USER MOD reduce.3.24.130724 H: found=0, std=0, add=531, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 530 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 36 HIS : no HE2:sc= -1.58! C(o=-2.9!,f=-4.5!) USER MOD Set 1.2: A 46 LYS NZ :NH3+ 161:sc= 0.42 (180deg=0.356) USER MOD Set 1.3: A 60 TYR OH : rot 126:sc= -1.71! USER MOD Single : A 13 LYS NZ :NH3+ -120:sc= -0.672 (180deg=-2.51!) USER MOD Single : A 14 SER OG : rot -30:sc= 0.363 USER MOD Single : A 17 CYS SG : rot 180:sc= -0.931 USER MOD Single : A 18 SER OG : rot 36:sc= 0.561 USER MOD Single : A 20 GLN : amide:sc= 0 K(o=0,f=-0.9) USER MOD Single : A 23 MET CE :methyl 157:sc= -0.128 (180deg=-1.18) USER MOD Single : A 28 MET CE :methyl 163:sc= -0.0502 (180deg=-0.686) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 ASN : amide:sc= 0 X(o=0,f=-0.017) USER MOD Single : A 42 GLN : amide:sc= -0.312 X(o=-0.31,f=-0.19) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 175:sc= -0.751! (180deg=-0.815!) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 MET CE :methyl -168:sc=-0.000882 (180deg=-0.125) USER MOD Single : A 64 SER OG : rot -136:sc= 0.791 USER MOD Single : A 65 MET CE :methyl -140:sc= -1.85 (180deg=-6.08!) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ -128:sc= -2.18 (180deg=-4.63!) USER MOD Single : A 72 GLN : amide:sc= 0 K(o=0,f=-1.2!) USER MOD Single : A 76 HIS :FLIP no HD1:sc= -0.0712 F(o=-0.59,f=-0.071) USER MOD Single : A 80 SER OG : rot -13:sc= 1.54! USER MOD Single : A 81 THR OG1 : rot 180:sc= 0.00726 USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 13 8.132 2.248 -11.203 1.00 0.00 N ATOM 2 CA LYS A 13 7.801 2.444 -9.763 1.00 0.00 C ATOM 3 C LYS A 13 6.553 1.629 -9.412 1.00 0.00 C ATOM 4 O LYS A 13 5.723 1.354 -10.257 1.00 0.00 O ATOM 5 CB LYS A 13 7.539 3.934 -9.496 1.00 0.00 C ATOM 6 CG LYS A 13 6.320 4.408 -10.303 1.00 0.00 C ATOM 7 CD LYS A 13 6.068 5.900 -10.036 1.00 0.00 C ATOM 8 CE LYS A 13 7.179 6.765 -10.658 1.00 0.00 C ATOM 9 NZ LYS A 13 8.263 6.973 -9.658 1.00 0.00 N ATOM 0 HA LYS A 13 8.636 2.109 -9.147 1.00 0.00 H new ATOM 0 HB2 LYS A 13 7.366 4.096 -8.432 1.00 0.00 H new ATOM 0 HB3 LYS A 13 8.416 4.520 -9.769 1.00 0.00 H new ATOM 0 HG2 LYS A 13 6.490 4.243 -11.367 1.00 0.00 H new ATOM 0 HG3 LYS A 13 5.441 3.826 -10.027 1.00 0.00 H new ATOM 0 HD2 LYS A 13 5.102 6.189 -10.450 1.00 0.00 H new ATOM 0 HD3 LYS A 13 6.021 6.078 -8.962 1.00 0.00 H new ATOM 0 HE2 LYS A 13 7.579 6.278 -11.548 1.00 0.00 H new ATOM 0 HE3 LYS A 13 6.773 7.725 -10.975 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 8.375 7.990 -9.473 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 8.017 6.485 -8.773 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 9.155 6.589 -10.028 1.00 0.00 H new ATOM 23 N SER A 14 6.402 1.250 -8.172 1.00 0.00 N ATOM 24 CA SER A 14 5.198 0.464 -7.775 1.00 0.00 C ATOM 25 C SER A 14 4.977 0.592 -6.272 1.00 0.00 C ATOM 26 O SER A 14 5.841 1.036 -5.545 1.00 0.00 O ATOM 27 CB SER A 14 5.407 -1.010 -8.111 1.00 0.00 C ATOM 28 OG SER A 14 5.878 -1.133 -9.441 1.00 0.00 O ATOM 0 H SER A 14 7.059 1.450 -7.418 1.00 0.00 H new ATOM 0 HA SER A 14 4.333 0.848 -8.316 1.00 0.00 H new ATOM 0 HB2 SER A 14 6.123 -1.453 -7.419 1.00 0.00 H new ATOM 0 HB3 SER A 14 4.471 -1.556 -7.994 1.00 0.00 H new ATOM 0 HG SER A 14 5.529 -0.393 -9.981 1.00 0.00 H new ATOM 34 N ILE A 15 3.823 0.193 -5.803 1.00 0.00 N ATOM 35 CA ILE A 15 3.524 0.272 -4.341 1.00 0.00 C ATOM 36 C ILE A 15 2.953 -1.075 -3.874 1.00 0.00 C ATOM 37 O ILE A 15 2.033 -1.606 -4.463 1.00 0.00 O ATOM 38 CB ILE A 15 2.493 1.380 -4.105 1.00 0.00 C ATOM 39 CG1 ILE A 15 3.042 2.707 -4.654 1.00 0.00 C ATOM 40 CG2 ILE A 15 2.224 1.516 -2.605 1.00 0.00 C ATOM 41 CD1 ILE A 15 1.972 3.800 -4.553 1.00 0.00 C ATOM 0 H ILE A 15 3.069 -0.187 -6.375 1.00 0.00 H new ATOM 0 HA ILE A 15 4.433 0.494 -3.781 1.00 0.00 H new ATOM 0 HB ILE A 15 1.563 1.131 -4.616 1.00 0.00 H new ATOM 0 HG12 ILE A 15 3.929 3.002 -4.094 1.00 0.00 H new ATOM 0 HG13 ILE A 15 3.348 2.581 -5.693 1.00 0.00 H new ATOM 0 HG21 ILE A 15 1.490 2.304 -2.437 1.00 0.00 H new ATOM 0 HG22 ILE A 15 1.838 0.573 -2.218 1.00 0.00 H new ATOM 0 HG23 ILE A 15 3.151 1.768 -2.090 1.00 0.00 H new ATOM 0 HD11 ILE A 15 2.370 4.736 -4.944 1.00 0.00 H new ATOM 0 HD12 ILE A 15 1.097 3.507 -5.133 1.00 0.00 H new ATOM 0 HD13 ILE A 15 1.687 3.935 -3.510 1.00 0.00 H new ATOM 53 N TRP A 16 3.486 -1.624 -2.811 1.00 0.00 N ATOM 54 CA TRP A 16 2.976 -2.932 -2.285 1.00 0.00 C ATOM 55 C TRP A 16 2.959 -2.855 -0.750 1.00 0.00 C ATOM 56 O TRP A 16 3.886 -2.353 -0.148 1.00 0.00 O ATOM 57 CB TRP A 16 3.915 -4.067 -2.730 1.00 0.00 C ATOM 58 CG TRP A 16 4.111 -4.041 -4.221 1.00 0.00 C ATOM 59 CD1 TRP A 16 4.778 -3.074 -4.905 1.00 0.00 C ATOM 60 CD2 TRP A 16 3.679 -5.018 -5.224 1.00 0.00 C ATOM 61 NE1 TRP A 16 4.773 -3.393 -6.249 1.00 0.00 N ATOM 62 CE2 TRP A 16 4.111 -4.574 -6.497 1.00 0.00 C ATOM 63 CE3 TRP A 16 2.960 -6.231 -5.162 1.00 0.00 C ATOM 64 CZ2 TRP A 16 3.846 -5.298 -7.659 1.00 0.00 C ATOM 65 CZ3 TRP A 16 2.694 -6.958 -6.331 1.00 0.00 C ATOM 66 CH2 TRP A 16 3.136 -6.495 -7.577 1.00 0.00 C ATOM 0 H TRP A 16 4.258 -1.221 -2.280 1.00 0.00 H new ATOM 0 HA TRP A 16 1.975 -3.129 -2.667 1.00 0.00 H new ATOM 0 HB2 TRP A 16 4.878 -3.966 -2.230 1.00 0.00 H new ATOM 0 HB3 TRP A 16 3.499 -5.029 -2.430 1.00 0.00 H new ATOM 0 HD1 TRP A 16 5.237 -2.199 -4.469 1.00 0.00 H new ATOM 0 HE1 TRP A 16 5.209 -2.821 -6.972 1.00 0.00 H new ATOM 0 HE3 TRP A 16 2.613 -6.601 -4.209 1.00 0.00 H new ATOM 0 HZ2 TRP A 16 4.189 -4.934 -8.616 1.00 0.00 H new ATOM 0 HZ3 TRP A 16 2.143 -7.885 -6.270 1.00 0.00 H new ATOM 0 HH2 TRP A 16 2.927 -7.063 -8.471 1.00 0.00 H new ATOM 77 N CYS A 17 1.910 -3.325 -0.105 1.00 0.00 N ATOM 78 CA CYS A 17 1.852 -3.245 1.398 1.00 0.00 C ATOM 79 C CYS A 17 1.256 -4.533 1.992 1.00 0.00 C ATOM 80 O CYS A 17 0.406 -5.165 1.400 1.00 0.00 O ATOM 81 CB CYS A 17 0.975 -2.055 1.788 1.00 0.00 C ATOM 82 SG CYS A 17 1.331 -0.663 0.688 1.00 0.00 S ATOM 0 H CYS A 17 1.099 -3.756 -0.549 1.00 0.00 H new ATOM 0 HA CYS A 17 2.862 -3.122 1.789 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -0.078 -2.327 1.720 1.00 0.00 H new ATOM 0 HB3 CYS A 17 1.165 -1.773 2.824 1.00 0.00 H new ATOM 0 HG CYS A 17 0.585 0.350 1.015 1.00 0.00 H new ATOM 88 N SER A 18 1.697 -4.921 3.170 1.00 0.00 N ATOM 89 CA SER A 18 1.154 -6.164 3.815 1.00 0.00 C ATOM 90 C SER A 18 -0.181 -5.855 4.536 1.00 0.00 C ATOM 91 O SER A 18 -0.546 -4.707 4.699 1.00 0.00 O ATOM 92 CB SER A 18 2.197 -6.740 4.792 1.00 0.00 C ATOM 93 OG SER A 18 2.405 -8.112 4.486 1.00 0.00 O ATOM 0 H SER A 18 2.409 -4.431 3.712 1.00 0.00 H new ATOM 0 HA SER A 18 0.952 -6.912 3.048 1.00 0.00 H new ATOM 0 HB2 SER A 18 3.134 -6.189 4.711 1.00 0.00 H new ATOM 0 HB3 SER A 18 1.851 -6.631 5.820 1.00 0.00 H new ATOM 0 HG SER A 18 2.351 -8.243 3.516 1.00 0.00 H new ATOM 99 N PRO A 19 -0.911 -6.877 4.956 1.00 0.00 N ATOM 100 CA PRO A 19 -2.228 -6.704 5.653 1.00 0.00 C ATOM 101 C PRO A 19 -2.182 -5.691 6.808 1.00 0.00 C ATOM 102 O PRO A 19 -3.176 -5.074 7.135 1.00 0.00 O ATOM 103 CB PRO A 19 -2.561 -8.107 6.193 1.00 0.00 C ATOM 104 CG PRO A 19 -1.800 -9.061 5.329 1.00 0.00 C ATOM 105 CD PRO A 19 -0.563 -8.305 4.813 1.00 0.00 C ATOM 0 HA PRO A 19 -2.975 -6.307 4.965 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -2.267 -8.205 7.238 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -3.632 -8.302 6.143 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -1.505 -9.944 5.896 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -2.416 -9.406 4.499 1.00 0.00 H new ATOM 0 HD2 PRO A 19 0.325 -8.556 5.393 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -0.348 -8.558 3.775 1.00 0.00 H new ATOM 113 N GLN A 20 -1.051 -5.518 7.435 1.00 0.00 N ATOM 114 CA GLN A 20 -0.985 -4.554 8.566 1.00 0.00 C ATOM 115 C GLN A 20 -1.361 -3.163 8.062 1.00 0.00 C ATOM 116 O GLN A 20 -2.120 -2.451 