USER MOD reduce.3.24.130724 H: found=0, std=0, add=763, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 761 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 83 SER OG : rot 30:sc= 1.24 USER MOD Set 1.2: A 88 THR OG1 : rot 180:sc= -0.833 USER MOD Set 2.1: A 36 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 65 TYR OH : rot 180:sc= 0 USER MOD Set 3.1: A 42 MET CE :methyl 164:sc= 0 (180deg=0) USER MOD Set 3.2: A 49 THR OG1 : rot 140:sc= 0 USER MOD Set 4.1: A 18 MET CE :methyl -110:sc= -0.164 (180deg=-0.772) USER MOD Set 4.2: A 26 CYS SG : rot -160:sc= -1.22 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= -0.0979 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc=0.000401 USER MOD Single : A 8 HIS : no HD1:sc= -0.649 X(o=-0.65,f=-0.4) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 144:sc= -0.326 (180deg=-1.77!) USER MOD Single : A 16 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0543) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 13:sc= 0.948 USER MOD Single : A 27 SER OG : rot -7:sc= 0.314! USER MOD Single : A 30 CYS SG : rot 18:sc= 0.0143 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 34 HIS : no HD1:sc= -0.0757 X(o=-0.076,f=0) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 44 THR OG1 : rot 31:sc= 0.792 USER MOD Single : A 48 LYS NZ :NH3+ -159:sc= -0.346 (180deg=-1.08) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 57 GLN : amide:sc= -0.0244 X(o=-0.024,f=-0.14) USER MOD Single : A 59 THR OG1 : rot 180:sc= -0.814 USER MOD Single : A 61 GLN : amide:sc= -0.0259 X(o=-0.026,f=-0.0077) USER MOD Single : A 64 LYS NZ :NH3+ 158:sc= 0 (180deg=-0.468) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot 180:sc= -0.126 USER MOD Single : A 90 LYS NZ :NH3+ 145:sc= 0.0782 (180deg=-0.0124) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 102 SER OG : rot 180:sc= -0.203 USER MOD Single : A 103 SER OG : rot 180:sc= 0.00189 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 8.030 32.492 -18.866 1.00 0.00 N ATOM 2 CA GLY A 1 7.825 31.427 -17.902 1.00 0.00 C ATOM 3 C GLY A 1 6.425 31.433 -17.321 1.00 0.00 C ATOM 4 O GLY A 1 5.453 31.154 -18.022 1.00 0.00 O ATOM 0 H1 GLY A 1 9.002 32.445 -19.234 1.00 0.00 H new ATOM 0 H2 GLY A 1 7.357 32.384 -19.651 1.00 0.00 H new ATOM 0 H3 GLY A 1 7.879 33.412 -18.405 1.00 0.00 H new ATOM 0 HA2 GLY A 1 8.012 30.466 -18.381 1.00 0.00 H new ATOM 0 HA3 GLY A 1 8.551 31.527 -17.095 1.00 0.00 H new ATOM 8 N SER A 2 6.322 31.750 -16.034 1.00 0.00 N ATOM 9 CA SER A 2 5.032 31.785 -15.356 1.00 0.00 C ATOM 10 C SER A 2 4.837 33.111 -14.627 1.00 0.00 C ATOM 11 O SER A 2 5.796 33.842 -14.378 1.00 0.00 O ATOM 12 CB SER A 2 4.919 30.624 -14.366 1.00 0.00 C ATOM 13 OG SER A 2 3.673 30.647 -13.692 1.00 0.00 O ATOM 0 H SER A 2 7.117 31.986 -15.440 1.00 0.00 H new ATOM 0 HA SER A 2 4.251 31.686 -16.110 1.00 0.00 H new ATOM 0 HB2 SER A 2 5.032 29.678 -14.896 1.00 0.00 H new ATOM 0 HB3 SER A 2 5.730 30.681 -13.640 1.00 0.00 H new ATOM 0 HG SER A 2 3.625 29.894 -13.067 1.00 0.00 H new ATOM 19 N SER A 3 3.589 33.414 -14.286 1.00 0.00 N ATOM 20 CA SER A 3 3.267 34.653 -13.588 1.00 0.00 C ATOM 21 C SER A 3 2.665 34.363 -12.216 1.00 0.00 C ATOM 22 O SER A 3 3.086 34.931 -11.209 1.00 0.00 O ATOM 23 CB SER A 3 2.292 35.492 -14.417 1.00 0.00 C ATOM 24 OG SER A 3 2.288 36.842 -13.988 1.00 0.00 O ATOM 0 H SER A 3 2.784 32.819 -14.482 1.00 0.00 H new ATOM 0 HA SER A 3 4.192 35.213 -13.450 1.00 0.00 H new ATOM 0 HB2 SER A 3 2.569 35.443 -15.470 1.00 0.00 H new ATOM 0 HB3 SER A 3 1.288 35.077 -14.332 1.00 0.00 H new ATOM 0 HG SER A 3 1.658 37.357 -14.535 1.00 0.00 H new