356 1.00 0.00 C ATOM 1557 CG LEU B 6 5.882 7.959 -1.745 1.00 0.00 C ATOM 1558 CD1 LEU B 6 4.961 6.839 -2.201 1.00 0.00 C ATOM 1559 CD2 LEU B 6 5.868 9.104 -2.746 1.00 0.00 C ATOM 0 H LEU B 6 7.747 7.544 -0.016 1.00 0.00 H new ATOM 0 HA LEU B 6 6.717 10.185 -0.090 1.00 0.00 H new ATOM 0 HB2 LEU B 6 5.175 7.596 0.245 1.00 0.00 H new ATOM 0 HB3 LEU B 6 4.601 9.095 -0.457 1.00 0.00 H new ATOM 0 HG LEU B 6 6.898 7.567 -1.687 1.00 0.00 H new ATOM 0 HD11 LEU B 6 5.264 6.499 -3.191 1.00 0.00 H new ATOM 0 HD12 LEU B 6 5.022 6.009 -1.498 1.00 0.00 H new ATOM 0 HD13 LEU B 6 3.935 7.205 -2.242 1.00 0.00 H new ATOM 0 HD21 LEU B 6 6.160 8.732 -3.728 1.00 0.00 H new ATOM 0 HD22 LEU B 6 4.865 9.527 -2.801 1.00 0.00 H new ATOM 0 HD23 LEU B 6 6.570 9.875 -2.427 1.00 0.00 H new ATOM 1571 N ASN B 7 5.364 8.546 2.403 1.00 0.00 N ATOM 1572 CA ASN B 7 4.895 8.675 3.778 1.00 0.00 C ATOM 1573 C ASN B 7 6.006 8.343 4.766 1.00 0.00 C ATOM 1574 O ASN B 7 6.505 7.218 4.789 1.00 0.00 O ATOM 1575 CB ASN B 7 3.712 7.742 4.027 1.00 0.00 C ATOM 1576 CG ASN B 7 2.630 8.389 4.868 1.00 0.00 C ATOM 1577 OD1 ASN B 7 2.837 8.415 6.180 1.00 0.00 O flip ATOM 1578 ND2 ASN B 7 1.618 8.858 4.346 1.00 0.00 N flip ATOM 0 H ASN B 7 5.063 7.693 1.931 1.00 0.00 H new ATOM 0 HA ASN B 7 4.584 9.709 3.926 1.00 0.00 H new ATOM 0 HB2 ASN B 7 3.289 7.434 3.071 1.00 0.00 H new ATOM 0 HB3 ASN B 7 4.064 6.839 4.526 1.00 0.00 H new ATOM 0 HD21 ASN B 7 1.500 8.816 3.334 1.00 0.00 H new ATOM 0 HD22 ASN B 7 0.898 9.288 4.926 1.00 0.00 H new ATOM 1585 N PRO B 8 6.386 9.302 5.628 1.00 0.00 N ATOM 1586 CA PRO B 8 7.432 9.087 6.625 1.00 0.00 C ATOM 1587 C PRO B 8 6.964 8.176 7.755 1.00 0.00 C ATOM 1588 O PRO B 8 7.717 7.885 8.686 1.00 0.00 O ATOM 1589 CB PRO B 8 7.734 10.496 7.161 1.00 0.00 C ATOM 1590 CG PRO B 8 7.012 11.439 6.252 1.00 0.00 C ATOM 1591 CD PRO B 8 5.856 10.669 5.685 1.00 0.00 C ATOM 0 HA PRO B 8 8.304 8.595 6.195 1.00 0.00 H new ATOM 0 HB2 PRO B 8 7.392 10.605 8.190 1.00 0.00 H new ATOM 0 HB3 PRO B 8 8.806 10.694 7.159 1.00 0.00 H new ATOM 0 HG2 PRO B 8 6.665 12.317 6.797 1.00 0.00 H new ATOM 0 HG3 PRO B 8 7.669 11.795 5.459 1.00 0.00 H new ATOM 0 HD2 PRO B 8 4.973 10.736 6.320 1.00 0.00 H new ATOM 0 HD3 PRO B 8 5.569 11.035 4.699 1.00 0.00 H new ATOM 1599 N ASN B 9 5.717 7.726 7.661 1.00 0.00 N ATOM 1600 CA ASN B 9 5.141 6.838 8.664 1.00 0.00 C ATOM 1601 C ASN B 