8.692 1.00 0.00 O ATOM 117 CB GLN A 20 0.441 -4.526 9.120 1.00 0.00 C ATOM 118 CG GLN A 20 0.733 -5.829 9.866 1.00 0.00 C ATOM 119 CD GLN A 20 2.160 -5.786 10.412 1.00 0.00 C ATOM 120 OE1 GLN A 20 2.645 -4.738 10.788 1.00 0.00 O ATOM 121 NE2 GLN A 20 2.858 -6.886 10.473 1.00 0.00 N ATOM 0 H GLN A 20 -0.178 -5.998 7.215 1.00 0.00 H new ATOM 0 HA GLN A 20 -1.677 -4.858 9.352 1.00 0.00 H new ATOM 0 HB2 GLN A 20 1.154 -4.394 8.306 1.00 0.00 H new ATOM 0 HB3 GLN A 20 0.563 -3.676 9.792 1.00 0.00 H new ATOM 0 HG2 GLN A 20 0.022 -5.962 10.682 1.00 0.00 H new ATOM 0 HG3 GLN A 20 0.613 -6.680 9.196 1.00 0.00 H new ATOM 0 HE21 GLN A 20 2.451 -7.766 10.157 1.00 0.00 H new ATOM 0 HE22 GLN A 20 3.811 -6.866 10.836 1.00 0.00 H new ATOM 130 N GLU A 21 -0.862 -2.775 6.925 1.00 0.00 N ATOM 131 CA GLU A 21 -1.220 -1.435 6.394 1.00 0.00 C ATOM 132 C GLU A 21 -2.692 -1.442 5.975 1.00 0.00 C ATOM 133 O GLU A 21 -3.418 -0.497 6.207 1.00 0.00 O ATOM 134 CB GLU A 21 -0.351 -1.116 5.175 1.00 0.00 C ATOM 135 CG GLU A 21 1.101 -0.869 5.608 1.00 0.00 C ATOM 136 CD GLU A 21 1.814 -2.199 5.868 1.00 0.00 C ATOM 137 OE1 GLU A 21 1.260 -3.228 5.526 1.00 0.00 O ATOM 138 OE2 GLU A 21 2.904 -2.163 6.419 1.00 0.00 O ATOM 0 H GLU A 21 -0.227 -3.323 6.345 1.00 0.00 H new ATOM 0 HA GLU A 21 -1.055 -0.681 7.163 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -0.391 -1.942 4.465 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -0.740 -0.236 4.662 1.00 0.00 H new ATOM 0 HG2 GLU A 21 1.628 -0.312 4.834 1.00 0.00 H new ATOM 0 HG3 GLU A 21 1.119 -0.257 6.510 1.00 0.00 H new ATOM 145 N ILE A 22 -3.137 -2.501 5.352 1.00 0.00 N ATOM 146 CA ILE A 22 -4.561 -2.556 4.915 1.00 0.00 C ATOM 147 C ILE A 22 -5.481 -2.675 6.132 1.00 0.00 C ATOM 148 O ILE A 22 -6.409 -1.909 6.291 1.00 0.00 O ATOM 149 CB ILE A 22 -4.778 -3.757 3.995 1.00 0.00 C ATOM 150 CG1 ILE A 22 -3.873 -3.623 2.767 1.00 0.00 C ATOM 151 CG2 ILE A 22 -6.240 -3.791 3.545 1.00 0.00 C ATOM 152 CD1 ILE A 22 -3.896 -4.927 1.968 1.00 0.00 C ATOM 0 H ILE A 22 -2.579 -3.325 5.128 1.00 0.00 H new ATOM 0 HA ILE A 22 -4.796 -1.639 4.375 1.00 0.00 H new ATOM 0 HB ILE A 22 -4.538 -4.676 4.529 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -4.211 -2.796 2.142 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -2.854 -3.393 3.077 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -6.399 -4.646 2.888 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -6.887 -3.878 4.418 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -6.477 -2.873 3.008 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -3.251 -4.830 1.094 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -3.538 -5.744 2.594 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -4.915 -5.138 1.645 1.00 0.00 H new ATOM 164 N MET A 23 -5.251 -3.640 6.988 1.00 0.00 N ATOM 165 CA MET A 23 -6.133 -3.811 8.178 1.00 0.00 C ATOM 166 C MET A 23 -6.267 -2.484 8.921 1.00 0.00 C ATOM 167 O MET A 23 -7.232 -2.253 9.621 1.00 0.00 O ATOM 168 CB MET A 23 -5.514 -4.855 9.113 1.00 0.00 C ATOM 169 CG MET A 23 -5.606 -6.245 8.475 1.00 0.00 C ATOM 170 SD MET A 23 -4.496 -7.379 9.346 1.00 0.00 S ATOM 171 CE MET A 23 -5.253 -7.246 10.982 1.00 0.00 C ATOM 0 H MET A 23 -4.490 -4.315 6.912 1.00 0.00 H new ATOM 0 HA MET A 23 -7.120 -4.140 7.853 1.00 0.00 H new ATOM 0 HB2 MET A 23 -4.472 -4.605 9.313 1.00 0.00 H new ATOM 0 HB3 MET A 23 -6.032 -4.850 10.072 1.00 0.00 H new ATOM 0 HG2 MET A 23 -6.631 -6.613 8.523 1.00 0.00 H new ATOM 0 HG3 MET A 23 -5.336 -6.192 7.420 1.00 0.00 H new ATOM 0 HE1 MET A 23 -5.011 -8.133 11.568 1.00 0.00 H new ATOM 0 HE2 MET A 23 -4.870 -6.360 11.489 1.00 0.00 H new ATOM 0 HE3 MET A 23 -6.335 -7.165 10.877 1.00 0.00 H new ATOM 181 N ALA A 24 -5.312 -1.605 8.778 1.00 0.00 N ATOM 182 CA ALA A 24 -5.400 -0.293 9.481 1.00 0.00 C ATOM 183 C ALA A 24 -6.239 0.682 8.654 1.00 0.00 C ATOM 184 O ALA A 24 -6.578 1.756 9.107 1.00 0.00 O ATOM 185 CB ALA A 24 -3.992 0.280 9.669 1.00 0.00 C ATOM 0 H ALA A 24 -4.477 -1.738 8.207 1.00 0.00 H new ATOM 0 HA ALA A 24 -5.870 -0.437 10.454 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -4.055 1.239 10.183 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -3.394 -0.411 10.263 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -3.523 0.420 8.695 1.00 0.00 H new ATOM 191 N ALA A 25 -6.573 0.327 7.441 1.00 0.00 N ATOM 192 CA ALA A 25 -7.384 1.246 6.590 1.00 0.00 C ATOM 193 C ALA A 25 -8.873 1.104 6.922 1.00 0.00 C ATOM 194 O ALA A 25 -9.412 0.015 6.961 1.00 0.00 O ATOM 195 CB ALA A 25 -7.164 0.895 5.118 1.00 0.00 C ATOM 0 H ALA A 25 -6.319 -0.559 7.003 1.00 0.00 H new ATOM 0 HA ALA A 25 -7.073 2.273 6.782 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -7.755 1.564 4.492 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -6.108 1.006 4.871 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -7.472 -0.135 4.940 1.00 0.00 H new ATOM 201 N ASP A 26 -9.543 2.201 7.152 1.00 0.00 N ATOM 202 CA ASP A 26 -10.999 2.144 7.465 1.00 0.00 C ATOM 203 C ASP A 26 -11.736 1.499 6.285 1.00 0.00 C ATOM 204 O ASP A 26 -12.652 0.718 6.457 1.00 0.00 O ATOM 205 CB ASP A 26 -11.523 3.563 7.689 1.00 0.00 C ATOM 206 CG ASP A 26 -13.016 3.515 8.014 1.00 0.00 C ATOM 207 OD1 ASP A 26 -13.605 2.460 7.854 1.00 0.00 O ATOM 208 OD2 ASP A 26 -13.546 4.535 8.419 1.00 0.00 O ATOM 0 H ASP A 26 -9.142 3.139 7.136 1.00 0.00 H new ATOM 0 HA ASP A 26 -11.165 1.554 8.366 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -10.978 4.038 8.505 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -11.354 4.168 6.798 1.00 0.00 H new ATOM 213 N GLY A 27 -11.341 1.830 5.085 1.00 0.00 N ATOM 214 CA GLY A 27 -12.005 1.256 3.878 1.00 0.00 C ATOM 215 C GLY A 27 -11.957 -0.273 3.917 1.00 0.00 C ATOM 216 O GLY A 27 -12.803 -0.934 3.349 1.00 0.00 O ATOM 0 H GLY A 27 -10.580 2.479 4.887 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -13.041 1.592 3.831 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -11.511 1.619 2.977 1.00 0.00 H new ATOM 220 N MET A 28 -10.973 -0.845 4.575 1.00 0.00 N ATOM 221 CA MET A 28 -10.866 -2.340 4.645 1.00 0.00 C ATOM 222 C MET A 28 -10.729 -2.776 6.111 1.00 0.00 C ATOM 223 O MET A 28 -9.646 -3.061 6.585 1.00 0.00 O ATOM 224 CB MET A 28 -9.628 -2.795 3.866 1.00 0.00 C ATOM 225 CG MET A 28 -9.721 -2.321 2.411 1.00 0.00 C ATOM 226 SD MET A 28 -9.134 -0.616 2.297 1.00 0.00 S ATOM 227 CE MET A 28 -8.610 -0.690 0.570 1.00 0.00 C ATOM 0 H MET A 28 -10.237 -0.339 5.068 1.00 0.00 H new ATOM 0 HA MET A 28 -11.760 -2.790 4.213 1.00 0.00 H new ATOM 0 HB2 MET A 28 -8.728 -2.394 4.331 1.00 0.00 H new ATOM 0 HB3 MET A 28 -9.546 -3.881 3.899 1.00 0.00 H new ATOM 0 HG2 MET A 28 -9.123 -2.967 1.768 1.00 0.00 H new ATOM 0 HG3 MET A 28 -10.751 -2.387 2.061 1.00 0.00 H new ATOM 0 HE1 MET A 28 -8.490 0.322 0.183 1.00 0.00 H new ATOM 0 HE2 MET A 28 -7.660 -1.220 0.500 1.00 0.00 H new ATOM 0 HE3 MET A 28 -9.363 -1.216 -0.017 1.00 0.00 H new ATOM 237 N PRO A 29 -11.825 -2.822 6.826 1.00 0.00 N ATOM 238 CA PRO A 29 -11.848 -3.221 8.262 1.00 0.00 C ATOM 239 C PRO A 29 -11.960 -4.740 8.450 1.00 0.00 C ATOM 240 O PRO A 29 -12.093 -5.487 7.500 1.00 0.00 O ATOM 241 CB PRO A 29 -13.107 -2.525 8.782 1.00 0.00 C ATOM 242 CG PRO A 29 -14.045 -2.519 7.611 1.00 0.00 C ATOM 243 CD PRO A 29 -13.175 -2.495 6.340 1.00 0.00 C ATOM 0 HA PRO A 29 -10.932 -2.943 8.783 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -13.535 -3.060 9.630 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -12.889 -1.512 9.121 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -14.685 -3.401 7.624 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -14.701 -1.649 7.646 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -13.522 -3.222 5.605 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -13.200 -1.518 5.858 1.00 0.00 H new ATOM 251 N GLY A 30 -11.895 -5.200 9.675 1.00 0.00 N ATOM 252 CA GLY A 30 -11.985 -6.667 9.943 