ATOM 30 N GLY A 4 1.677 33.474 -12.186 1.00 0.00 N ATOM 31 CA GLY A 4 1.033 33.123 -10.933 1.00 0.00 C ATOM 32 C GLY A 4 1.723 31.973 -10.228 1.00 0.00 C ATOM 33 O GLY A 4 1.553 30.813 -10.604 1.00 0.00 O ATOM 0 H GLY A 4 1.311 32.991 -13.006 1.00 0.00 H new ATOM 0 HA2 GLY A 4 1.023 33.993 -10.277 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -0.006 32.856 -11.125 1.00 0.00 H new ATOM 37 N SER A 5 2.507 32.294 -9.204 1.00 0.00 N ATOM 38 CA SER A 5 3.231 31.279 -8.447 1.00 0.00 C ATOM 39 C SER A 5 2.276 30.461 -7.584 1.00 0.00 C ATOM 40 O SER A 5 1.527 31.010 -6.776 1.00 0.00 O ATOM 41 CB SER A 5 4.299 31.932 -7.568 1.00 0.00 C ATOM 42 OG SER A 5 5.167 30.960 -7.012 1.00 0.00 O ATOM 0 H SER A 5 2.657 33.249 -8.879 1.00 0.00 H new ATOM 0 HA SER A 5 3.716 30.609 -9.157 1.00 0.00 H new ATOM 0 HB2 SER A 5 4.876 32.643 -8.159 1.00 0.00 H new ATOM 0 HB3 SER A 5 3.820 32.497 -6.768 1.00 0.00 H new ATOM 0 HG SER A 5 5.841 31.403 -6.456 1.00 0.00 H new ATOM 48 N SER A 6 2.308 29.144 -7.762 1.00 0.00 N ATOM 49 CA SER A 6 1.443 28.249 -7.002 1.00 0.00 C ATOM 50 C SER A 6 2.155 27.733 -5.756 1.00 0.00 C ATOM 51 O SER A 6 3.381 27.778 -5.664 1.00 0.00 O ATOM 52 CB SER A 6 1.000 27.072 -7.874 1.00 0.00 C ATOM 53 OG SER A 6 2.114 26.436 -8.476 1.00 0.00 O ATOM 0 H SER A 6 2.923 28.673 -8.426 1.00 0.00 H new ATOM 0 HA SER A 6 0.564 28.812 -6.689 1.00 0.00 H new ATOM 0 HB2 SER A 6 0.450 26.352 -7.267 1.00 0.00 H new ATOM 0 HB3 SER A 6 0.317 27.425 -8.647 1.00 0.00 H new ATOM 0 HG SER A 6 1.805 25.686 -9.026 1.00 0.00 H new ATOM 59 N GLY A 7 1.376 27.242 -4.797 1.00 0.00 N ATOM 60 CA GLY A 7 1.948 26.724 -3.568 1.00 0.00 C ATOM 61 C GLY A 7 1.271 25.450 -3.104 1.00 0.00 C ATOM 62 O GLY A 7 0.807 25.363 -1.967 1.00 0.00 O ATOM 0 H GLY A 7 0.358 27.194 -4.849 1.00 0.00 H new ATOM 0 HA2 GLY A 7 3.011 26.533 -3.718 1.00 0.00 H new ATOM 0 HA3 GLY A 7 1.867 27.480 -2.787 1.00 0.00 H new ATOM 66 N HIS A 8 1.211 24.458 -3.988 1.00 0.00 N ATOM 67 CA HIS A 8 0.584 23.182 -3.663 1.00 0.00 C ATOM 68 C HIS A 8 1.347 22.024 -4.299 1.00 0.00 C ATOM 69 O HIS A 8 1.607 22.026 -5.503 1.00 0.00 O ATOM 70 CB HIS A 8 -0.871 23.170 -4.134 1.00 0.00 C ATOM 71 CG HIS A 8 -1.018 23.039 -5.619 1.00 0.00 C ATOM 72 ND1 HIS A 8 -1.051 24.123 -6.470 1.00 0.00 N ATOM 73 CD2 HIS A 8 -1.141 21.943 -6.403 1.00 0.00 C ATOM 74 CE1 HIS A 8 -1.189 23.699 -7.714 1.00 0.00 C ATOM 75 NE2 HIS A 8 -1.245 22.380 -7.700 1.00 0.00 N ATOM 0 H HIS A 8 1.589 24.514 -4.934 1.00 0.00 H new ATOM 0 HA HIS A 8 0.608 23.059 -2.580 1.00 0.00 H new ATOM 0 HB2 HIS A 8 -1.394 22.345 -3.651 1.00 0.00 H new ATOM 0 HB3 HIS A 8 -1.357 24.090 -3.809 1.00 0.00 H new ATOM 0 HD2 HIS A 8 -1.155 20.916 -6.070 1.00 0.00 H new ATOM 0 HE1 HIS A 8 -1.246 24.325 -8.592 1.00 0.00 H new ATOM 0 HE2 HIS A 8 -1.349 21.783 -8.520 1.00 0.00 H new ATOM 84 N VAL A 9 1.703 21.037 -3.484 1.00 0.00 N ATOM 85 CA VAL A 9 2.436 19.873 -3.967 1.00 0.00 C ATOM 86 C VAL A 9 1.485 18.739 -4.333 1.00 0.00 C ATOM 87 O VAL A 9 0.465 18.534 -3.678 1.00 0.00 O ATOM 88 CB VAL A 9 3.441 19.366 -2.916 1.00 0.00 C ATOM 89 CG1 VAL A 9 2.751 19.149 -1.578 1.00 0.00 C ATOM 90 CG2 VAL A 9 4.112 18.087 -3.393 1.00 0.00 C ATOM 0 H VAL A 9 1.496 21.020 -2.485 1.00 0.00 H new ATOM 0 HA VAL A 9 2.981 20.189 -4.857 1.00 0.00 H new ATOM 0 HB VAL A 9 4.212 20.125 -2.781 1.00 0.00 H new ATOM 0 HG11 VAL A 9 3.477 18.791 -0.848 1.00 0.00 H new ATOM 0 HG12 VAL A 9 2.323 20.090 -1.232 1.00 0.00 H new ATOM 0 HG13 VAL A 9 1.958 18.410 -1.693 1.00 0.00 H new ATOM 0 HG21 VAL A 9 4.819 17.743 -2.638 1.00 0.00 H new ATOM 0 HG22 VAL A 9 3.356 17.319 -3.558 