USER MOD reduce.3.24.130724 H: found=0, std=0, add=886, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 723 hydrogens (15 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 NoAdj-H: B 4 MCL H2 : B 4 MCL N : B 3 PHE C :(H bumps) USER MOD Set 1.1: A 19 LYS NZ :NH3+ 173:sc= 1.14 (180deg=0) USER MOD Set 1.2: A 93 TYR OH : rot -140:sc= 0.97 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 GLN : amide:sc= -0.239 X(o=-0.24,f=0) USER MOD Single : A 5 ASN :FLIP amide:sc= -0.196 F(o=-1.1,f=-0.2) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ -162:sc= -0.0109 (180deg=-0.202) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 GLN :FLIP amide:sc= -0.333 F(o=-1.1,f=-0.33) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 ASN : amide:sc= -0.875 X(o=-0.87,f=-0.62) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 149:sc= -0.203 (180deg=-0.583) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 47 GLN : amide:sc= -0.298 X(o=-0.3,f=-0.18) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 61 ASN : amide:sc= -2.28 K(o=-2.3,f=-12!) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 72 GLN : amide:sc=-0.00582 X(o=-0.0058,f=0) USER MOD Single : A 80 GLN : amide:sc= 0.164 K(o=0.16,f=-4.4!) USER MOD Single : A 82 MET CE :methyl -114:sc= -0.132 (180deg=-1.82) USER MOD Single : A 83 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 85 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 87 LYS NZ :NH3+ 166:sc= -0.058 (180deg=-0.315) USER MOD Single : A 89 THR OG1 : rot -130:sc= -0.0117 USER MOD Single : A 90 LYS NZ :NH3+ 132:sc= -2.48! (180deg=-3.06!) USER MOD Single : A 91 SER OG : rot 140:sc= -1.24 USER MOD Single : A 92 ASN : amide:sc= -6.93! C(o=-6.9!,f=-9.9!) USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 GLN : amide:sc= -1.13 X(o=-1.1,f=-0.86) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 1 ASP N :NH3+ -145:sc= 0.036 (180deg=-0.29) USER MOD Single : B 4 MCL O1 : rot 105:sc= -7.38! USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 11.740 0.699 9.728 1.00 0.22 N ATOM 2 CA GLY A 1 10.960 -0.481 9.407 1.00 63.44 C ATOM 3 C GLY A 1 11.677 -1.406 8.445 1.00 45.14 C ATOM 4 O GLY A 1 12.117 -2.491 8.827 1.00 13.41 O ATOM 0 H1 GLY A 1 11.206 1.299 10.389 1.00 0.22 H new ATOM 0 H2 GLY A 1 12.638 0.413 10.168 1.00 0.22 H new ATOM 0 H3 GLY A 1 11.936 1.233 8.857 1.00 0.22 H new ATOM 0 HA2 GLY A 1 10.732 -1.023 10.325 1.00 63.44 H new ATOM 0 HA3 GLY A 1 10.008 -0.176 8.972 1.00 63.44 H new ATOM 8 N SER A 2 11.794 -0.980 7.191 1.00 0.32 N ATOM 9 CA SER A 2 12.458 -1.781 6.170 1.00 51.42 C ATOM 10 C SER A 2 11.751 -3.119 5.983 1.00 24.10 C ATOM 11 O SER A 2 11.955 -4.054 6.756 1.00 24.23 O ATOM 12 CB SER A 2 13.923 -2.014 6.546 1.00 22.04 C ATOM 13 OG SER A 2 14.514 -0.828 7.049 1.00 44.30 O ATOM 0 H SER A 2 11.437 -0.084 6.858 1.00 0.32 H new ATOM 0 HA SER A 2 12.414 -1.232 5.229 1.00 51.42 H new ATOM 0 HB2 SER A 2 13.989 -2.803 7.295 1.00 22.04 H new ATOM 0 HB3 SER A 2 14.476 -2.358 5.672 1.00 22.04 H new ATOM 0 HG SER A 2 15.449 -1.003 7.284 1.00 44.30 H new ATOM 18 N ALA A 3 10.917 -3.201 4.952 1.00 41.50 N ATOM 19 CA ALA A 3 10.180 -4.424 4.662 1.00 44.23 C ATOM 20 C ALA A 3 9.445 -4.929 5.898 1.00 23.22 C ATOM 21 O ALA A 3 9.890 -5.872 6.555 1.00 31.53 O ATOM 22 CB ALA A 3 11.121 -5.495 4.131 1.00 24.01 C ATOM 0 H ALA A 3 10.735 -2.435 4.304 1.00 41.50 H new ATOM 0 HA ALA A 3 9.437 -4.197 3.897 1.00 44.23 H new ATOM 0 HB1 ALA A 3 10.556 -6.403 3.919 1.00 24.01 H new ATOM 0 HB2 ALA A 3 11.596 -5.141 3.216 1.00 24.01 H new ATOM 0 HB3 ALA A 3 11.886 -5.710 4.877 1.00 24.01 H new ATOM 28 N GLN A 4 8.318 -4.297 6.211 1.00 54.12 N ATOM 29 CA GLN A 4 7.523 -4.682 7.371 1.00 71.32 C ATOM 30 C GLN A 4 6.433 -5.675 6.979 1.00 22.21 C ATOM 31 O GLN A 4 5.719 -5.472 5.999 1.00 74.34 O ATOM 32 CB GLN A 4 6.895 -3.447 8.018 1.00 71.52 C ATOM 33 CG GLN A 4 7.150 -3.346 9.513 1.00 1.33 C ATOM 34 CD GLN A 4 6.423 -2.181 10.152 1.00 23.14 C ATOM 35 OE1 GLN A 4 7.035 -1.175 10.515 1.00 42.14 O ATOM 36 NE2 GLN A 4 5.108 -2.307 10.295 1.00 41.41 N ATOM 0 H GLN A 4 7.935 -3.516 5.678 1.00 54.12 H new ATOM 0 HA GLN A 4 8.186 -5.163 8.090 1.00 71.32 H new ATOM 0 HB2 GLN A 4 7.285 -2.554 7.530 1.00 71.52 H new ATOM 0 HB3 GLN A 4 5.819 -3.462 7.842 1.00 71.52 H new ATOM 0 HG2 GLN A 4 6.837 -4.273 9.994 1.00 1.33 H new ATOM 0 HG3 GLN A 4 8.221 -3.241 9.689 1.00 1.33 H new ATOM 0 HE21 GLN A 4 4.640 -3.157 9.981 1.00 41.41 H new ATOM 0 HE22 GLN A 4 4.567 -1.554 10.719 1.00 41.41 H new ATOM 43 N ASN A 5 6.313 -6.749 7.751 1.00 22.15 N ATOM 44 CA ASN A 5 5.310 -7.774 7.483 1.00 1.34 C ATOM 45 C ASN A 5 3.993 -7.444 8.180 1.00 35.32 C ATOM 46 O ASN A 5 3.944 -7.304 9.402 1.00 75.43 O ATOM 47 CB ASN A 5 5.813 -9.143 7.947 1.00 52.52 C ATOM 48 CG ASN A 5 6.289 -9.128 9.387 1.00 62.30 C ATOM 49 OD1 ASN A 5 7.536 -8.722 9.594 1.00 2.53 O flip ATOM 50 ND2 ASN A 5 5.541 -9.476 10.301 1.00 14.10 N flip ATOM 0 H ASN A 5 6.897 -6.933 8.567 1.00 22.15 H new ATOM 0 HA ASN A 5 5.135 -7.802 6.407 1.00 1.34 H new ATOM 0 HB2 ASN A 5 5.014 -9.876 7.839 1.00 52.52 H new ATOM 0 HB3 ASN A 5 6.630 -9.465 7.301 1.00 52.52 H new ATOM 0 HD21 ASN A 5 4.590 -9.781 10.094 1.00 14.10 H new ATOM 0 HD22 ASN A 5 5.872 -9.460 11.266 1.00 14.10 H new ATOM 56 N ILE A 6 2.929 -7.319 7.393 1.00 11.54 N ATOM 57 CA ILE A 6 1.613 -7.006 7.935 1.00 43.43 C ATOM 58 C ILE A 6 0.590 -8.068 7.541 1.00 75.14 C ATOM 59 O ILE A 6 0.350 -8.306 6.357 1.00 52.41 O ATOM 60 CB ILE A 6 1.119 -5.630 7.452 1.00 34.13 C ATOM 61 CG1 ILE A 6 1.878 -4.511 8.168 1.00 51.10 C ATOM 62 CG2 ILE A 6 -0.378 -5.492 7.684 1.00 65.23 C ATOM 63 CD1 ILE A 6 3.295 -4.326 7.667 1.00 64.31 C ATOM 0 H ILE A 6 2.953 -7.430 6.379 1.00 11.54 H new ATOM 0 HA ILE A 6 1.714 -6.987 9.020 1.00 43.43 H new ATOM 0 HB ILE A 6 1.311 -5.548 6.382 1.00 34.13 H new ATOM 0 HG12 ILE A 6 1.332 -3.576 8.044 1.00 51.10 H new ATOM 0 HG13 ILE A 6 1.904 -4.726 9.236 1.00 51.10 H new ATOM 0 HG21 ILE A 6 -0.711 -4.514 7.337 1.00 65.23 H new ATOM 0 HG22 ILE A 6 -0.905 -6.271 7.133 1.00 65.23 H new ATOM 0 HG23 ILE A 6 -0.592 -5.592 8.748 1.00 65.23 H new ATOM 0 HD11 ILE A 6 3.773 -3.517 8.219 1.00 64.31 H new ATOM 0 HD12 ILE A 6 3.857 -5.248 7.816 1.00 64.31 H new ATOM 0 HD13 ILE A 6 3.276 -4.080 6.605 1.00 64.31 H new ATOM 74 N THR A 7 -0.012 -8.700 8.541 1.00 4.45 N ATOM 75 CA THR A 7 -1.010 -9.735 8.302 1.00 53.43 C ATOM 76 C THR A 7 -2.422 -9.168 8.388 1.00 3.33 C ATOM 77 O THR A 7 -2.705 -8.307 9.220 1.00 63.31 O ATOM 78 CB THR A 7 -0.871 -10.895 9.308 1.00 73.04 C ATOM 79 OG1 THR A 7 -0.915 -10.390 10.646 1.00 73.21 O ATOM 80 CG2 THR A 7 0.432 -11.649 9.087 1.00 21.24 C ATOM 0 H THR A 7 0.174 -8.514 9.526 1.00 4.45 H new ATOM 0 HA THR A 7 -0.835 -10.115 7.296 1.00 53.43 H new ATOM 0 HB THR A 7 -1.702 -11.584 9.153 1.00 73.04 H new ATOM 0 HG1 THR A 7 -0.828 -11.133 11.279 1.00 73.21 H new ATOM 0 HG21 THR A 7 0.508 -12.463 9.808 1.00 21.24 H new ATOM 0 HG22 THR A 7 0.449 -12.057 8.076 1.00 21.24 H new ATOM 0 HG23 THR A 7 1.273 -10.968 9.218 1.00 21.24 H new ATOM 88 N ALA A 8 -3.305 -9.659 7.525 1.00 3.23 N ATOM 89 CA ALA A 8 -4.690 -9.203 7.507 1.00 12.03 C ATOM 90 C ALA A 8 -5.637 -10.337 7.132 1.00 54.23 C ATOM 91 O ALA A 8 -5.203 -11.400 6.688 1.00 51.41 O ATOM 92 CB ALA A 8 -4.848 -8.038 6.540 1.00 65.22 C ATOM 0 H ALA A 8 -3.086 -10.372 6.829 1.00 3.23 H new ATOM 0 HA ALA A 8 -4.950 -8.866 8.511 1.00 12.03 H new ATOM 0 HB1 ALA A 8 -5.886 -7.707 6.536 1.00 65.22 H new ATOM 0 HB2 ALA A 8 -4.206 -7.215 6.854 1.00 65.22 H new ATOM 0 HB3 ALA A 8 -4.565 -8.357 5.537 1.00 65.22 H new ATOM 98 N ARG A 9 -6.933 -10.105 7.314 1.00 0.11 N ATOM 99 CA ARG A 9 -7.941 -11.108 6.997 1.00 44.53 C ATOM 100 C ARG A 9 -8.871 -10.615 5.894 1.00 22.13 C ATOM 101 O ARG A 9 -9.176 -9.425 5.811 1.00 5.42 O ATOM 102 CB ARG A 9 -8.753 -11.459 8.246 1.00 14.11 C ATOM 103 CG ARG A 9 -8.288 -12.729 8.938 1.00 4.44 C ATOM 104 CD ARG A 9 -7.479 -12.417 10.189 1.00 50.31 C ATOM 105 NE ARG A 9 -7.486 -13.528 11.136 1.00 50.42 N ATOM 106 CZ ARG A 9 -6.734 -14.616 10.998 1.00 62.40 C ATOM 107 NH1 ARG A 9 -5.922 -14.737 9.958 1.00 42.43 N ATOM 108 NH2 ARG A 9 -6.796 -15.585 11.904 1.00 64.54 N ATOM 0 H ARG A 9 -7.309 -9.230 7.680 1.00 0.11 H new ATOM 0 HA ARG A 9 -7.428 -12.002 6.643 1.00 44.53 H new ATOM 0 HB2 ARG A 9 -8.696 -10.630 8.951 1.00 14.11 H new ATOM 0 HB3 ARG A 9 -9.801 -11.570 7.968 1.00 14.11 H new ATOM 0 HG2 ARG A 9 -9.152 -13.337 9.204 1.00 4.44 H new ATOM 0 HG3 ARG A 9 -7.683 -13.319 8.250 1.00 4.44 H new ATOM 0 HD2 ARG A 9 -6.451 -12.187 9.908 1.00 50.31 H new ATOM 0 HD3 ARG A 9 -7.885 -11.527 10.671 1.00 50.31 H new ATOM 0 HE ARG A 9 -8.101 -13.466 11.947 1.00 50.42 H new ATOM 0 HH11 ARG A 9 -5.872 -13.994 9.261 1.00 42.43 H new ATOM 0 HH12 ARG A 9 -5.346 -15.573 9.855 1.00 42.43 H new ATOM 0 HH21 ARG A 9 -7.420 -15.495 12.705 1.00 64.54 H new ATOM 0 HH22 ARG A 9 -6.219 -16.420 11.798 1.00 64.54 H new ATOM 119 N ILE A 10 -9.320 -11.537 5.048 1.00 0.01 N ATOM 120 CA ILE A 10 -10.215 -11.196 3.950 1.00 31.51 C ATOM 121 C ILE A 10 -11.424 -10.411 4.451 1.00 12.55 C ATOM 122 O ILE A 10 -12.186 -10.890 5.289 1.00 51.53 O ATOM 123 CB ILE A 10 -10.706 -12.455 3.211 1.00 51.01 C ATOM 124 CG1 ILE A 10 -9.544 -13.128 2.480 1.00 61.12 C ATOM 125 CG2 ILE A 10 -11.817 -12.096 2.235 1.00 42.33 C ATOM 126 CD1 ILE A 10 -9.634 -14.638 2.463 1.00 74.40 C ATOM 0 H ILE A 10 -9.078 -12.526 5.103 1.00 0.01 H new ATOM 0 HA ILE A 10 -9.644 -10.578 3.257 1.00 31.51 H new ATOM 0 HB ILE A 10 -11.105 -13.157 3.943 1.00 51.01 H new ATOM 0 HG12 ILE A 10 -9.511 -12.763 1.454 1.00 61.12 H new ATOM 0 HG13 ILE A 10 -8.608 -12.833 2.954 1.00 61.12 H new ATOM 0 HG21 ILE A 10 -12.154 -12.996 1.720 1.00 42.33 H new ATOM 0 HG22 ILE A 10 -12.652 -11.656 2.780 1.00 42.33 H new ATOM 0 HG23 ILE A 10 -11.442 -11.379 1.505 1.00 42.33 H new ATOM 0 HD11 ILE A 10 -8.777 -15.048 1.928 1.00 74.40 H new ATOM 0 HD12 ILE A 10 -9.636 -15.014 3.486 1.00 74.40 H new ATOM 0 HD13 ILE A 10 -10.553 -14.942 1.963 1.00 74.40 H new ATOM 137 N GLY A 11 -11.594 -9.199 3.930 1.00 60.11 N ATOM 138 CA GLY A 11 -12.712 -8.368 4.334 1.00 51.22 C ATOM 139 C GLY A 11 -12.381 -7.489 5.523 1.00 33.24 C ATOM 140 O GLY A 11 -13.252 -6.803 6.057 1.00 13.45 O ATOM 0 H GLY A 11 -10.977 -8.779 3.235 1.00 60.11 H new ATOM 0 HA2 GLY A 11 -13.016 -7.741 3.496 1.00 51.22 H new ATOM 0 HA3 GLY A 11 -13.562 -9.004 4.581 1.00 51.22 H new ATOM 144 N GLU A 12 -11.117 -7.510 5.940 1.00 23.32 N ATOM 145 CA GLU A 12 -10.674 -6.710 7.075 1.00 23.44 C ATOM 146 C GLU A 12 -9.939 -5.458 6.607 1.00 42.24 C ATOM 147 O GLU A 12 -9.170 -5.484 5.645 1.00 54.52 O ATOM 148 CB GLU A 12 -9.766 -7.538 7.987 1.00 31.34 C ATOM 149 CG GLU A 12 -10.440 -8.775 8.558 1.00 63.44 C ATOM 150 CD GLU A 12 -11.867 -8.510 8.999 1.00 41.01 C ATOM 151 OE1 GLU A 12 -12.052 -7.859 10.049 1.00 51.45 O ATOM 152 OE2 GLU A 12 -12.799 -8.955 8.295 1.00 4.45 O ATOM 0 H GLU A 12 -10.384 -8.072 5.508 1.00 23.32 H new ATOM 0 HA GLU A 12 -11.557 -6.402 7.635 1.00 23.44 H new ATOM 0 HB2 GLU A 12 -8.882 -7.842 7.426 1.00 31.34 H new ATOM 0 HB3 GLU A 12 -9.421 -6.910 8.809 1.00 31.34 H new ATOM 0 HG2 GLU A 12 -10.436 -9.565 7.808 1.00 63.44 H new ATOM 0 HG3 GLU A 12 -9.863 -9.139 9.408 1.00 63.44 H new ATOM 157 N PRO A 13 -10.179 -4.336 7.299 1.00 41.42 N ATOM 158 CA PRO A 13 -9.549 -3.053 6.973 1.00 65.34 C ATOM 159 C PRO A 13 -8.057 -3.045 7.285 1.00 10.12 C ATOM 160 O PRO A 13 -7.615 -3.640 8.268 1.00 65.10 O ATOM 161 CB PRO A 13 -10.290 -2.057 7.867 1.00 15.35 C ATOM 162 CG PRO A 13 -10.781 -2.869 9.015 1.00 43.22 C ATOM 163 CD PRO A 13 -11.084 -4.233 8.456 1.00 0.12 C ATOM 0 HA PRO A 13 -9.617 -2.823 5.910 1.00 65.34 H new ATOM 0 HB2 PRO A 13 -9.629 -1.258 8.202 1.00 15.35 H new ATOM 0 HB3 PRO A 13 -11.116 -1.585 7.334 1.00 15.35 H new ATOM 0 HG2 PRO A 13 -10.029 -2.928 9.802 1.00 43.22 H new ATOM 0 HG3 PRO A 13 -11.671 -2.422 9.457 1.00 43.22 H new ATOM 0 HD2 PRO A 13 -10.893 -5.019 9.187 1.00 0.12 H new ATOM 0 HD3 PRO A 13 -12.129 -4.322 8.158 1.00 0.12 H new ATOM 168 N LEU A 14 -7.285 -2.365 6.444 1.00 34.43 N ATOM 169 CA LEU A 14 -5.840 -2.277 6.633 1.00 61.42 C ATOM 170 C LEU A 14 -5.325 -0.895 6.244 1.00 41.11 C ATOM 171 O LEU A 14 -5.792 -0.296 5.275 1.00 71.01 O ATOM 172 CB LEU A 14 -5.133 -3.351 5.805 1.00 75.51 C ATOM 173 CG LEU A 14 -3.628 -3.489 6.032 1.00 2.01 C ATOM 174 CD1 LEU A 14 -3.339 -3.868 7.476 1.00 52.12 C ATOM 175 CD2 LEU A 14 -3.037 -4.520 5.080 1.00 11.13 C ATOM 0 H LEU A 14 -7.635 -1.867 5.625 1.00 34.43 H new ATOM 0 HA LEU A 14 -5.624 -2.441 7.689 1.00 61.42 H