1.00 0.00 C ATOM 253 C GLY A 30 -10.570 -7.238 10.003 1.00 0.00 C ATOM 254 O GLY A 30 -9.618 -6.599 9.598 1.00 0.00 O ATOM 0 H GLY A 30 -11.783 -4.618 10.505 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -12.507 -6.849 10.883 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -12.559 -7.160 9.159 1.00 0.00 H new ATOM 258 N SER A 31 -10.406 -8.424 10.516 1.00 0.00 N ATOM 259 CA SER A 31 -9.038 -9.003 10.615 1.00 0.00 C ATOM 260 C SER A 31 -8.515 -9.323 9.213 1.00 0.00 C ATOM 261 O SER A 31 -9.113 -8.954 8.221 1.00 0.00 O ATOM 262 CB SER A 31 -9.085 -10.279 11.459 1.00 0.00 C ATOM 263 OG SER A 31 -9.800 -11.285 10.758 1.00 0.00 O ATOM 0 H SER A 31 -11.157 -9.016 10.870 1.00 0.00 H new ATOM 0 HA SER A 31 -8.370 -8.284 11.089 1.00 0.00 H new ATOM 0 HB2 SER A 31 -8.073 -10.621 11.676 1.00 0.00 H new ATOM 0 HB3 SER A 31 -9.565 -10.077 12.416 1.00 0.00 H new ATOM 0 HG SER A 31 -9.828 -12.102 11.298 1.00 0.00 H new ATOM 269 N VAL A 32 -7.386 -9.972 9.116 1.00 0.00 N ATOM 270 CA VAL A 32 -6.818 -10.263 7.771 1.00 0.00 C ATOM 271 C VAL A 32 -7.859 -10.974 6.908 1.00 0.00 C ATOM 272 O VAL A 32 -8.113 -10.578 5.792 1.00 0.00 O ATOM 273 CB VAL A 32 -5.587 -11.164 7.904 1.00 0.00 C ATOM 274 CG1 VAL A 32 -4.997 -11.421 6.516 1.00 0.00 C ATOM 275 CG2 VAL A 32 -4.536 -10.481 8.784 1.00 0.00 C ATOM 0 H VAL A 32 -6.836 -10.311 9.905 1.00 0.00 H new ATOM 0 HA VAL A 32 -6.533 -9.320 7.304 1.00 0.00 H new ATOM 0 HB VAL A 32 -5.879 -12.109 8.362 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -4.120 -12.062 6.606 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -5.742 -11.911 5.889 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -4.708 -10.473 6.062 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -3.663 -11.127 8.875 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -4.242 -9.534 8.331 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -4.955 -10.295 9.773 1.00 0.00 H new ATOM 285 N ALA A 33 -8.473 -12.013 7.405 1.00 0.00 N ATOM 286 CA ALA A 33 -9.488 -12.725 6.576 1.00 0.00 C ATOM 287 C ALA A 33 -10.594 -11.747 6.179 1.00 0.00 C ATOM 288 O ALA A 33 -11.049 -11.751 5.058 1.00 0.00 O ATOM 289 CB ALA A 33 -10.087 -13.883 7.377 1.00 0.00 C ATOM 0 H ALA A 33 -8.319 -12.396 8.338 1.00 0.00 H new ATOM 0 HA ALA A 33 -9.012 -13.120 5.678 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -10.828 -14.401 6.769 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -9.296 -14.579 7.657 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -10.564 -13.495 8.277 1.00 0.00 H new ATOM 295 N GLY A 34 -11.011 -10.883 7.065 1.00 0.00 N ATOM 296 CA GLY A 34 -12.061 -9.897 6.680 1.00 0.00 C ATOM 297 C GLY A 34 -11.508 -9.058 5.531 1.00 0.00 C ATOM 298 O GLY A 34 -12.156 -8.852 4.521 1.00 0.00 O ATOM 0 H GLY A 34 -10.676 -10.817 8.026 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -12.974 -10.409 6.375 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -12.319 -9.262 7.528 1.00 0.00 H new ATOM 302 N VAL A 35 -10.291 -8.606 5.670 1.00 0.00 N ATOM 303 CA VAL A 35 -9.651 -7.816 4.586 1.00 0.00 C ATOM 304 C VAL A 35 -9.480 -8.730 3.378 1.00 0.00 C ATOM 305 O VAL A 35 -9.794 -8.388 2.256 1.00 0.00 O ATOM 306 CB VAL A 35 -8.252 -7.359 5.047 1.00 0.00 C ATOM 307 CG1 VAL A 35 -7.404 -6.929 3.837 1.00 0.00 C ATOM 308 CG2 VAL A 35 -8.385 -6.185 6.019 1.00 0.00 C ATOM 0 H VAL A 35 -9.710 -8.753 6.496 1.00 0.00 H new ATOM 0 HA VAL A 35 -10.263 -6.948 4.341 1.00 0.00 H new ATOM 0 HB VAL A 35 -7.760 -8.193 5.547 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -6.419 -6.609 4.178 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -7.295 -7.770 3.152 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -7.896 -6.103 3.323 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -7.394 -5.866 6.342 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -8.889 -5.356 5.522 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -8.967 -6.495 6.887 1.00 0.00 H new ATOM 318 N HIS A 36 -8.940 -9.885 3.620 1.00 0.00 N ATOM 319 CA HIS A 36 -8.686 -10.848 2.527 1.00 0.00 C ATOM 320 C HIS A 36 -10.021 -11.321 1.933 1.00 0.00 C ATOM 321 O HIS A 36 -10.100 -11.688 0.776 1.00 0.00 O ATOM 322 CB HIS A 36 -7.893 -12.033 3.117 1.00 0.00 C ATOM 323 CG HIS A 36 -6.940 -12.572 2.101 1.00 0.00 C ATOM 324 ND1 HIS A 36 -5.568 -12.580 2.293 1.00 0.00 N ATOM 325 CD2 HIS A 36 -7.157 -13.105 0.874 1.00 0.00 C ATOM 326 CE1 HIS A 36 -5.013 -13.109 1.188 1.00 0.00 C ATOM 327 NE2 HIS A 36 -5.941 -13.449 0.285 1.00 0.00 N ATOM 0 H HIS A 36 -8.660 -10.206 4.547 1.00 0.00 H new ATOM 0 HA HIS A 36 -8.111 -10.385 1.725 1.00 0.00 H new ATOM 0 HB2 HIS A 36 -7.347 -11.709 4.003 1.00 0.00 H new ATOM 0 HB3 HIS A 36 -8.580 -12.818 3.435 1.00 0.00 H new ATOM 0 HD1 HIS A 36 -5.071 -12.247 3.119 1.00 0.00 H new ATOM 0 HD2 HIS A 36 -8.127 -13.243 0.420 1.00 0.00 H new ATOM 0 HE1 HIS A 36 -3.951 -13.243 1.047 1.00 0.00 H new ATOM 335 N TYR A 37 -11.064 -11.331 2.719 1.00 0.00 N ATOM 336 CA TYR A 37 -12.385 -11.796 2.204 1.00 0.00 C ATOM 337 C TYR A 37 -12.838 -10.929 1.027 1.00 0.00 C ATOM 338 O TYR A 37 -13.190 -11.432 -0.020 1.00 0.00 O ATOM 339 CB TYR A 37 -13.430 -11.695 3.314 1.00 0.00 C ATOM 340 CG TYR A 37 -14.760 -12.179 2.791 1.00 0.00 C ATOM 341 CD1 TYR A 37 -15.637 -11.288 2.160 1.00 0.00 C ATOM 342 CD2 TYR A 37 -15.109 -13.527 2.928 1.00 0.00 C ATOM 343 CE1 TYR A 37 -16.866 -11.745 1.670 1.00 0.00 C ATOM 344 CE2 TYR A 37 -16.338 -13.985 2.438 1.00 0.00 C ATOM 345 CZ TYR A 37 -17.218 -13.095 1.809 1.00 0.00 C ATOM 346 OH TYR A 37 -18.429 -13.548 1.326 1.00 0.00 O ATOM 0 H TYR A 37 -11.059 -11.037 3.696 1.00 0.00 H new ATOM 0 HA TYR A 37 -12.281 -12.829 1.873 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -13.124 -12.293 4.173 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -13.514 -10.664 3.657 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -15.365 -10.248 2.051 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -14.430 -14.214 3.412 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -17.543 -11.058 1.185 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -16.608 -15.025 2.545 1.00 0.00 H new ATOM 0 HH TYR A 37 -18.514 -14.508 1.504 1.00 0.00 H new ATOM 356 N ARG A 38 -12.836 -9.630 1.181 1.00 0.00 N ATOM 357 CA ARG A 38 -13.273 -8.762 0.051 1.00 0.00 C ATOM 358 C ARG A 38 -12.262 -8.869 -1.088 1.00 0.00 C ATOM 359 O ARG A 38 -12.621 -8.903 -2.249 1.00 0.00 O ATOM 360 CB ARG A 38 -13.394 -7.307 0.510 1.00 0.00 C ATOM 361 CG ARG A 38 -12.120 -6.876 1.231 1.00 0.00 C ATOM 362 CD ARG A 38 -12.285 -5.440 1.725 1.00 0.00 C ATOM 363 NE ARG A 38 -12.545 -4.539 0.567 1.00 0.00 N ATOM 364 CZ ARG A 38 -13.070 -3.359 0.764 1.00 0.00 C ATOM 365 NH1 ARG A 38 -13.386 -2.979 1.971 1.00 0.00 N ATOM 366 NH2 ARG A 38 -13.285 -2.564 -0.246 1.00 0.00 N ATOM 0 H ARG A 38 -12.554 -9.139 2.030 1.00 0.00 H new ATOM 0 HA ARG A 38 -14.251 -9.095 -0.297 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -13.571 -6.660 -0.349 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -14.252 -7.197 1.174 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -11.920 -7.542 2.071 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -11.265 -6.946 0.558 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -13.109 -5.382 2.436 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -11.386 -5.121 2.252 1.00 0.00 H new ATOM 0 HE ARG A 38 -12.313 -4.843 -0.379 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -13.223 -3.603 2.761 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -13.796 -2.058 2.125 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -13.043 -2.863 -1.191 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -13.695 -1.643 -0.092 1.00 0.00 H new ATOM 380 N ALA A 39 -11.002 -8.925 -0.764 1.00 0.00 N ATOM 381 CA ALA A 39 -9.966 -9.034 -1.822 1.00 0.00 C ATOM 382 C ALA A 39 -10.048 -10.421 -2.467 1.00 0.00 C ATOM 383 O ALA