1.00 0.00 H new ATOM 0 HG23 VAL A 9 4.643 18.280 -4.325 1.00 0.00 H new ATOM 100 N GLY A 10 1.829 18.003 -5.387 1.00 0.00 N ATOM 101 CA GLY A 10 0.996 16.897 -5.822 1.00 0.00 C ATOM 102 C GLY A 10 1.772 15.601 -5.949 1.00 0.00 C ATOM 103 O GLY A 10 2.993 15.584 -5.792 1.00 0.00 O ATOM 0 H GLY A 10 2.669 18.153 -5.946 1.00 0.00 H new ATOM 0 HA2 GLY A 10 0.180 16.760 -5.113 1.00 0.00 H new ATOM 0 HA3 GLY A 10 0.545 17.142 -6.783 1.00 0.00 H new ATOM 107 N ILE A 11 1.063 14.514 -6.233 1.00 0.00 N ATOM 108 CA ILE A 11 1.693 13.208 -6.380 1.00 0.00 C ATOM 109 C ILE A 11 2.256 13.025 -7.785 1.00 0.00 C ATOM 110 O ILE A 11 1.540 13.165 -8.777 1.00 0.00 O ATOM 111 CB ILE A 11 0.702 12.068 -6.083 1.00 0.00 C ATOM 112 CG1 ILE A 11 0.158 12.194 -4.659 1.00 0.00 C ATOM 113 CG2 ILE A 11 1.373 10.717 -6.282 1.00 0.00 C ATOM 114 CD1 ILE A 11 -1.145 11.455 -4.442 1.00 0.00 C ATOM 0 H ILE A 11 0.052 14.512 -6.366 1.00 0.00 H new ATOM 0 HA ILE A 11 2.507 13.167 -5.657 1.00 0.00 H new ATOM 0 HB ILE A 11 -0.134 12.143 -6.779 1.00 0.00 H new ATOM 0 HG12 ILE A 11 0.903 11.814 -3.959 1.00 0.00 H new ATOM 0 HG13 ILE A 11 0.011 13.249 -4.427 1.00 0.00 H new ATOM 0 HG21 ILE A 11 0.659 9.921 -6.068 1.00 0.00 H new ATOM 0 HG22 ILE A 11 1.716 10.629 -7.313 1.00 0.00 H new ATOM 0 HG23 ILE A 11 2.225 10.631 -5.608 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -1.471 11.588 -3.411 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -1.904 11.850 -5.117 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -0.999 10.394 -4.642 1.00 0.00 H new ATOM 126 N THR A 12 3.545 12.708 -7.864 1.00 0.00 N ATOM 127 CA THR A 12 4.205 12.504 -9.147 1.00 0.00 C ATOM 128 C THR A 12 4.297 11.021 -9.488 1.00 0.00 C ATOM 129 O THR A 12 4.284 10.641 -10.659 1.00 0.00 O ATOM 130 CB THR A 12 5.621 13.110 -9.153 1.00 0.00 C ATOM 131 OG1 THR A 12 6.422 12.473 -10.155 1.00 0.00 O ATOM 132 CG2 THR A 12 6.283 12.953 -7.793 1.00 0.00 C ATOM 0 H THR A 12 4.152 12.587 -7.054 1.00 0.00 H new ATOM 0 HA THR A 12 3.599 13.010 -9.899 1.00 0.00 H new ATOM 0 HB THR A 12 5.536 14.173 -9.377 1.00 0.00 H new ATOM 0 HG1 THR A 12 7.320 12.865 -10.154 1.00 0.00 H new ATOM 0 HG21 THR A 12 7.282 13.388 -7.822 1.00 0.00 H new ATOM 0 HG22 THR A 12 5.686 13.463 -7.037 1.00 0.00 H new ATOM 0 HG23 THR A 12 6.356 11.894 -7.544 1.00 0.00 H new ATOM 140 N LYS A 13 4.391 10.187 -8.459 1.00 0.00 N ATOM 141 CA LYS A 13 4.483 8.744 -8.649 1.00 0.00 C ATOM 142 C LYS A 13 3.270 8.038 -8.053 1.00 0.00 C ATOM 143 O LYS A 13 3.350 7.448 -6.975 1.00 0.00 O ATOM 144 CB LYS A 13 5.765 8.206 -8.008 1.00 0.00 C ATOM 145 CG LYS A 13 6.324 6.978 -8.705 1.00 0.00 C ATOM 146 CD LYS A 13 7.688 6.596 -8.154 1.00 0.00 C ATOM 147 CE LYS A 13 8.804 7.362 -8.848 1.00 0.00 C ATOM 148 NZ LYS A 13 9.028 8.698 -8.229 1.00 0.00 N ATOM 0 H LYS A 13 4.406 10.485 -7.484 1.00 0.00 H new ATOM 0 HA LYS A 13 4.507 8.544 -9.720 1.00 0.00 H new ATOM 0 HB2 LYS A 13 6.521 8.991 -8.012 1.00 0.00 H new ATOM 0 HB3 LYS A 13 5.565 7.962 -6.965 1.00 0.00 H new ATOM 0 HG2 LYS A 13 5.634 6.143 -8.582 1.00 0.00 H new ATOM 0 HG3 LYS A 13 6.404 7.171 -9.775 1.00 0.00 H new ATOM 0 HD2 LYS A 13 7.718 6.797 -7.083 1.00 0.00 H new ATOM 0 HD3 LYS A 13 7.846 5.525 -8.282 1.00 0.00 H new ATOM 0 HE2 LYS A 13 9.726 6.782 -8.803 1.00 0.00 H new ATOM 0 HE3 LYS A 13 8.558 7.487 -9.902 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 10.043 8.922 -8.245 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 8.505 9.421 -8.764 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 8.692 8.685 -7.245 1.00 0.00 H new ATOM 162 N ARG A 14 2.147 8.101 -8.762 1.00 0.00 