9 4.650 5.547 8.019 1.00 0.00 C ATOM 1602 O ASN B 9 3.541 5.085 8.289 1.00 0.00 O ATOM 1603 CB ASN B 9 3.988 7.535 9.387 1.00 0.00 C ATOM 1604 CG ASN B 9 4.392 8.878 9.960 1.00 0.00 C ATOM 1605 OD1 ASN B 9 4.811 8.973 11.114 1.00 0.00 O ATOM 1606 ND2 ASN B 9 4.273 9.926 9.154 1.00 0.00 N ATOM 0 H ASN B 9 5.084 7.963 6.897 1.00 0.00 H new ATOM 0 HA ASN B 9 5.916 6.590 9.390 1.00 0.00 H new ATOM 0 HB2 ASN B 9 3.159 7.674 8.693 1.00 0.00 H new ATOM 0 HB3 ASN B 9 3.627 6.894 10.191 1.00 0.00 H new ATOM 0 HD21 ASN B 9 4.533 10.855 9.484 1.00 0.00 H new ATOM 0 HD22 ASN B 9 3.921 9.802 8.205 1.00 0.00 H new ATOM 1613 N ALA B 10 5.480 4.978 7.151 1.00 0.00 N ATOM 1614 CA ALA B 10 5.137 3.747 6.448 1.00 0.00 C ATOM 1615 C ALA B 10 4.866 2.602 7.423 1.00 0.00 C ATOM 1616 O ALA B 10 5.794 1.951 7.905 1.00 0.00 O ATOM 1617 CB ALA B 10 6.252 3.368 5.484 1.00 0.00 C ATOM 0 H ALA B 10 6.400 5.352 6.917 1.00 0.00 H new ATOM 0 HA ALA B 10 4.221 3.926 5.884 1.00 0.00 H new ATOM 0 HB1 ALA B 10 5.986 2.448 4.964 1.00 0.00 H new ATOM 0 HB2 ALA B 10 6.392 4.168 4.757 1.00 0.00 H new ATOM 0 HB3 ALA B 10 7.177 3.217 6.040 1.00 0.00 H new ATOM 1623 N LYS B 11 3.587 2.353 7.697 1.00 0.00 N ATOM 1624 CA LYS B 11 3.191 1.275 8.599 1.00 0.00 C ATOM 1625 C LYS B 11 2.362 0.230 7.858 1.00 0.00 C ATOM 1626 O LYS B 11 1.498 0.570 7.057 1.00 0.00 O ATOM 1627 CB LYS B 11 2.393 1.831 9.778 1.00 0.00 C ATOM 1628 CG LYS B 11 3.030 3.047 10.425 1.00 0.00 C ATOM 1629 CD LYS B 11 3.785 2.676 11.691 1.00 0.00 C ATOM 1630 CE LYS B 11 3.015 3.079 12.938 1.00 0.00 C ATOM 1631 NZ LYS B 11 2.922 4.558 13.080 1.00 0.00 N ATOM 0 H LYS B 11 2.808 2.883 7.307 1.00 0.00 H new ATOM 0 HA LYS B 11 4.096 0.800 8.977 1.00 0.00 H new ATOM 0 HB2 LYS B 11 1.392 2.095 9.436 1.00 0.00 H new ATOM 0 HB3 LYS B 11 2.278 1.049 10.529 1.00 0.00 H new ATOM 0 HG2 LYS B 11 3.713 3.520 9.719 1.00 0.00 H new ATOM 0 HG3 LYS B 11 2.259 3.780 10.662 1.00 0.00 H new ATOM 0 HD2 LYS B 11 3.966 1.601 11.706 1.00 0.00 H new ATOM 0 HD3 LYS B 11 4.760 3.164 11.691 1.00 0.00 H new ATOM 0 HE2 LYS B 11 2.012 2.654 12.898 1.00 0.00 H new ATOM 0 HE3 LYS B 11 3.504 2.660 13.818 1.00 0.00 H new ATOM 0 HZ1 LYS B 11 2.756 4.801 14.078 1.00 0.00 H new ATOM 0 HZ2 LYS B 11 3.810 4.994 12.760 1.00 0.00 H new ATOM 0 HZ3 LYS B 11 2.134 4.913 12.502 1.00 0.00 H new ATOM 1645 N GLU B 12 2.633 -1.041 8.140 1.00 