new ATOM 0 HB2 LEU A 14 -5.602 -4.312 6.016 1.00 75.51 H new ATOM 0 HB3 LEU A 14 -5.303 -3.139 4.750 1.00 75.51 H new ATOM 0 HG LEU A 14 -3.160 -2.526 5.829 1.00 2.01 H new ATOM 0 HD11 LEU A 14 -2.263 -3.962 7.619 1.00 52.12 H new ATOM 0 HD12 LEU A 14 -3.727 -3.095 8.140 1.00 52.12 H new ATOM 0 HD13 LEU A 14 -3.820 -4.819 7.706 1.00 52.12 H new ATOM 0 HD21 LEU A 14 -1.965 -4.605 5.256 1.00 11.13 H new ATOM 0 HD22 LEU A 14 -3.511 -5.487 5.251 1.00 11.13 H new ATOM 0 HD23 LEU A 14 -3.212 -4.207 4.051 1.00 11.13 H new ATOM 186 N VAL A 15 -4.355 -0.396 7.003 1.00 70.21 N ATOM 187 CA VAL A 15 -3.772 0.913 6.737 1.00 55.42 C ATOM 188 C VAL A 15 -2.266 0.810 6.521 1.00 11.31 C ATOM 189 O VAL A 15 -1.603 -0.059 7.089 1.00 23.34 O ATOM 190 CB VAL A 15 -4.049 1.896 7.889 1.00 35.01 C ATOM 191 CG1 VAL A 15 -3.587 3.298 7.517 1.00 11.44 C ATOM 192 CG2 VAL A 15 -5.526 1.892 8.250 1.00 64.04 C ATOM 0 H VAL A 15 -3.956 -0.879 7.808 1.00 70.21 H new ATOM 0 HA VAL A 15 -4.241 1.290 5.828 1.00 55.42 H new ATOM 0 HB VAL A 15 -3.484 1.572 8.763 1.00 35.01 H new ATOM 0 HG11 VAL A 15 -3.791 3.979 8.343 1.00 11.44 H new ATOM 0 HG12 VAL A 15 -2.516 3.286 7.312 1.00 11.44 H new ATOM 0 HG13 VAL A 15 -4.123 3.634 6.629 1.00 11.44 H new ATOM 0 HG21 VAL A 15 -5.703 2.593 9.066 1.00 64.04 H new ATOM 0 HG22 VAL A 15 -6.114 2.190 7.382 1.00 64.04 H new ATOM 0 HG23 VAL A 15 -5.822 0.890 8.561 1.00 64.04 H new ATOM 202 N LEU A 16 -1.729 1.704 5.697 1.00 23.44 N ATOM 203 CA LEU A 16 -0.299 1.716 5.407 1.00 4.10 C ATOM 204 C LEU A 16 0.278 3.118 5.567 1.00 2.11 C ATOM 205 O LEU A 16 -0.398 4.113 5.303 1.00 14.13 O ATOM 206 CB LEU A 16 -0.043 1.205 3.987 1.00 10.25 C ATOM 207 CG LEU A 16 -0.316 -0.281 3.749 1.00 52.33 C ATOM 208 CD1 LEU A 16 -0.364 -0.581 2.259 1.00 11.42 C ATOM 209 CD2 LEU A 16 0.741 -1.134 4.434 1.00 14.43 C ATOM 0 H LEU A 16 -2.262 2.430 5.218 1.00 23.44 H new ATOM 0 HA LEU A 16 0.197 1.057 6.119 1.00 4.10 H new ATOM 0 HB2 LEU A 16 -0.660 1.782 3.298 1.00 10.25 H new ATOM 0 HB3 LEU A 16 0.997 1.408 3.731 1.00 10.25 H new ATOM 0 HG LEU A 16 -1.286 -0.527 4.180 1.00 52.33 H new ATOM 0 HD11 LEU A 16 -0.559 -1.643 2.108 1.00 11.42 H new ATOM 0 HD12 LEU A 16 -1.159 0.004 1.796 1.00 11.42 H new ATOM 0 HD13 LEU A 16 0.591 -0.319 1.804 1.00 11.42 H new ATOM 0 HD21 LEU A 16 0.531 -2.188 4.254 1.00 14.43 H new ATOM 0 HD22 LEU A 16 1.724 -0.887 4.033 1.00 14.43 H new ATOM 0 HD23 LEU A 16 0.727 -0.939 5.506 1.00 14.43 H new ATOM 220 N LYS A 17 1.532 3.190 6.002 1.00 62.33 N ATOM 221 CA LYS A 17 2.203 4.470 6.194 1.00 11.20 C ATOM 222 C LYS A 17 3.343 4.642 5.195 1.00 32.25 C ATOM 223 O LYS A 17 3.926 3.663 4.727 1.00 12.33 O ATOM 224 CB LYS A 17 2.742 4.576 7.622 1.00 40.14 C ATOM 225 CG LYS A 17 3.211 5.973 7.992 1.00 75.01 C ATOM 226 CD LYS A 17 3.078 6.229 9.484 1.00 10.30 C ATOM 227 CE LYS A 17 1.692 6.746 9.840 1.00 41.12 C ATOM 228 NZ LYS A 17 1.484 8.142 9.369 1.00 33.14 N ATOM 0 H LYS A 17 2.104 2.376 6.228 1.00 62.33 H new ATOM 0 HA LYS A 17 1.474 5.263 6.027 1.00 11.20 H new ATOM 0 HB2 LYS A 17 1.964 4.266 8.319 1.00 40.14 H new ATOM 0 HB3 LYS A 17 3.572 3.880 7.741 1.00 40.14 H new ATOM 0 HG2 LYS A 17 4.251 6.100 7.691 1.00 75.01 H new ATOM 0 HG3 LYS A 17 2.628 6.711 7.442 1.00 75.01 H new ATOM 0 HD2 LYS A 17 3.275 5.307 10.031 1.00 10.30 H new ATOM 0 HD3 LYS A 17 3.829 6.953 9.798 1.00 10.30 H new ATOM 0 HE2 LYS A 17 0.937 6.097 9.397 1.00 41.12 H new ATOM 0 HE3 LYS A 17 1.555 6.703 10.920 1.00 41.12 H new ATOM 0 HZ1 LYS A 17 0.680 8.563 9.876 1.00 33.14 H new ATOM 0 HZ2 LYS A 17 2.341 8.702 9.553 1.00 33.14 H new ATOM 0 HZ3 LYS A 17 1.286 8.138 8.348 1.00 33.14 H new ATOM 238 N CYS A 18 3.658 5.893 4.874 1.00 40.14 N ATOM 239 CA CYS A 18 4.729 6.194 3.931 1.00 23.43 C ATOM 240 C CYS A 18 5.951 6.750 4.656 1.00 12.24 C ATOM 241 O CYS A 18 5.992 7.927 5.013 1.00 13.30 O ATOM 242 CB CYS A 18 4.247 7.196 2.881 1.00 61.42 C ATOM 243 SG CYS A 18 3.633 6.427 1.346 1.00 55.13 S ATOM 0 H CYS A 18 3.187 6.714 5.253 1.00 40.14 H new ATOM 0 HA CYS A 18 5.013 5.266 3.434 1.00 23.43 H new ATOM 0 HB2 CYS A 18 3.453 7.805 3.313 1.00 61.42 H new ATOM 0 HB3 CYS A 18 5.067 7.870 2.634 1.00 61.42 H new ATOM 247 N LYS A 19 6.944 5.894 4.871 1.00 13.53 N ATOM 248 CA LYS A 19 8.169 6.299 5.552 1.00 22.33 C ATOM 249 C LYS A 19 8.874 7.414 4.787 1.00 30.22 C ATOM 250 O LYS A 19 9.245 7.246 3.627 1.00 41.31 O ATOM 251 CB LYS A 19 9.108 5.101 5.709 1.00 14.32 C ATOM 252 CG LYS A 19 9.241 4.616 7.142 1.00 3.34 C ATOM 253 CD LYS A 19 8.047 3.773 7.560 1.00 72.41 C ATOM 254 CE LYS A 19 7.677 4.012 9.016 1.00 54.24 C ATOM 255 NZ LYS A 19 6.220 3.826 9.255 1.00 51.13 N ATOM 0 H LYS A 19 6.925 4.915 4.584 1.00 13.53 H new ATOM 0 HA LYS A 19 7.900 6.674 6.539 1.00 22.33 H new ATOM 0 HB2 LYS A 19 8.744 4.281 5.089 1.00 14.32 H new ATOM 0 HB3 LYS A 19 10.095 5.372 5.333 1.00 14.32 H new ATOM 0 HG2 LYS A 19 10.155 4.031 7.245 1.00 3.34 H new ATOM 0 HG3 LYS A 19 9.334 5.473 7.810 1.00 3.34 H new ATOM 0 HD2 LYS A 19 7.194 4.008 6.924 1.00 72.41 H new ATOM 0 HD3 LYS A 19 8.275 2.718 7.410 1.00 72.41 H new ATOM 0 HE2 LYS A 19 8.240 3.327 9.651 1.00 54.24 H new ATOM 0 HE3 LYS A 19 7.966 5.023 9.303 1.00 54.24 H new ATOM 0 HZ1 LYS A 19 6.026 3.881 10.275 1.00 51.13 H new ATOM 0 HZ2 LYS A 19 5.689 4.572 8.761 1.00 51.13 H new ATOM 0 HZ3 LYS A 19 5.925 2.896 8.896 1.00 51.13 H new ATOM 265 N GLY A 20 9.056 8.554 5.448 1.00 74.12 N ATOM 266 CA GLY A 20 9.718 9.680 4.814 1.00 71.30 C ATOM 267 C GLY A 20 8.881 10.944 4.860 1.00 11.24 C ATOM 268 O GLY A 20 9.414 12.042 5.019 1.00 62.44 O ATOM 0 H GLY A 20 8.757 8.718 6.409 1.00 74.12 H new ATOM 0 HA2 GLY A 20 10.673 9.862 5.308 1.00 71.30 H new ATOM 0 HA3 GLY A 20 9.938 9.431 3.776 1.00 71.30 H new ATOM 272 N ALA A 21 7.569 10.789 4.719 1.00 71.03 N ATOM 273 CA ALA A 21 6.659 11.927 4.744 1.00 22.43 C ATOM 274 C ALA A 21 6.149 12.190 6.157 1.00 2.23 C ATOM 275 O ALA A 21 5.686 11.287 6.855 1.00 63.32 O ATOM 276 CB ALA A 21 5.493 11.691 3.796 1.00 21.44 C ATOM 0 H ALA A 21 7.113 9.887 4.586 1.00 71.03 H new ATOM 0 HA ALA A 21 7.209 12.808 4.414 1.00 22.43 H new ATOM 0 HB1 ALA A 21 4.821 12.549 3.825 1.00 21.44 H new ATOM 0 HB2 ALA A 21 5.870 11.559 2.782 1.00 21.44 H new ATOM 0 HB3 ALA A 21 4.951 10.796 4.101 1.00 21.44 H new ATOM 282 N PRO A 22 6.237 13.455 6.594 1.00 63.24 N ATOM 283 CA PRO A 22 5.788 13.866 7.928 1.00 72.05 C ATOM 284 C PRO A 22 4.271 13.818 8.070 1.00 32.41 C ATOM 285 O PRO A 22 3.577 13.225 7.244 1.00 51.55 O ATOM 286 CB PRO A 22 6.292 15.307 8.043 1.00 63.22 C ATOM 287 CG PRO A 22 6.395 15.786 6.635 1.00 45.12 C ATOM 288 CD PRO A 22 6.778 14.583 5.817 1.00 61.33 C ATOM 0 HA PRO A 22 6.166 13.204 8.707 1.00 72.05 H new ATOM 0 HB2 PRO A 22 5.603 15.923 8.621 1.00 63.22 H new ATOM 0 HB3 PRO A 22 7.257 15.350 8.547 1.00 63.22 H new ATOM 0 HG2 PRO A 22 5.448 16.204 6.295 1.00 45.12 H new ATOM 0 HG3 PRO A 22 7.143 16.574 6.544 1.00 45.12 H new ATOM 0 HD2 PRO A 22 6.348 14.624 4.816 1.00 61.33 H new ATOM 0 HD3 PRO A 22 7.859 14.506 5.697 1.00 61.33 H new ATOM 293 N LYS A 23 3.761 14.446 9.123 1.00 25.12 N ATOM 294 CA LYS A 23 2.325 14.478 9.375 1.00 42.22 C ATOM 295 C LYS A 23 1.562 14.894 8.121 1.00 2.41 C ATOM 296 O LYS A 23 0.598 14.241 7.724 1.00 61.54 O ATOM 297 CB LYS A 23 2.006 15.440 10.520 1.00 14.45 C ATOM 298 CG LYS A 23 2.115 14.805 11.896 1.00 20.15 C ATOM 299 CD LYS A 23 3.505 14.978 12.484 1.00 40.01 C ATOM 300 CE LYS A 23 3.536 14.615 13.960 1.00 34.42 C ATOM 301 NZ LYS A 23 4.770 15.112 14.628 1.00 11.34 N ATOM 0 H LYS A 23 4.321 14.941 9.817 1.00 25.12 H new ATOM 0 HA LYS A 23 2.010 13.473 9.656 1.00 42.22 H new ATOM 0 HB2 LYS A 23 2.684 16.292 10.467 1.00 14.45 H new ATOM 0 HB3 LYS A 23 0.996 15.828 10.387 1.00 14.45 H new ATOM 0 HG2 LYS A 23 1.379 15.253 12.563 1.00 20.15 H new ATOM 0 HG3 LYS A 23 1.878 13.743 11.827 1.00 20.15 H new ATOM 0 HD2 LYS A 23 4.212 14.352 11.940 1.00 40.01 H new ATOM 0 HD3 LYS A 23 3.829 16.011 12.356 1.00 40.01 H new ATOM 0 HE2 LYS A 23 2.661 15.035 14.456 1.00 34.42 H new ATOM 0 HE3 LYS A 23 3.475 13.532 14.069 1.00 34.42 H new ATOM 0 HZ1 LYS A 23 4.753 14.844 15.633 1.00 11.34 H new ATOM 0 HZ2 LYS A 23 5.605 14.692 14.172 1.00 11.34 H new ATOM 0 HZ3 LYS A 23 4.816 16.148 14.547 1.00 11.34 H new ATOM 311 N LYS A 24 2.002 15.984 7.501 1.00 62.43 N ATOM 312 CA LYS A 24 1.362 16.486 6.291 1.00 40.33 C ATOM 313 C LYS A 24 2.244 16.242 5.070 1.00 24.51 C ATOM 314 O LYS A 24 3.471 16.206 5.156 1.00 71.10 O ATOM 315 CB LYS A 24 1.067 17.982 6.428 1.00 2.42 C ATOM 316 CG LYS A 24 2.233 18.871 6.031 1.00 23.23 C ATOM 317 CD LYS A 24 3.413 18.698 6.971 1.00 4.02 C ATOM 318 CE LYS A 24 4.489 19.742 6.713 1.00 2.44 C ATOM 319 NZ LYS A 24 5.333 19.978 7.917 1.00 24.22 N ATOM 0 H LYS A 24 2.799 16.536 7.817 1.00 62.43 H new ATOM 0 HA LYS A 24 0.424 15.948 6.155 1.00 40.33 H new ATOM 0 HB2 LYS A 24 0.204 18.232 5.811 1.00 2.42 H new ATOM 0 HB3 LYS A 24 0.793 18.197 7.461 1.00 2.42 H new ATOM 0 HG2 LYS A 24 2.541 18.635 5.012 1.00 23.23 H new ATOM 0 HG3 LYS A 24 1.914 19.913 6.034 1.00 23.23 H new ATOM 0 HD2 LYS A 24 3.071 18.774 8.003 1.00 4.02 H new ATOM 0 HD3 LYS A 24 3.835 17.701 6.847 1.00 4.02 H new ATOM 0 HE2 LYS A 24 5.120 19.417 5.886 1.00 2.44 H new ATOM 0 HE3 LYS A 24 4.021 20.678 6.408 1.00 2.44 H new ATOM 0 HZ1 LYS A 24 6.054 20.696 7.700 1.00 24.22 H new ATOM 0 HZ2 LYS A 24 4.735 20.313 8.700 1.00 24.22 H new ATOM 0 HZ3 LYS A 24 5.800 19.091 8.193 1.00 24.22 H new ATOM 329 N PRO A 25 1.604 16.070 3.903 1.00 43.11 N ATOM 330 CA PRO A 25 2.310 15.828 2.641 1.00 35.13 C ATOM 331 C PRO A 25 3.070 17.059 2.156 1.00 22.31 C ATOM 332 O PRO A 25 2.481 18.061 1.749 1.00 44.25 O ATOM 333 CB PRO A 25 1.185 15.477 1.666 1.00 25.43 C ATOM 334 CG PRO A 25 -0.026 16.136 2.231 1.00 43.40 C ATOM 335 CD PRO A 25 0.142 16.099 3.726 1.00 62.12 C ATOM 0 HA PRO A 25 3.065 15.048 2.740 1.00 35.13 H new ATOM 0 HB2 PRO A 25 1.403 15.842 0.662 1.00 25.43 H new ATOM 0 HB3 PRO A 25 1.049 14.398 1.590 1.00 25.43 H new ATOM 0 HG2 PRO A 25 -0.115 17.162 1.873 1.00 43.40 H new ATOM 0 HG3 PRO A 25 -0.933 15.613 1.927 1.00 43.40 H new ATOM 0 HD2 PRO A 25 -0.303 16.972 4.202 1.00 62.12 H new ATOM 0 HD3 PRO A 25 -0.333 15.221 4.162 1.00 62.12 H new ATOM 340 N PRO A 26 4.408 16.985 2.200 1.00 73.42 N ATOM 341 CA PRO A 26 5.276 18.085 1.767 1.00 73.10 C ATOM 342 C PRO A 26 5.239 18.293 0.258 1.00 33.41 C ATOM 343 O PRO A 26 4.493 19.136 -0.243 1.00 44.01 O ATOM 344 CB PRO A 26 6.669 17.632 2.211 1.00 52.40 C ATOM 345 CG PRO A 26 6.585 16.145 2.261 1.00 54.51 C ATOM 346 CD PRO A 26 5.177 15.822 2.673 1.00 11.35 C ATOM 0 HA PRO A 26 4.967 19.040 2.192 1.00 73.10 H new ATOM 0 HB2 PRO A 26 7.435 17.962 1.509 1.00 52.40 H new ATOM 0 HB3 PRO A 26 6.929 18.047 3.185 1.00 52.40 H new ATOM 0 HG2 PRO A 26 6.817 15.708 1.289 1.00 54.51 H new ATOM 0 HG3 PRO A 26 7.303 15.738 2.973 1.00 54.51 H new ATOM 0 HD2 PRO A 26 4.827 14.896 2.216 1.00 11.35 H new ATOM 0 HD3 PRO A 26 5.093 15.697 3.752 1.00 11.35 H new ATOM 351 N GLN A 27 6.046 17.521 -0.461 1.00 71.14 N ATOM 352 CA GLN A 27 6.105 17.624 -1.915 1.00 53.15 C ATOM 353 C GLN A 27 5.346 16.475 -2.572 1.00 42.51 C ATOM 354 O GLN A 27 4.753 15.640 -1.890 1.00 43.12 O ATOM 355 CB GLN A 27 7.560 17.626 -2.390 1.00 4.21 C ATOM 356 CG GLN A 27 8.270 18.951 -2.165 1.00 30.41 C ATOM 357 CD GLN A 27 8.630 19.182 -0.711 1.00 2.42 C ATOM 358 OE1 GLN A 27 7.801 19.948 -0.010 1.00 22.35 O flip ATOM 359 NE2 GLN A 27 9.641 18.678 -0.223 1.00 13.20 N flip ATOM 0 H GLN A 27 6.668 16.818 -0.062 1.00 71.14 H new ATOM 0 HA GLN A 27 5.634 18.563 -2.207 1.00 53.15 H new ATOM 0 HB2 GLN A 27 8.105 16.838 -1.870 1.00 4.21 H new ATOM 0 HB3 GLN A 27 7.587 17.384 -3.452 1.00 4.21 H new ATOM 0 HG2 GLN A 27 9.177 18.980 -2.769 1.00 30.41 H new ATOM 0 HG3 GLN A 27 7.631 19.764 -2.511 1.00 30.41 H new ATOM 0 HE21 GLN A 27 10.250 18.096 -0.799 1.00 13.20 H new ATOM 0 HE22 GLN A 27 9.870 18.842 0.757 1.00 13.20 H new ATOM 366 N ARG A 28 5.368 16.441 -3.901 1.00 41.31 N ATOM 367 CA ARG A 28 4.681 15.397 -4.650 1.00 43.35 C ATOM 368 C ARG A 28 5.289 14.028 -4.358 1.00 74.51 C ATOM 369 O ARG A 28 6.511 13.871 -4.342 1.00 51.03 O ATOM 370 CB ARG A 28 4.747 15.688 -6.150 1.00 21.21 C ATOM 371 CG ARG A 28 3.837 14.800 -6.983 1.00 54.44 C ATOM 372 CD ARG A 28 2.415 15.338 -7.020 1.00 14.13 C ATOM 373 NE ARG A 28 2.333 16.619 -7.718 1.00 21.42 N ATOM 374 CZ ARG A 28 1.232 17.363 -7.758 1.00 34.11 C ATOM 375 NH1 ARG A 28 0.131 16.958 -7.143 1.00 64.31 N ATOM 376 NH2 ARG A 28 1.236 18.517 -8.414 1.00 23.43 N ATOM 0 H ARG A 28 5.855 17.125 -4.480 