N ATOM 163 CA ARG A 14 0.917 7.467 -8.302 1.00 0.00 C ATOM 164 C ARG A 14 1.151 5.993 -7.982 1.00 0.00 C ATOM 165 O ARG A 14 2.089 5.378 -8.492 1.00 0.00 O ATOM 166 CB ARG A 14 -0.178 7.602 -9.363 1.00 0.00 C ATOM 167 CG ARG A 14 0.204 7.011 -10.710 1.00 0.00 C ATOM 168 CD ARG A 14 -0.689 7.539 -11.822 1.00 0.00 C ATOM 169 NE ARG A 14 -0.165 8.770 -12.408 1.00 0.00 N ATOM 170 CZ ARG A 14 0.920 8.816 -13.173 1.00 0.00 C ATOM 171 NH1 ARG A 14 1.592 7.706 -13.444 1.00 0.00 N ATOM 172 NH2 ARG A 14 1.335 9.975 -13.669 1.00 0.00 N ATOM 0 H ARG A 14 2.064 8.584 -9.656 1.00 0.00 H new ATOM 0 HA ARG A 14 0.596 7.972 -7.391 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -1.083 7.112 -9.004 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -0.418 8.657 -9.493 1.00 0.00 H new ATOM 0 HG2 ARG A 14 1.244 7.250 -10.932 1.00 0.00 H new ATOM 0 HG3 ARG A 14 0.129 5.924 -10.666 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -0.787 6.781 -12.599 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -1.689 7.722 -11.428 1.00 0.00 H new ATOM 0 HE ARG A 14 -0.659 9.642 -12.219 1.00 0.00 H new ATOM 0 HH11 ARG A 14 1.276 6.813 -13.065 1.00 0.00 H new ATOM 0 HH12 ARG A 14 2.425 7.745 -14.032 1.00 0.00 H new ATOM 0 HH21 ARG A 14 0.821 10.831 -13.463 1.00 0.00 H new ATOM 0 HH22 ARG A 14 2.168 10.009 -14.256 1.00 0.00 H new ATOM 186 N LEU A 15 0.294 5.434 -7.136 1.00 0.00 N ATOM 187 CA LEU A 15 0.408 4.032 -6.747 1.00 0.00 C ATOM 188 C LEU A 15 0.362 3.122 -7.970 1.00 0.00 C ATOM 189 O LEU A 15 -0.166 3.497 -9.017 1.00 0.00 O ATOM 190 CB LEU A 15 -0.715 3.660 -5.777 1.00 0.00 C ATOM 191 CG LEU A 15 -0.545 4.142 -4.336 1.00 0.00 C ATOM 192 CD1 LEU A 15 -1.771 3.792 -3.507 1.00 0.00 C ATOM 193 CD2 LEU A 15 0.709 3.541 -3.717 1.00 0.00 C ATOM 0 H LEU A 15 -0.487 5.929 -6.706 1.00 0.00 H new ATOM 0 HA LEU A 15 1.369 3.894 -6.251 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -1.651 4.062 -6.165 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -0.814 2.575 -5.766 1.00 0.00 H new ATOM 0 HG LEU A 15 -0.437 5.227 -4.347 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -1.631 4.143 -2.485 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -2.650 4.271 -3.938 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -1.911 2.711 -3.503 1.00 0.00 H new ATOM 0 HD21 LEU A 15 0.814 3.895 -2.691 1.00 0.00 H new ATOM 0 HD22 LEU A 15 0.631 2.454 -3.719 1.00 0.00 H new ATOM 0 HD23 LEU A 15 1.581 3.843 -4.296 1.00 0.00 H new ATOM 205 N LYS A 16 0.916 1.923 -7.830 1.00 0.00 N ATOM 206 CA LYS A 16 0.936 0.957 -8.921 1.00 0.00 C ATOM 207 C LYS A 16 0.286 -0.357 -8.497 1.00 0.00 C ATOM 208 O LYS A 16 0.457 -0.809 -7.364 1.00 0.00 O ATOM 209 CB LYS A 16 2.374 0.702 -9.379 1.00 0.00 C ATOM 210 CG LYS A 16 2.490 -0.359 -10.460 1.00 0.00 C ATOM 211 CD LYS A 16 3.874 -0.368 -11.086 1.00 0.00 C ATOM 212 CE LYS A 16 3.948 -1.331 -12.260 1.00 0.00 C ATOM 213 NZ LYS A 16 3.745 -2.743 -11.833 1.00 0.00 N ATOM 0 H LYS A 16 1.358 1.597 -6.970 1.00 0.00 H new ATOM 0 HA LYS A 16 0.365 1.373 -9.751 1.00 0.00 H new ATOM 0 HB2 LYS A 16 2.799 1.635 -9.750 1.00 0.00 H new ATOM 0 HB3 LYS A 16 2.972 0.399 -8.519 1.00 0.00 H new ATOM 0 HG2 LYS A 16 2.276 -1.339 -10.034 1.00 0.00 H new ATOM 0 HG3 LYS A 16 1.742 -0.177 -11.232 1.00 0.00 H new ATOM 0 HD2 LYS A 16 4.129 0.637 -11.422 1.00 0.00 H new ATOM 0 HD3 LYS A 16 4.612 -0.650 -10.335 1.00 0.00 H new ATOM 0 HE2 LYS A 16 3.192 -1.063 -12.998 1.00 0.00 H new ATOM 0 HE3 LYS A 16 4.918 -1.235 -12.748 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 3.903 -3.377 -12.642 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 