A 39 -9.418 -10.687 -3.470 1.00 0.00 O ATOM 384 CB ALA A 39 -8.583 -8.834 -1.196 1.00 0.00 C ATOM 0 H ALA A 39 -10.645 -8.900 0.191 1.00 0.00 H new ATOM 0 HA ALA A 39 -10.131 -8.272 -2.583 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -7.819 -8.913 -1.969 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -8.532 -7.848 -0.735 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -8.413 -9.598 -0.438 1.00 0.00 H new ATOM 390 N ASN A 40 -10.845 -11.298 -1.917 1.00 0.00 N ATOM 391 CA ASN A 40 -10.990 -12.653 -2.523 1.00 0.00 C ATOM 392 C ASN A 40 -11.879 -12.548 -3.761 1.00 0.00 C ATOM 393 O ASN A 40 -11.594 -13.111 -4.800 1.00 0.00 O ATOM 394 CB ASN A 40 -11.636 -13.610 -1.518 1.00 0.00 C ATOM 395 CG ASN A 40 -11.643 -15.026 -2.099 1.00 0.00 C ATOM 396 OD1 ASN A 40 -10.603 -15.582 -2.392 1.00 0.00 O ATOM 397 ND2 ASN A 40 -12.782 -15.632 -2.290 1.00 0.00 N ATOM 0 H ASN A 40 -11.400 -11.135 -1.077 1.00 0.00 H new ATOM 0 HA ASN A 40 -10.007 -13.035 -2.797 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -11.086 -13.593 -0.577 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -12.654 -13.290 -1.297 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -12.799 -16.572 -2.685 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -13.655 -15.166 -2.044 1.00 0.00 H new ATOM 404 N VAL A 41 -12.959 -11.825 -3.647 1.00 0.00 N ATOM 405 CA VAL A 41 -13.887 -11.667 -4.799 1.00 0.00 C ATOM 406 C VAL A 41 -13.195 -10.837 -5.882 1.00 0.00 C ATOM 407 O VAL A 41 -13.325 -11.101 -7.060 1.00 0.00 O ATOM 408 CB VAL A 41 -15.166 -10.948 -4.334 1.00 0.00 C ATOM 409 CG1 VAL A 41 -16.020 -10.556 -5.550 1.00 0.00 C ATOM 410 CG2 VAL A 41 -15.968 -11.878 -3.418 1.00 0.00 C ATOM 0 H VAL A 41 -13.239 -11.334 -2.798 1.00 0.00 H new ATOM 0 HA VAL A 41 -14.153 -12.646 -5.198 1.00 0.00 H new ATOM 0 HB VAL A 41 -14.892 -10.045 -3.788 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -16.923 -10.048 -5.212 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -15.449 -9.889 -6.196 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -16.295 -11.452 -6.106 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -16.874 -11.370 -3.088 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -16.237 -12.783 -3.963 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -15.364 -12.144 -2.550 1.00 0.00 H new ATOM 420 N GLN A 42 -12.471 -9.827 -5.492 1.00 0.00 N ATOM 421 CA GLN A 42 -11.783 -8.967 -6.497 1.00 0.00 C ATOM 422 C GLN A 42 -10.496 -9.643 -6.984 1.00 0.00 C ATOM 423 O GLN A 42 -9.915 -10.468 -6.305 1.00 0.00 O ATOM 424 CB GLN A 42 -11.430 -7.626 -5.852 1.00 0.00 C ATOM 425 CG GLN A 42 -12.704 -6.938 -5.351 1.00 0.00 C ATOM 426 CD GLN A 42 -13.653 -6.690 -6.523 1.00 0.00 C ATOM 427 OE1 GLN A 42 -14.819 -7.023 -6.458 1.00 0.00 O ATOM 428 NE2 GLN A 42 -13.197 -6.126 -7.607 1.00 0.00 N ATOM 0 H GLN A 42 -12.325 -9.558 -4.519 1.00 0.00 H new ATOM 0 HA GLN A 42 -12.448 -8.813 -7.347 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -10.740 -7.782 -5.023 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -10.921 -6.988 -6.574 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -13.193 -7.559 -4.600 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -12.453 -5.994 -4.868 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -12.218 -5.846 -7.663 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -13.820 -5.965 -8.399 1.00 0.00 H new ATOM 437 N GLY A 43 -10.050 -9.296 -8.164 1.00 0.00 N ATOM 438 CA GLY A 43 -8.802 -9.903 -8.717 1.00 0.00 C ATOM 439 C GLY A 43 -7.592 -9.059 -8.310 1.00 0.00 C ATOM 440 O GLY A 43 -6.847 -8.583 -9.143 1.00 0.00 O ATOM 0 H GLY A 43 -10.501 -8.613 -8.773 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -8.687 -10.922 -8.347 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -8.866 -9.963 -9.803 1.00 0.00 H new ATOM 444 N TRP A 44 -7.387 -8.871 -7.034 1.00 0.00 N ATOM 445 CA TRP A 44 -6.223 -8.059 -6.582 1.00 0.00 C ATOM 446 C TRP A 44 -4.931 -8.841 -6.821 1.00 0.00 C ATOM 447 O TRP A 44 -4.903 -10.052 -6.723 1.00 0.00 O ATOM 448 CB TRP A 44 -6.342 -7.776 -5.083 1.00 0.00 C ATOM 449 CG TRP A 44 -7.399 -6.754 -4.821 1.00 0.00 C ATOM 450 CD1 TRP A 44 -8.400 -6.414 -5.667 1.00 0.00 C ATOM 451 CD2 TRP A 44 -7.563 -5.931 -3.637 1.00 0.00 C ATOM 452 NE1 TRP A 44 -9.174 -5.438 -5.065 1.00 0.00 N ATOM 453 CE2 TRP A 44 -8.695 -5.106 -3.813 1.00 0.00 C ATOM 454 CE3 TRP A 44 -6.843 -5.828 -2.437 1.00 0.00 C ATOM 455 CZ2 TRP A 44 -9.099 -4.204 -2.826 1.00 0.00 C ATOM 456 CZ3 TRP A 44 -7.241 -4.925 -1.445 1.00 0.00 C ATOM 457 CH2 TRP A 44 -8.369 -4.112 -1.636 1.00 0.00 C ATOM 0 H TRP A 44 -7.974 -9.244 -6.288 1.00 0.00 H new ATOM 0 HA TRP A 44 -6.208 -7.123 -7.140 1.00 0.00 H new ATOM 0 HB2 TRP A 44 -6.580 -8.697 -4.552 1.00 0.00 H new ATOM 0 HB3 TRP A 44 -5.385 -7.424 -4.697 1.00 0.00 H new ATOM 0 HD1 TRP A 44 -8.566 -6.834 -6.648 1.00 0.00 H new ATOM 0 HE1 TRP A 44 -9.998 -5.015 -5.493 1.00 0.00 H new ATOM 0 HE3 TRP A 44 -5.975 -6.451 -2.278 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 -9.968 -3.582 -2.980 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 -6.677 -4.853 -0.527 1.00 0.00 H new ATOM 0 HH2 TRP A 44 -8.673 -3.417 -0.867 1.00 0.00 H new ATOM 468 N THR A 45 -3.851 -8.161 -7.097 1.00 0.00 N ATOM 469 CA THR A 45 -2.559 -8.875 -7.295 1.00 0.00 C ATOM 470 C THR A 45 -1.997 -9.208 -5.915 1.00 0.00 C ATOM 471 O THR A 45 -1.899 -8.349 -5.054 1.00 0.00 O ATOM 472 CB THR A 45 -1.578 -7.980 -8.061 1.00 0.00 C ATOM 473 OG1 THR A 45 -2.066 -7.766 -9.378 1.00 0.00 O ATOM 474 CG2 THR A 45 -0.198 -8.642 -8.129 1.00 0.00 C ATOM 0 H THR A 45 -3.808 -7.146 -7.193 1.00 0.00 H new ATOM 0 HA THR A 45 -2.710 -9.786 -7.874 1.00 0.00 H new ATOM 0 HB THR A 45 -1.487 -7.026 -7.541 1.00 0.00 H new ATOM 0 HG1 THR A 45 -1.441 -7.193 -9.869 1.00 0.00 H new ATOM 0 HG21 THR A 45 0.489 -7.996 -8.676 1.00 0.00 H new ATOM 0 HG22 THR A 45 0.179 -8.801 -7.119 1.00 0.00 H new ATOM 0 HG23 THR A 45 -0.279 -9.601 -8.641 1.00 0.00 H new ATOM 482 N LYS A 46 -1.651 -10.449 -5.691 1.00 0.00 N ATOM 483 CA LYS A 46 -1.120 -10.860 -4.353 1.00 0.00 C ATOM 484 C LYS A 46 0.170 -11.667 -4.521 1.00 0.00 C ATOM 485 O LYS A 46 0.392 -12.303 -5.532 1.00 0.00 O ATOM 486 CB LYS A 46 -2.163 -11.747 -3.662 1.00 0.00 C ATOM 487 CG LYS A 46 -3.521 -11.042 -3.654 1.00 0.00 C ATOM 488 CD LYS A 46 -4.556 -11.941 -2.972 1.00 0.00 C ATOM 489 CE LYS A 46 -5.956 -11.358 -3.180 1.00 0.00 C ATOM 490 NZ LYS A 46 -6.970 -12.277 -2.591 1.00 0.00 N ATOM 0 H LYS A 46 -1.713 -11.200 -6.379 1.00 0.00 H new ATOM 0 HA LYS A 46 -0.914 -9.969 -3.760 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -2.242 -12.702 -4.181 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -1.850 -11.964 -2.641 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -3.446 -10.090 -3.128 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -3.833 -10.818 -4.674 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -4.505 -12.949 -3.384 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -4.338 -12.021 -1.907 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -6.025 -10.376 -2.713 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -6.149 -11.220 -4.244 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -7.860 -11.760 -2.438 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -7.138 -13.071 -3.241 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -6.621 -12.642 -1.682 1.00 0.00 H new ATOM 504 N ARG A 47 1.014 -11.663 -3.516 1.00 0.00 N ATOM 505 CA ARG A 47 2.285 -12.452 -3.584 1.00 0.00 C ATOM 506 C ARG A 47 2.625 -12.965 -2.179 1.00 0.00 C ATOM 507 O ARG A 47 2.543 -12.248 -1.204 1.00 0.00 O ATOM 508 CB ARG A 47 3.428 -11.576 -4.123 1.00 0.00 C ATOM 509 CG ARG A 47 3.509 -10.259 -3.342 1.00 0.00 C ATOM 510 CD ARG A 47 4.801 -9.507 -3.677 1.00 0.00 C ATOM 511 NE ARG A 47 4.734 -8.998 -5.091 1.00 0.00 N ATOM 512 CZ ARG A 47 5.007 -9.753 -6.109 1.00 0.00 C ATOM 513 NH1 ARG A 47 5.476 -10.957 -5.926 1.00 0.00 N ATOM 514 NH2 ARG A 47 4.848 -9.294 -7.319 1.00 0.00 N ATOM 0 H ARG A 47 0.876 -11.145 -2.648 1.00 0.00 H new ATOM 0 HA ARG A 47 2.156 -13.297 -4.261 1.00 0.00 H new ATOM 0 HB2 ARG A 47 4.374 -12.112 -4.043 1.00 0.00 H new ATOM 0 HB3 ARG A 47 3.268 -11.369 -5.181 1.00 0.00 H new ATOM 0 HG2 ARG A 47 2.647 -9.636 -3.581 1.00 0.00 H new ATOM 0 HG3 ARG A 47 3.468 -10.462 -2.272 1.00 0.00 H new ATOM 0 HD2 ARG A 47 4.940 -8.675 -2.986 1.00 0.00 H new ATOM 0 HD3 ARG A 47 5.660 -10.167 -3.557 1.00 0.00 H new ATOM 0 HE ARG A 47 4.465 -8.028 -5.254 1.00 0.00 H new ATOM 0 HH11 ARG A 47 5.629 -11.306 -4.980 1.00 0.00 H new ATOM 0 HH12 ARG A 47 5.690 -11.549 -6.729 1.00 0.00 H new ATOM 0 HH21 ARG A 47 4.509 -8.343 -7.463 1.00 0.00 H new ATOM 0 HH22 ARG A 47 5.062 -9.886 -8.121 1.00 0.00 H new ATOM 528 N LYS A 48 2.983 -14.214 -2.058 1.00 0.00 N ATOM 529 CA LYS A 48 3.306 -14.764 -0.709 1.00 0.00 C ATOM 530 C LYS A 48 4.774 -14.499 -0.371 1.00 0.00 C ATOM 531 O LYS A 48 5.604 -14.333 -1.244 1.00 0.00 O ATOM 532 CB LYS A 48 3.043 -16.268 -0.697 1.00 0.00 C ATOM 533 CG LYS A 48 1.562 -16.529 -0.975 1.00 0.00 C ATOM 534 CD LYS A 48 1.302 -18.034 -0.965 1.00 0.00 C ATOM 535 CE LYS A 48 -0.178 -18.302 -1.242 1.00 0.00 C ATOM 536 NZ LYS A 48 -0.367 -19.747 -1.551 1.00 0.00 N ATOM 0 H LYS A 48 3.066 -14.875 -2.830 1.00 0.00 H new ATOM 0 HA LYS A 48 2.677 -14.276 0.035 1.00 0.00 H new ATOM 0 HB2 LYS A 48 3.658 -16.761 -1.450 1.00 0.00 H new ATOM 0 HB3 LYS A 48 3.322 -16.689 0.269 1.00 0.00 H new ATOM 0 HG2 LYS A 48 0.947 -16.037 -0.221 1.00 0.00 H new ATOM 0 HG3 LYS A 48 1.282 -16.107 -1.940 1.00 0.00 H new ATOM 0 HD2 LYS A 48 1.918 -18.524 -1.719 1.00 0.00 H new ATOM 0 HD3 LYS A 48 1.584 -18.455 0.000 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -0.778 -18.022 -0.376 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -0.520 -17.692 -2.078 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -1.373 -19.933 -1.740 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 0.195 -19.999 -2.389 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -0.056 -20.319 -0.740 1.00 0.00 H new ATOM 550 N LYS A 49 5.100 -14.473 0.894 1.00 0.00 N ATOM 551 CA LYS A 49 6.514 -14.240 1.300 1.00 0.00 C ATOM 552 C LYS A 49 6.769 -14.912 2.650 1.00 0.00 C ATOM 553 O LYS A 49 5.858 -15.106 3.447 1.00 0.00 O ATOM 554 CB LYS A 49 6.793 -12.744 1.438 1.00 0.00 C ATOM 555 CG LYS A 49 6.778 -12.075 0.058 1.00 0.00 C ATOM 556 CD LYS A 49 7.322 -10.639 0.162 1.00 0.00 C ATOM 557 CE LYS A 49 6.248 -9.685 0.711 1.00 0.00 C ATOM 558 NZ LYS A 49 6.916 -8.561 1.428 1.00 0.00 N ATOM 0 H LYS A 49 4.445 -14.604 1.665 1.00 0.00 H new ATOM 0 HA LYS A 49 7.169 -14.658 0.536 1.00 0.00 H new ATOM 0 HB2 LYS A 49 6.043 -12.284 2.082 1.00 0.00 H new ATOM 0 HB3 LYS A 49 7.761 -12.589 1.915 1.00 0.00 H new ATOM 0 HG2 LYS A 49 7.383 -12.652 -0.641 1.00 0.00 H new ATOM 0 HG3 LYS A 49 5.762 -12.060 -0.337 1.00 0.00 H new ATOM 0 HD2 LYS A 49 8.196 -10.623 0.813 1.00 0.00 H new ATOM 0 HD3 LYS A 49 7.650 -10.298 -0.820 1.00 0.00 H new ATOM 0 HE2 LYS A 49 5.635 -9.300 -0.104 1.00 0.00 H new ATOM 0 HE3 LYS A 49 5.581 -10.219 1.387 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 6.202 -7.868 1.729 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 7.414 -8.929 2.263 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 7.599 -8.101 0.793 1.00 0.00 H new ATOM 572 N GLU A 50 8.004 -15.275 2.900 1.00 0.00 N ATOM 573 CA GLU A 50 8.369 -15.948 4.180 1.00 0.00 C ATOM 574 C GLU A 50 7.571 -17.247 4.307 1.00 0.00 C ATOM 575 O GLU A 50 7.329 -17.741 5.391 1.00 0.00 O ATOM 576 CB GLU A 50 8.088 -15.028 5.375 1.00 0.00 C ATOM 577 CG GLU A 50 9.075 -13.857 5.357 1.00 0.00 C ATOM 578 CD GLU A 50 8.835 -12.965 6.576 1.00 0.00 C ATOM 579 OE1 GLU A 50 9.264 -13.342 7.654 1.00 0.00 O ATOM 580 OE2 GLU A 50 8.224 -11.922 6.413 1.00 0.00 O ATOM 0 H GLU A 50 8.784 -15.130 2.259 1.00 0.00 H new ATOM 0 HA GLU A 50 9.435 -16.175 4.176 1.00 0.00 H new ATOM 0 HB2 GLU A 50 7.064 -14.656 5.329 1.00 0.00 H new ATOM 0 HB3 GLU A 50 8.184 -15.585 6.307 1.00 0.00 H new ATOM 0 HG2 GLU A 50 10.099 -14.231 5.363 1.00 0.00 H new ATOM 0 HG3 GLU A 50 8.953 -13.279 4.441 1.00 0.00 H new ATOM 587 N GLY A 51 7.166 -17.799 3.197 1.00 0.00 N ATOM 588 CA GLY A 51 6.384 -19.068 3.222 1.00 0.00 C ATOM 589 C GLY A 51 5.135 -18.890 4.084 1.00 0.00 C ATOM 590 O GLY A 51 4.399 -19.826 4.322 1.00 0.00 O ATOM 0 H GLY A 51 7.345 -17.423 2.266 1.00 0.00 H new ATOM 0 HA2 GLY A 51 6.100 -19.351 2.208 1.00 0.00 H new ATOM 0 HA3 GLY A 51 6.998 -19.877 3.618 1.00 0.00 H new ATOM 594 N VAL A 52 4.880 -17.685 4.525 1.00 0.00 N ATOM 595 CA VAL A 52 3.681 -17.396 5.355 1.00 0.00 C ATOM 596 C VAL A 52 3.362 -18.555 6.317 1.00 0.00 C ATOM 597 O VAL A 52 2.241 -18.709 6.758 1.00 0.00 O ATOM 598 CB VAL A 52 2.489 -17.120 4.439 1.00 0.00 C ATOM 599 CG1 VAL A 52 2.808 -15.917 3.549 1.00 0.00 C ATOM 600 CG2 VAL A 52 2.176 -18.337 3.556 1.00 0.00 C ATOM 0 H VAL A 52 5.469 -16.873 4.338 1.00 0.00 H new ATOM 0 HA VAL A 52 3.888 -16.517 5.966 1.00 0.00 H new ATOM 0 HB VAL A 52 1.617 -16.912 5.059 1.00 0.00 H new ATOM 0 HG11 VAL A 52 1.961 -15.715 2.893 1.00 0.00 H new ATOM 0 HG12 VAL A 52 3.000 -15.044 4.173 1.00 0.00 H new ATOM 0 HG13 VAL A 52 3.690 -16.134 2.946 1.00 0.00 H new ATOM 0 HG21 VAL A 52 1.324 -18.112 2.915 1.00 0.00 H new ATOM 0 HG22 VAL A 52 3.043 -18.571 2.938 1.00 0.00 H new ATOM 0 HG23 VAL A 52 1.939 -19.193 4.187 1.00 0.00 H new ATOM 610 N LYS A 53 4.337 -19.357 6.659 1.00 0.00 N ATOM 611 CA LYS A 53 4.076 -20.482 7.605 1.00 0.00 C ATOM 612 C LYS A 53 3.799 -19.890 8.987 1.00 0.00 C ATOM 613 O LYS A 53 2.931 -20.340 9.711 1.00 0.00 O ATOM 614 CB LYS A 53 5.312 -21.383 7.678 1.00 0.00 C ATOM 615 CG LYS A 53 5.476 -22.134 6.358 1.00 0.00 C ATOM 616 CD LYS A 53 6.723 -23.015 6.423 1.00 0.00 C ATOM 617 CE LYS A 53 6.989 -23.611 5.040 1.00 0.00 C ATOM 618 NZ LYS A 53 7.987 -24.709 5.158 1.00 0.00 N ATOM 0 H LYS A 53 5.298 -19.282 6.326 1.00 0.00 H new ATOM 0 HA LYS A 53 3.223 -21.070 7.266 1.00 0.00 H new ATOM 0 HB2 LYS A 53 6.200 -20.784 7.880 1.00 0.00 H new ATOM 0 HB3 LYS A 53 5.211 -22.091 8.501 1.00 0.00 H new ATOM 0 HG2 LYS A 53 4.595 -22.746 6.164 1.00 0.00 H new ATOM 0 HG3 LYS A 53 5.560 -21.427 5.533 1.00 0.00 H new ATOM 0 HD2 LYS A 53 7.581 -22.428 6.751 1.00 0.00 H new ATOM 0 HD3 LYS A 53 6.583 -23.811 7.155 1.00 0.00 H new ATOM 0 HE2 LYS A 53 6.062 -23.992 4.612 1.00 0.00 H new ATOM 0 HE3 LYS A 53 7.359 -22.840 4.365 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 8.169 -25.115 4.218 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 8.874 -24.332 5.550 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 7.617 -25.448 5.789 1.00 0.00 H new ATOM 632 N GLY A 54 4.533 -18.870 9.348 1.00 0.00 N ATOM 633 CA GLY A 54 4.335 -18.207 10.670 1.00 0.00 C ATOM 634 C GLY A 54 4.499 -16.699 10.480 1.00 0.00 C ATOM 635 O GLY A 54 3.835 -15.902 11.113 1.00 0.00 O ATOM 0 H GLY A 54 5.272 -18.463 8.774 1.00 0.00 H new ATOM 0 HA2 GLY A 54 3.345 -18.435 11.064 1.00 0.00 H new ATOM 0 HA3 GLY A 54 5.060 -18.580 11.394 1.00 0.00 H new ATOM 639 N GLY A 55 5.372 -16.305 9.592 1.00 0.00 N ATOM 640 CA GLY A 55 5.578 -14.854 9.331 1.00 0.00 C ATOM 641 C GLY A 55 4.296 -14.266 8.747 1.00 0.00 C ATOM 642 O GLY A 55 3.935 -13.139 9.026 1.00 0.00 O ATOM 0 H GLY A 55 5.953 -16.930 9.034 1.00 0.00 H new ATOM 0 HA2 GLY A 55 5.841 -14.339 10.255 1.00 0.00 H new ATOM 0 HA3 GLY A 55 6.407 -14.710 8.639 1.00 0.00 H new ATOM 646 N LYS A 56 3.611 -15.024 7.927 1.00 0.00 N ATOM 647 CA LYS A 56 2.347 -14.525 7.310 1.00 0.00 C ATOM 648 C LYS A 56 2.660 -13.270 6.502 1.00 0.00 C ATOM 649 O LYS A 56 2.005 -12.256 6.645 1.00 0.00 O ATOM 650 CB LYS A 56 1.311 -14.196 8.404 1.00 0.00 C ATOM 651 CG LYS A 56 1.117 -15.399 9.343 1.00 0.00 C ATOM 652 CD