1.00 41.31 H new ATOM 0 HA ARG A 28 3.637 15.386 -4.335 1.00 43.35 H new ATOM 0 HB2 ARG A 28 4.479 16.731 -6.321 1.00 21.21 H new ATOM 0 HB3 ARG A 28 5.775 15.562 -6.491 1.00 21.21 H new ATOM 0 HG2 ARG A 28 4.227 14.729 -7.998 1.00 54.44 H new ATOM 0 HG3 ARG A 28 3.835 13.791 -6.571 1.00 54.44 H new ATOM 0 HD2 ARG A 28 1.766 14.614 -7.513 1.00 14.13 H new ATOM 0 HD3 ARG A 28 2.045 15.456 -6.001 1.00 14.13 H new ATOM 0 HE ARG A 28 3.164 16.960 -8.200 1.00 21.42 H new ATOM 0 HH11 ARG A 28 0.126 16.073 -6.637 1.00 64.31 H new ATOM 0 HH12 ARG A 28 -0.712 17.532 -7.176 1.00 64.31 H new ATOM 0 HH21 ARG A 28 2.083 18.832 -8.887 1.00 23.43 H new ATOM 0 HH22 ARG A 28 0.392 19.089 -8.445 1.00 23.43 H new ATOM 387 N LEU A 29 4.430 13.042 -4.129 1.00 4.43 N ATOM 388 CA LEU A 29 4.883 11.686 -3.836 1.00 50.54 C ATOM 389 C LEU A 29 4.059 10.659 -4.607 1.00 73.41 C ATOM 390 O LEU A 29 2.870 10.859 -4.848 1.00 65.31 O ATOM 391 CB LEU A 29 4.789 11.407 -2.336 1.00 14.44 C ATOM 392 CG LEU A 29 3.581 12.008 -1.615 1.00 43.51 C ATOM 393 CD1 LEU A 29 2.300 11.316 -2.055 1.00 34.34 C ATOM 394 CD2 LEU A 29 3.755 11.905 -0.107 1.00 34.41 C ATOM 0 H LEU A 29 3.416 13.155 -4.140 1.00 4.43 H new ATOM 0 HA LEU A 29 5.923 11.602 -4.150 1.00 50.54 H new ATOM 0 HB2 LEU A 29 4.775 10.327 -2.188 1.00 14.44 H new ATOM 0 HB3 LEU A 29 5.695 11.782 -1.860 1.00 14.44 H new ATOM 0 HG LEU A 29 3.510 13.063 -1.881 1.00 43.51 H new ATOM 0 HD11 LEU A 29 1.451 11.756 -1.532 1.00 34.34 H new ATOM 0 HD12 LEU A 29 2.169 11.442 -3.130 1.00 34.34 H new ATOM 0 HD13 LEU A 29 2.361 10.254 -1.819 1.00 34.34 H new ATOM 0 HD21 LEU A 29 2.886 12.337 0.390 1.00 34.41 H new ATOM 0 HD22 LEU A 29 3.852 10.857 0.177 1.00 34.41 H new ATOM 0 HD23 LEU A 29 4.652 12.447 0.194 1.00 34.41 H new ATOM 405 N GLU A 30 4.702 9.560 -4.991 1.00 62.50 N ATOM 406 CA GLU A 30 4.026 8.501 -5.734 1.00 75.31 C ATOM 407 C GLU A 30 4.265 7.142 -5.082 1.00 75.11 C ATOM 408 O GLU A 30 5.381 6.828 -4.670 1.00 4.23 O ATOM 409 CB GLU A 30 4.513 8.476 -7.184 1.00 34.43 C ATOM 410 CG GLU A 30 3.654 7.620 -8.099 1.00 30.40 C ATOM 411 CD GLU A 30 3.867 7.938 -9.567 1.00 44.02 C ATOM 412 OE1 GLU A 30 4.974 7.668 -10.078 1.00 61.13 O ATOM 413 OE2 GLU A 30 2.927 8.459 -10.203 1.00 11.12 O ATOM 0 H GLU A 30 5.688 9.380 -4.801 1.00 62.50 H new ATOM 0 HA GLU A 30 2.956 8.708 -5.721 1.00 75.31 H new ATOM 0 HB2 GLU A 30 4.535 9.496 -7.569 1.00 34.43 H new ATOM 0 HB3 GLU A 30 5.537 8.104 -7.208 1.00 34.43 H new ATOM 0 HG2 GLU A 30 3.879 6.568 -7.923 1.00 30.40 H new ATOM 0 HG3 GLU A 30 2.604 7.768 -7.848 1.00 30.40 H new ATOM 418 N TRP A 31 3.208 6.343 -4.993 1.00 41.31 N ATOM 419 CA TRP A 31 3.303 5.017 -4.390 1.00 42.02 C ATOM 420 C TRP A 31 2.807 3.945 -5.355 1.00 14.13 C ATOM 421 O TRP A 31 1.872 4.171 -6.125 1.00 13.42 O ATOM 422 CB TRP A 31 2.494 4.966 -3.093 1.00 71.24 C ATOM 423 CG TRP A 31 2.519 6.254 -2.327 1.00 31.30 C ATOM 424 CD1 TRP A 31 3.593 7.074 -2.136 1.00 74.34 C ATOM 425 CD2 TRP A 31 1.417 6.868 -1.648 1.00 52.32 C ATOM 426 NE1 TRP A 31 3.227 8.161 -1.379 1.00 34.33 N ATOM 427 CE2 TRP A 31 1.897 8.058 -1.067 1.00 63.11 C ATOM 428 CE3 TRP A 31 0.072 6.528 -1.476 1.00 31.13 C ATOM 429 CZ2 TRP A 31 1.078 8.907 -0.327 1.00 33.21 C ATOM 430 CZ3 TRP A 31 -0.739 7.372 -0.740 1.00 73.21 C ATOM 431 CH2 TRP A 31 -0.234 8.551 -0.174 1.00 41.55 C ATOM 0 H TRP A 31 2.277 6.589 -5.330 1.00 41.31 H new ATOM 0 HA TRP A 31 4.351 4.821 -4.164 1.00 42.02 H new ATOM 0 HB2 TRP A 31 1.461 4.711 -3.327 1.00 71.24 H new ATOM 0 HB3 TRP A 31 2.884 4.168 -2.461 1.00 71.24 H new ATOM 0 HD1 TRP A 31 4.585 6.895 -2.523 1.00 74.34 H new ATOM 0 HE1 TRP A 31 3.845 8.921 -1.095 1.00 34.33 H new ATOM 0 HE3 TRP A 31 -0.326 5.623 -1.910 1.00 31.13 H new ATOM 0 HZ2 TRP A 31 1.465 9.815 0.111 1.00 33.21 H new ATOM 0 HZ3 TRP A 31 -1.779 7.119 -0.599 1.00 73.21 H new ATOM 0 HH2 TRP A 31 -0.893 9.191 0.394 1.00 41.55 H new ATOM 441 N LYS A 32 3.439 2.778 -5.309 1.00 43.03 N ATOM 442 CA LYS A 32 3.063 1.669 -6.178 1.00 40.21 C ATOM 443 C LYS A 32 3.027 0.357 -5.401 1.00 12.02 C ATOM 444 O LYS A 32 3.860 0.118 -4.526 1.00 12.24 O ATOM 445 CB LYS A 32 4.042 1.554 -7.348 1.00 30.55 C ATOM 446 CG LYS A 32 3.470 0.826 -8.552 1.00 35.10 C ATOM 447 CD LYS A 32 4.097 1.313 -9.848 1.00 4.35 C ATOM 448 CE LYS A 32 5.304 0.472 -10.233 1.00 73.14 C ATOM 449 NZ LYS A 32 5.637 0.608 -11.678 1.00 60.41 N ATOM 0 H LYS A 32 4.215 2.575 -4.679 1.00 43.03 H new ATOM 0 HA LYS A 32 2.065 1.869 -6.567 1.00 40.21 H new ATOM 0 HB2 LYS A 32 4.351 2.554 -7.652 1.00 30.55 H new ATOM 0 HB3 LYS A 32 4.938 1.033 -7.011 1.00 30.55 H new ATOM 0 HG2 LYS A 32 3.640 -0.245 -8.445 1.00 35.10 H new ATOM 0 HG3 LYS A 32 2.391 0.976 -8.590 1.00 35.10 H new ATOM 0 HD2 LYS A 32 3.357 1.277 -10.648 1.00 4.35 H new ATOM 0 HD3 LYS A 32 4.398 2.355 -9.739 1.00 4.35 H new ATOM 0 HE2 LYS A 32 6.163 0.773 -9.633 1.00 73.14 H new ATOM 0 HE3 LYS A 32 5.105 -0.575 -10.003 1.00 73.14 H new ATOM 0 HZ1 LYS A 32 6.465 0.019 -11.900 1.00 60.41 H new ATOM 0 HZ2 LYS A 32 4.827 0.297 -12.252 1.00 60.41 H new ATOM 0 HZ3 LYS A 32 5.852 1.603 -11.893 1.00 60.41 H new ATOM 459 N LEU A 33 2.059 -0.493 -5.727 1.00 14.21 N ATOM 460 CA LEU A 33 1.916 -1.782 -5.061 1.00 22.12 C ATOM 461 C LEU A 33 1.595 -2.883 -6.067 1.00 5.25 C ATOM 462 O LEU A 33 0.818 -2.678 -6.998 1.00 24.33 O ATOM 463 CB LEU A 33 0.818 -1.711 -3.998 1.00 75.32 C ATOM 464 CG LEU A 33 0.174 -3.042 -3.608 1.00 11.41 C ATOM 465 CD1 LEU A 33 -0.230 -3.030 -2.142 1.00 12.30 C ATOM 466 CD2 LEU A 33 -1.029 -3.331 -4.492 1.00 63.04 C ATOM 0 H LEU A 33 1.362 -0.312 -6.449 1.00 14.21 H new ATOM 0 HA LEU A 33 2.864 -2.021 -4.579 1.00 22.12 H new ATOM 0 HB2 LEU A 33 1.238 -1.257 -3.101 1.00 75.32 H new ATOM 0 HB3 LEU A 33 0.035 -1.043 -4.357 1.00 75.32 H new ATOM 0 HG LEU A 33 0.907 -3.835 -3.755 1.00 11.41 H new ATOM 0 HD11 LEU A 33 -0.686 -3.985 -1.883 1.00 12.30 H new ATOM 0 HD12 LEU A 33 0.652 -2.869 -1.523 1.00 12.30 H new ATOM 0 HD13 LEU A 33 -0.946 -2.227 -1.968 1.00 12.30 H new ATOM 0 HD21 LEU A 33 -1.475 -4.282 -4.200 1.00 63.04 H new ATOM 0 HD22 LEU A 33 -1.765 -2.535 -4.377 1.00 63.04 H new ATOM 0 HD23 LEU A 33 -0.711 -3.384 -5.533 1.00 63.04 H new ATOM 477 N ASN A 34 2.198 -4.052 -5.870 1.00 32.02 N ATOM 478 CA ASN A 34 1.974 -5.185 -6.761 1.00 1.12 C ATOM 479 C ASN A 34 1.226 -6.303 -6.040 1.00 34.01 C ATOM 480 O ASN A 34 1.624 -6.735 -4.957 1.00 51.13 O ATOM 481 CB ASN A 34 3.309 -5.712 -7.295 1.00 62.52 C ATOM 482 CG ASN A 34 3.148 -6.994 -8.089 1.00 32.11 C ATOM 483 OD1 ASN A 34 3.048 -8.080 -7.521 1.00 42.12 O ATOM 484 ND2 ASN A 34 3.123 -6.870 -9.412 1.00 22.05 N ATOM 0 H ASN A 34 2.844 -4.239 -5.103 1.00 32.02 H new ATOM 0 HA ASN A 34 1.364 -4.843 -7.598 1.00 1.12 H new ATOM 0 HB2 ASN A 34 3.770 -4.952 -7.926 1.00 62.52 H new ATOM 0 HB3 ASN A 34 3.987 -5.888 -6.460 1.00 62.52 H new ATOM 0 HD21 ASN A 34 3.017 -7.697 -10.000 1.00 22.05 H new ATOM 0 HD22 ASN A 34 3.209 -5.948 -9.840 1.00 22.05 H new ATOM 490 N THR A 35 0.138 -6.767 -6.647 1.00 55.55 N ATOM 491 CA THR A 35 -0.667 -7.834 -6.066 1.00 34.23 C ATOM 492 C THR A 35 -1.073 -8.854 -7.121 1.00 41.44 C ATOM 493 O THR A 35 -0.727 -8.720 -8.294 1.00 41.24 O ATOM 494 CB THR A 35 -1.935 -7.276 -5.391 1.00 53.52 C ATOM 495 OG1 THR A 35 -2.640 -6.428 -6.303 1.00 63.45 O ATOM 496 CG2 THR A 35 -1.579 -6.496 -4.135 1.00 72.11 C ATOM 0 H THR A 35 -0.206 -6.420 -7.542 1.00 55.55 H new ATOM 0 HA THR A 35 -0.048 -8.323 -5.313 1.00 34.23 H new ATOM 0 HB THR A 35 -2.572 -8.115 -5.110 1.00 53.52 H new ATOM 0 HG1 THR A 35 -3.446 -6.078 -5.868 1.00 63.45 H new ATOM 0 HG21 THR A 35 -2.489 -6.111 -3.675 1.00 72.11 H new ATOM 0 HG22 THR A 35 -1.067 -7.153 -3.432 1.00 72.11 H new ATOM 0 HG23 THR A 35 -0.925 -5.664 -4.396 1.00 72.11 H new ATOM 504 N GLY A 36 -1.811 -9.875 -6.698 1.00 2.52 N ATOM 505 CA GLY A 36 -2.254 -10.905 -7.621 1.00 12.23 C ATOM 506 C GLY A 36 -1.118 -11.791 -8.089 1.00 52.53 C ATOM 507 O GLY A 36 -0.344 -12.302 -7.279 1.00 62.32 O ATOM 0 H GLY A 36 -2.111 -10.008 -5.732 1.00 2.52 H new ATOM 0 HA2 GLY A 36 -3.014 -11.519 -7.138 1.00 12.23 H new ATOM 0 HA3 GLY A 36 -2.725 -10.436 -8.485 1.00 12.23 H new ATOM 511 N ARG A 37 -1.015 -11.975 -9.401 1.00 65.34 N ATOM 512 CA ARG A 37 0.033 -12.808 -9.977 1.00 41.51 C ATOM 513 C ARG A 37 1.018 -11.965 -10.781 1.00 14.22 C ATOM 514 O ARG A 37 2.223 -12.222 -10.775 1.00 35.44 O ATOM 515 CB ARG A 37 -0.578 -13.889 -10.870 1.00 42.13 C ATOM 516 CG ARG A 37 -1.408 -14.912 -10.111 1.00 32.22 C ATOM 517 CD ARG A 37 -0.582 -15.620 -9.048 1.00 71.12 C ATOM 518 NE ARG A 37 -1.211 -16.861 -8.604 1.00 12.40 N ATOM 519 CZ ARG A 37 -1.268 -17.961 -9.345 1.00 55.24 C ATOM 520 NH1 ARG A 37 -0.737 -17.975 -10.559 1.00 51.31 N ATOM 521 NH2 ARG A 37 -1.858 -19.052 -8.871 1.00 11.34 N ATOM 0 H ARG A 37 -1.645 -11.558 -10.086 1.00 65.34 H new ATOM 0 HA ARG A 37 0.573 -13.285 -9.159 1.00 41.51 H new ATOM 0 HB2 ARG A 37 -1.205 -13.413 -11.624 1.00 42.13 H new ATOM 0 HB3 ARG A 37 0.222 -14.405 -11.400 1.00 42.13 H new ATOM 0 HG2 ARG A 37 -2.259 -14.417 -9.643 1.00 32.22 H new ATOM 0 HG3 ARG A 37 -1.811 -15.646 -10.809 1.00 32.22 H new ATOM 0 HD2 ARG A 37 0.410 -15.838 -9.445 1.00 71.12 H new ATOM 0 HD3 ARG A 37 -0.445 -14.957 -8.194 1.00 71.12 H new ATOM 0 HE ARG A 37 -1.629 -16.884 -7.674 1.00 12.40 H new ATOM 0 HH11 ARG A 37 -0.283 -17.139 -10.927 1.00 51.31 H new ATOM 0 HH12 ARG A 37 -0.782 -18.822 -11.126 1.00 51.31 H new ATOM 0 HH21 ARG A 37 -2.268 -19.045 -7.937 1.00 11.34 H new ATOM 0 HH22 ARG A 37 -1.901 -19.897 -9.441 1.00 11.34 H new ATOM 532 N THR A 38 0.499 -10.957 -11.474 1.00 24.24 N ATOM 533 CA THR A 38 1.331 -10.076 -12.283 1.00 42.15 C ATOM 534 C THR A 38 0.495 -8.990 -12.951 1.00 21.25 C ATOM 535 O THR A 38 0.980 -7.886 -13.196 1.00 73.32 O ATOM 536 CB THR A 38 2.090 -10.863 -13.370 1.00 1.12 C ATOM 537 OG1 THR A 38 3.103 -10.038 -13.953 1.00 34.02 O ATOM 538 CG2 THR A 38 1.138 -11.348 -14.451 1.00 63.55 C ATOM 0 H THR A 38 -0.495 -10.730 -11.491 1.00 24.24 H new ATOM 0 HA THR A 38 2.051 -9.613 -11.608 1.00 42.15 H new ATOM 0 HB THR A 38 2.554 -11.731 -12.902 1.00 1.12 H new ATOM 0 HG1 THR A 38 3.582 -10.545 -14.641 1.00 34.02 H new ATOM 0 HG21 THR A 38 1.697 -11.900 -15.207 1.00 63.55 H new ATOM 0 HG22 THR A 38 0.385 -12.000 -14.007 1.00 63.55 H new ATOM 0 HG23 THR A 38 0.648 -10.492 -14.915 1.00 63.55 H new ATOM 546 N GLU A 39 -0.762 -9.309 -13.240 1.00 4.43 N ATOM 547 CA GLU A 39 -1.664 -8.359 -13.877 1.00 52.14 C ATOM 548 C GLU A 39 -2.625 -7.751 -12.858 1.00 45.54 C ATOM 549 O GLU A 39 -3.777 -7.454 -13.176 1.00 52.21 O ATOM 550 CB GLU A 39 -2.455 -9.042 -14.995 1.00 52.32 C ATOM 551 CG GLU A 39 -2.946 -10.433 -14.631 1.00 22.04 C ATOM 552 CD GLU A 39 -3.765 -11.070 -15.737 1.00 64.11 C ATOM 553 OE1 GLU A 39 -3.346 -10.983 -16.910 1.00 24.12 O ATOM 554 OE2 GLU A 39 -4.824 -11.657 -15.428 1.00 53.54 O ATOM 0 H GLU A 39 -1.179 -10.219 -13.043 1.00 4.43 H new ATOM 0 HA GLU A 39 -1.061 -7.558 -14.305 1.00 52.14 H new ATOM 0 HB2 GLU A 39 -3.312 -8.420 -15.255 1.00 52.32 H new ATOM 0 HB3 GLU A 39 -1.828 -9.108 -15.884 1.00 52.32 H new ATOM 0 HG2 GLU A 39 -2.090 -11.069 -14.405 1.00 22.04 H new ATOM 0 HG3 GLU A 39 -3.549 -10.376 -13.724 1.00 22.04 H new ATOM 559 N ALA A 40 -2.143 -7.574 -11.633 1.00 30.52 N ATOM 560 CA ALA A 40 -2.958 -7.002 -10.568 1.00 35.01 C ATOM 561 C ALA A 40 -2.295 -5.764 -9.974 1.00 61.00 C ATOM 562 O ALA A 40 -2.876 -5.080 -9.132 1.00 62.13 O ATOM 563 CB ALA A 40 -3.213 -8.039 -9.485 1.00 11.41 C ATOM 0 H ALA A 40 -1.193 -7.818 -11.353 1.00 30.52 H new ATOM 0 HA ALA A 40 -3.913 -6.699 -10.997 1.00 35.01 H new ATOM 0 HB1 ALA A 40 -3.823 -7.599 -8.696 1.00 11.41 H new ATOM 0 HB2 ALA A 40 -3.737 -8.893 -9.915 1.00 11.41 H new ATOM 0 HB3 ALA A 40 -2.262 -8.370 -9.067 1.00 11.41 H new ATOM 569 N TRP A 41 -1.073 -5.484 -10.415 1.00 62.50 N ATOM 570 CA TRP A 41 -0.331 -4.328 -9.926 1.00 4.33 C ATOM 571 C TRP A 41 -1.092 -3.036 -10.200 1.00 4.24 C ATOM 572 O TRP A 41 -1.572 -2.810 -11.310 1.00 61.11 O ATOM 573 CB TRP A 41 1.051 -4.269 -10.579 1.00 65.44 C ATOM 574 CG TRP A 41 1.002 -3.950 -12.044 1.00 12.33 C ATOM 575 CD1 TRP A 41 0.531 -4.754 -13.042 1.00 33.20 C ATOM 576 CD2 TRP A 41 1.443 -2.741 -12.671 1.00 24.41 C ATOM 577 NE1 TRP A 41 0.653 -4.116 -14.253 1.00 64.13 N ATOM 578 CE2 TRP A 41 1.207 -2.880 -14.053 1.00 54.05 C ATOM 579 CE3 TRP A 41 2.010 -1.554 -12.201 1.00 1.42 C ATOM 580 CZ2 TRP A 41 1.523 -1.877 -14.967 1.00 23.33 C ATOM 581 CZ3 TRP A 41 2.323 -0.560 -13.108 1.00 63.50 C ATOM 582 CH2 TRP A 41 2.078 -0.726 -14.478 1.00 61.21 C ATOM 