4.417 -2.976 -11.074 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 2.773 -2.864 -11.484 1.00 0.00 H new ATOM 227 N THR A 17 -0.460 -0.966 -9.414 1.00 0.00 N ATOM 228 CA THR A 17 -1.134 -2.227 -9.134 1.00 0.00 C ATOM 229 C THR A 17 -0.139 -3.302 -8.711 1.00 0.00 C ATOM 230 O THR A 17 0.925 -3.447 -9.312 1.00 0.00 O ATOM 231 CB THR A 17 -1.921 -2.727 -10.361 1.00 0.00 C ATOM 232 OG1 THR A 17 -2.913 -1.764 -10.732 1.00 0.00 O ATOM 233 CG2 THR A 17 -2.588 -4.063 -10.069 1.00 0.00 C ATOM 0 H THR A 17 -0.612 -0.606 -10.356 1.00 0.00 H new ATOM 0 HA THR A 17 -1.829 -2.038 -8.316 1.00 0.00 H new ATOM 0 HB THR A 17 -1.220 -2.862 -11.185 1.00 0.00 H new ATOM 0 HG1 THR A 17 -3.408 -2.088 -11.513 1.00 0.00 H new ATOM 0 HG21 THR A 17 -3.137 -4.396 -10.950 1.00 0.00 H new ATOM 0 HG22 THR A 17 -1.828 -4.802 -9.815 1.00 0.00 H new ATOM 0 HG23 THR A 17 -3.278 -3.950 -9.232 1.00 0.00 H new ATOM 241 N MET A 18 -0.492 -4.053 -7.673 1.00 0.00 N ATOM 242 CA MET A 18 0.371 -5.116 -7.171 1.00 0.00 C ATOM 243 C MET A 18 -0.294 -6.479 -7.337 1.00 0.00 C ATOM 244 O MET A 18 -1.519 -6.590 -7.306 1.00 0.00 O ATOM 245 CB MET A 18 0.709 -4.875 -5.699 1.00 0.00 C ATOM 246 CG MET A 18 1.608 -5.944 -5.099 1.00 0.00 C ATOM 247 SD MET A 18 3.152 -6.144 -6.009 1.00 0.00 S ATOM 248 CE MET A 18 4.281 -5.227 -4.964 1.00 0.00 C ATOM 0 H MET A 18 -1.369 -3.945 -7.163 1.00 0.00 H new ATOM 0 HA MET A 18 1.293 -5.108 -7.753 1.00 0.00 H new ATOM 0 HB2 MET A 18 1.196 -3.905 -5.601 1.00 0.00 H new ATOM 0 HB3 MET A 18 -0.217 -4.826 -5.125 1.00 0.00 H new ATOM 0 HG2 MET A 18 1.832 -5.686 -4.064 1.00 0.00 H new ATOM 0 HG3 MET A 18 1.075 -6.894 -5.083 1.00 0.00 H new ATOM 0 HE1 MET A 18 4.584 -4.311 -5.471 1.00 0.00 H new ATOM 0 HE2 MET A 18 3.786 -4.976 -4.026 1.00 0.00 H new ATOM 0 HE3 MET A 18 5.162 -5.835 -4.758 1.00 0.00 H new ATOM 258 N GLU A 19 0.523 -7.514 -7.512 1.00 0.00 N ATOM 259 CA GLU A 19 0.013 -8.869 -7.683 1.00 0.00 C ATOM 260 C GLU A 19 0.885 -9.877 -6.940 1.00 0.00 C ATOM 261 O GLU A 19 2.009 -10.164 -7.352 1.00 0.00 O ATOM 262 CB GLU A 19 -0.051 -9.230 -9.168 1.00 0.00 C ATOM 263 CG GLU A 19 -0.896 -10.458 -9.460 1.00 0.00 C ATOM 264 CD GLU A 19 -1.277 -10.570 -10.924 1.00 0.00 C ATOM 265 OE1 GLU A 19 -1.162 -9.557 -11.645 1.00 0.00 O ATOM 266 OE2 GLU A 19 -1.691 -11.669 -11.347 1.00 0.00 O ATOM 0 H GLU A 19 1.540 -7.439 -7.539 1.00 0.00 H new ATOM 0 HA GLU A 19 -0.992 -8.907 -7.264 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -0.454 -8.382 -9.722 1.00 0.00 H new ATOM 0 HB3 GLU A 19 0.961 -9.400 -9.536 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -0.347 -11.351 -9.162 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -1.802 -10.424 -8.854 1.00 0.00 H new ATOM 273 N VAL A 20 0.359 -10.410 -5.842 1.00 0.00 N ATOM 274 CA VAL A 20 1.089 -11.386 -5.041 1.00 0.00 C ATOM 275 C VAL A 20 0.263 -12.650 -4.829 1.00 0.00 C ATOM 276 O VAL A 20 -0.922 -12.694 -5.164 1.00 0.00 O ATOM 277 CB VAL A 20 1.481 -10.806 -3.669 1.00 0.00 C ATOM 278 CG1 VAL A 20 2.015 -9.390 -3.821 1.00 0.00 C ATOM 279 CG2 VAL A 20 0.293 -10.837 -2.719 1.00 0.00 C ATOM 0 H VAL A 20 -0.570 -10.183 -5.487 1.00 0.00 H new ATOM 0 HA VAL A 20 1.995 -11.635 -5.594 1.00 0.00 H new ATOM 0 HB VAL A 20 2.273 -11.424 -3.245 1.00 0.00 H new ATOM 0 HG11 VAL A 20 2.287 -8.997 -2.841 1.00 0.00 H new ATOM 0 HG12 VAL A 20 2.894 -9.400 -4.465 1.00 0.00 H new ATOM 0 HG13 VAL A 20 1.247 -8.757 -4.266 1.00 0.00 H new ATOM 0 HG21 VAL A 20 0.588 -10.424 -1.754 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -0.521 -10.243 -3.135 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -0.040 -11.866 -2.586 1.00 0.00 H new ATOM 289 N LEU A 21 0.895 -13.676 -4.270 1.00 0.00 N ATOM 290 CA LEU A 21 0.219 -14.942 -4.012 1.00 0.00 C ATOM 291 C LEU A 21 -0.056 -15.119 -2.522 1.00 0.00 C ATOM 292 O LEU A 21 0.843 -14.976 -1.695 1.00 0.00 O ATOM 293 CB LEU A 21 1.064 -16.109 -4.528 1.00 0.00 C ATOM 294 CG LEU A 21 0.439 -17.498 -4.401 1.00 0.00 C ATOM 295 CD1 LEU A 21 1.030 -18.446 -5.434 1.00 0.00 C ATOM 296 CD2 LEU A 21 0.637 -18.046 -2.996 1.00 0.00 C ATOM 0 H LEU A 21 1.875 -13.656 -3.987 1.00 0.00 H new ATOM 0 HA LEU A 21 -0.734 -14.930 -4.540 1.00 0.00 H new ATOM 0 HB2 LEU A 21 1.292 -15.930 -5.579 1.00 0.00 H new ATOM 0 HB3 LEU A 21 2.013 -16.109 -3.992 1.00 0.00 H new ATOM 0 HG LEU A 21 -0.631 -17.412 -4.588 1.00 0.00 H new ATOM 0 HD11 LEU A 21 0.573 -19.430 -5.328 1.00 0.00 H new ATOM 0 HD12 LEU A 21 0.835 -18.061 -6.435 1.00 0.00 H new ATOM 0 HD13 LEU A 21 2.106 -18.527 -5.280 1.00 0.00 H new ATOM 0 HD21 LEU A 21 0.186 -19.036 -2.924 1.00 0.00 H new ATOM 0 HD22 LEU A 21 1.703 -18.117 -2.780 1.00 0.00 H new ATOM 0 HD23 LEU A 21 0.165 -17.379 -2.275 1.00 0.00 H new ATOM 308 N GLU A 22 -1.305 -15.432 -2.190 1.00 0.00 N ATOM 309 CA GLU A 22 -1.697 -15.630 -0.799 1.00 0.00 C ATOM 310 C GLU A 22 -0.599 -16.348 -0.021 1.00 0.00 C ATOM 311 O GLU A 22 -0.322 -17.523 -0.257 1.00 0.00 O ATOM 312 CB GLU A 22 -2.999 -16.430 -0.722 1.00 0.00 C ATOM 313 CG GLU A 22 -3.463 -16.702 0.699 1.00 0.00 C ATOM 314 CD GLU A 22 -4.689 -17.593 0.752 1.00 0.00 C ATOM 315 OE1 GLU A 22 -4.888 -18.386 -0.192 1.00 0.00 O ATOM 316 OE2 GLU A 22 -5.449 -17.497 1.738 1.00 0.00 O ATOM 0 H GLU A 22 -2.061 -15.554 -2.864 1.00 0.00 H new ATOM 0 HA GLU A 22 -1.854 -14.650 -0.350 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -3.781 -15.887 -1.253 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -2.863 -17.380 -1.239 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -2.653 -17.171 1.258 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -3.685 -15.756 1.192 1.00 0.00 H new ATOM 323 N GLY A 23 0.025 -15.631 0.909 1.00 0.00 N ATOM 324 CA GLY A 23 1.087 -16.215 1.708 1.00 0.00 C ATOM 325 C GLY A 23 2.346 -15.371 1.705 1.00 0.00 C ATOM 326 O GLY A 23 3.081 -15.339 2.692 1.00 0.00 O ATOM 0 H GLY A 23 -0.186 -14.656 1.123 1.00 0.00 H new ATOM 0 HA2 GLY A 23 0.739 -16.340 2.734 1.00 0.00 H new ATOM 0 HA3 GLY A 23 1.319 -17.210 1.327 1.00 0.00 H new ATOM 330 N GLU A 24 2.596 -14.688 0.593 1.00 0.00 N ATOM 331 CA GLU A 24 3.777 -13.843 0.466 1.00 0.00 C ATOM 332 C GLU A 24 3.597 -12.537 1.234 1.00 0.00 C ATOM 333 O GLU A 24 2.589 -12.338 1.913 1.00 0.00 O ATOM 334 CB GLU A 24 4.063 -13.545 -1.008 1.00 0.00 C ATOM 335 CG GLU A 24 4.249 -14.792 -1.856 1.00 0.00 C ATOM 336 CD GLU A 24 4.962 -14.508 -3.163 1.00 0.00 C ATOM 337 OE1 GLU A 24 4.831 -13.377 -3.676 1.00 0.00 O ATOM 338 OE2 GLU A 24 5.651 -15.415 -3.674 1.00 0.00 O ATOM 0 H GLU A 24 1.997 -14.703 -0.232 1.00 0.00 H new ATOM 0 HA GLU A 24 4.624 -14.381 0.892 1.00 0.00 H new ATOM 0 HB2 GLU A 24 3.242 -12.957 -1.417 1.00 0.00 H new ATOM 0 HB3 GLU A 24 4.961 -12.931 -1.078 1.00 0.00 H new ATOM 0 HG2 GLU A 24 4.817 -15.530 -1.290 1.00 0.00 H new ATOM 0 HG3 GLU A 24 3.274 -15.232 -2.066 1.00 0.00 H new ATOM 345 N SER A 25 4.580 -11.650 1.121 1.00 0.00 N ATOM 346 CA SER A 25 4.533 -10.364 1.808 1.00 0.00 C ATOM 347 C SER A 25 5.174 -9.271 0.959 1.00 0.00 C ATOM 348 O SER A 25 6.380 -9.291 0.709 1.00 0.00 O ATOM 349 CB SER A 25 5.243 -10.458 3.160 1.00 0.00 C ATOM 350 OG SER A 25 6.648 -10.537 2.994 1.00 0.00 O ATOM 0 H SER A 25 5.419 -11.798 0.560 1.00 0.00 H new ATOM 0 HA SER A 25 3.487 -10.106 1.972 1.00 0.00 H new ATOM 0 HB2 SER A 25 4.994 -9.587 3.766 1.00 0.00 H new ATOM 0 HB3 SER A 25 4.888 -11.335 3.701 1.00 0.00 H new ATOM 0 HG SER A 25 6.881 -10.312 2.069 1.00 0.00 H new ATOM 356 N CYS A 26 4.360 -8.318 0.519 1.00 0.00 N ATOM 357 CA CYS A 26 4.846 -7.216 -0.303 1.00 0.00 C ATOM 358 C CYS A 26 4.646 -5.880 0.406 1.00 0.00 C ATOM 359 O CYS A 26 4.191 -5.834 1.548 1.00 0.00 O ATOM 360 CB CYS A 26 4.129 -7.204 -1.653 1.00 0.00 C ATOM 361 SG CYS A 26 4.923 -8.220 -2.920 1.00 0.00 S ATOM 0 H CYS A 26 3.360 -8.286 0.718 1.00 0.00 H new ATOM 0 HA CYS A 26 5.913 -7.362 -0.469 1.00 0.00 H new ATOM 0 HB2 CYS A 26 3.106 -7.552 -1.512 1.00 0.00 H new ATOM 0 HB3 CYS A 26 4.069 -6.176 -2.011 1.00 0.00 H new ATOM 0 HG CYS A 26 4.524 -7.837 -4.096 1.00 0.00 H new ATOM 367 N SER A 27 4.990 -4.795 -0.281 1.00 0.00 N ATOM 368 CA SER A 27 4.853 -3.458 0.285 1.00 0.00 C ATOM 369 C SER A 27 4.723 -2.412 -0.819 1.00 0.00 C ATOM 370 O SER A 27 5.556 -2.340 -1.723 1.00 0.00 O ATOM 371 CB SER A 27 6.054 -3.131 1.174 1.00 0.00 C ATOM 372 OG SER A 27 7.149 -2.668 0.402 1.00 0.00 O ATOM 0 H SER A 27 5.365 -4.816 -1.229 1.00 0.00 H new ATOM 0 HA SER A 27 3.947 -3.438 0.890 1.00 0.00 H new ATOM 0 HB2 SER A 27 5.774 -2.372 1.905 1.00 0.00 H new ATOM 0 HB3 SER A 27 6.349 -4.019 1.733 1.00 0.00 H new ATOM 0 HG SER A 27 6.938 -2.756 -0.551 1.00 0.00 H new ATOM 378 N PHE A 28 3.672 -1.603 -0.738 1.00 0.00 N ATOM 379 CA PHE A 28 3.431 -0.561 -1.729 1.00 0.00 C ATOM 380 C PHE A 28 4.426 0.585 -1.567 1.00 0.00 C ATOM 381 O PHE A 28 5.097 0.697 -0.541 1.00 0.00 O ATOM 382 CB PHE A 28 2.001 -0.031 -1.606 1.00 0.00 C ATOM 383 CG PHE A 28 0.972 -0.933 -2.226 1.00 0.00 C ATOM 384 CD1 PHE A 28 0.656 -0.824 -3.570 1.00 0.00 C ATOM 385 CD2 PHE A 28 0.321 -1.889 -1.463 1.00 0.00 C ATOM 386 CE1 PHE A 28 -0.290 -1.652 -4.143 1.00 0.00 C ATOM 387 CE2 PHE A 28 -0.625 -2.721 -2.031 1.00 0.00 C ATOM 388 CZ PHE A 28 -0.933 -2.601 -3.372 1.00 0.00 C ATOM 0 H PHE A 28 2.973 -1.649 0.004 1.00 0.00 H new ATOM 0 HA PHE A 28 3.565 -0.998 -2.718 1.00 0.00 H new ATOM 0 HB2 PHE A 28 1.763 0.108 -0.551 1.00 0.00 H new ATOM 0 HB3 PHE A 28 1.944 0.950 -2.077 1.00 0.00 H new ATOM 0 HD1 PHE A 28 1.155 -0.083 -4.177 1.00 0.00 H new ATOM 0 HD2 PHE A 28 0.555 -1.985 -0.413 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -0.527 -1.557 -5.193 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -1.123 -3.465 -1.427 1.00 0.00 H new ATOM 0 HZ PHE A 28 -1.675 -3.248 -3.817 1.00 0.00 H new ATOM 398 N GLU A 29 4.515 1.432 -2.587 1.00 0.00 N ATOM 399 CA GLU A 29 5.429 2.568 -2.558 1.00 0.00 C ATOM 400 C GLU A 29 4.833 3.765 -3.293 1.00 0.00 C ATOM 401 O GLU A 29 4.461 3.666 -4.463 1.00 0.00 O ATOM 402 CB GLU A 29 6.771 2.188 -3.186 1.00 0.00 C ATOM 403 CG GLU A 29 7.485 1.059 -2.460 1.00 0.00 C ATOM 404 CD GLU A 29 8.810 0.698 -3.103 1.00 0.00 C ATOM 405 OE1 GLU A 29 9.340 1.523 -3.875 1.00 0.00 O ATOM 406 OE2 GLU A 29 9.316 -0.411 -2.832 1.00 0.00 O ATOM 0 H GLU A 29 3.966 1.353 -3.443 1.00 0.00 H new ATOM 0 HA GLU A 29 5.589 2.845 -1.516 1.00 0.00 H new ATOM 0 HB2 GLU A 29 6.607 1.896 -4.223 1.00 0.00 H new ATOM 0 HB3 GLU A 29 7.417 3.066 -3.200 1.00 0.00 H new ATOM 0 HG2 GLU A 29 7.656 1.349 -1.423 1.00 0.00 H new ATOM 0 HG3 GLU A 29 6.842 0.179 -2.443 1.00 0.00 H new ATOM 413 N CYS A 30 4.744 4.894 -2.599 1.00 0.00 N ATOM 414 CA CYS A 30 4.192 6.111 -3.184 1.00 0.00 C ATOM 415 C CYS A 30 5.083 7.312 -2.885 1.00 0.00 C ATOM 416 O CYS A 30 5.457 7.549 -1.736 1.00 0.00 O ATOM 417 CB CYS A 30 2.780 6.362 -2.652 1.00 0.00 C ATOM 418 SG CYS A 30 1.778 7.443 -3.699 1.00 0.00 S