LYS A 56 0.183 -16.430 8.698 1.00 0.00 C ATOM 653 CE LYS A 56 0.067 -17.657 9.604 1.00 0.00 C ATOM 654 NZ LYS A 56 -0.837 -18.653 8.964 1.00 0.00 N ATOM 0 H LYS A 56 3.876 -15.972 7.658 1.00 0.00 H new ATOM 0 HA LYS A 56 1.930 -15.294 6.660 1.00 0.00 H new ATOM 0 HB2 LYS A 56 1.641 -13.330 8.977 1.00 0.00 H new ATOM 0 HB3 LYS A 56 0.360 -13.930 7.944 1.00 0.00 H new ATOM 0 HG2 LYS A 56 2.081 -15.858 9.562 1.00 0.00 H new ATOM 0 HG3 LYS A 56 0.700 -15.064 10.293 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -0.802 -15.992 8.535 1.00 0.00 H new ATOM 0 HD3 LYS A 56 0.567 -16.722 7.721 1.00 0.00 H new ATOM 0 HE2 LYS A 56 1.051 -18.095 9.771 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -0.323 -17.368 10.580 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -0.920 -19.490 9.576 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -1.777 -18.230 8.826 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -0.446 -18.935 8.043 1.00 0.00 H new ATOM 668 N ALA A 57 3.670 -13.314 5.656 1.00 0.00 N ATOM 669 CA ALA A 57 4.021 -12.103 4.859 1.00 0.00 C ATOM 670 C ALA A 57 3.383 -12.176 3.470 1.00 0.00 C ATOM 671 O ALA A 57 3.835 -12.888 2.597 1.00 0.00 O ATOM 672 CB ALA A 57 5.543 -12.016 4.728 1.00 0.00 C ATOM 0 H ALA A 57 4.257 -14.131 5.489 1.00 0.00 H new ATOM 0 HA ALA A 57 3.642 -11.216 5.366 1.00 0.00 H new ATOM 0 HB1 ALA A 57 5.808 -11.133 4.146 1.00 0.00 H new ATOM 0 HB2 ALA A 57 5.990 -11.945 5.720 1.00 0.00 H new ATOM 0 HB3 ALA A 57 5.916 -12.908 4.225 1.00 0.00 H new ATOM 678 N VAL A 58 2.339 -11.418 3.266 1.00 0.00 N ATOM 679 CA VAL A 58 1.647 -11.381 1.943 1.00 0.00 C ATOM 680 C VAL A 58 1.467 -9.907 1.585 1.00 0.00 C ATOM 681 O VAL A 58 1.434 -9.075 2.461 1.00 0.00 O ATOM 682 CB VAL A 58 0.275 -12.061 2.050 1.00 0.00 C ATOM 683 CG1 VAL A 58 -0.421 -12.028 0.686 1.00 0.00 C ATOM 684 CG2 VAL A 58 0.453 -13.516 2.505 1.00 0.00 C ATOM 0 H VAL A 58 1.928 -10.810 3.975 1.00 0.00 H new ATOM 0 HA VAL A 58 2.225 -11.905 1.182 1.00 0.00 H new ATOM 0 HB VAL A 58 -0.336 -11.529 2.780 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -1.395 -12.511 0.763 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -0.553 -10.993 0.370 1.00 0.00 H new ATOM 0 HG13 VAL A 58 0.189 -12.556 -0.047 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -0.523 -13.996 2.580 1.00 0.00 H new ATOM 0 HG22 VAL A 58 1.066 -14.052 1.780 1.00 0.00 H new ATOM 0 HG23 VAL A 58 0.943 -13.535 3.479 1.00 0.00 H new ATOM 694 N GLU A 59 1.374 -9.558 0.325 1.00 0.00 N ATOM 695 CA GLU A 59 1.212 -8.106 -0.033 1.00 0.00 C ATOM 696 C GLU A 59 0.185 -7.935 -1.150 1.00 0.00 C ATOM 697 O GLU A 59 -0.076 -8.837 -1.920 1.00 0.00 O ATOM 698 CB GLU A 59 2.553 -7.530 -0.492 1.00 0.00 C ATOM 699 CG GLU A 59 3.507 -7.427 0.701 1.00 0.00 C ATOM 700 CD GLU A 59 4.843 -6.850 0.231 1.00 0.00 C ATOM 701 OE1 GLU A 59 5.026 -6.742 -0.970 1.00 0.00 O ATOM 702 OE2 GLU A 59 5.659 -6.525 1.078 1.00 0.00 O ATOM 0 H GLU A 59 1.402 -10.203 -0.465 1.00 0.00 H new ATOM 0 HA GLU A 59 0.864 -7.574 0.852 1.00 0.00 H new ATOM 0 HB2 GLU A 59 2.988 -8.166 -1.263 1.00 0.00 H new ATOM 0 HB3 GLU A 59 2.404 -6.546 -0.936 1.00 0.00 H new ATOM 0 HG2 GLU A 59 3.075 -6.791 1.473 1.00 0.00 H new ATOM 0 HG3 GLU A 59 3.659 -8.410 1.146 1.00 0.00 H new ATOM 709 N TYR A 60 -0.389 -6.758 -1.228 1.00 0.00 N ATOM 710 CA TYR A 60 -1.409 -6.444 -2.273 1.00 0.00 C ATOM 711 C TYR A 60 -1.011 -5.118 -2.939 1.00 0.00 C ATOM 712 O TYR A 60 -0.600 -4.188 -2.274 1.00 0.00 O ATOM 713 CB TYR A 60 -2.779 -6.287 -1.606 1.00 0.00 C ATOM 714 CG TYR A 60 -3.069 -7.489 -0.723 1.00 0.00 C ATOM 715 CD1 TYR A 60 -2.373 -7.665 0.485 1.00 0.00 C ATOM 716 CD2 TYR A 60 -4.037 -8.425 -1.108 1.00 0.00 C ATOM 717 CE1 TYR A 60 -2.649 -8.773 1.298 1.00 0.00 C ATOM 718 CE2 TYR A 60 -4.309 -9.530 -0.292 1.00 0.00 C ATOM 719 CZ TYR A 60 -3.617 -9.704 0.909 1.00 0.00 C ATOM 720 OH TYR A 60 -3.886 -10.796 1.711 1.00 0.00 O ATOM 0 H TYR A 60 -0.186 -5.985 -0.594 1.00 0.00 H new ATOM 0 HA TYR A 60 -1.459 -7.242 -3.014 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -2.800 -5.374 -1.010 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -3.554 -6.189 -2.367 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -1.625 -6.947 0.787 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -4.574 -8.294 -2.036 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -2.113 -8.908 2.226 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -5.056 -10.250 -0.592 1.00 0.00 H new ATOM 0 HH TYR A 60 -4.845 -10.828 1.910 1.00 0.00 H new ATOM 730 N ASP A 61 -1.098 -5.020 -4.241 1.00 0.00 N ATOM 731 CA ASP A 61 -0.687 -3.742 -4.920 1.00 0.00 C ATOM 732 C ASP A 61 -1.865 -2.751 -4.984 1.00 0.00 C ATOM 733 O ASP A 61 -2.869 -3.007 -5.616 1.00 0.00 O ATOM 734 CB ASP A 61 -0.209 -4.052 -6.345 1.00 0.00 C ATOM 735 CG ASP A 61 -1.396 -4.491 -7.206 1.00 0.00 C ATOM 736 OD1 ASP A 61 -2.339 -5.035 -6.654 1.00 0.00 O ATOM 737 OD2 ASP A 61 -1.338 -4.284 -8.405 1.00 0.00 O ATOM 0 H ASP A 61 -1.431 -5.757 -4.862 1.00 0.00 H new ATOM 0 HA ASP A 61 0.120 -3.289 -4.344 1.00 0.00 H new ATOM 0 HB2 ASP A 61 0.262 -3.170 -6.780 1.00 0.00 H new ATOM 0 HB3 ASP A 61 0.546 -4.838 -6.322 1.00 0.00 H new ATOM 742 N VAL A 62 -1.743 -1.609 -4.352 1.00 0.00 N ATOM 743 CA VAL A 62 -2.839 -0.595 -4.396 1.00 0.00 C ATOM 744 C VAL A 62 -2.940 0.015 -5.799 1.00 0.00 C ATOM 745 O VAL A 62 -3.886 0.707 -6.118 1.00 0.00 O ATOM 746 CB VAL A 62 -2.550 0.517 -3.387 1.00 0.00 C ATOM 747 CG1 VAL A 62 -2.566 -0.049 -1.968 1.00 0.00 C ATOM 748 CG2 VAL A 62 -1.175 1.121 -3.672 1.00 0.00 C ATOM 0 H VAL A 62 -0.926 -1.336 -3.805 1.00 0.00 H new ATOM 0 HA VAL A 62 -3.780 -1.085 -4.148 1.00 0.00 H new ATOM 0 HB VAL A 62 -3.317 1.286 -3.477 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -2.359 0.749 -1.255 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -3.546 -0.478 -1.758 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -1.804 -0.823 -1.876 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -0.970 1.914 -2.953 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -0.413 0.347 -3.586 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -1.161 1.534 -4.681 1.00 0.00 H new ATOM 758 N MET A 63 -1.967 -0.223 -6.635 1.00 0.00 N ATOM 759 CA MET A 63 -2.001 0.359 -8.007 1.00 0.00 C ATOM 760 C MET A 63 -3.098 -0.322 -8.828 1.00 0.00 C ATOM 761 O MET A 63 -3.532 0.190 -9.843 1.00 0.00 O ATOM 762 CB MET A 63 -0.637 0.143 -8.675 1.00 0.00 C ATOM 763 CG MET A 63 -0.575 0.910 -10.000 1.00 0.00 C ATOM 764 SD MET A 63 1.047 0.669 -10.770 1.00 0.00 S ATOM 765 CE MET A 63 1.975 1.878 -9.790 1.00 0.00 C ATOM 0 H MET A 63 -1.149 -0.796 -6.427 1.00 0.00 H new ATOM 0 HA MET A 63 -2.214 1.426 -7.951 1.00 0.00 H new ATOM 0 HB2 MET A 63 0.159 0.481 -8.012 1.00 0.00 H new ATOM 0 HB3 MET A 63 -0.474 -0.920 -8.853 1.00 0.00 H new ATOM 0 HG2 MET A 63 -1.361 0.562 -10.670 1.00 0.00 H new ATOM 0 HG3 MET A 63 -0.751 1.971 -9.825 1.00 0.00 H new ATOM 0 HE1 MET A 63 2.952 2.043 -10.245 1.00 0.00 H new ATOM 0 HE2 MET A 63 1.426 2.819 -9.759 1.00 0.00 H new ATOM 0 HE3 MET A 63 2.106 1.501 -8.776 1.00 0.00 H new ATOM 775 N SER A 64 -3.561 -1.467 -8.394 1.00 0.00 N ATOM 776 CA SER A 64 -4.642 -2.179 -9.145 1.00 0.00 C ATOM 777 C SER A 64 -5.981 -1.962 -8.442 1.00 0.00 C ATOM 778 O SER A 64 -7.025 -2.297 -8.967 1.00 0.00 O ATOM 779 CB SER A 64 -4.339 -3.675 -9.175 1.00 0.00 C ATOM 780 OG SER A 64 -4.450 -4.197 -7.856 1.00 0.00 O ATOM 0 H SER A 64 -3.237 -1.941 -7.551 1.00 0.00 H new ATOM 0 HA SER A 64 -4.690 -1.788 -10.161 1.00 0.00 H new ATOM 0 HB2 SER A 64 -5.033 -4.186 -9.842 1.00 0.00 H new ATOM 0 HB3 SER A 64 -3.336 -3.848 -9.565 1.00 0.00 H new ATOM 0 HG SER A 64 -3.701 -4.803 -7.680 1.00 0.00 H new ATOM 786 N MET A 65 -5.974 -1.385 -7.271 1.00 0.00 N ATOM 787 CA MET A 65 -7.260 -1.139 -6.566 1.00 0.00 C ATOM 788 C MET A 65 -7.928 0.085 -7.202 1.00 0.00 C ATOM 