0 H TRP A 41 -0.576 -6.041 -11.110 1.00 62.50 H new ATOM 0 HA TRP A 41 -0.211 -4.435 -8.848 1.00 4.33 H new ATOM 0 HB2 TRP A 41 1.654 -3.517 -10.070 1.00 65.44 H new ATOM 0 HB3 TRP A 41 1.552 -5.227 -10.439 1.00 65.44 H new ATOM 0 HD1 TRP A 41 0.123 -5.744 -12.901 1.00 33.20 H new ATOM 0 HE1 TRP A 41 0.375 -4.501 -15.156 1.00 64.13 H new ATOM 0 HE3 TRP A 41 2.200 -1.416 -11.147 1.00 1.42 H new ATOM 0 HZ2 TRP A 41 1.337 -2.004 -16.023 1.00 23.33 H new ATOM 0 HZ3 TRP A 41 2.764 0.361 -12.755 1.00 63.50 H new ATOM 0 HH2 TRP A 41 2.332 0.071 -15.161 1.00 61.21 H new ATOM 592 N LYS A 42 -1.199 -2.190 -9.181 1.00 2.22 N ATOM 593 CA LYS A 42 -1.901 -0.918 -9.312 1.00 11.50 C ATOM 594 C LYS A 42 -1.025 0.237 -8.838 1.00 61.22 C ATOM 595 O LYS A 42 -0.097 0.045 -8.052 1.00 51.25 O ATOM 596 CB LYS A 42 -3.204 -0.946 -8.510 1.00 45.02 C ATOM 597 CG LYS A 42 -3.806 -2.335 -8.377 1.00 35.10 C ATOM 598 CD LYS A 42 -3.299 -3.045 -7.133 1.00 1.01 C ATOM 599 CE LYS A 42 -3.776 -2.355 -5.864 1.00 3.54 C ATOM 600 NZ LYS A 42 -5.241 -2.093 -5.893 1.00 34.12 N ATOM 0 H LYS A 42 -0.808 -2.362 -8.255 1.00 2.22 H new ATOM 0 HA LYS A 42 -2.134 -0.766 -10.366 1.00 11.50 H new ATOM 0 HB2 LYS A 42 -3.017 -0.543 -7.515 1.00 45.02 H new ATOM 0 HB3 LYS A 42 -3.930 -0.289 -8.989 1.00 45.02 H new ATOM 0 HG2 LYS A 42 -4.893 -2.259 -8.337 1.00 35.10 H new ATOM 0 HG3 LYS A 42 -3.560 -2.925 -9.260 1.00 35.10 H new ATOM 0 HD2 LYS A 42 -3.643 -4.079 -7.137 1.00 1.01 H new ATOM 0 HD3 LYS A 42 -2.209 -3.071 -7.146 1.00 1.01 H new ATOM 0 HE2 LYS A 42 -3.535 -2.975 -5.001 1.00 3.54 H new ATOM 0 HE3 LYS A 42 -3.241 -1.414 -5.739 1.00 3.54 H new ATOM 0 HZ1 LYS A 42 -5.620 -2.130 -4.925 1.00 34.12 H new ATOM 0 HZ2 LYS A 42 -5.417 -1.151 -6.297 1.00 34.12 H new ATOM 0 HZ3 LYS A 42 -5.711 -2.814 -6.477 1.00 34.12 H new ATOM 610 N VAL A 43 -1.327 1.438 -9.320 1.00 73.21 N ATOM 611 CA VAL A 43 -0.570 2.627 -8.943 1.00 51.35 C ATOM 612 C VAL A 43 -1.333 3.467 -7.926 1.00 62.21 C ATOM 613 O VAL A 43 -2.466 3.884 -8.174 1.00 30.44 O ATOM 614 CB VAL A 43 -0.244 3.497 -10.172 1.00 40.31 C ATOM 615 CG1 VAL A 43 0.641 4.669 -9.775 1.00 11.21 C ATOM 616 CG2 VAL A 43 0.417 2.661 -11.256 1.00 11.42 C ATOM 0 H VAL A 43 -2.091 1.614 -9.973 1.00 73.21 H new ATOM 0 HA VAL A 43 0.361 2.280 -8.495 1.00 51.35 H new ATOM 0 HB VAL A 43 -1.176 3.896 -10.572 1.00 40.31 H new ATOM 0 HG11 VAL A 43 0.861 5.273 -10.655 1.00 11.21 H new ATOM 0 HG12 VAL A 43 0.125 5.281 -9.035 1.00 11.21 H new ATOM 0 HG13 VAL A 43 1.572 4.294 -9.350 1.00 11.21 H new ATOM 0 HG21 VAL A 43 0.640 3.292 -12.117 1.00 11.42 H new ATOM 0 HG22 VAL A 43 1.342 2.232 -10.871 1.00 11.42 H new ATOM 0 HG23 VAL A 43 -0.257 1.859 -11.559 1.00 11.42 H new ATOM 626 N LEU A 44 -0.707 3.711 -6.781 1.00 33.34 N ATOM 627 CA LEU A 44 -1.329 4.504 -5.725 1.00 1.53 C ATOM 628 C LEU A 44 -1.054 5.991 -5.926 1.00 70.33 C ATOM 629 O LEU A 44 0.066 6.388 -6.244 1.00 33.05 O ATOM 630 CB LEU A 44 -0.811 4.059 -4.356 1.00 12.04 C ATOM 631 CG LEU A 44 -1.574 2.915 -3.689 1.00 0.14 C ATOM 632 CD1 LEU A 44 -2.974 3.361 -3.300 1.00 72.14 C ATOM 633 CD2 LEU A 44 -1.634 1.705 -4.611 1.00 73.22 C ATOM 0 H LEU A 44 0.229 3.372 -6.559 1.00 33.34 H new ATOM 0 HA LEU A 44 -2.406 4.344 -5.770 1.00 1.53 H new ATOM 0 HB2 LEU A 44 0.231 3.759 -4.464 1.00 12.04 H new ATOM 0 HB3 LEU A 44 -0.828 4.919 -3.687 1.00 12.04 H new ATOM 0 HG LEU A 44 -1.042 2.630 -2.782 1.00 0.14 H new ATOM 0 HD11 LEU A 44 -3.501 2.533 -2.827 1.00 72.14 H new ATOM 0 HD12 LEU A 44 -2.909 4.196 -2.602 1.00 72.14 H new ATOM 0 HD13 LEU A 44 -3.517 3.675 -4.192 1.00 72.14 H new ATOM 0 HD21 LEU A 44 -2.181 0.900 -4.120 1.00 73.22 H new ATOM 0 HD22 LEU A 44 -2.142 1.977 -5.536 1.00 73.22 H new ATOM 0 HD23 LEU A 44 -0.622 1.370 -4.838 1.00 73.22 H new ATOM 644 N SER A 45 -2.085 6.808 -5.737 1.00 72.32 N ATOM 645 CA SER A 45 -1.956 8.252 -5.900 1.00 12.12 C ATOM 646 C SER A 45 -2.463 8.985 -4.662 1.00 15.03 C ATOM 647 O SER A 45 -3.142 8.418 -3.806 1.00 71.22 O ATOM 648 CB SER A 45 -2.729 8.719 -7.136 1.00 2.35 C ATOM 649 OG SER A 45 -3.255 7.616 -7.854 1.00 52.12 O ATOM 0 H SER A 45 -3.019 6.495 -5.471 1.00 72.32 H new ATOM 0 HA SER A 45 -0.899 8.485 -6.032 1.00 12.12 H new ATOM 0 HB2 SER A 45 -3.541 9.380 -6.833 1.00 2.35 H new ATOM 0 HB3 SER A 45 -2.071 9.298 -7.783 1.00 2.35 H new ATOM 0 HG SER A 45 -3.746 7.940 -8.638 1.00 52.12 H new ATOM 654 N PRO A 46 -2.125 10.280 -4.563 1.00 12.12 N ATOM 655 CA PRO A 46 -2.535 11.122 -3.434 1.00 2.32 C ATOM 656 C PRO A 46 -4.032 11.411 -3.441 1.00 11.43 C ATOM 657 O PRO A 46 -4.540 12.111 -2.566 1.00 74.43 O ATOM 658 CB PRO A 46 -1.738 12.412 -3.645 1.00 64.45 C ATOM 659 CG PRO A 46 -1.469 12.454 -5.110 1.00 51.11 C ATOM 660 CD PRO A 46 -1.318 11.023 -5.545 1.00 14.44 C ATOM 0 HA PRO A 46 -2.344 10.640 -2.475 1.00 2.32 H new ATOM 0 HB2 PRO A 46 -2.304 13.285 -3.321 1.00 64.45 H new ATOM 0 HB3 PRO A 46 -0.811 12.403 -3.072 1.00 64.45 H new ATOM 0 HG2 PRO A 46 -2.286 12.940 -5.643 1.00 51.11 H new ATOM 0 HG3 PRO A 46 -0.565 13.024 -5.325 1.00 51.11 H new ATOM 0 HD2 PRO A 46 -1.682 10.872 -6.561 1.00 14.44 H new ATOM 0 HD3 PRO A 46 -0.275 10.706 -5.530 1.00 14.44 H new ATOM 665 N GLN A 47 -4.730 10.867 -4.432 1.00 25.53 N ATOM 666 CA GLN A 47 -6.170 11.069 -4.550 1.00 53.52 C ATOM 667 C GLN A 47 -6.900 9.733 -4.652 1.00 73.50 C ATOM 668 O GLN A 47 -7.149 9.232 -5.748 1.00 33.21 O ATOM 669 CB GLN A 47 -6.486 11.930 -5.774 1.00 54.03 C ATOM 670 CG GLN A 47 -7.886 12.523 -5.756 1.00 30.44 C ATOM 671 CD GLN A 47 -8.105 13.466 -4.589 1.00 71.52 C ATOM 672 OE1 GLN A 47 -9.063 13.320 -3.830 1.00 14.05 O ATOM 673 NE2 GLN A 47 -7.216 14.442 -4.441 1.00 4.54 N ATOM 0 H GLN A 47 -4.323 10.284 -5.164 1.00 25.53 H new ATOM 0 HA GLN A 47 -6.515 11.584 -3.653 1.00 53.52 H new ATOM 0 HB2 GLN A 47 -5.758 12.739 -5.836 1.00 54.03 H new ATOM 0 HB3 GLN A 47 -6.368 11.326 -6.673 1.00 54.03 H new ATOM 0 HG2 GLN A 47 -8.062 13.059 -6.689 1.00 30.44 H new ATOM 0 HG3 GLN A 47 -8.618 11.716 -5.709 1.00 30.44 H new ATOM 0 HE21 GLN A 47 -6.437 14.526 -5.094 1.00 4.54 H new ATOM 0 HE22 GLN A 47 -7.313 15.108 -3.674 1.00 4.54 H new ATOM 680 N GLY A 48 -7.241 9.161 -3.501 1.00 0.24 N ATOM 681 CA GLY A 48 -7.938 7.889 -3.483 1.00 2.24 C ATOM 682 C GLY A 48 -9.431 8.043 -3.694 1.00 32.44 C ATOM 683 O GLY A 48 -10.182 7.074 -3.603 1.00 4.25 O ATOM 0 H GLY A 48 -7.047 9.556 -2.581 1.00 0.24 H new ATOM 0 HA2 GLY A 48 -7.529 7.243 -4.260 1.00 2.24 H new ATOM 0 HA3 GLY A 48 -7.758 7.393 -2.529 1.00 2.24 H new ATOM 687 N GLY A 49 -9.865 9.268 -3.975 1.00 52.13 N ATOM 688 CA GLY A 49 -11.275 9.525 -4.195 1.00 44.23 C ATOM 689 C GLY A 49 -11.900 8.540 -5.163 1.00 34.40 C ATOM 690 O GLY A 49 -11.195 7.818 -5.865 1.00 70.15 O ATOM 0 H GLY A 49 -9.263 10.088 -4.054 1.00 52.13 H new ATOM 0 HA2 GLY A 49 -11.803 9.478 -3.242 1.00 44.23 H new ATOM 0 HA3 GLY A 49 -11.401 10.537 -4.579 1.00 44.23 H new ATOM 694 N GLY A 50 -13.229 8.510 -5.201 1.00 32.42 N ATOM 695 CA GLY A 50 -13.927 7.604 -6.092 1.00 53.04 C ATOM 696 C GLY A 50 -14.366 6.330 -5.397 1.00 35.30 C ATOM 697 O GLY A 50 -14.590 6.305 -4.187 1.00 12.44 O ATOM 0 H GLY A 50 -13.835 9.099 -4.629 1.00 32.42 H new ATOM 0 HA2 GLY A 50 -14.800 8.108 -6.506 1.00 53.04 H new ATOM 0 HA3 GLY A 50 -13.278 7.352 -6.930 1.00 53.04 H new ATOM 701 N PRO A 51 -14.498 5.244 -6.172 1.00 65.20 N ATOM 702 CA PRO A 51 -14.919 3.942 -5.643 1.00 34.21 C ATOM 703 C PRO A 51 -13.851 3.304 -4.761 1.00 53.40 C ATOM 704 O PRO A 51 -12.826 2.833 -5.253 1.00 31.12 O ATOM 705 CB PRO A 51 -15.141 3.103 -6.904 1.00 21.21 C ATOM 706 CG PRO A 51 -14.270 3.732 -7.936 1.00 50.03 C ATOM 707 CD PRO A 51 -14.249 5.202 -7.622 1.00 44.04 C ATOM 0 HA PRO A 51 -15.801 4.025 -5.008 1.00 34.21 H new ATOM 0 HB2 PRO A 51 -14.869 2.060 -6.739 1.00 21.21 H new ATOM 0 HB3 PRO A 51 -16.188 3.115 -7.208 1.00 21.21 H new ATOM 0 HG2 PRO A 51 -13.264 3.312 -7.906 1.00 50.03 H new ATOM 0 HG3 PRO A 51 -14.660 3.553 -8.938 1.00 50.03 H new ATOM 0 HD2 PRO A 51 -13.291 5.654 -7.879 1.00 44.04 H new ATOM 0 HD3 PRO A 51 -15.015 5.743 -8.177 1.00 44.04 H new ATOM 712 N TRP A 52 -14.099 3.293 -3.457 1.00 5.43 N ATOM 713 CA TRP A 52 -13.158 2.711 -2.505 1.00 24.04 C ATOM 714 C TRP A 52 -13.336 1.199 -2.419 1.00 13.40 C ATOM 715 O TRP A 52 -12.369 0.462 -2.229 1.00 5.31 O ATOM 716 CB TRP A 52 -13.346 3.338 -1.122 1.00 62.43 C ATOM 717 CG TRP A 52 -13.643 4.805 -1.173 1.00 22.44 C ATOM 718 CD1 TRP A 52 -12.961 5.757 -1.875 1.00 44.31 C ATOM 719 CD2 TRP A 52 -14.701 5.490 -0.489 1.00 11.53 C ATOM 720 NE1 TRP A 52 -13.530 6.991 -1.670 1.00 62.42 N ATOM 721 CE2 TRP A 52 -14.598 6.854 -0.825 1.00 4.30 C ATOM 722 CE3 TRP A 52 -15.723 5.082 0.372 1.00 1.53 C ATOM 723 CZ2 TRP A 52 -15.480 7.810 -0.327 1.00 63.01 C ATOM 724 CZ3 TRP A 52 -16.597 6.032 0.865 1.00 12.42 C ATOM 725 CH2 TRP A 52 -16.472 7.383 0.514 1.00 71.12 C ATOM 0 H TRP A 52 -14.943 3.680 -3.034 1.00 5.43 H new ATOM 0 HA TRP A 52 -12.148 2.920 -2.857 1.00 24.04 H new ATOM 0 HB2 TRP A 52 -14.159 2.827 -0.607 1.00 62.43 H new ATOM 0 HB3 TRP A 52 -12.444 3.177 -0.532 1.00 62.43 H new ATOM 0 HD1 TRP A 52 -12.101 5.568 -2.500 1.00 44.31 H new ATOM 0 HE1 TRP A 52 -13.208 7.867 -2.081 1.00 62.42 H new ATOM 0 HE3 TRP A 52 -15.828 4.043 0.647 1.00 1.53 H new ATOM 0 HZ2 TRP A 52 -15.385 8.852 -0.595 1.00 63.01 H new ATOM 0 HZ3 TRP A 52 -17.390 5.728 1.532 1.00 12.42 H new ATOM 0 HH2 TRP A 52 -17.172 8.101 0.915 1.00 71.12 H new ATOM 735 N ASP A 53 -14.576 0.743 -2.561 1.00 12.04 N ATOM 736 CA ASP A 53 -14.879 -0.681 -2.501 1.00 4.35 C ATOM 737 C ASP A 53 -14.145 -1.441 -3.601 1.00 11.05 C ATOM 738 O ASP A 53 -13.877 -2.635 -3.473 1.00 2.10 O ATOM 739 CB ASP A 53 -16.386 -0.909 -2.626 1.00 42.32 C ATOM 740 CG ASP A 53 -16.765 -2.370 -2.478 1.00 23.22 C ATOM 741 OD1 ASP A 53 -16.331 -2.998 -1.490 1.00 52.52 O ATOM 742 OD2 ASP A 53 -17.497 -2.886 -3.350 1.00 72.01 O ATOM 0 H ASP A 53 -15.388 1.340 -2.719 1.00 12.04 H new ATOM 0 HA ASP A 53 -14.540 -1.058 -1.536 1.00 4.35 H new ATOM 0 HB2 ASP A 53 -16.903 -0.324 -1.866 1.00 42.32 H new ATOM 0 HB3 ASP A 53 -16.726 -0.545 -3.595 1.00 42.32 H new ATOM 746 N SER A 54 -13.821 -0.739 -4.683 1.00 30.24 N ATOM 747 CA SER A 54 -13.122 -1.348 -5.808 1.00 24.21 C ATOM 748 C SER A 54 -11.630 -1.477 -5.515 1.00 33.42 C ATOM 749 O SER A 54 -11.022 -2.515 -5.775 1.00 1.35 O ATOM 750 CB SER A 54 -13.334 -0.520 -7.076 1.00 64.22 C ATOM 751 OG SER A 54 -14.118 -1.227 -8.021 1.00 63.23 O ATOM 0 H SER A 54 -14.032 0.252 -4.804 1.00 30.24 H new ATOM 0 HA SER A 54 -13.532 -2.346 -5.962 1.00 24.21 H new ATOM 0 HB2 SER A 54 -13.824 0.420 -6.823 1.00 64.22 H new ATOM 0 HB3 SER A 54 -12.369 -0.268 -7.515 1.00 64.22 H new ATOM 0 HG SER A 54 -14.241 -0.676 -8.822 1.00 63.23 H new ATOM 756 N VAL A 55 -11.046 -0.412 -4.972 1.00 71.11 N ATOM 757 CA VAL A 55 -9.626 -0.405 -4.641 1.00 72.02 C ATOM 758 C VAL A 55 -9.401 0.017 -3.194 1.00 72.33 C ATOM 759 O VAL A 55 -9.531 -0.789 -2.274 1.00 41.44 O ATOM 760 CB VAL A 55 -8.839 0.541 -5.569 1.00 64.50 C ATOM 761 CG1 VAL A 55 -8.378 -0.197 -6.816 1.00 41.35 C ATOM 762 CG2 VAL A 55 -9.685 1.750 -5.937 1.00 75.53 C ATOM 0 H VAL A 55 -11.535 0.456 -4.752 1.00 71.11 H new ATOM 0 HA VAL A 55 -9.263 -1.423 -4.779 1.00 72.02 H new ATOM 0 HB VAL A 55 -7.955 0.893 -5.037 1.00 64.50 H new ATOM 0 HG11 VAL A 55 -7.824 0.487 -7.459 1.00 41.35 H new ATOM 0 HG12 VAL A 55 -7.734 -1.028 -6.530 1.00 41.35 H new ATOM 0 HG13 VAL A 55 -9.245 -0.579 -7.354 1.00 41.35 H new ATOM 0 HG21 VAL A 55 -9.114 2.408 -6.593 1.00 75.53 H new ATOM 0 HG22 VAL A 55 -10.588 1.420 -6.451 1.00 75.53 H new ATOM 0 HG23 VAL A 55 -9.960 2.291 -5.031 1.00 75.53 H new ATOM 772 N ALA A 56 -9.061 1.288 -3.000 1.00 50.23 N ATOM 773 CA ALA A 56 -8.819 1.818 -1.665 1.00 21.42 C ATOM 774 C ALA A 56 -8.764 3.342 -1.680 1.00 65.43 C ATOM 775 O ALA A 56 -8.820 3.964 -2.742 1.00 52.44 O ATOM 776 CB ALA A 56 -7.531 1.248 -1.095 1.00 10.30 C ATOM 0 H ALA A 56 -8.947 1.969 -3.751 1.00 50.23 H new ATOM 0 HA ALA A 56 -9.650 1.517 -1.027 1.00 21.42 H new ATOM 0 HB1 ALA A 56 -7.364 1.653 -0.097 1.00 10.30 H new ATOM 0 HB2 ALA A 56 -7.608 0.162 -1.037 1.00 10.30 H new ATOM 0 HB3 ALA A 56 -6.696 1.519 -1.741 1.00 10.30 H new ATOM 782 N ARG A 57 -8.657 3.939 -0.497 1.00 50.43 N ATOM 783 CA ARG A 57 -8.595 5.390 -0.377 1.00 22.12 C ATOM 784 C ARG A 57 -7.234 5.835 0.147 1.00 55.22 C ATOM 785 O ARG A 57 -6.515 5.059 0.776 1.00 22.10 O ATOM 786 CB ARG A 57 -9.701 5.892 0.554 1.00 1.02 C ATOM 787 CG ARG A 57 -10.972 5.061 0.495 1.00 72.13 C ATOM 788 CD ARG A 57 -11.018 4.031 1.612 1.00 14.54 C ATOM 