0.00 N ATOM 1646 CA GLU B 12 1.938 -2.151 7.488 1.00 0.00 C ATOM 1647 C GLU B 12 0.417 -1.993 7.547 1.00 0.00 C ATOM 1648 O GLU B 12 -0.113 -1.261 8.384 1.00 0.00 O ATOM 1649 CB GLU B 12 2.338 -3.472 8.150 1.00 0.00 C ATOM 1650 CG GLU B 12 2.700 -4.569 7.162 1.00 0.00 C ATOM 1651 CD GLU B 12 1.542 -5.508 6.885 1.00 0.00 C ATOM 1652 OE1 GLU B 12 1.104 -6.203 7.824 1.00 0.00 O ATOM 1653 OE2 GLU B 12 1.073 -5.546 5.727 1.00 0.00 O ATOM 0 H GLU B 12 3.335 -1.331 8.821 1.00 0.00 H new ATOM 0 HA GLU B 12 2.233 -2.150 6.439 1.00 0.00 H new ATOM 0 HB2 GLU B 12 3.188 -3.295 8.809 1.00 0.00 H new ATOM 0 HB3 GLU B 12 1.516 -3.817 8.777 1.00 0.00 H new ATOM 0 HG2 GLU B 12 3.028 -4.117 6.226 1.00 0.00 H new ATOM 0 HG3 GLU B 12 3.542 -5.141 7.552 1.00 0.00 H new ATOM 1660 N PHE B 13 -0.276 -2.713 6.664 1.00 0.00 N ATOM 1661 CA PHE B 13 -1.738 -2.704 6.624 1.00 0.00 C ATOM 1662 C PHE B 13 -2.278 -3.770 7.567 1.00 0.00 C ATOM 1663 O PHE B 13 -2.442 -4.928 7.180 1.00 0.00 O ATOM 1664 CB PHE B 13 -2.229 -2.969 5.193 1.00 0.00 C ATOM 1665 CG PHE B 13 -3.615 -2.461 4.883 1.00 0.00 C ATOM 1666 CD1 PHE B 13 -4.336 -1.710 5.802 1.00 0.00 C ATOM 1667 CD2 PHE B 13 -4.194 -2.740 3.652 1.00 0.00 C ATOM 1668 CE1 PHE B 13 -5.603 -1.247 5.496 1.00 0.00 C ATOM 1669 CE2 PHE B 13 -5.458 -2.278 3.342 1.00 0.00 C ATOM 1670 CZ PHE B 13 -6.160 -1.527 4.263 1.00 0.00 C ATOM 0 H PHE B 13 0.156 -3.314 5.962 1.00 0.00 H new ATOM 0 HA PHE B 13 -2.100 -1.726 6.941 1.00 0.00 H new ATOM 0 HB2 PHE B 13 -1.528 -2.512 4.495 1.00 0.00 H new ATOM 0 HB3 PHE B 13 -2.204 -4.043 5.011 1.00 0.00 H new ATOM 0 HD1 PHE B 13 -3.903 -1.485 6.766 1.00 0.00 H new ATOM 0 HD2 PHE B 13 -3.648 -3.326 2.927 1.00 0.00 H new ATOM 0 HE1 PHE B 13 -6.156 -0.667 6.220 1.00 0.00 H new ATOM 0 HE2 PHE B 13 -5.896 -2.504 2.381 1.00 0.00 H new ATOM 0 HZ PHE B 13 -7.145 -1.158 4.020 1.00 0.00 H new ATOM 1680 N VAL B 14 -2.499 -3.390 8.822 1.00 0.00 N ATOM 1681 CA VAL B 14 -2.949 -4.346 9.834 1.00 0.00 C ATOM 1682 C VAL B 14 -4.243 -3.913 10.530 1.00 0.00 C ATOM 1683 O VAL B 14 -5.191 -4.696 10.603 1.00 0.00 O ATOM 1684 CB VAL B 14 -1.861 -4.594 10.900 1.00 0.00 C ATOM 1685 CG1 VAL B 14 -2.269 -5.727 11.830 1.00 0.00 C ATOM 1686 CG2 VAL B 14 -0.523 -4.890 10.241 1.00 0.00 C ATOM 0 H VAL B 14 -2.376 -2.436 9.163 1.00 0.00 H new ATOM 0 HA VAL B 14 -3.149 -5.271 9.293 1.00 0.00 H new ATOM 0 HB VAL