789 O MET A 65 -7.247 0.967 -7.688 1.00 0.00 O ATOM 790 CB MET A 65 -6.987 -0.866 -5.081 1.00 0.00 C ATOM 791 CG MET A 65 -6.453 -2.134 -4.409 1.00 0.00 C ATOM 792 SD MET A 65 -5.986 -1.757 -2.701 1.00 0.00 S ATOM 793 CE MET A 65 -4.841 -3.140 -2.449 1.00 0.00 C ATOM 0 H MET A 65 -5.138 -1.076 -6.776 1.00 0.00 H new ATOM 0 HA MET A 65 -7.911 -2.009 -6.650 1.00 0.00 H new ATOM 0 HB2 MET A 65 -6.264 -0.057 -4.978 1.00 0.00 H new ATOM 0 HB3 MET A 65 -7.903 -0.540 -4.588 1.00 0.00 H new ATOM 0 HG2 MET A 65 -7.213 -2.916 -4.426 1.00 0.00 H new ATOM 0 HG3 MET A 65 -5.592 -2.515 -4.958 1.00 0.00 H new ATOM 0 HE1 MET A 65 -4.973 -3.544 -1.445 1.00 0.00 H new ATOM 0 HE2 MET A 65 -5.045 -3.919 -3.183 1.00 0.00 H new ATOM 0 HE3 MET A 65 -3.816 -2.790 -2.567 1.00 0.00 H new ATOM 803 N PRO A 66 -9.237 0.161 -7.214 1.00 0.00 N ATOM 804 CA PRO A 66 -9.939 1.324 -7.820 1.00 0.00 C ATOM 805 C PRO A 66 -9.361 2.647 -7.302 1.00 0.00 C ATOM 806 O PRO A 66 -8.651 2.679 -6.319 1.00 0.00 O ATOM 807 CB PRO A 66 -11.421 1.148 -7.408 1.00 0.00 C ATOM 808 CG PRO A 66 -11.450 0.010 -6.425 1.00 0.00 C ATOM 809 CD PRO A 66 -10.186 -0.819 -6.665 1.00 0.00 C ATOM 0 HA PRO A 66 -9.823 1.359 -8.903 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -11.811 2.061 -6.958 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -12.043 0.929 -8.276 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -11.477 0.385 -5.402 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -12.343 -0.599 -6.566 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -9.815 -1.264 -5.741 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -10.368 -1.637 -7.362 1.00 0.00 H new ATOM 817 N THR A 67 -9.651 3.729 -7.960 1.00 0.00 N ATOM 818 CA THR A 67 -9.116 5.049 -7.515 1.00 0.00 C ATOM 819 C THR A 67 -9.583 5.375 -6.092 1.00 0.00 C ATOM 820 O THR A 67 -8.847 5.932 -5.300 1.00 0.00 O ATOM 821 CB THR A 67 -9.602 6.137 -8.472 1.00 0.00 C ATOM 822 OG1 THR A 67 -9.141 5.849 -9.784 1.00 0.00 O ATOM 823 CG2 THR A 67 -9.066 7.495 -8.024 1.00 0.00 C ATOM 0 H THR A 67 -10.239 3.760 -8.793 1.00 0.00 H new ATOM 0 HA THR A 67 -8.027 5.005 -7.519 1.00 0.00 H new ATOM 0 HB THR A 67 -10.692 6.165 -8.467 1.00 0.00 H new ATOM 0 HG1 THR A 67 -9.453 6.544 -10.400 1.00 0.00 H new ATOM 0 HG21 THR A 67 -9.415 8.268 -8.709 1.00 0.00 H new ATOM 0 HG22 THR A 67 -9.424 7.713 -7.018 1.00 0.00 H new ATOM 0 HG23 THR A 67 -7.976 7.474 -8.025 1.00 0.00 H new ATOM 831 N LYS A 68 -10.809 5.073 -5.776 1.00 0.00 N ATOM 832 CA LYS A 68 -11.347 5.397 -4.422 1.00 0.00 C ATOM 833 C LYS A 68 -10.540 4.707 -3.309 1.00 0.00 C ATOM 834 O LYS A 68 -10.175 5.328 -2.330 1.00 0.00 O ATOM 835 CB LYS A 68 -12.799 4.926 -4.351 1.00 0.00 C ATOM 836 CG LYS A 68 -13.385 5.263 -2.980 1.00 0.00 C ATOM 837 CD LYS A 68 -14.896 5.001 -2.990 1.00 0.00 C ATOM 838 CE LYS A 68 -15.177 3.518 -3.267 1.00 0.00 C ATOM 839 NZ LYS A 68 -15.119 3.265 -4.736 1.00 0.00 N ATOM 0 H LYS A 68 -11.469 4.611 -6.401 1.00 0.00 H new ATOM 0 HA LYS A 68 -11.275 6.474 -4.270 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -13.385 5.405 -5.135 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -12.851 3.851 -4.525 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -12.906 4.659 -2.210 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -13.188 6.307 -2.735 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -15.328 5.287 -2.031 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -15.374 5.617 -3.752 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -14.445 2.896 -2.751 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -16.158 3.244 -2.879 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -15.986 2.777 -5.039 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -15.037 4.170 -5.241 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -14.294 2.671 -4.954 1.00 0.00 H new ATOM 853 N GLU A 69 -10.294 3.431 -3.421 1.00 0.00 N ATOM 854 CA GLU A 69 -9.548 2.720 -2.333 1.00 0.00 C ATOM 855 C GLU A 69 -8.101 3.231 -2.214 1.00 0.00 C ATOM 856 O GLU A 69 -7.641 3.538 -1.132 1.00 0.00 O ATOM 857 CB GLU A 69 -9.540 1.200 -2.617 1.00 0.00 C ATOM 858 CG GLU A 69 -10.767 0.523 -1.984 1.00 0.00 C ATOM 859 CD GLU A 69 -12.046 1.262 -2.387 1.00 0.00 C ATOM 860 OE1 GLU A 69 -12.073 1.822 -3.471 1.00 0.00 O ATOM 861 OE2 GLU A 69 -12.981 1.250 -1.603 1.00 0.00 O ATOM 0 H GLU A 69 -10.573 2.849 -4.211 1.00 0.00 H new ATOM 0 HA GLU A 69 -10.055 2.920 -1.389 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -9.537 1.026 -3.693 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -8.628 0.755 -2.220 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -10.823 -0.517 -2.305 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -10.668 0.517 -0.898 1.00 0.00 H new ATOM 868 N ARG A 70 -7.366 3.299 -3.294 1.00 0.00 N ATOM 869 CA ARG A 70 -5.949 3.761 -3.185 1.00 0.00 C ATOM 870 C ARG A 70 -5.879 5.185 -2.618 1.00 0.00 C ATOM 871 O ARG A 70 -5.027 5.495 -1.811 1.00 0.00 O ATOM 872 CB ARG A 70 -5.262 3.694 -4.558 1.00 0.00 C ATOM 873 CG ARG A 70 -5.839 4.761 -5.488 1.00 0.00 C ATOM 874 CD ARG A 70 -5.214 4.626 -6.877 1.00 0.00 C ATOM 875 NE ARG A 70 -5.744 5.706 -7.750 1.00 0.00 N ATOM 876 CZ ARG A 70 -5.133 6.009 -8.859 1.00 0.00 C ATOM 877 NH1 ARG A 70 -4.059 5.361 -9.214 1.00 0.00 N ATOM 878 NH2 ARG A 70 -5.598 6.962 -9.614 1.00 0.00 N ATOM 0 H ARG A 70 -7.679 3.058 -4.234 1.00 0.00 H new ATOM 0 HA ARG A 70 -5.424 3.098 -2.497 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -4.188 3.843 -4.443 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -5.402 2.705 -4.995 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -6.922 4.653 -5.554 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -5.642 5.754 -5.085 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -4.128 4.694 -6.810 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -5.447 3.650 -7.302 1.00 0.00 H new ATOM 0 HE ARG A 70 -6.588 6.211 -7.480 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -3.695 4.614 -8.622 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -3.583 5.601 -10.083 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -6.438 7.469 -9.336 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -5.122 7.202 -10.484 1.00 0.00 H new ATOM 892 N GLU A 71 -6.761 6.060 -3.016 1.00 0.00 N ATOM 893 CA GLU A 71 -6.712 7.437 -2.479 1.00 0.00 C ATOM 894 C GLU A 71 -6.887 7.376 -0.960 1.00 0.00 C ATOM 895 O GLU A 71 -6.244 8.093 -0.217 1.00 0.00 O ATOM 896 CB GLU A 71 -7.839 8.259 -3.106 1.00 0.00 C ATOM 897 CG GLU A 71 -7.665 9.722 -2.721 1.00 0.00 C ATOM 898 CD GLU A 71 -8.785 10.562 -3.342 1.00 0.00 C ATOM 899 OE1 GLU A 71 -9.512 10.031 -4.168 1.00 0.00 O ATOM 900 OE2 GLU A 71 -8.894 11.724 -2.986 1.00 0.00 O ATOM 0 H GLU A 71 -7.508 5.877 -3.686 1.00 0.00 H new ATOM 0 HA GLU A 71 -5.757 7.905 -2.716 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -7.824 8.152 -4.191 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -8.807 7.893 -2.763 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -7.680 9.826 -1.636 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -6.695 10.084 -3.063 1.00 0.00 H new ATOM 907 N GLN A 72 -7.760 6.521 -0.498 1.00 0.00 N ATOM 908 CA GLN A 72 -7.999 6.397 0.968 1.00 0.00 C ATOM 909 C GLN A 72 -6.783 5.762 1.662 1.00 0.00 C ATOM 910 O GLN A 72 -6.410 6.157 2.749 1.00 0.00 O ATOM 911 CB GLN A 72 -9.239 5.531 1.209 1.00 0.00 C ATOM 912 CG GLN A 72 -9.607 5.563 2.694 1.00 0.00 C ATOM 913 CD GLN A 72 -10.920 4.809 2.911 1.00 0.00 C ATOM 914 OE1 GLN A 72 -11.379 4.102 2.036 1.00 0.00 O ATOM 915 NE2 GLN A 72 -11.552 4.937 4.046 1.00 0.00 N ATOM 0 H GLN A 72 -8.322 5.899 -1.079 1.00 0.00 H new ATOM 0 HA GLN A 72 -8.156 7.392 1.384 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -10.073 5.897 0.609 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -9.046 4.506 0.894 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -8.813 