789 NE ARG A 57 -12.385 3.754 2.047 1.00 54.45 N ATOM 790 CZ ARG A 57 -12.689 3.231 3.229 1.00 14.54 C ATOM 791 NH1 ARG A 57 -11.728 2.930 4.091 1.00 12.55 N ATOM 792 NH2 ARG A 57 -13.957 3.009 3.552 1.00 73.12 N ATOM 0 H ARG A 57 -8.612 3.440 0.391 1.00 50.43 H new ATOM 0 HA ARG A 57 -8.740 5.819 -1.369 1.00 22.12 H new ATOM 0 HB2 ARG A 57 -9.328 5.897 1.578 1.00 1.02 H new ATOM 0 HB3 ARG A 57 -9.940 6.924 0.297 1.00 1.02 H new ATOM 0 HG2 ARG A 57 -11.840 5.716 0.567 1.00 72.13 H new ATOM 0 HG3 ARG A 57 -11.033 4.556 -0.469 1.00 72.13 H new ATOM 0 HD2 ARG A 57 -10.552 3.106 1.272 1.00 14.54 H new ATOM 0 HD3 ARG A 57 -10.434 4.389 2.460 1.00 14.54 H new ATOM 0 HE ARG A 57 -13.148 3.975 1.407 1.00 54.45 H new ATOM 0 HH11 ARG A 57 -10.752 3.100 3.847 1.00 12.55 H new ATOM 0 HH12 ARG A 57 -11.964 2.528 4.998 1.00 12.55 H new ATOM 0 HH21 ARG A 57 -14.699 3.240 2.892 1.00 73.12 H new ATOM 0 HH22 ARG A 57 -14.189 2.607 4.460 1.00 73.12 H new ATOM 803 N VAL A 58 -6.885 7.090 -0.118 1.00 14.13 N ATOM 804 CA VAL A 58 -5.610 7.639 0.327 1.00 12.14 C ATOM 805 C VAL A 58 -5.818 8.780 1.316 1.00 24.23 C ATOM 806 O VAL A 58 -6.547 9.734 1.038 1.00 73.13 O ATOM 807 CB VAL A 58 -4.774 8.152 -0.862 1.00 65.21 C ATOM 808 CG1 VAL A 58 -3.589 8.967 -0.369 1.00 0.31 C ATOM 809 CG2 VAL A 58 -4.309 6.988 -1.725 1.00 73.14 C ATOM 0 H VAL A 58 -7.468 7.746 -0.639 1.00 14.13 H new ATOM 0 HA VAL A 58 -5.071 6.829 0.819 1.00 12.14 H new ATOM 0 HB VAL A 58 -5.401 8.801 -1.473 1.00 65.21 H new ATOM 0 HG11 VAL A 58 -3.010 9.321 -1.222 1.00 0.31 H new ATOM 0 HG12 VAL A 58 -3.948 9.821 0.205 1.00 0.31 H new ATOM 0 HG13 VAL A 58 -2.957 8.344 0.264 1.00 0.31 H new ATOM 0 HG21 VAL A 58 -3.720 7.367 -2.560 1.00 73.14 H new ATOM 0 HG22 VAL A 58 -3.697 6.313 -1.126 1.00 73.14 H new ATOM 0 HG23 VAL A 58 -5.176 6.449 -2.107 1.00 73.14 H new ATOM 819 N LEU A 59 -5.173 8.677 2.473 1.00 53.13 N ATOM 820 CA LEU A 59 -5.286 9.702 3.506 1.00 51.50 C ATOM 821 C LEU A 59 -4.603 10.993 3.070 1.00 75.21 C ATOM 822 O LEU A 59 -3.709 10.996 2.222 1.00 0.20 O ATOM 823 CB LEU A 59 -4.671 9.203 4.815 1.00 21.14 C ATOM 824 CG LEU A 59 -5.349 7.993 5.457 1.00 31.41 C ATOM 825 CD1 LEU A 59 -4.785 7.740 6.847 1.00 75.23 C ATOM 826 CD2 LEU A 59 -6.856 8.198 5.522 1.00 52.10 C ATOM 0 H LEU A 59 -4.567 7.895 2.720 1.00 53.13 H new ATOM 0 HA LEU A 59 -6.344 9.909 3.664 1.00 51.50 H new ATOM 0 HB2 LEU A 59 -3.626 8.953 4.630 1.00 21.14 H new ATOM 0 HB3 LEU A 59 -4.680 10.023 5.533 1.00 21.14 H new ATOM 0 HG LEU A 59 -5.147 7.118 4.839 1.00 31.41 H new ATOM 0 HD11 LEU A 59 -5.280 6.875 7.288 1.00 75.23 H new ATOM 0 HD12 LEU A 59 -3.714 7.549 6.776 1.00 75.23 H new ATOM 0 HD13 LEU A 59 -4.956 8.615 7.474 1.00 75.23 H new ATOM 0 HD21 LEU A 59 -7.322 7.327 5.982 1.00 52.10 H new ATOM 0 HD22 LEU A 59 -7.077 9.084 6.117 1.00 52.10 H new ATOM 0 HD23 LEU A 59 -7.249 8.330 4.514 1.00 52.10 H new ATOM 837 N PRO A 60 -5.031 12.119 3.661 1.00 31.33 N ATOM 838 CA PRO A 60 -4.471 13.437 3.351 1.00 72.32 C ATOM 839 C PRO A 60 -3.043 13.597 3.861 1.00 44.22 C ATOM 840 O PRO A 60 -2.289 14.434 3.368 1.00 22.25 O ATOM 841 CB PRO A 60 -5.409 14.401 4.082 1.00 21.41 C ATOM 842 CG PRO A 60 -5.986 13.597 5.197 1.00 33.20 C ATOM 843 CD PRO A 60 -6.091 12.189 4.679 1.00 20.31 C ATOM 0 HA PRO A 60 -4.410 13.610 2.277 1.00 72.32 H new ATOM 0 HB2 PRO A 60 -4.869 15.270 4.459 1.00 21.41 H new ATOM 0 HB3 PRO A 60 -6.189 14.774 3.418 1.00 21.41 H new ATOM 0 HG2 PRO A 60 -5.349 13.642 6.081 1.00 33.20 H new ATOM 0 HG3 PRO A 60 -6.964 13.980 5.489 1.00 33.20 H new ATOM 0 HD2 PRO A 60 -5.936 11.457 5.471 1.00 20.31 H new ATOM 0 HD3 PRO A 60 -7.073 11.991 4.250 1.00 20.31 H new ATOM 848 N ASN A 61 -2.679 12.786 4.848 1.00 74.13 N ATOM 849 CA ASN A 61 -1.340 12.837 5.424 1.00 3.11 C ATOM 850 C ASN A 61 -0.354 12.033 4.581 1.00 5.43 C ATOM 851 O ASN A 61 0.832 11.954 4.900 1.00 3.01 O ATOM 852 CB ASN A 61 -1.357 12.302 6.858 1.00 71.34 C ATOM 853 CG ASN A 61 -2.036 10.949 6.962 1.00 74.14 C ATOM 854 OD1 ASN A 61 -2.262 10.277 5.955 1.00 20.02 O ATOM 855 ND2 ASN A 61 -2.362 10.542 8.183 1.00 31.52 N ATOM 0 H ASN A 61 -3.292 12.086 5.266 1.00 74.13 H new ATOM 0 HA ASN A 61 -1.017 13.878 5.436 1.00 3.11 H new ATOM 0 HB2 ASN A 61 -0.334 12.221 7.225 1.00 71.34 H new ATOM 0 HB3 ASN A 61 -1.872 13.014 7.503 1.00 71.34 H new ATOM 0 HD21 ASN A 61 -2.819 9.640 8.315 1.00 31.52 H new ATOM 0 HD22 ASN A 61 -2.156 11.132 8.989 1.00 31.52 H new ATOM 861 N GLY A 62 -0.854 11.436 3.503 1.00 15.13 N ATOM 862 CA GLY A 62 -0.004 10.648 2.631 1.00 44.11 C ATOM 863 C GLY A 62 0.001 9.177 3.002 1.00 60.44 C ATOM 864 O GLY A 62 0.991 8.479 2.786 1.00 14.01 O ATOM 0 H GLY A 62 -1.832 11.484 3.219 1.00 15.13 H new ATOM 0 HA2 GLY A 62 -0.343 10.759 1.601 1.00 44.11 H new ATOM 0 HA3 GLY A 62 1.014 11.034 2.675 1.00 44.11 H new ATOM 868 N SER A 63 -1.108 8.707 3.563 1.00 24.42 N ATOM 869 CA SER A 63 -1.227 7.311 3.971 1.00 51.34 C ATOM 870 C SER A 63 -2.230 6.572 3.092 1.00 23.32 C ATOM 871 O SER A 63 -2.855 7.163 2.210 1.00 54.11 O ATOM 872 CB SER A 63 -1.651 7.221 5.437 1.00 42.41 C ATOM 873 OG SER A 63 -0.527 7.282 6.299 1.00 51.44 O ATOM 0 H SER A 63 -1.937 9.272 3.746 1.00 24.42 H new ATOM 0 HA SER A 63 -0.252 6.839 3.853 1.00 51.34 H new ATOM 0 HB2 SER A 63 -2.337 8.035 5.671 1.00 42.41 H new ATOM 0 HB3 SER A 63 -2.192 6.290 5.606 1.00 42.41 H new ATOM 0 HG SER A 63 -0.826 7.224 7.231 1.00 51.44 H new ATOM 878 N LEU A 64 -2.382 5.275 3.339 1.00 54.31 N ATOM 879 CA LEU A 64 -3.310 4.453 2.571 1.00 74.02 C ATOM 880 C LEU A 64 -4.236 3.669 3.496 1.00 72.41 C ATOM 881 O LEU A 64 -3.783 3.009 4.432 1.00 60.54 O ATOM 882 CB LEU A 64 -2.541 3.490 1.665 1.00 3.42 C ATOM 883 CG LEU A 64 -3.332 2.299 1.126 1.00 3.34 C ATOM 884 CD1 LEU A 64 -4.605 2.770 0.442 1.00 52.24 C ATOM 885 CD2 LEU A 64 -2.479 1.482 0.166 1.00 21.03 C ATOM 0 H LEU A 64 -1.874 4.770 4.065 1.00 54.31 H new ATOM 0 HA LEU A 64 -3.918 5.115 1.954 1.00 74.02 H new ATOM 0 HB2 LEU A 64 -2.150 4.054 0.818 1.00 3.42 H new ATOM 0 HB3 LEU A 64 -1.682 3.110 2.218 1.00 3.42 H new ATOM 0 HG LEU A 64 -3.609 1.662 1.966 1.00 3.34 H new ATOM 0 HD11 LEU A 64 -5.155 1.908 0.064 1.00 52.24 H new ATOM 0 HD12 LEU A 64 -5.224 3.311 1.158 1.00 52.24 H new ATOM 0 HD13 LEU A 64 -4.350 3.429 -0.388 1.00 52.24 H new ATOM 0 HD21 LEU A 64 -3.059 0.638 -0.208 1.00 21.03 H new ATOM 0 HD22 LEU A 64 -2.170 2.109 -0.670 1.00 21.03 H new ATOM 0 HD23 LEU A 64 -1.596 1.113 0.688 1.00 21.03 H new ATOM 896 N PHE A 65 -5.534 3.745 3.227 1.00 62.14 N ATOM 897 CA PHE A 65 -6.524 3.041 4.033 1.00 22.45 C ATOM 898 C PHE A 65 -7.403 2.148 3.161 1.00 1.41 C ATOM 899 O PHE A 65 -7.913 2.580 2.127 1.00 60.22 O ATOM 900 CB PHE A 65 -7.396 4.042 4.797 1.00 41.24 C ATOM 901 CG PHE A 65 -8.128 3.434 5.959 1.00 14.22 C ATOM 902 CD1 PHE A 65 -9.097 2.465 5.756 1.00 42.14 C ATOM 903 CD2 PHE A 65 -7.847 3.833 7.256 1.00 21.01 C ATOM 904 CE1 PHE A 65 -9.772 1.904 6.822 1.00 64.02 C ATOM 905 CE2 PHE A 65 -8.519 3.275 8.327 1.00 5.02 C ATOM 906 CZ PHE A 65 -9.484 2.310 8.110 1.00 51.05 C ATOM 0 H PHE A 65 -5.926 4.287 2.457 1.00 62.14 H new ATOM 0 HA PHE A 65 -5.992 2.412 4.747 1.00 22.45 H new ATOM 0 HB2 PHE A 65 -6.768 4.856 5.159 1.00 41.24 H new ATOM 0 HB3 PHE A 65 -8.120 4.479 4.110 1.00 41.24 H new ATOM 0 HD1 PHE A 65 -9.328 2.144 4.751 1.00 42.14 H new ATOM 0 HD2 PHE A 65 -7.095 4.588 7.432 1.00 21.01 H new ATOM 0 HE1 PHE A 65 -10.524 1.149 6.649 1.00 64.02 H new ATOM 0 HE2 PHE A 65 -8.290 3.593 9.333 1.00 5.02 H new ATOM 0 HZ PHE A 65 -10.012 1.874 8.946 1.00 51.05 H new ATOM 915 N LEU A 66 -7.574 0.902 3.585 1.00 42.52 N ATOM 916 CA LEU A 66 -8.389 -0.055 2.843 1.00 1.03 C ATOM 917 C LEU A 66 -9.617 -0.463 3.650 1.00 23.11 C ATOM 918 O LEU A 66 -9.528 -0.825 4.823 1.00 1.04 O ATOM 919 CB LEU A 66 -7.562 -1.293 2.489 1.00 30.52 C ATOM 920 CG LEU A 66 -6.487 -1.098 1.419 1.00 31.15 C ATOM 921 CD1 LEU A 66 -5.339 -0.265 1.964 1.00 40.24 C ATOM 922 CD2 LEU A 66 -5.984 -2.444 0.920 1.00 61.34 C ATOM 0 H LEU A 66 -7.159 0.529 4.439 1.00 42.52 H new ATOM 0 HA LEU A 66 -8.724 0.425 1.923 1.00 1.03 H new ATOM 0 HB2 LEU A 66 -7.081 -1.656 3.397 1.00 30.52 H new ATOM 0 HB3 LEU A 66 -8.242 -2.076 2.154 1.00 30.52 H new ATOM 0 HG LEU A 66 -6.928 -0.563 0.578 1.00 31.15 H new ATOM 0 HD11 LEU A 66 -4.583 -0.136 1.189 1.00 40.24 H new ATOM 0 HD12 LEU A 66 -5.712 0.711 2.273 1.00 40.24 H new ATOM 0 HD13 LEU A 66 -4.897 -0.772 2.822 1.00 40.24 H new ATOM 0 HD21 LEU A 66 -5.220 -2.287 0.159 1.00 61.34 H new ATOM 0 HD22 LEU A 66 -5.558 -3.005 1.752 1.00 61.34 H new ATOM 0 HD23 LEU A 66 -6.813 -3.006 0.491 1.00 61.34 H new ATOM 933 N PRO A 67 -10.794 -0.406 3.008 1.00 43.43 N ATOM 934 CA PRO A 67 -12.063 -0.769 3.644 1.00 3.55 C ATOM 935 C PRO A 67 -12.169 -2.267 3.911 1.00 63.54 C ATOM 936 O PRO A 67 -12.704 -2.686 4.936 1.00 24.32 O ATOM 937 CB PRO A 67 -13.112 -0.332 2.619 1.00 24.04 C ATOM 938 CG PRO A 67 -12.399 -0.361 1.311 1.00 44.43 C ATOM 939 CD PRO A 67 -10.973 0.017 1.608 1.00 23.34 C ATOM 0 HA PRO A 67 -12.180 -0.298 4.620 1.00 3.55 H new ATOM 0 HB2 PRO A 67 -13.969 -1.006 2.618 1.00 24.04 H new ATOM 0 HB3 PRO A 67 -13.491 0.666 2.841 1.00 24.04 H new ATOM 0 HG2 PRO A 67 -12.454 -1.351 0.858 1.00 44.43 H new ATOM 0 HG3 PRO A 67 -12.849 0.338 0.606 1.00 44.43 H new ATOM 0 HD2 PRO A 67 -10.275 -0.491 0.942 1.00 23.34 H new ATOM 0 HD3 PRO A 67 -10.807 1.087 1.487 1.00 23.34 H new ATOM 944 N ALA A 68 -11.658 -3.067 2.981 1.00 11.03 N ATOM 945 CA ALA A 68 -11.695 -4.517 3.117 1.00 12.33 C ATOM 946 C ALA A 68 -10.712 -5.183 2.160 1.00 3.22 C ATOM 947 O ALA A 68 -10.975 -5.295 0.963 1.00 30.41 O ATOM 948 CB ALA A 68 -13.104 -5.036 2.876 1.00 74.43 C ATOM 0 H ALA A 68 -11.213 -2.735 2.125 1.00 11.03 H new ATOM 0 HA ALA A 68 -11.398 -4.769 4.135 1.00 12.33 H new ATOM 0 HB1 ALA A 68 -13.115 -6.121 2.981 1.00 74.43 H new ATOM 0 HB2 ALA A 68 -13.784 -4.594 3.604 1.00 74.43 H new ATOM 0 HB3 ALA A 68 -13.424 -4.766 1.870 1.00 74.43 H new ATOM 954 N VAL A 69 -9.579 -5.625 2.696 1.00 41.35 N ATOM 955 CA VAL A 69 -8.556 -6.281 1.889 1.00 60.42 C ATOM 956 C VAL A 69 -8.985 -7.693 1.501 1.00 74.30 C ATOM 957 O VAL A 69 -9.162 -8.556 2.360 1.00 52.42 O ATOM 958 CB VAL A 69 -7.211 -6.351 2.636 1.00 63.33 C ATOM 959 CG1 VAL A 69 -6.589 -4.968 2.747 1.00 23.52 C ATOM 960 CG2 VAL A 69 -7.397 -6.974 4.011 1.00 54.31 C ATOM 0 H VAL A 69 -9.346 -5.541 3.685 1.00 41.35 H new ATOM 0 HA VAL A 69 -8.431 -5.682 0.987 1.00 60.42 H new ATOM 0 HB VAL A 69 -6.531 -6.983 2.065 1.00 63.33 H new ATOM 0 HG11 VAL A 69 -5.639 -5.038 3.278 1.00 23.52 H new ATOM 0 HG12 VAL A 69 -6.418 -4.565 1.749 1.00 23.52 H new ATOM 0 HG13 VAL A 69 -7.263 -4.309 3.294 1.00 23.52 H new ATOM 0 HG21 VAL A 69 -6.436 -7.016 4.525 1.00 54.31 H new ATOM 0 HG22 VAL A 69 -8.094 -6.370 4.593 1.00 54.31 H new ATOM 0 HG23 VAL A 69 -7.794 -7.983 3.902 1.00 54.31 H new ATOM 970 N GLY A 70 -9.148 -7.919 0.201 1.00 23.32 N ATOM 971 CA GLY A 70 -9.554 -9.228 -0.278 1.00 34.54 C ATOM 972 C GLY A 70 -8.381 -10.172 -0.449 1.00 54.24 C ATOM 973 O GLY A 70 -7.229 -9.738 -0.496 1.00 41.11 O ATOM 0 H GLY A 70 -9.006 -7.220 -0.528 1.00 23.32 H new ATOM 0 HA2 GLY A 70 -10.267 -9.663 0.422 1.00 34.54 H new ATOM 0 HA3 GLY A 70 -10.070 -9.118 -1.232 1.00 34.54 H new ATOM 977 N ILE A 71 -8.671 -11.464 -0.543 1.00 22.13 N ATOM 978 CA ILE A 71 -7.631 -12.471 -0.709 1.00 70.51 C ATOM 979 C ILE A 71 -6.757 -12.164 -1.922 1.00 20.31 C ATOM 980 O ILE A 71 -5.557 -12.433 -1.916 1.00 62.43 O ATOM 981 CB ILE A 71 -8.232 -13.881 -0.867 1.00 14.34 C ATOM 982 CG1 ILE A 71 -7.220 -14.941 -0.429 1.00 21.02 C ATOM 983 CG2 ILE A 71 -8.661 -14.115 -2.308 1.00 63.32 C ATOM 984 CD1 ILE A 71 -7.137 -16.124 -1.370 1.00 71.20 C ATOM 0 H ILE A 71 -9.619 -11.839 -0.507 1.00 22.13 H new ATOM 0 HA ILE A 71 -7.019 -12.445 0.193 1.00 70.51 H new ATOM 0 HB ILE A 71 -9.112 -13.959 -0.229 1.00 14.34 H new ATOM 0 HG12 ILE A 71 -6.235 -14.481 -0.350 1.00 21.02 H new ATOM 0 HG13 ILE A 71 -7.487 -15.297 0.566 1.00 21.02 H new ATOM 0 HG21 ILE A 71 -9.084 -15.115 -2.404 1.00 63.32 H new ATOM 0 HG22 ILE A 71 -9.411 -13.376 -2.589 1.00 63.32 H new ATOM 0 HG23 ILE A 71 -7.796 -14.022 -2.965 1.00 63.32 H new ATOM 0 HD11 ILE A 71 -6.400 -16.835 -0.997 1.00 71.20 H new ATOM 0 HD12 ILE A 71 -8.111 -16.609 -1.431 1.00 71.20 H new ATOM 0 HD13 ILE A 71 -6.840 -15.781 -2.361 1.00 71.20 H new ATOM 995 N GLN A 72 -7.369 -11.597 -2.955 1.00 43.23 N ATOM 996 CA GLN A 72 -6.647 -11.252 -4.174 1.00 44.04 C ATOM 997 C GLN A 72 -5.805 -9.997 -3.971 1.00 20.41 C ATOM 998 O GLN A 72 -4.910 -9.704 -4.763 1.00 