B 14 -1.753 -3.688 11.497 1.00 0.00 H new ATOM 0 HG11 VAL B 14 -1.488 -5.886 12.574 1.00 0.00 H new ATOM 0 HG12 VAL B 14 -3.201 -5.468 12.332 1.00 0.00 H new ATOM 0 HG13 VAL B 14 -2.410 -6.640 11.251 1.00 0.00 H new ATOM 0 HG21 VAL B 14 0.231 -5.062 11.009 1.00 0.00 H new ATOM 0 HG22 VAL B 14 -0.614 -5.779 9.616 1.00 0.00 H new ATOM 0 HG23 VAL B 14 -0.226 -4.042 9.624 1.00 0.00 H new ATOM 1696 N PRO B 15 -4.303 -2.681 11.085 1.00 0.00 N ATOM 1697 CA PRO B 15 -5.489 -2.201 11.802 1.00 0.00 C ATOM 1698 C PRO B 15 -6.790 -2.520 11.073 1.00 0.00 C ATOM 1699 O PRO B 15 -7.814 -2.784 11.701 1.00 0.00 O ATOM 1700 CB PRO B 15 -5.267 -0.693 11.862 1.00 0.00 C ATOM 1701 CG PRO B 15 -3.787 -0.538 11.902 1.00 0.00 C ATOM 1702 CD PRO B 15 -3.223 -1.670 11.080 1.00 0.00 C ATOM 0 HA PRO B 15 -5.595 -2.676 12.777 1.00 0.00 H new ATOM 0 HB2 PRO B 15 -5.696 -0.193 10.993 1.00 0.00 H new ATOM 0 HB3 PRO B 15 -5.736 -0.257 12.744 1.00 0.00 H new ATOM 0 HG2 PRO B 15 -3.486 0.427 11.494 1.00 0.00 H new ATOM 0 HG3 PRO B 15 -3.419 -0.580 12.927 1.00 0.00 H new ATOM 0 HD2 PRO B 15 -2.982 -1.347 10.067 1.00 0.00 H new ATOM 0 HD3 PRO B 15 -2.305 -2.063 11.517 1.00 0.00 H new ATOM 1710 N GLY B 16 -6.743 -2.494 9.745 1.00 0.00 N ATOM 1711 CA GLY B 16 -7.926 -2.778 8.957 1.00 0.00 C ATOM 1712 C GLY B 16 -8.905 -1.621 8.950 1.00 0.00 C ATOM 1713 O GLY B 16 -9.780 -1.547 8.088 1.00 0.00 O ATOM 0 H GLY B 16 -5.907 -2.281 9.201 1.00 0.00 H new ATOM 0 HA2 GLY B 16 -7.631 -3.007 7.933 1.00 0.00 H new ATOM 0 HA3 GLY B 16 -8.419 -3.666 9.353 1.00 0.00 H new ATOM 1717 N VAL B 17 -8.754 -0.717 9.913 1.00 0.00 N ATOM 1718 CA VAL B 17 -9.621 0.449 10.015 1.00 0.00 C ATOM 1719 C VAL B 17 -8.990 1.651 9.321 1.00 0.00 C ATOM 1720 O VAL B 17 -7.948 1.526 8.677 1.00 0.00 O ATOM 1721 CB VAL B 17 -9.914 0.808 11.485 1.00 0.00 C ATOM 1722 CG1 VAL B 17 -10.847 -0.219 12.109 1.00 0.00 C ATOM 1723 CG2 VAL B 17 -8.619 0.914 12.276 1.00 0.00 C ATOM 0 H VAL B 17 -8.036 -0.771 10.636 1.00 0.00 H new ATOM 0 HA VAL B 17 -10.560 0.196 9.523 1.00 0.00 H new ATOM 0 HB VAL B 17 -10.410 1.778 11.512 1.00 0.00 H new ATOM 0 HG11 VAL B 17 -11.043 0.051 13.147 1.00 0.00 H new ATOM 0 HG12 VAL B 17 -11.786 -0.241 11.556 1.00 0.00 H new ATOM 0 HG13 VAL B 17 -10.381 -1.204 12.072 1.00 0.00 H new ATOM 0 HG21 VAL B 17 -8.845 1.168 13.312 1.00 0.00 H new ATOM 0 HG22 VAL B 17 -8.093 -0.040 