5.109 3.286 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -9.707 6.594 3.033 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -11.166 5.531 4.780 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -12.431 4.443 4.199 1.00 0.00 H new ATOM 924 N VAL A 73 -6.165 4.775 1.058 1.00 0.00 N ATOM 925 CA VAL A 73 -4.987 4.127 1.716 1.00 0.00 C ATOM 926 C VAL A 73 -3.807 5.104 1.729 1.00 0.00 C ATOM 927 O VAL A 73 -3.191 5.332 2.751 1.00 0.00 O ATOM 928 CB VAL A 73 -4.597 2.858 0.948 1.00 0.00 C ATOM 929 CG1 VAL A 73 -3.316 2.265 1.545 1.00 0.00 C ATOM 930 CG2 VAL A 73 -5.728 1.830 1.054 1.00 0.00 C ATOM 0 H VAL A 73 -6.422 4.394 0.148 1.00 0.00 H new ATOM 0 HA VAL A 73 -5.248 3.860 2.740 1.00 0.00 H new ATOM 0 HB VAL A 73 -4.426 3.109 -0.099 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -3.042 1.364 0.997 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -2.509 2.994 1.471 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -3.484 2.015 2.593 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -5.452 0.928 0.508 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -5.898 1.583 2.102 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -6.640 2.247 0.627 1.00 0.00 H new ATOM 940 N ILE A 74 -3.498 5.698 0.612 1.00 0.00 N ATOM 941 CA ILE A 74 -2.371 6.673 0.581 1.00 0.00 C ATOM 942 C ILE A 74 -2.690 7.824 1.544 1.00 0.00 C ATOM 943 O ILE A 74 -1.828 8.315 2.244 1.00 0.00 O ATOM 944 CB ILE A 74 -2.186 7.195 -0.863 1.00 0.00 C ATOM 945 CG1 ILE A 74 -1.284 6.236 -1.661 1.00 0.00 C ATOM 946 CG2 ILE A 74 -1.540 8.589 -0.853 1.00 0.00 C ATOM 947 CD1 ILE A 74 -1.782 4.793 -1.535 1.00 0.00 C ATOM 0 H ILE A 74 -3.974 5.552 -0.278 1.00 0.00 H new ATOM 0 HA ILE A 74 -1.442 6.196 0.895 1.00 0.00 H new ATOM 0 HB ILE A 74 -3.169 7.254 -1.331 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -1.270 6.531 -2.710 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -0.259 6.305 -1.297 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -1.417 8.941 -1.877 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -2.179 9.282 -0.305 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -0.565 8.535 -0.369 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -1.130 4.132 -2.106 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -1.772 4.495 -0.487 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -2.799 4.724 -1.922 1.00 0.00 H new ATOM 959 N ALA A 75 -3.915 8.262 1.579 1.00 0.00 N ATOM 960 CA ALA A 75 -4.273 9.384 2.488 1.00 0.00 C ATOM 961 C ALA A 75 -3.983 8.996 3.944 1.00 0.00 C ATOM 962 O ALA A 75 -3.507 9.802 4.720 1.00 0.00 O ATOM 963 CB ALA A 75 -5.758 9.714 2.327 1.00 0.00 C ATOM 0 H ALA A 75 -4.683 7.893 1.019 1.00 0.00 H new ATOM 0 HA ALA A 75 -3.675 10.258 2.231 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -6.022 10.536 2.992 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -5.956 10.004 1.295 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -6.355 8.837 2.579 1.00 0.00 H new ATOM 969 N HIS A 76 -4.266 7.779 4.330 1.00 0.00 N ATOM 970 CA HIS A 76 -3.999 7.378 5.743 1.00 0.00 C ATOM 971 C HIS A 76 -2.496 7.483 6.013 1.00 0.00 C ATOM 972 O HIS A 76 -2.074 7.944 7.054 1.00 0.00 O ATOM 973 CB HIS A 76 -4.465 5.937 5.976 1.00 0.00 C ATOM 974 CG HIS A 76 -4.325 5.591 7.433 1.00 0.00 C ATOM 975 ND1 HIS A 76 -3.226 5.368 8.224 1.00 0.00 N flip ATOM 976 CD2 HIS A 76 -5.424 5.438 8.262 1.00 0.00 C flip ATOM 977 CE1 HIS A 76 -3.635 5.080 9.523 1.00 0.00 C flip ATOM 978 NE2 HIS A 76 -4.969 5.134 9.491 1.00 0.00 N flip ATOM 0 H HIS A 76 -4.666 7.053 3.736 1.00 0.00 H new ATOM 0 HA HIS A 76 -4.544 8.037 6.418 1.00 0.00 H new ATOM 0 HB2 HIS A 76 -5.503 5.825 5.663 1.00 0.00 H new ATOM 0 HB3 HIS A 76 -3.874 5.250 5.370 1.00 0.00 H new ATOM 0 HD2 HIS A 76 -6.459 5.544 7.974 1.00 0.00 H new ATOM 0 HE1 HIS A 76 -3.008 4.860 10.374 1.00 0.00 H new ATOM 0 HE2 HIS A 76 -5.569 4.966 10.299 1.00 0.00 H new ATOM 986 N LEU A 77 -1.683 7.079 5.076 1.00 0.00 N ATOM 987 CA LEU A 77 -0.206 7.178 5.270 1.00 0.00 C ATOM 988 C LEU A 77 0.253 8.563 4.812 1.00 0.00 C ATOM 989 O LEU A 77 1.374 8.973 5.045 1.00 0.00 O ATOM 990 CB LEU A 77 0.494 6.109 4.424 1.00 0.00 C ATOM 991 CG LEU A 77 0.082 4.710 4.909 1.00 0.00 C ATOM 992 CD1 LEU A 77 0.578 3.653 3.914 1.00 0.00 C ATOM 993 CD2 LEU A 77 0.682 4.427 6.304 1.00 0.00 C ATOM 0 H LEU A 77 -1.977 6.684 4.183 1.00 0.00 H new ATOM 0 HA LEU A 77 0.043 7.026 6.320 1.00 0.00 H new ATOM 0 HB2 LEU A 77 0.230 6.232 3.374 1.00 0.00 H new ATOM 0 HB3 LEU A 77 1.575 6.225 4.496 1.00 0.00 H new ATOM 0 HG LEU A 77 -1.005 4.668 4.977 1.00 0.00 H new ATOM 0 HD11 LEU A 77 0.285 2.662 4.260 1.00 0.00 H new ATOM 0 HD12 LEU A 77 0.138 3.840 2.935 1.00 0.00 H new ATOM 0 HD13 LEU A 77 1.664 3.705 3.840 1.00 0.00 H new ATOM 0 HD21 LEU A 77 0.382 3.433 6.634 1.00 0.00 H new ATOM 0 HD22 LEU A 77 1.769 4.478 6.250 1.00 0.00 H new ATOM 0 HD23 LEU A 77 0.319 5.170 7.014 1.00 0.00 H new ATOM 1005 N GLY A 78 -0.612 9.283 4.147 1.00 0.00 N ATOM 1006 CA GLY A 78 -0.243 10.639 3.649 1.00 0.00 C ATOM 1007 C GLY A 78 -0.327 11.664 4.782 1.00 0.00 C ATOM 1008 O GLY A 78 0.195 12.756 4.676 1.00 0.00 O ATOM 0 H GLY A 78 -1.563 8.987 3.927 1.00 0.00 H new ATOM 0 HA2 GLY A 78 0.767 10.621 3.240 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -0.910 10.929 2.837 1.00 0.00 H new ATOM 1012 N LEU A 79 -0.980 11.332 5.867 1.00 0.00 N ATOM 1013 CA LEU A 79 -1.089 12.308 6.997 1.00 0.00 C ATOM 1014 C LEU A 79 0.098 12.122 7.941 1.00 0.00 C ATOM 1015 O LEU A 79 0.069 12.535 9.084 1.00 0.00 O ATOM 1016 CB LEU A 79 -2.409 12.107 7.762 1.00 0.00 C ATOM 1017 CG LEU A 79 -2.730 10.618 7.922 1.00 0.00 C ATOM 1018 CD1 LEU A 79 -1.622 9.923 8.729 1.00 0.00 C ATOM 1019 CD2 LEU A 79 -4.068 10.484 8.660 1.00 0.00 C ATOM 0 H LEU A 79 -1.440 10.434 6.020 1.00 0.00 H new ATOM 0 HA LEU A 79 -1.080 13.321 6.594 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -2.339 12.575 8.744 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -3.221 12.602 7.230 1.00 0.00 H new ATOM 0 HG LEU A 79 -2.793 10.147 6.941 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -1.860 8.865 8.837 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -0.671 10.030 8.208 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -1.549 10.381 9.715 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -4.312 9.429 8.782 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -3.992 10.955 9.640 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -4.853 10.973 8.083 1.00 0.00 H new ATOM 1031 N SER A 80 1.148 11.512 7.465 1.00 0.00 N ATOM 1032 CA SER A 80 2.347 11.307 8.324 1.00 0.00 C ATOM 1033 C SER A 80 1.949 10.582 9.611 1.00 0.00 C ATOM 1034 O SER A 80 1.369 11.161 10.510 1.00 0.00 O ATOM 1035 CB SER A 80 2.962 12.663 8.663 1.00 0.00 C ATOM 1036 OG SER A 80 2.299 13.214 9.792 1.00 0.00 O ATOM 0 H SER A 80 1.227 11.146 6.516 1.00 0.00 H new ATOM 0 HA SER A 80 3.077 10.700 7.788 1.00 0.00 H new ATOM 0 HB2 SER A 80 4.026 12.550 8.872 1.00 0.00 H new ATOM 0 HB3 SER A 80 2.874 13.337 7.811 1.00 0.00 H new ATOM 0 HG SER A 80 1.477 12.709 9.967 1.00 0.00 H new ATOM 1042 N THR A 81 2.253 9.316 9.702 1.00 0.00 N ATOM 1043 CA THR A 81 1.895 8.540 10.921 1.00 0.00 C ATOM 1044 C THR A 81 2.665 9.090 12.125 1.00 0.00 C ATOM 1045 O THR A 81 3.156 10.201 12.109 1.00 0.00 O ATOM 1046 CB THR A 81 2.260 7.067 10.713 1.00 0.00 C ATOM 1047 OG1 THR A 81 3.586 6.975 10.215 1.00 0.00 O ATOM 1048 CG2 THR A 81 1.289 6.428 9.715 1.00 0.00 C ATOM 0 H THR A 81 2.737 8.784 8.979 1.00 0.00 H new ATOM 0 HA THR A 81 0.824 8.629 11.105 1.00 0.00 H new ATOM 0 HB THR A 81 2.192 6.540 11.665 1.00 0.00 H new ATOM 0 HG1 THR A 81 3.821 6.033 10.083 1.00 0.00 H new ATOM 0 HG21 THR A 81 1.553 5.380 9.570 1.00 0.00 H new ATOM 0 HG22 THR A 81 0.272 6.496 10.102 1.00 0.00 H new ATOM 0 HG23 THR A 81 1.350 6.952 8.761 1.00 0.00 H new TER 1056 THR A 81