75.10 O ATOM 999 CB GLN A 72 -7.627 -11.042 -5.331 1.00 70.32 C ATOM 1000 CG GLN A 72 -8.180 -12.336 -5.903 1.00 41.12 C ATOM 1001 CD GLN A 72 -8.961 -12.123 -7.185 1.00 21.25 C ATOM 1002 OE1 GLN A 72 -10.166 -12.368 -7.238 1.00 73.33 O ATOM 1003 NE2 GLN A 72 -8.277 -11.662 -8.226 1.00 11.20 N ATOM 0 H GLN A 72 -8.362 -11.367 -2.973 1.00 43.23 H new ATOM 0 HA GLN A 72 -5.980 -12.079 -4.418 1.00 44.04 H new ATOM 0 HB2 GLN A 72 -8.456 -10.424 -4.986 1.00 70.32 H new ATOM 0 HB3 GLN A 72 -7.125 -10.489 -6.125 1.00 70.32 H new ATOM 0 HG2 GLN A 72 -7.357 -13.025 -6.094 1.00 41.12 H new ATOM 0 HG3 GLN A 72 -8.826 -12.809 -5.163 1.00 41.12 H new ATOM 0 HE21 GLN A 72 -7.279 -11.473 -8.137 1.00 11.20 H new ATOM 0 HE22 GLN A 72 -8.750 -11.497 -9.115 1.00 11.20 H new ATOM 1010 N ASP A 73 -6.099 -9.260 -2.906 1.00 61.25 N ATOM 1011 CA ASP A 73 -5.368 -8.037 -2.598 1.00 32.25 C ATOM 1012 C ASP A 73 -3.952 -8.353 -2.125 1.00 22.51 C ATOM 1013 O ASP A 73 -3.149 -7.450 -1.896 1.00 55.11 O ATOM 1014 CB ASP A 73 -6.108 -7.231 -1.527 1.00 62.03 C ATOM 1015 CG ASP A 73 -5.399 -7.261 -0.188 1.00 23.25 C ATOM 1016 OD1 ASP A 73 -5.218 -8.366 0.363 1.00 30.22 O ATOM 1017 OD2 ASP A 73 -5.025 -6.177 0.309 1.00 4.42 O ATOM 0 H ASP A 73 -6.838 -9.488 -2.241 1.00 61.25 H new ATOM 0 HA ASP A 73 -5.303 -7.443 -3.510 1.00 32.25 H new ATOM 0 HB2 ASP A 73 -6.208 -6.198 -1.859 1.00 62.03 H new ATOM 0 HB3 ASP A 73 -7.117 -7.628 -1.410 1.00 62.03 H new ATOM 1021 N GLU A 74 -3.656 -9.641 -1.983 1.00 61.20 N ATOM 1022 CA GLU A 74 -2.338 -10.074 -1.537 1.00 5.41 C ATOM 1023 C GLU A 74 -1.246 -9.526 -2.449 1.00 75.53 C ATOM 1024 O GLU A 74 -1.415 -9.458 -3.666 1.00 75.41 O ATOM 1025 CB GLU A 74 -2.266 -11.603 -1.498 1.00 14.31 C ATOM 1026 CG GLU A 74 -3.045 -12.221 -0.350 1.00 13.00 C ATOM 1027 CD GLU A 74 -3.174 -13.726 -0.476 1.00 64.23 C ATOM 1028 OE1 GLU A 74 -3.691 -14.193 -1.512 1.00 42.52 O ATOM 1029 OE2 GLU A 74 -2.758 -14.438 0.464 1.00 54.22 O ATOM 0 H GLU A 74 -4.310 -10.401 -2.170 1.00 61.20 H new ATOM 0 HA GLU A 74 -2.177 -9.683 -0.532 1.00 5.41 H new ATOM 0 HB2 GLU A 74 -2.646 -12.000 -2.439 1.00 14.31 H new ATOM 0 HB3 GLU A 74 -1.222 -11.907 -1.423 1.00 14.31 H new ATOM 0 HG2 GLU A 74 -2.550 -11.980 0.591 1.00 13.00 H new ATOM 0 HG3 GLU A 74 -4.040 -11.777 -0.310 1.00 13.00 H new ATOM 1034 N GLY A 75 -0.124 -9.136 -1.852 1.00 13.02 N ATOM 1035 CA GLY A 75 0.980 -8.596 -2.626 1.00 45.44 C ATOM 1036 C GLY A 75 1.939 -7.783 -1.780 1.00 31.34 C ATOM 1037 O GLY A 75 2.019 -7.973 -0.566 1.00 71.21 O ATOM 0 H GLY A 75 0.041 -9.184 -0.847 1.00 13.02 H new ATOM 0 HA2 GLY A 75 1.522 -9.415 -3.099 1.00 45.44 H new ATOM 0 HA3 GLY A 75 0.586 -7.970 -3.426 1.00 45.44 H new ATOM 1041 N ILE A 76 2.670 -6.877 -2.420 1.00 44.14 N ATOM 1042 CA ILE A 76 3.629 -6.034 -1.719 1.00 1.25 C ATOM 1043 C ILE A 76 3.362 -4.558 -1.987 1.00 75.15 C ATOM 1044 O ILE A 76 3.148 -4.152 -3.131 1.00 22.23 O ATOM 1045 CB ILE A 76 5.075 -6.366 -2.127 1.00 10.33 C ATOM 1046 CG1 ILE A 76 5.243 -7.875 -2.311 1.00 12.41 C ATOM 1047 CG2 ILE A 76 6.053 -5.841 -1.086 1.00 42.34 C ATOM 1048 CD1 ILE A 76 4.824 -8.682 -1.102 1.00 61.22 C ATOM 0 H ILE A 76 2.616 -6.708 -3.424 1.00 44.14 H new ATOM 0 HA ILE A 76 3.507 -6.235 -0.655 1.00 1.25 H new ATOM 0 HB ILE A 76 5.290 -5.878 -3.078 1.00 10.33 H new ATOM 0 HG12 ILE A 76 4.657 -8.195 -3.172 1.00 12.41 H new ATOM 0 HG13 ILE A 76 6.287 -8.091 -2.538 1.00 12.41 H new ATOM 0 HG21 ILE A 76 7.072 -6.084 -1.389 1.00 42.34 H new ATOM 0 HG22 ILE A 76 5.948 -4.759 -1.001 1.00 42.34 H new ATOM 0 HG23 ILE A 76 5.841 -6.303 -0.122 1.00 42.34 H new ATOM 0 HD11 ILE A 76 4.970 -9.743 -1.304 1.00 61.22 H new ATOM 0 HD12 ILE A 76 5.427 -8.390 -0.243 1.00 61.22 H new ATOM 0 HD13 ILE A 76 3.772 -8.496 -0.887 1.00 61.22 H new ATOM 1059 N PHE A 77 3.379 -3.755 -0.928 1.00 23.25 N ATOM 1060 CA PHE A 77 3.140 -2.322 -1.050 1.00 1.24 C ATOM 1061 C PHE A 77 4.448 -1.544 -0.965 1.00 52.10 C ATOM 1062 O PHE A 77 5.218 -1.702 -0.017 1.00 42.14 O ATOM 1063 CB PHE A 77 2.181 -1.849 0.044 1.00 65.50 C ATOM 1064 CG PHE A 77 2.029 -0.356 0.103 1.00 64.30 C ATOM 1065 CD1 PHE A 77 1.156 0.300 -0.752 1.00 55.31 C ATOM 1066 CD2 PHE A 77 2.757 0.393 1.013 1.00 40.42 C ATOM 1067 CE1 PHE A 77 1.014 1.673 -0.700 1.00 23.23 C ATOM 1068 CE2 PHE A 77 2.617 1.767 1.070 1.00 14.33 C ATOM 1069 CZ PHE A 77 1.746 2.407 0.213 1.00 73.25 C ATOM 0 H PHE A 77 3.556 -4.073 0.025 1.00 23.25 H new ATOM 0 HA PHE A 77 2.689 -2.136 -2.025 1.00 1.24 H new ATOM 0 HB2 PHE A 77 1.202 -2.300 -0.122 1.00 65.50 H new ATOM 0 HB3 PHE A 77 2.538 -2.208 1.009 1.00 65.50 H new ATOM 0 HD1 PHE A 77 0.580 -0.269 -1.467 1.00 55.31 H new ATOM 0 HD2 PHE A 77 3.442 -0.102 1.686 1.00 40.42 H new ATOM 0 HE1 PHE A 77 0.332 2.172 -1.372 1.00 23.23 H new ATOM 0 HE2 PHE A 77 3.189 2.339 1.785 1.00 14.33 H new ATOM 0 HZ PHE A 77 1.636 3.481 0.256 1.00 73.25 H new ATOM 1078 N ARG A 78 4.696 -0.701 -1.963 1.00 24.04 N ATOM 1079 CA ARG A 78 5.913 0.100 -2.002 1.00 74.55 C ATOM 1080 C ARG A 78 5.581 1.583 -2.159 1.00 11.54 C ATOM 1081 O ARG A 78 4.839 1.973 -3.060 1.00 64.23 O ATOM 1082 CB ARG A 78 6.812 -0.355 -3.153 1.00 2.42 C ATOM 1083 CG ARG A 78 8.272 -0.509 -2.760 1.00 10.24 C ATOM 1084 CD ARG A 78 9.082 0.723 -3.133 1.00 52.32 C ATOM 1085 NE ARG A 78 9.544 0.674 -4.518 1.00 74.11 N ATOM 1086 CZ ARG A 78 9.858 1.754 -5.226 1.00 50.02 C ATOM 1087 NH1 ARG A 78 9.761 2.959 -4.682 1.00 64.14 N ATOM 1088 NH2 ARG A 78 10.270 1.628 -6.481 1.00 73.15 N ATOM 0 H ARG A 78 4.070 -0.556 -2.755 1.00 24.04 H new ATOM 0 HA ARG A 78 6.442 -0.041 -1.059 1.00 74.55 H new ATOM 0 HB2 ARG A 78 6.445 -1.307 -3.535 1.00 2.42 H new ATOM 0 HB3 ARG A 78 6.738 0.365 -3.968 1.00 2.42 H new ATOM 0 HG2 ARG A 78 8.345 -0.682 -1.686 1.00 10.24 H new ATOM 0 HG3 ARG A 78 8.692 -1.385 -3.253 1.00 10.24 H new ATOM 0 HD2 ARG A 78 8.474 1.615 -2.985 1.00 52.32 H new ATOM 0 HD3 ARG A 78 9.941 0.808 -2.467 1.00 52.32 H new ATOM 0 HE ARG A 78 9.630 -0.238 -4.966 1.00 74.11 H new ATOM 0 HH11 ARG A 78 9.445 3.059 -3.717 1.00 64.14 H new ATOM 0 HH12 ARG A 78 10.003 3.786 -5.228 1.00 64.14 H new ATOM 0 HH21 ARG A 78 10.346 0.702 -6.902 1.00 73.15 H new ATOM 0 HH22 ARG A 78 10.511 2.457 -7.024 1.00 73.15 H new ATOM 1099 N CYS A 79 6.138 2.404 -1.274 1.00 71.33 N ATOM 1100 CA CYS A 79 5.902 3.842 -1.313 1.00 32.12 C ATOM 1101 C CYS A 79 7.215 4.605 -1.457 1.00 74.12 C ATOM 1102 O CYS A 79 8.251 4.180 -0.945 1.00 44.52 O ATOM 1103 CB CYS A 79 5.174 4.294 -0.045 1.00 31.12 C ATOM 1104 SG CYS A 79 5.493 6.028 0.418 1.00 41.14 S ATOM 0 H CYS A 79 6.755 2.098 -0.522 1.00 71.33 H new ATOM 0 HA CYS A 79 5.279 4.060 -2.180 1.00 32.12 H new ATOM 0 HB2 CYS A 79 4.102 4.158 -0.187 1.00 31.12 H new ATOM 0 HB3 CYS A 79 5.471 3.648 0.781 1.00 31.12 H new ATOM 1108 N GLN A 80 7.164 5.734 -2.160 1.00 0.55 N ATOM 1109 CA GLN A 80 8.349 6.555 -2.372 1.00 4.41 C ATOM 1110 C GLN A 80 8.014 8.037 -2.253 1.00 71.11 C ATOM 1111 O GLN A 80 7.032 8.510 -2.829 1.00 15.54 O ATOM 1112 CB GLN A 80 8.956 6.267 -3.746 1.00 62.00 C ATOM 1113 CG GLN A 80 10.154 7.141 -4.079 1.00 2.30 C ATOM 1114 CD GLN A 80 10.746 6.827 -5.440 1.00 34.44 C ATOM 1115 OE1 GLN A 80 10.684 5.691 -5.909 1.00 71.41 O ATOM 1116 NE2 GLN A 80 11.324 7.837 -6.080 1.00 71.22 N ATOM 0 H GLN A 80 6.315 6.099 -2.591 1.00 0.55 H new ATOM 0 HA GLN A 80 9.076 6.303 -1.600 1.00 4.41 H new ATOM 0 HB2 GLN A 80 9.258 5.220 -3.788 1.00 62.00 H new ATOM 0 HB3 GLN A 80 8.190 6.409 -4.509 1.00 62.00 H new ATOM 0 HG2 GLN A 80 9.854 8.188 -4.051 1.00 2.30 H new ATOM 0 HG3 GLN A 80 10.920 7.008 -3.315 1.00 2.30 H new ATOM 0 HE21 GLN A 80 11.352 8.763 -5.652 1.00 71.22 H new ATOM 0 HE22 GLN A 80 11.740 7.687 -6.999 1.00 71.22 H new ATOM 1123 N ALA A 81 8.833 8.766 -1.503 1.00 24.54 N ATOM 1124 CA ALA A 81 8.621 10.195 -1.308 1.00 54.34 C ATOM 1125 C ALA A 81 9.911 10.977 -1.540 1.00 1.34 C ATOM 1126 O ALA A 81 11.000 10.403 -1.555 1.00 44.03 O ATOM 1127 CB ALA A 81 8.083 10.465 0.089 1.00 70.41 C ATOM 0 H ALA A 81 9.650 8.391 -1.020 1.00 24.54 H new ATOM 0 HA ALA A 81 7.885 10.531 -2.039 1.00 54.34 H new ATOM 0 HB1 ALA A 81 7.930 11.536 0.219 1.00 70.41 H new ATOM 0 HB2 ALA A 81 7.134 9.944 0.221 1.00 70.41 H new ATOM 0 HB3 ALA A 81 8.799 10.108 0.830 1.00 70.41 H new ATOM 1133 N MET A 82 9.780 12.286 -1.718 1.00 53.41 N ATOM 1134 CA MET A 82 10.936 13.146 -1.947 1.00 1.15 C ATOM 1135 C MET A 82 10.924 14.339 -0.998 1.00 52.12 C ATOM 1136 O MET A 82 9.949 15.087 -0.941 1.00 30.14 O ATOM 1137 CB MET A 82 10.957 13.632 -3.398 1.00 12.22 C ATOM 1138 CG MET A 82 11.014 12.505 -4.416 1.00 61.42 C ATOM 1139 SD MET A 82 12.000 12.927 -5.865 1.00 72.35 S ATOM 1140 CE MET A 82 13.631 13.062 -5.138 1.00 44.33 C ATOM 0 H MET A 82 8.885 12.776 -1.708 1.00 53.41 H new ATOM 0 HA MET A 82 11.836 12.562 -1.754 1.00 1.15 H new ATOM 0 HB2 MET A 82 10.067 14.234 -3.584 1.00 12.22 H new ATOM 0 HB3 MET A 82 11.819 14.284 -3.542 1.00 12.22 H new ATOM 0 HG2 MET A 82 11.431 11.615 -3.944 1.00 61.42 H new ATOM 0 HG3 MET A 82 10.001 12.254 -4.731 1.00 61.42 H new ATOM 0 HE1 MET A 82 13.973 14.095 -5.201 1.00 44.33 H new ATOM 0 HE2 MET A 82 13.590 12.756 -4.093 1.00 44.33 H new ATOM 0 HE3 MET A 82 14.324 12.417 -5.678 1.00 44.33 H new ATOM 1148 N ASN A 83 12.014 14.511 -0.257 1.00 70.43 N ATOM 1149 CA ASN A 83 12.127 15.615 0.691 1.00 51.20 C ATOM 1150 C ASN A 83 12.662 16.868 0.005 1.00 73.15 C ATOM 1151 O ASN A 83 13.062 16.828 -1.158 1.00 52.22 O ATOM 1152 CB ASN A 83 13.043 15.225 1.853 1.00 22.25 C ATOM 1153 CG ASN A 83 12.321 14.410 2.908 1.00 1.43 C ATOM 1154 OD1 ASN A 83 11.945 14.927 3.960 1.00 72.15 O ATOM 1155 ND2 ASN A 83 12.124 13.125 2.632 1.00 1.14 N ATOM 0 H ASN A 83 12.831 13.901 -0.294 1.00 70.43 H new ATOM 0 HA ASN A 83 11.132 15.832 1.079 1.00 51.20 H new ATOM 0 HB2 ASN A 83 13.888 14.652 1.470 1.00 22.25 H new ATOM 0 HB3 ASN A 83 13.450 16.127 2.310 1.00 22.25 H new ATOM 0 HD21 ASN A 83 11.645 12.527 3.305 1.00 1.14 H new ATOM 0 HD22 ASN A 83 12.452 12.737 1.748 1.00 1.14 H new ATOM 1161 N ARG A 84 12.668 17.979 0.734 1.00 3.15 N ATOM 1162 CA ARG A 84 13.153 19.244 0.197 1.00 21.34 C ATOM 1163 C ARG A 84 14.670 19.213 0.020 1.00 61.13 C ATOM 1164 O ARG A 84 15.235 20.022 -0.714 1.00 11.21 O ATOM 1165 CB ARG A 84 12.761 20.399 1.119 1.00 43.21 C ATOM 1166 CG ARG A 84 12.745 21.752 0.427 1.00 1.53 C ATOM 1167 CD ARG A 84 12.258 22.849 1.361 1.00 51.03 C ATOM 1168 NE ARG A 84 11.938 24.079 0.641 1.00 64.52 N ATOM 1169 CZ ARG A 84 11.628 25.223 1.241 1.00 52.34 C ATOM 1170 NH1 ARG A 84 11.597 25.295 2.565 1.00 3.52 N ATOM 1171 NH2 ARG A 84 11.350 26.299 0.517 1.00 63.31 N ATOM 0 H ARG A 84 12.342 18.028 1.699 1.00 3.15 H new ATOM 0 HA ARG A 84 12.692 19.396 -0.779 1.00 21.34 H new ATOM 0 HB2 ARG A 84 11.773 20.201 1.535 1.00 43.21 H new ATOM 0 HB3 ARG A 84 13.458 20.437 1.956 1.00 43.21 H new ATOM 0 HG2 ARG A 84 13.747 21.993 0.073 1.00 1.53 H new ATOM 0 HG3 ARG A 84 12.099 21.706 -0.450 1.00 1.53 H new ATOM 0 HD2 ARG A 84 11.375 22.503 1.897 1.00 51.03 H new ATOM 0 HD3 ARG A 84 13.024 23.055 2.108 1.00 51.03 H new ATOM 0 HE ARG A 84 11.953 24.058 -0.379 1.00 64.52 H new ATOM 0 HH11 ARG A 84 11.812 24.470 3.126 1.00 3.52 H new ATOM 0 HH12 ARG A 84 11.359 26.175 3.022 1.00 3.52 H new ATOM 0 HH21 ARG A 84 11.374 26.249 -0.501 1.00 63.31 H new ATOM 0 HH22 ARG A 84 11.112 27.177 0.979 1.00 63.31 H new ATOM 1182 N ASN A 85 15.320 18.273 0.699 1.00 63.53 N ATOM 1183 CA ASN A 85 16.769 18.138 0.617 1.00 0.13 C ATOM 1184 C ASN A 85 17.186 17.549 -0.727 1.00 41.40 C ATOM 1185 O ASN A 85 18.335 17.684 -1.147 1.00 40.21 O ATOM 1186 CB ASN A 85 17.285 17.255 1.756 1.00 31.01 C ATOM 1187 CG ASN A 85 16.970 17.830 3.122 1.00 14.15 C ATOM 1188 OD1 ASN A 85 16.251 17.222 3.915 1.00 45.15 O ATOM 1189 ND2 ASN A 85 17.508 19.011 3.404 1.00 15.24 N ATOM 0 H ASN A 85 14.866 17.595 1.311 1.00 63.53 H new ATOM 0 HA ASN A 85 17.207 19.132 0.709 1.00 0.13 H new ATOM 0 HB2 ASN A 85 16.842 16.263 1.672 1.00 31.01 H new ATOM 0 HB3 ASN A 85 18.363 17.132 1.657 1.00 31.01 H new ATOM 0 HD21 ASN A 85 17.331 19.449 4.308 1.00 15.24 H new ATOM 0 HD22 ASN A 85 18.098 19.480 2.717 1.00 15.24 H new ATOM 1195 N GLY A 86 16.243 16.895 -1.398 1.00 34.40 N ATOM 1196 CA GLY A 86 16.531 16.295 -2.688 1.00 14.51 C ATOM 1197 C GLY A 86 16.594 14.781 -2.623 1.00 14.13 C ATOM 1198 O GLY A 86 16.555 14.106 -3.651 1.00 61.22 O ATOM 0 H GLY A 86 15.285 16.770 -1.072 1.00 34.40 H new ATOM 0 HA2 GLY A 86 15.764 16.593 -3.403 1.00 14.51 H new ATOM 0 HA3 GLY A 86 17.481 16.679 -3.060 1.00 14.51 H new ATOM 1202 N LYS A 87 16.695 14.247 -1.411 