12.243 1.00 0.00 H new ATOM 0 HG23 VAL B 17 -7.989 1.690 11.841 1.00 0.00 H new ATOM 1733 N LYS B 18 -9.627 2.810 9.449 1.00 0.00 N ATOM 1734 CA LYS B 18 -9.127 4.026 8.821 1.00 0.00 C ATOM 1735 C LYS B 18 -7.730 4.366 9.328 1.00 0.00 C ATOM 1736 O LYS B 18 -7.573 4.996 10.375 1.00 0.00 O ATOM 1737 CB LYS B 18 -10.079 5.192 9.091 1.00 0.00 C ATOM 1738 CG LYS B 18 -11.464 4.998 8.495 1.00 0.00 C ATOM 1739 CD LYS B 18 -12.466 5.982 9.077 1.00 0.00 C ATOM 1740 CE LYS B 18 -13.599 6.263 8.104 1.00 0.00 C ATOM 1741 NZ LYS B 18 -13.495 7.624 7.507 1.00 0.00 N ATOM 0 H LYS B 18 -10.489 2.932 9.981 1.00 0.00 H new ATOM 0 HA LYS B 18 -9.071 3.853 7.746 1.00 0.00 H new ATOM 0 HB2 LYS B 18 -10.172 5.332 10.168 1.00 0.00 H new ATOM 0 HB3 LYS B 18 -9.644 6.106 8.687 1.00 0.00 H new ATOM 0 HG2 LYS B 18 -11.416 5.123 7.413 1.00 0.00 H new ATOM 0 HG3 LYS B 18 -11.802 3.979 8.683 1.00 0.00 H new ATOM 0 HD2 LYS B 18 -12.873 5.582 10.006 1.00 0.00 H new ATOM 0 HD3 LYS B 18 -11.959 6.914 9.326 1.00 0.00 H new ATOM 0 HE2 LYS B 18 -13.589 5.517 7.310 1.00 0.00 H new ATOM 0 HE3 LYS B 18 -14.554 6.165 8.621 1.00 0.00 H new ATOM 0 HZ1 LYS B 18 -14.286 7.776 6.849 1.00 0.00 H new ATOM 0 HZ2 LYS B 18 -13.530 8.338 8.262 1.00 0.00 H new ATOM 0 HZ3 LYS B 18 -12.596 7.709 6.992 1.00 0.00 H new ATOM 1755 N TYR B 19 -6.718 3.940 8.579 1.00 0.00 N ATOM 1756 CA TYR B 19 -5.331 4.190 8.948 1.00 0.00 C ATOM 1757 C TYR B 19 -4.903 5.591 8.530 1.00 0.00 C ATOM 1758 O TYR B 19 -4.709 5.866 7.346 1.00 0.00 O ATOM 1759 CB TYR B 19 -4.417 3.142 8.302 1.00 0.00 C ATOM 1760 CG TYR B 19 -3.253 2.707 9.171 1.00 0.00 C ATOM 1761 CD1 TYR B 19 -3.271 2.890 10.550 1.00 0.00 C ATOM 1762 CD2 TYR B 19 -2.138 2.100 8.607 1.00 0.00 C ATOM 1763 CE1 TYR B 19 -2.209 2.492 11.338 1.00 0.00 C ATOM 1764 CE2 TYR B 19 -1.074 1.695 9.390 1.00 0.00 C ATOM 1765 CZ TYR B 19 -1.114 1.893 10.754 1.00 0.00 C ATOM 1766 OH TYR B 19 -0.056 1.491 11.537 1.00 0.00 O ATOM 0 H TYR B 19 -6.834 3.418 7.710 1.00 0.00 H new ATOM 0 HA TYR B 19 -5.245 4.116 10.032 1.00 0.00 H new ATOM 0 HB2 TYR B 19 -5.013 2.265 8.048 1.00 0.00 H new ATOM 0 HB3 TYR B 19 -4.027 3.544 7.367 1.00 0.00 H new ATOM 0 HD1 TYR B 19 -4.131 3.352 11.013 1.00 0.00 H new ATOM 0 HD2 TYR B 19 -2.102 1.942 7.539 1.00 0.00 H new ATOM 0 HE1 TYR B 19 -2.237 2.649 12.406 1.00 0.00 H new ATOM 0 HE2 TYR B 19 -0.214 1.225 8.935 1.00 