1.00 23.41 N ATOM 1203 CA LYS A 87 16.764 12.805 -1.213 1.00 24.00 C ATOM 1204 C LYS A 87 15.366 12.193 -1.168 1.00 3.01 C ATOM 1205 O LYS A 87 14.422 12.820 -0.690 1.00 60.35 O ATOM 1206 CB LYS A 87 17.516 12.481 0.079 1.00 22.40 C ATOM 1207 CG LYS A 87 19.021 12.390 -0.099 1.00 13.03 C ATOM 1208 CD LYS A 87 19.612 13.719 -0.538 1.00 1.24 C ATOM 1209 CE LYS A 87 19.397 14.798 0.512 1.00 23.54 C ATOM 1210 NZ LYS A 87 19.955 14.404 1.836 1.00 51.34 N ATOM 0 H LYS A 87 16.731 14.792 -0.550 1.00 23.41 H new ATOM 0 HA LYS A 87 17.303 12.374 -2.057 1.00 24.00 H new ATOM 0 HB2 LYS A 87 17.292 13.247 0.821 1.00 22.40 H new ATOM 0 HB3 LYS A 87 17.148 11.535 0.476 1.00 22.40 H new ATOM 0 HG2 LYS A 87 19.481 12.078 0.839 1.00 13.03 H new ATOM 0 HG3 LYS A 87 19.255 11.625 -0.839 1.00 13.03 H new ATOM 0 HD2 LYS A 87 20.679 13.600 -0.726 1.00 1.24 H new ATOM 0 HD3 LYS A 87 19.156 14.029 -1.478 1.00 1.24 H new ATOM 0 HE2 LYS A 87 19.866 15.725 0.182 1.00 23.54 H new ATOM 0 HE3 LYS A 87 18.330 14.999 0.613 1.00 23.54 H new ATOM 0 HZ1 LYS A 87 20.005 15.239 2.454 1.00 51.34 H new ATOM 0 HZ2 LYS A 87 19.341 13.687 2.272 1.00 51.34 H new ATOM 0 HZ3 LYS A 87 20.909 14.011 1.708 1.00 51.34 H new ATOM 1220 N GLU A 88 15.245 10.967 -1.667 1.00 21.21 N ATOM 1221 CA GLU A 88 13.963 10.273 -1.682 1.00 12.14 C ATOM 1222 C GLU A 88 13.921 9.184 -0.613 1.00 43.02 C ATOM 1223 O GLU A 88 14.930 8.536 -0.332 1.00 4.13 O ATOM 1224 CB GLU A 88 13.704 9.661 -3.059 1.00 75.32 C ATOM 1225 CG GLU A 88 14.357 8.303 -3.255 1.00 11.15 C ATOM 1226 CD GLU A 88 14.162 7.758 -4.656 1.00 63.44 C ATOM 1227 OE1 GLU A 88 14.262 8.545 -5.620 1.00 72.23 O ATOM 1228 OE2 GLU A 88 13.905 6.541 -4.787 1.00 54.13 O ATOM 0 H GLU A 88 16.018 10.435 -2.066 1.00 21.21 H new ATOM 0 HA GLU A 88 13.183 11.002 -1.465 1.00 12.14 H new ATOM 0 HB2 GLU A 88 12.629 9.562 -3.207 1.00 75.32 H new ATOM 0 HB3 GLU A 88 14.070 10.344 -3.825 1.00 75.32 H new ATOM 0 HG2 GLU A 88 15.424 8.384 -3.046 1.00 11.15 H new ATOM 0 HG3 GLU A 88 13.943 7.598 -2.534 1.00 11.15 H new ATOM 1233 N THR A 89 12.747 8.987 -0.021 1.00 34.10 N ATOM 1234 CA THR A 89 12.573 7.980 1.017 1.00 53.54 C ATOM 1235 C THR A 89 11.872 6.743 0.470 1.00 43.04 C ATOM 1236 O THR A 89 10.855 6.846 -0.218 1.00 43.44 O ATOM 1237 CB THR A 89 11.764 8.531 2.206 1.00 2.30 C ATOM 1238 OG1 THR A 89 11.875 9.958 2.254 1.00 53.30 O ATOM 1239 CG2 THR A 89 12.255 7.935 3.517 1.00 45.22 C ATOM 0 H THR A 89 11.902 9.513 -0.244 1.00 34.10 H new ATOM 0 HA THR A 89 13.570 7.707 1.362 1.00 53.54 H new ATOM 0 HB THR A 89 10.719 8.252 2.067 1.00 2.30 H new ATOM 0 HG1 THR A 89 12.120 10.237 3.161 1.00 53.30 H new ATOM 0 HG21 THR A 89 11.669 8.339 4.342 1.00 45.22 H new ATOM 0 HG22 THR A 89 12.143 6.851 3.489 1.00 45.22 H new ATOM 0 HG23 THR A 89 13.306 8.187 3.661 1.00 45.22 H new ATOM 1247 N LYS A 90 12.418 5.572 0.778 1.00 1.32 N ATOM 1248 CA LYS A 90 11.845 4.313 0.319 1.00 21.01 C ATOM 1249 C LYS A 90 11.010 3.661 1.418 1.00 35.12 C ATOM 1250 O LYS A 90 11.335 3.765 2.602 1.00 52.33 O ATOM 1251 CB LYS A 90 12.952 3.357 -0.129 1.00 2.42 C ATOM 1252 CG LYS A 90 13.905 2.964 0.987 1.00 73.31 C ATOM 1253 CD LYS A 90 14.303 1.502 0.892 1.00 11.51 C ATOM 1254 CE LYS A 90 14.765 1.139 -0.510 1.00 54.25 C ATOM 1255 NZ LYS A 90 16.200 1.478 -0.727 1.00 70.11 N ATOM 0 H LYS A 90 13.259 5.469 1.345 1.00 1.32 H new ATOM 0 HA LYS A 90 11.194 4.528 -0.529 1.00 21.01 H new ATOM 0 HB2 LYS A 90 12.498 2.456 -0.541 1.00 2.42 H new ATOM 0 HB3 LYS A 90 13.520 3.824 -0.933 1.00 2.42 H new ATOM 0 HG2 LYS A 90 14.797 3.588 0.941 1.00 73.31 H new ATOM 0 HG3 LYS A 90 13.434 3.152 1.952 1.00 73.31 H new ATOM 0 HD2 LYS A 90 15.102 1.294 1.604 1.00 11.51 H new ATOM 0 HD3 LYS A 90 13.456 0.875 1.171 1.00 11.51 H new ATOM 0 HE2 LYS A 90 14.615 0.072 -0.677 1.00 54.25 H new ATOM 0 HE3 LYS A 90 14.153 1.666 -1.242 1.00 54.25 H new ATOM 0 HZ1 LYS A 90 16.687 0.666 -1.156 1.00 70.11 H new ATOM 0 HZ2 LYS A 90 16.271 2.299 -1.361 1.00 70.11 H new ATOM 0 HZ3 LYS A 90 16.645 1.706 0.185 1.00 70.11 H new ATOM 1265 N SER A 91 9.934 2.992 1.020 1.00 61.21 N ATOM 1266 CA SER A 91 9.053 2.326 1.973 1.00 62.23 C ATOM 1267 C SER A 91 8.501 1.030 1.387 1.00 24.22 C ATOM 1268 O SER A 91 7.888 1.028 0.320 1.00 3.32 O ATOM 1269 CB SER A 91 7.899 3.252 2.365 1.00 51.43 C ATOM 1270 OG SER A 91 8.384 4.469 2.905 1.00 14.24 O ATOM 0 H SER A 91 9.651 2.896 0.045 1.00 61.21 H new ATOM 0 HA SER A 91 9.635 2.085 2.862 1.00 62.23 H new ATOM 0 HB2 SER A 91 7.281 3.459 1.491 1.00 51.43 H new ATOM 0 HB3 SER A 91 7.261 2.755 3.096 1.00 51.43 H new ATOM 0 HG SER A 91 7.839 5.214 2.575 1.00 14.24 H new ATOM 1275 N ASN A 92 8.726 -0.074 2.095 1.00 64.32 N ATOM 1276 CA ASN A 92 8.253 -1.378 1.646 1.00 74.45 C ATOM 1277 C ASN A 92 7.450 -2.073 2.743 1.00 52.32 C ATOM 1278 O ASN A 92 7.958 -2.313 3.839 1.00 34.44 O ATOM 1279 CB ASN A 92 9.435 -2.256 1.228 1.00 45.50 C ATOM 1280 CG ASN A 92 9.083 -3.732 1.222 1.00 40.51 C ATOM 1281 OD1 ASN A 92 9.848 -4.564 1.712 1.00 42.15 O ATOM 1282 ND2 ASN A 92 7.924 -4.062 0.664 1.00 33.24 N ATOM 0 H ASN A 92 9.232 -0.090 2.980 1.00 64.32 H new ATOM 0 HA ASN A 92 7.601 -1.224 0.786 1.00 74.45 H new ATOM 0 HB2 ASN A 92 9.770 -1.961 0.234 1.00 45.50 H new ATOM 0 HB3 ASN A 92 10.269 -2.087 1.909 1.00 45.50 H new ATOM 0 HD21 ASN A 92 7.635 -5.040 0.629 1.00 33.24 H new ATOM 0 HD22 ASN A 92 7.323 -3.338 0.271 1.00 33.24 H new ATOM 1288 N TYR A 93 6.198 -2.393 2.439 1.00 61.12 N ATOM 1289 CA TYR A 93 5.325 -3.059 3.398 1.00 34.54 C ATOM 1290 C TYR A 93 4.686 -4.300 2.785 1.00 71.33 C ATOM 1291 O TYR A 93 4.017 -4.222 1.754 1.00 64.44 O ATOM 1292 CB TYR A 93 4.238 -2.098 3.883 1.00 53.13 C ATOM 1293 CG TYR A 93 4.680 -1.206 5.020 1.00 63.01 C ATOM 1294 CD1 TYR A 93 5.732 -0.311 4.860 1.00 44.41 C ATOM 1295 CD2 TYR A 93 4.047 -1.257 6.255 1.00 31.45 C ATOM 1296 CE1 TYR A 93 6.140 0.503 5.899 1.00 72.35 C ATOM 1297 CE2 TYR A 93 4.446 -0.443 7.299 1.00 62.32 C ATOM 1298 CZ TYR A 93 5.494 0.434 7.115 1.00 73.23 C ATOM 1299 OH TYR A 93 5.896 1.246 8.151 1.00 33.20 O ATOM 0 H TYR A 93 5.764 -2.202 1.536 1.00 61.12 H new ATOM 0 HA TYR A 93 5.933 -3.369 4.248 1.00 34.54 H new ATOM 0 HB2 TYR A 93 3.917 -1.475 3.048 1.00 53.13 H new ATOM 0 HB3 TYR A 93 3.370 -2.676 4.202 1.00 53.13 H new ATOM 0 HD1 TYR A 93 6.238 -0.251 3.908 1.00 44.41 H new ATOM 0 HD2 TYR A 93 3.228 -1.945 6.403 1.00 31.45 H new ATOM 0 HE1 TYR A 93 6.961 1.190 5.759 1.00 72.35 H new ATOM 0 HE2 TYR A 93 3.940 -0.494 8.252 1.00 62.32 H new ATOM 0 HH TYR A 93 5.872 0.741 8.991 1.00 33.20 H new ATOM 1308 N ARG A 94 4.898 -5.445 3.425 1.00 24.31 N ATOM 1309 CA ARG A 94 4.343 -6.704 2.942 1.00 20.25 C ATOM 1310 C ARG A 94 2.909 -6.889 3.431 1.00 41.24 C ATOM 1311 O ARG A 94 2.608 -6.671 4.605 1.00 75.31 O ATOM 1312 CB ARG A 94 5.207 -7.878 3.408 1.00 61.10 C ATOM 1313 CG ARG A 94 6.696 -7.570 3.421 1.00 64.40 C ATOM 1314 CD ARG A 94 7.226 -7.324 2.018 1.00 52.21 C ATOM 1315 NE ARG A 94 7.348 -8.563 1.254 1.00 20.14 N ATOM 1316 CZ ARG A 94 8.242 -9.508 1.522 1.00 4.23 C ATOM 1317 NH1 ARG A 94 9.089 -9.356 2.531 1.00 32.23 N ATOM 1318 NH2 ARG A 94 8.290 -10.607 0.781 1.00 42.23 N ATOM 0 H ARG A 94 5.450 -5.527 4.279 1.00 24.31 H new ATOM 0 HA ARG A 94 4.337 -6.676 1.852 1.00 20.25 H new ATOM 0 HB2 ARG A 94 4.896 -8.171 4.411 1.00 61.10 H new ATOM 0 HB3 ARG A 94 5.027 -8.732 2.756 1.00 61.10 H new ATOM 0 HG2 ARG A 94 6.882 -6.692 4.040 1.00 64.40 H new ATOM 0 HG3 ARG A 94 7.237 -8.401 3.875 1.00 64.40 H new ATOM 0 HD2 ARG A 94 6.560 -6.639 1.494 1.00 52.21 H new ATOM 0 HD3 ARG A 94 8.200 -6.838 2.078 1.00 52.21 H new ATOM 0 HE ARG A 94 6.711 -8.711 0.471 1.00 20.14 H new ATOM 0 HH11 ARG A 94 9.055 -8.512 3.103 1.00 32.23 H new ATOM 0 HH12 ARG A 94 9.775 -10.083 2.735 1.00 32.23 H new ATOM 0 HH21 ARG A 94 7.640 -10.727 0.004 1.00 42.23 H new ATOM 0 HH22 ARG A 94 8.977 -11.332 0.988 1.00 42.23 H new ATOM 1329 N VAL A 95 2.028 -7.293 2.522 1.00 23.24 N ATOM 1330 CA VAL A 95 0.626 -7.508 2.860 1.00 63.43 C ATOM 1331 C VAL A 95 0.211 -8.950 2.590 1.00 61.44 C ATOM 1332 O VAL A 95 0.442 -9.481 1.503 1.00 32.24 O ATOM 1333 CB VAL A 95 -0.295 -6.562 2.063 1.00 5.40 C ATOM 1334 CG1 VAL A 95 -1.755 -6.919 2.295 1.00 3.24 C ATOM 1335 CG2 VAL A 95 -0.024 -5.114 2.440 1.00 20.35 C ATOM 0 H VAL A 95 2.260 -7.478 1.546 1.00 23.24 H new ATOM 0 HA VAL A 95 0.520 -7.295 3.924 1.00 63.43 H new ATOM 0 HB VAL A 95 -0.081 -6.683 1.001 1.00 5.40 H new ATOM 0 HG11 VAL A 95 -2.390 -6.241 1.725 1.00 3.24 H new ATOM 0 HG12 VAL A 95 -1.935 -7.944 1.971 1.00 3.24 H new ATOM 0 HG13 VAL A 95 -1.988 -6.828 3.356 1.00 3.24 H new ATOM 0 HG21 VAL A 95 -0.682 -4.460 1.868 1.00 20.35 H new ATOM 0 HG22 VAL A 95 -0.209 -4.975 3.505 1.00 20.35 H new ATOM 0 HG23 VAL A 95 1.014 -4.868 2.217 1.00 20.35 H new ATOM 1345 N ARG A 96 -0.405 -9.580 3.585 1.00 35.23 N ATOM 1346 CA ARG A 96 -0.853 -10.961 3.456 1.00 12.23 C ATOM 1347 C ARG A 96 -2.261 -11.131 4.017 1.00 15.10 C ATOM 1348 O ARG A 96 -2.629 -10.493 5.005 1.00 13.32 O ATOM 1349 CB ARG A 96 0.113 -11.902 4.180 1.00 13.10 C ATOM 1350 CG ARG A 96 0.801 -12.895 3.257 1.00 35.24 C ATOM 1351 CD ARG A 96 1.956 -12.251 2.507 1.00 53.51 C ATOM 1352 NE ARG A 96 2.988 -11.754 3.413 1.00 44.12 N ATOM 1353 CZ ARG A 96 4.211 -11.414 3.017 1.00 63.11 C ATOM 1354 NH1 ARG A 96 4.550 -11.515 1.740 1.00 73.50 N ATOM 1355 NH2 ARG A 96 5.095 -10.971 3.902 1.00 42.44 N ATOM 0 H ARG A 96 -0.605 -9.155 4.490 1.00 35.23 H new ATOM 0 HA ARG A 96 -0.870 -11.213 2.396 1.00 12.23 H new ATOM 0 HB2 ARG A 96 0.871 -11.308 4.691 1.00 13.10 H new ATOM 0 HB3 ARG A 96 -0.434 -12.450 4.947 1.00 13.10 H new ATOM 0 HG2 ARG A 96 1.170 -13.739 3.839 1.00 35.24 H new ATOM 0 HG3 ARG A 96 0.078 -13.291 2.544 1.00 35.24 H new ATOM 0 HD2 ARG A 96 2.394 -12.978 1.823 1.00 53.51 H new ATOM 0 HD3 ARG A 96 1.580 -11.428 1.900 1.00 53.51 H new ATOM 0 HE ARG A 96 2.758 -11.663 4.403 1.00 44.12 H new ATOM 0 HH11 ARG A 96 3.872 -11.854 1.058 1.00 73.50 H new ATOM 0 HH12 ARG A 96 5.489 -11.253 1.439 1.00 73.50 H new ATOM 0 HH21 ARG A 96 4.836 -10.891 4.885 1.00 42.44 H new ATOM 0 HH22 ARG A 96 6.033 -10.710 3.599 1.00 42.44 H new ATOM 1366 N VAL A 97 -3.046 -11.995 3.381 1.00 73.40 N ATOM 1367 CA VAL A 97 -4.414 -12.249 3.816 1.00 51.43 C ATOM 1368 C VAL A 97 -4.548 -13.642 4.420 1.00 1.24 C ATOM 1369 O VAL A 97 -3.561 -14.364 4.566 1.00 44.02 O ATOM 1370 CB VAL A 97 -5.410 -12.109 2.649 1.00 14.32 C ATOM 1371 CG1 VAL A 97 -5.174 -10.806 1.899 1.00 52.43 C ATOM 1372 CG2 VAL A 97 -5.301 -13.301 1.712 1.00 64.24 C ATOM 0 H VAL A 97 -2.758 -12.531 2.562 1.00 73.40 H new ATOM 0 HA VAL A 97 -4.649 -11.503 4.575 1.00 51.43 H new ATOM 0 HB VAL A 97 -6.421 -12.087 3.056 1.00 14.32 H new ATOM 0 HG11 VAL A 97 -5.887 -10.724 1.078 1.00 52.43 H new ATOM 0 HG12 VAL A 97 -5.307 -9.965 2.580 1.00 52.43 H new ATOM 0 HG13 VAL A 97 -4.159 -10.794 1.501 1.00 52.43 H new ATOM 0 HG21 VAL A 97 -6.011 -13.186 0.893 1.00 64.24 H new ATOM 0 HG22 VAL A 97 -4.289 -13.356 1.310 1.00 64.24 H new ATOM 0 HG23 VAL A 97 -5.524 -14.216 2.260 1.00 64.24 H new ATOM 1382 N TYR A 98 -5.774 -14.014 4.769 1.00 24.45 N ATOM 1383 CA TYR A 98 -6.038 -15.320 5.359 1.00 43.31 C ATOM 1384 C TYR A 98 -5.755 -16.437 4.360 1.00 71.43 C ATOM 1385 O TYR A 98 -4.774 -17.168 4.492 1.00 10.51 O ATOM 1386 CB TYR A 98 -7.489 -15.404 5.837 1.00 45.04 C ATOM 1387 CG TYR A 98 -7.746 -16.544 6.797 1.00 42.32 C ATOM 1388 CD1 TYR A 98 -7.624 -17.866 6.385 1.00 22.13 C ATOM 1389 CD2 TYR A 98 -8.112 -16.300 8.115 1.00 51.42 C ATOM 1390 CE1 TYR A 98 -7.857 -18.910 7.259 1.00 45.05 C ATOM 1391 CE2 TYR A 98 -8.345 -17.338 8.996 1.00 64.15 C ATOM 1392 CZ TYR A 98 -8.217 -18.642 8.562 1.00 31.54 C ATOM 1393 OH TYR A 98 -8.452 -19.679 9.436 1.00 54.12 O ATOM 0 H TYR A 98 -6.601 -13.429 4.653 1.00 24.45 H new ATOM 0 HA TYR A 98 -5.373 -15.445 6.214 1.00 43.31 H new ATOM 0 HB2 TYR A 98 -7.758 -14.465 6.321 1.00 45.04 H new ATOM 0 HB3 TYR A 98 -8.142 -15.515 4.971 1.00 45.04 H new ATOM 0 HD1 TYR A 98 -7.342 -18.080 5.365 1.00 22.13 H new ATOM 0 HD2 TYR A 98 -8.216 -15.281 8.457 1.00 51.42 H new ATOM 0 HE1 TYR A 98 -7.758 -19.931 6.923 1.00 45.05 H new ATOM 0 HE2 TYR A 98 -8.626 -17.131 10.018 1.00 64.15 H new ATOM 0 HH TYR A 98 -8.694 -19.318 10.314 1.00 54.12 H new ATOM 1402 N GLN A 99 -6.621 -16.561 3.360 1.00 42.20 N ATOM 1403 CA GLN A 99 -6.464 -17.588 2.336 1.00 22.14 C ATOM 1404 C GLN A 99 -5.287 -17.270 1.421 1.00 25.43 C ATOM 1405 O GLN A 99 -5.064 -16.113 1.061 1.00 54.45 O ATOM 1406 CB GLN A 99 -7.747 -17.717 1.513 1.00 41.21 C ATOM 1407 CG GLN A 99 -8.645 -18.860 1.958 1.00 45.44 C ATOM 1408 CD GLN A 99 -8.761 -18.956 3.467 1.00 73.22 C ATOM 1409 OE1 GLN A 99 -9.397 -18.118 4.107 1.00 11.03 O ATOM 1410 NE2 GLN A 99 -8.146 -19.982 4.044 1.00 60.33 N ATOM 0 H GLN A 99 -7.438 -15.964 3.237 1.00 42.20 H new ATOM 0 HA GLN A 99 -6.265 -18.536 2.835 1.00 22.14 H new ATOM 0 HB2 GLN A 99 -8.305 -16.783 1.576 1.00 41.21 H new ATOM 0 HB3 GLN A 99 -7.483 -17.860 0.465 1.00 41.21 H new ATOM 0 HG2 GLN A 99 -9.638 -18.726 1.529 1.00 45.44 H new ATOM 0 HG3 GLN A 99 -8.253 -19.799 1.567 1.00 45.44 H new ATOM 0 HE21 GLN A 99 -7.630 -20.653 3.475 1.00 60.33 H new ATOM 0 HE22 GLN A 99 -8.190 -20.099 5.056 1.00 60.33 H new ATOM 1417 N ILE A 100 -4.538 -18.302 1.048 1.00 60.13 N ATOM 1418 CA ILE A 100 -3.385 -18.131 0.174 1.00 14.41 C ATOM 1419 C ILE A 100 -3.532 -18.958 -1.098 1.00 44.24 C ATOM 1420 O ILE A 100 -4.299 -19.919 -1.159 1.00 24.30 O ATOM 1421 CB ILE A 100 -2.077 -18.529 0.883 1.00 21.11 C ATOM 1422 CG1 ILE A 100 -2.357 -19.564 1.974 1.00 25.22 C ATOM 1423 CG2 ILE A 100 -1.398 -17.301 1.473 1.00 60.34 C ATOM 1424 CD1 ILE A 100 -1.106 -20.100 2.636 1.00 65.32 C ATOM 0 H ILE A 100 -4.709 -19.265 1.337 1.00 60.13 H new ATOM 0 HA ILE A 100 -3.341 -17.073 -0.086 1.00 14.41 H new ATOM 0 HB ILE A 100 -1.405 -18.974 0.149 1.00 21.11 H new ATOM 0 HG12 ILE A 100 -2.996 -19.115 2.734 1.00 25.22 H new ATOM 0 HG13 ILE A 100 -2.913 -20.395 1.541 1.00 25.22 H new ATOM 0 HG21 ILE A 100 -0.475 -17.599 1.971 1.00 60.34 H new ATOM 0 HG22 ILE A 100 -1.168 -16.594 0.676 1.00 60.34 H new ATOM 0 HG23 ILE A 100 -2.064 -16.829 2.196 1.00 60.34 H new ATOM 0 HD11 ILE A 100 -1.381 -20.829 3.399 1.00 65.32 H new ATOM 0 HD12 ILE A 100 -0.475 -20.579 1.887 1.00 65.32 H new ATOM 0 HD13 ILE A 100 -0.559 -19.279 3.099 1.00 65.32 H new ATOM 1435 N PRO A 101 -2.777 -18.580 -2.140 1.00 74.03 N ATOM 1436 CA PRO A 101 -2.803 -19.276 -3.430 1.00 61.34 C ATOM 1437 C PRO A 101 -2.176 -20.664 -3.354 1.00 21.43 C ATOM 1438 O PRO A 101 -1.609 -21.043 -2.332 1.00 5.22 O ATOM 1439 CB PRO A 101 -1.977 -18.365 -4.342 1.00 62.42 C ATOM 1440 CG PRO A 101 -1.070 -17.628 -3.418 1.00 55.22 C ATOM 1441 CD PRO A 101 -1.839 -17.446 -2.141 1.00 1.13 C ATOM 0 HA PRO A 101 -3.821 -19.444 -3.781 1.00 61.34 H new ATOM 0 HB2 PRO A 101 -1.413 -18.943 -5.073 1.00 62.42 H new ATOM 0 HB3 PRO A 101 -2.615 -17.680 -4.901 1.00 62.42 H new ATOM 0 HG2 PRO A 101 -0.151 -18.188 -3.244 1.00 55.22 H new ATOM 0 HG3 PRO A 101 -0.781 -16.665 -3.840 1.00 55.22 H new ATOM 0 HD2 PRO A 101 -1.183 -17.467 -1.271 1.00 1.13 H new ATOM 0 HD3 PRO A 101 -2.364 -16.491 -2.121 1.00 1.13 H new ATOM 1446 N GLY A 102 -2.283 -21.417 -4.445 1.00 3.20 N ATOM 1447 CA GLY A 102 -1.720 -22.755 -4.481 1.00 22.00 C ATOM 1448 C GLY A 102 -0.973 -23.036 -5.768 1.00 33.25 C ATOM 1449 O GLY A 102 0.257 -23.102 -5.779 1.00 0.14 O ATOM 0 H GLY A 102 -2.749 -21.125 -5.304 1.00 3.20 H new ATOM 0 HA2 GLY A 102 -1.043 -22.884 -3.636 1.00 22.00 H new ATOM 0 HA3 GLY A 102 -2.520 -23.486 -4.362 1.00 22.00 H new ATOM 1453 N LYS A 103 -1.714 -23.202 -6.857 1.00 43.14 N ATOM 1454 CA LYS A 103 -1.115 -23.479 -8.157 1.00 54.32 C ATOM 1455 C LYS A 103 -2.047 -23.054 -9.287 1.00 50.44 C ATOM 1456 O LYS A 103 -3.249 -22.876 -9.099 1.00 25.14 O ATOM 1457 CB LYS A 103 -0.785 -24.968 -8.284 1.00 71.31 C ATOM 1458 CG LYS A 103 0.576 -25.340 -7.725 1.00 42.21 C ATOM 1459 CD LYS A 103 1.171 -26.533 -8.453 1.00 23.14 C ATOM 1460 CE LYS A 103 0.644 -27.847 -7.895 1.00 14.41 C ATOM 1461 NZ LYS A 103 0.165 -28.755 -8.973 1.00 33.25 N ATOM 0 H LYS A 103 -2.733 -23.149 -6.866 1.00 43.14 H new ATOM 0 HA LYS A 103 -0.193 -22.902 -8.235 1.00 54.32 H new ATOM 0 HB2 LYS A 103 -1.551 -25.546 -7.767 1.00 71.31 H new ATOM 0 HB3 LYS A 103 -0.826 -25.252 -9.336 1.00 71.31 H new ATOM 0 HG2 LYS A 103 1.250 -24.488 -7.810 1.00 42.21 H new ATOM 0 HG3 LYS A 103 0.484 -25.569 -6.663 1.00 42.21 H new ATOM 0 HD2 LYS A 103 0.935 -26.467 -9.515 1.00 23.14 H new ATOM 0 HD3 LYS A 103 2.257 -26.509 -8.366 1.00 23.14 H new ATOM 0 HE2 LYS A 103 1.431 -28.342 -7.327 1.00 14.41 H new ATOM 0 HE3 LYS A 103 -0.172 -27.646 -7.201 1.00 14.41 H new ATOM 0 HZ1 LYS A 103 -0.186 -29.639 -8.552 1.00 33.25 H new ATOM 0 HZ2 LYS A 103 -0.604 -28.293 -9.500 1.00 33.25 H new ATOM 0 HZ3 LYS A 103 0.950 -28.968 -9.622 1.00 33.25 H new ATOM 1471 N PRO A 104 -1.481 -22.890 -10.492 1.00 11.33 N ATOM 1472 CA PRO A 104 -2.244 -22.487 -11.677 1.00 75.12 C ATOM 1473 C PRO A 104 -3.186 -23.584 -12.161 1.00 33.23 C ATOM 1474 O PRO A 104 -2.845 -24.766 -12.128 1.00 14.12 O ATOM 1475 CB PRO A 104 -1.159 -22.214 -12.723 1.00 3.03 C ATOM 1476 CG PRO A 104 -0.002 -23.049 -12.293 1.00 61.13 C ATOM 1477 CD PRO A 104 -0.052 -23.085 -10.791 1.00 64.14 C ATOM 0 HA PRO A 104 -2.886 -21.630 -11.475 1.00 75.12 H new ATOM 0 HB2 PRO A 104 -1.495 -22.488 -13.723 1.00 3.03 H new ATOM 0 HB3 PRO A 104 -0.895 -21.157 -12.754 1.00 3.03 H new ATOM 0 HG2 PRO A 104 -0.070 -24.054 -12.710 1.00 61.13 H new ATOM 0 HG3 PRO A 104 0.938 -22.622 -12.642 1.00 61.13 H new ATOM 0 HD2 PRO A 104 0.315 -24.034 -10.399 1.00 64.14 H new ATOM 0 HD3 PRO A 104 0.562 -22.300 -10.350 1.00 64.14 H new ATOM 1482 N GLU A 105 -4.371 -23.184 -12.610 1.00 65.33 N ATOM 1483 CA GLU A 105 -5.362 -24.135 -13.099 1.00 62.15 C ATOM 1484 C GLU A 105 -5.817 -23.769 -14.510 1.00 62.32 C ATOM 1485 O GLU A 105 -6.376 -22.697 -14.735 1.00 21.12 O ATOM 1486 CB GLU A 105 -6.568 -24.181 -12.158 1.00 33.50 C ATOM 1487 CG GLU A 105 -7.619 -25.199 -12.564 1.00 45.55 C ATOM 1488 CD GLU A 105 -7.133 -26.629 -12.419 1.00 64.24 C ATOM 1489 OE1 GLU A 105 -6.346 -27.078 -13.278 1.00 10.40 O ATOM 1490 OE2 GLU A 105 -7.539 -27.298 -11.445 1.00 74.54 O ATOM 0 H GLU A 105 -4.668 -22.209 -12.645 1.00 65.33 H new ATOM 0 HA GLU A 105 -4.897 -25.121 -13.129 1.00 62.15 H new ATOM 0 HB2 GLU A 105 -6.223 -24.410 -11.150 1.00 33.50 H new ATOM 0 HB3 GLU A 105 -7.027 -23.193 -12.121 1.00 33.50 H new ATOM 0 HG2 GLU A 105 -8.511 -25.059 -11.953 1.00 45.55 H new ATOM 0 HG3 GLU A 105 -7.911 -25.021 -13.599 1.00 45.55 H new TER 1495 GLU A 105 ATOM 1496 N ASP B 1 7.628 -11.275 -10.128 1.00 12.04 N ATOM 1497 CA ASP B 1 8.194 -11.472 -8.800 1.00 5.14 C ATOM 1498 C ASP B 1 7.476 -10.607 -7.768 1.00 40.23 C ATOM 1499 O ASP B 1 6.626 -9.788 -8.116 1.00 73.42 O ATOM 1500 CB ASP B 1 9.689 -11.146 -8.803 1.00 73.13 C ATOM 1501 CG ASP B 1 10.424 -11.819 -9.944 1.00 71.05 C ATOM 1502 OD1 ASP B 1 10.635 -13.049 -9.873 1.00 34.34 O ATOM 1503 OD2 ASP B 1 10.789 -11.118 -10.911 1.00 52.20 O ATOM 0 H1 ASP B 1 7.651 -12.173 -10.652 1.00 12.04 H new ATOM 0 H2 ASP B 1 6.644 -10.950 -10.041 1.00 12.04 H new ATOM 0 H3 ASP B 1 8.185 -10.561 -10.640 1.00 12.04 H new ATOM 0 HA ASP B 1 8.059 -12.519 -8.529 1.00 5.14 H new ATOM 0 HB2 ASP B 1 9.823 -10.067 -8.875 1.00 73.13 H new ATOM 0 HB3 ASP B 1 10.128 -11.459 -7.856 1.00 73.13 H new ATOM 1507 N GLU B 2 7.821 -10.798 -6.499 1.00 11.52 N ATOM 1508 CA GLU B 2 7.206 -10.036 -5.418 1.00 3.15 C ATOM 1509 C GLU B 2 7.951 -8.725 -5.185 1.00 40.30 C ATOM 1510 O GLU B 2 9.181 -8.682 -5.217 1.00 14.14 O ATOM 1511 CB GLU B 2 7.189 -10.861 -4.129 1.00 22.40 C ATOM 1512 CG GLU B 2 8.411 -10.647 -3.252 1.00 1.22 C ATOM 1513 CD GLU B 2 9.699 -11.059 -3.937 1.00 72.41 C ATOM 1514 OE1 GLU B 2 9.670 -12.031 -4.721 1.00 71.32 O ATOM 1515 OE2 GLU B 2 10.737 -10.410 -3.690 1.00 30.42 O ATOM 0 H GLU B 2 8.522 -11.473 -6.194 1.00 11.52 H new ATOM 0 HA GLU B 2 6.181 -9.805 -5.707 1.00 3.15 H new ATOM 0 HB2 GLU B 2 6.295 -10.610 -3.559 1.00 22.40 H new ATOM 0 HB3 GLU B 2 7.117 -11.918 -4.385 1.00 22.40 H new ATOM 0 HG2 GLU B 2 8.473 -9.595 -2.972 1.00 1.22 H new ATOM 0 HG3 GLU B 2 8.296 -11.216 -2.330 1.00 1.22 H new ATOM 1520 N PHE B 3 7.196 -7.657 -4.950 1.00 42.04 N ATOM 1521 CA PHE B 3 7.783 -6.342 -4.714 1.00 65.41 C ATOM 1522 C PHE B 3 8.867 -6.417 -3.642 1.00 75.44 C ATOM 1523 O PHE B 3 8.897 -7.370 -2.945 1.00 1.32 O ATOM 1524 CB PHE B 3 6.702 -5.346 -4.292 1.00 51.35 C ATOM 1525 CG PHE B 3 6.708 -4.078 -5.097 1.00 51.21 C ATOM 1526 CD1 PHE B 3 7.687 -3.119 -4.893 1.00 72.45 C ATOM 1527 CD2 PHE B 3 5.737 -3.844 -6.056 1.00 40.34 C ATOM 1528 CE1 PHE B 3 7.697 -1.950 -5.633 1.00 65.24 C ATOM 1529 CE2 PHE B 3 5.742 -2.680 -6.799 1.00 20.32 C ATOM 1530 CZ PHE B 3 6.722 -1.730 -6.586 1.00 52.34 C ATOM 0 H PHE B 3 6.177 -7.676 -4.918 1.00 42.04 H new ATOM 0 HA PHE B 3 8.238 -6.001 -5.644 1.00 65.41 H new ATOM 0 HB2 PHE B 3 5.725 -5.821 -4.385 1.00 51.35 H new ATOM 0 HB3 PHE B 3 6.838 -5.099 -3.239 1.00 51.35 H new ATOM 0 HD1 PHE B 3 8.451 -3.286 -4.148 1.00 72.45 H new ATOM 0 HD2 PHE B 3 4.966 -4.581 -6.225 1.00 40.34 H new ATOM 0 HE1 PHE B 3 8.466 -1.211 -5.466 1.00 65.24 H new ATOM 0 HE2 PHE B 3 4.980 -2.513 -7.546 1.00 20.32 H new ATOM 0 HZ PHE B 3 6.726 -0.817 -7.163 1.00 52.34 H new HETATM 1539 N MCL B 4 9.653 -5.447 -3.588 1.00 33.35 N HETATM 1540 CA MCL B 4 10.746 -5.369 -2.623 1.00 61.00 C HETATM 1541 CB MCL B 4 11.151 -3.897 -2.400 1.00 61.21 C HETATM 1542 CG MCL B 4 12.153 -3.803 -1.232 1.00 70.12 C HETATM 1543 CD MCL B 4 13.074 -2.580 -1.434 1.00 32.13 C HETATM 1544 CE MCL B 4 12.224 -1.292 -1.449 1.00 2.13 C HETATM 1545 NZ MCL B 4 12.337 -0.638 -2.761 1.00 25.14 N HETATM 1546 CX1 MCL B 4 13.070 0.683 -2.606 1.00 73.13 C HETATM 1547 C1 MCL B 4 14.574 0.415 -2.404 1.00 20.42 C HETATM 1548 CX2 MCL B 4 12.590 1.718 -1.573 1.00 24.12 C HETATM 1549 O1 MCL B 4 12.567 3.080 -2.200 1.00 45.21 O HETATM 1550 O2 MCL B 4 11.210 1.357 -1.110 1.00 24.54 O HETATM 1551 C MCL B 4 10.262 -5.954 -1.343 1.00 12.31 C HETATM 1552 O MCL B 4 9.311 -5.461 -0.738 1.00 41.32 O HETATM 0 HZ MCL B 4 11.979 -1.013 -3.639 1.00 25.14 H new HETATM 0 HX1 MCL B 4 12.827 1.181 -3.545 1.00 73.13 H new HETATM 0 HO1 MCL B 4 11.641 3.337 -2.391 1.00 45.21 H new HETATM 0 HG3 MCL B 4 11.617 -3.715 -0.287 1.00 70.12 H new HETATM 0 HG2 MCL B 4 12.749 -4.714 -1.177 1.00 70.12 H new HETATM 0 HE3 MCL B 4 11.181 -1.531 -1.240 1.00 2.13 H new HETATM 0 HE2 MCL B 4 12.560 -0.614 -0.664 1.00 2.13 H new HETATM 0 HD3 MCL B 4 13.813 -2.532 -0.634 1.00 32.13 H new HETATM 0 HD2 MCL B 4 13.624 -2.676 -2.370 1.00 32.13 H new HETATM 0 HB3 MCL B 4 11.597 -3.491 -3.308 1.00 61.21 H new HETATM 0 HB2 MCL B 4 10.268 -3.296 -2.183 1.00 61.21 H new HETATM 0 HA MCL B 4 11.616 -5.913 -2.991 1.00 61.00 H new HETATM 0 H13 MCL B 4 14.719 -0.188 -1.508 1.00 20.42 H new HETATM 0 H12 MCL B 4 14.968 -0.119 -3.269 1.00 20.42 H new HETATM 0 H11 MCL B 4 15.101 1.363 -2.293 1.00 20.42 H new HETATM 0 H MCL B 4 9.277 -4.594 -4.002 1.00 33.35 H new ATOM 1568 N ALA B 5 10.919 -7.025 -0.911 1.00 64.41 N ATOM 1569 CA ALA B 5 10.551 -7.698 0.329 1.00 74.43 C ATOM 1570 C ALA B 5 11.484 -8.869 0.617 1.00 35.40 C ATOM 1571 O ALA B 5 12.409 -8.754 1.420 1.00 11.43 O ATOM 1572 CB ALA B 5 9.107 -8.174 0.262 1.00 1.01 C ATOM 0 H ALA B 5 11.709 -7.445 -1.401 1.00 64.41 H new ATOM 0 HA ALA B 5 10.649 -6.982 1.145 1.00 74.43 H new ATOM 0 HB1 ALA B 5 8.845 -8.675 1.194 1.00 1.01 H new ATOM 0 HB2 ALA B 5 8.448 -7.318 0.112 1.00 1.01 H new ATOM 0 HB3 ALA B 5 8.992 -8.870 -0.569 1.00 1.01 H new ATOM 1578 N ASP B 6 11.234 -9.994 -0.043 1.00 63.04 N ATOM 1579 CA ASP B 6 12.052 -11.187 0.141 1.00 10.21 C ATOM 1580 C ASP B 6 12.264 -11.476 1.624 1.00 43.55 C ATOM 1581 O ASP B 6 13.379 -11.367 2.133 1.00 74.23 O ATOM 1582 CB ASP B 6 13.402 -11.018 -0.556 1.00 52.22 C ATOM 1583 CG ASP B 6 14.123 -12.336 -0.751 1.00 1.31 C ATOM 1584 OD1 ASP B 6 13.727 -13.330 -0.106 1.00 71.03 O ATOM 1585 OD2 ASP B 6 15.083 -12.377 -1.549 1.00 42.21 O ATOM 0 H ASP B 6 10.471 -10.105 -0.711 1.00 63.04 H new ATOM 0 HA ASP B 6 11.525 -12.031 -0.304 1.00 10.21 H new ATOM 0 HB2 ASP B 6 13.250 -10.544 -1.526 1.00 52.22 H new ATOM 0 HB3 ASP B 6 14.029 -10.348 0.032 1.00 52.22 H new ATOM 1589 N GLU B 7 11.186 -11.845 2.310 1.00 61.22 N ATOM 1590 CA GLU B 7 11.255 -12.148 3.734 1.00 3.44 C ATOM 1591 C GLU B 7 10.213 -13.194 4.119 1.00 42.33 C ATOM 1592 O GLU B 7 9.628 -13.848 3.256 1.00 3.44 O ATOM 1593 CB GLU B 7 11.047 -10.876 4.559 1.00 42.40 C ATOM 1594 CG GLU B 7 12.230 -9.925 4.520 1.00 22.04 C ATOM 1595 CD GLU B 7 13.447 -10.477 5.238 1.00 64.35 C ATOM 1596 OE1 GLU B 7 13.267 -11.209 6.233 1.00 42.32 O ATOM 1597 OE2 GLU B 7 14.579 -10.176 4.804 1.00 43.02 O ATOM 0 H GLU B 7 10.256 -11.941 1.902 1.00 61.22 H new ATOM 0 HA GLU B 7 12.245 -12.552 3.946 1.00 3.44 H new ATOM 0 HB2 GLU B 7 10.162 -10.356 4.193 1.00 42.40 H new ATOM 0 HB3 GLU B 7 10.848 -11.153 5.594 1.00 42.40 H new ATOM 0 HG2 GLU B 7 12.489 -9.716 3.482 1.00 22.04 H new ATOM 0 HG3 GLU B 7 11.944 -8.976 4.974 1.00 22.04 H new TER 1602 GLU B 7