0.00 H new ATOM 0 HH TYR B 19 0.175 0.563 11.324 1.00 0.00 H new ATOM 1776 N GLY B 20 -4.765 6.479 9.511 1.00 0.00 N ATOM 1777 CA GLY B 20 -4.369 7.845 9.228 1.00 0.00 C ATOM 1778 C GLY B 20 -5.560 8.753 8.991 1.00 0.00 C ATOM 1779 O GLY B 20 -5.805 9.183 7.863 1.00 0.00 O ATOM 0 H GLY B 20 -4.921 6.275 10.498 1.00 0.00 H new ATOM 0 HA2 GLY B 20 -3.781 8.230 10.061 1.00 0.00 H new ATOM 0 HA3 GLY B 20 -3.724 7.859 8.350 1.00 0.00 H new ATOM 1783 N ASN B 21 -6.303 9.041 10.055 1.00 0.00 N ATOM 1784 CA ASN B 21 -7.477 9.901 9.959 1.00 0.00 C ATOM 1785 C ASN B 21 -7.117 11.350 10.264 1.00 0.00 C ATOM 1786 O ASN B 21 -7.852 12.272 9.907 1.00 0.00 O ATOM 1787 CB ASN B 21 -8.566 9.420 10.920 1.00 0.00 C ATOM 1788 CG ASN B 21 -9.939 9.411 10.281 1.00 0.00 C ATOM 1789 OD1 ASN B 21 -10.129 8.862 9.195 1.00 0.00 O ATOM 1790 ND2 ASN B 21 -10.909 10.020 10.954 1.00 0.00 N ATOM 0 H ASN B 21 -6.113 8.691 10.994 1.00 0.00 H new ATOM 0 HA ASN B 21 -7.853 9.848 8.937 1.00 0.00 H new ATOM 0 HB2 ASN B 21 -8.323 8.415 11.266 1.00 0.00 H new ATOM 0 HB3 ASN B 21 -8.582 10.065 11.799 1.00 0.00 H new ATOM 0 HD21 ASN B 21 -11.855 10.045 10.574 1.00 0.00 H new ATOM 0 HD22 ASN B 21 -10.708 10.462 11.851 1.00 0.00 H new ATOM 1797 N ILE B 22 -5.984 11.544 10.929 1.00 0.00 N ATOM 1798 CA ILE B 22 -5.522 12.881 11.284 1.00 0.00 C ATOM 1799 C ILE B 22 -4.119 13.138 10.744 1.00 0.00 C ATOM 1800 O ILE B 22 -3.976 14.010 9.861 1.00 0.00 O ATOM 1801 CB ILE B 22 -5.521 13.092 12.810 1.00 0.00 C ATOM 1802 CG1 ILE B 22 -6.834 12.592 13.419 1.00 0.00 C ATOM 1803 CG2 ILE B 22 -5.304 14.561 13.143 1.00 0.00 C ATOM 1804 CD1 ILE B 22 -6.735 12.279 14.896 1.00 0.00 C ATOM 1805 OXT ILE B 22 -3.175 12.465 11.208 1.00 0.00 O ATOM 0 H ILE B 22 -5.367 10.791 11.234 1.00 0.00 H new ATOM 0 HA ILE B 22 -6.219 13.586 10.831 1.00 0.00 H new ATOM 0 HB ILE B 22 -4.701 12.517 13.239 1.00 0.00 H new ATOM 0 HG12 ILE B 22 -7.606 13.346 13.267 1.00 0.00 H new ATOM 0 HG13 ILE B 22 -7.154 11.696 12.887 1.00 0.00 H new ATOM 0 HG21 ILE B 22 -5.306 14.693 14.225 1.00 0.00 H new ATOM 0 HG22 ILE B 22 -4.346 14.888 12.739 1.00 0.00 H new ATOM 0 HG23 ILE B 22 -6.105 15.156 12.703 1.00 0.00 H new ATOM 0 HD11 ILE B 22 -7.702 11.930 15.260 1.00 0.00 H new ATOM 0 HD12 ILE B 22 -5.986 11.503 15.054 1.00 0.00 H new ATOM 0 HD13 ILE B 22 -6.446 13.178 15.440 1.00 0.00 H new TER 1817 ILE B 22