ATOM 0 H CYS A 30 5.047 4.992 -1.630 1.00 0.00 H new ATOM 0 HA CYS A 30 4.147 5.977 -4.265 1.00 0.00 H new ATOM 0 HB2 CYS A 30 2.269 5.405 -2.542 1.00 0.00 H new ATOM 0 HB3 CYS A 30 2.851 6.802 -1.657 1.00 0.00 H new ATOM 0 HG CYS A 30 2.304 7.506 -4.886 1.00 0.00 H new ATOM 424 N VAL A 31 5.421 8.066 -3.926 1.00 0.00 N ATOM 425 CA VAL A 31 6.269 9.242 -3.775 1.00 0.00 C ATOM 426 C VAL A 31 5.505 10.517 -4.112 1.00 0.00 C ATOM 427 O VAL A 31 4.479 10.478 -4.793 1.00 0.00 O ATOM 428 CB VAL A 31 7.518 9.153 -4.671 1.00 0.00 C ATOM 429 CG1 VAL A 31 8.458 10.316 -4.395 1.00 0.00 C ATOM 430 CG2 VAL A 31 8.227 7.823 -4.465 1.00 0.00 C ATOM 0 H VAL A 31 5.120 7.883 -4.883 1.00 0.00 H new ATOM 0 HA VAL A 31 6.582 9.274 -2.731 1.00 0.00 H new ATOM 0 HB VAL A 31 7.202 9.213 -5.712 1.00 0.00 H new ATOM 0 HG11 VAL A 31 9.335 10.236 -5.038 1.00 0.00 H new ATOM 0 HG12 VAL A 31 7.944 11.255 -4.598 1.00 0.00 H new ATOM 0 HG13 VAL A 31 8.770 10.292 -3.351 1.00 0.00 H new ATOM 0 HG21 VAL A 31 9.107 7.777 -5.106 1.00 0.00 H new ATOM 0 HG22 VAL A 31 8.532 7.731 -3.423 1.00 0.00 H new ATOM 0 HG23 VAL A 31 7.550 7.007 -4.719 1.00 0.00 H new ATOM 440 N LEU A 32 6.011 11.648 -3.633 1.00 0.00 N ATOM 441 CA LEU A 32 5.377 12.938 -3.884 1.00 0.00 C ATOM 442 C LEU A 32 6.312 13.864 -4.655 1.00 0.00 C ATOM 443 O LEU A 32 7.513 13.610 -4.750 1.00 0.00 O ATOM 444 CB LEU A 32 4.967 13.592 -2.564 1.00 0.00 C ATOM 445 CG LEU A 32 3.848 12.896 -1.788 1.00 0.00 C ATOM 446 CD1 LEU A 32 4.003 13.138 -0.295 1.00 0.00 C ATOM 447 CD2 LEU A 32 2.487 13.375 -2.270 1.00 0.00 C ATOM 0 H LEU A 32 6.859 11.698 -3.068 1.00 0.00 H new ATOM 0 HA LEU A 32 4.487 12.766 -4.489 1.00 0.00 H new ATOM 0 HB2 LEU A 32 5.846 13.649 -1.922 1.00 0.00 H new ATOM 0 HB3 LEU A 32 4.656 14.616 -2.770 1.00 0.00 H new ATOM 0 HG LEU A 32 3.918 11.824 -1.970 1.00 0.00 H new ATOM 0 HD11 LEU A 32 3.198 12.635 0.241 1.00 0.00 H new ATOM 0 HD12 LEU A 32 4.963 12.744 0.040 1.00 0.00 H new ATOM 0 HD13 LEU A 32 3.960 14.208 -0.093 1.00 0.00 H new ATOM 0 HD21 LEU A 32 1.703 12.869 -1.707 1.00 0.00 H new ATOM 0 HD22 LEU A 32 2.406 14.451 -2.119 1.00 0.00 H new ATOM 0 HD23 LEU A 32 2.376 13.148 -3.330 1.00 0.00 H new ATOM 459 N SER A 33 5.754 14.939 -5.202 1.00 0.00 N ATOM 460 CA SER A 33 6.538 15.902 -5.966 1.00 0.00 C ATOM 461 C SER A 33 7.467 16.693 -5.051 1.00 0.00 C ATOM 462 O SER A 33 8.562 17.090 -5.452 1.00 0.00 O ATOM 463 CB SER A 33 5.613 16.858 -6.723 1.00 0.00 C ATOM 464 OG SER A 33 6.341 17.643 -7.651 1.00 0.00 O ATOM 0 H SER A 33 4.762 15.165 -5.130 1.00 0.00 H new ATOM 0 HA SER A 33 7.146 15.351 -6.684 1.00 0.00 H new ATOM 0 HB2 SER A 33 4.846 16.288 -7.247 1.00 0.00 H new ATOM 0 HB3 SER A 33 5.099 17.509 -6.015 1.00 0.00 H new ATOM 0 HG SER A 33 5.728 18.244 -8.123 1.00 0.00 H new ATOM 470 N HIS A 34 7.023 16.920 -3.819 1.00 0.00 N ATOM 471 CA HIS A 34 7.815 17.663 -2.845 1.00 0.00 C ATOM 472 C HIS A 34 7.763 16.991 -1.476 1.00 0.00 C ATOM 473 O HIS A 34 6.775 16.347 -1.129 1.00 0.00 O ATOM 474 CB HIS A 34 7.311 19.103 -2.739 1.00 0.00 C ATOM 475 CG HIS A 34 8.338 20.060 -2.218 1.00 0.00 C ATOM 476 ND1 HIS A 34 8.058 21.025 -1.274 1.00 0.00 N ATOM 477 CD2 HIS A 34 9.652 20.196 -2.514 1.00 0.00 C ATOM 478 CE1 HIS A 34 9.154 21.714 -1.012 1.00 0.00 C ATOM 479 NE2 HIS A 34 10.136 21.231 -1.751 1.00 0.00 N ATOM 0 H HIS A 34 6.119 16.600 -3.471 1.00 0.00 H new ATOM 0 HA HIS A 34 8.850 17.672 -3.186 1.00 0.00 H new ATOM 0 HB2 HIS A 34 6.981 19.437 -3.723 1.00 0.00 H new ATOM 0 HB3 HIS A 34 6.439 19.127 -2.085 1.00 0.00 H new ATOM 0 HD2 HIS A 34 10.215 19.602 -3.219 1.00 0.00 H new ATOM 0 HE1 HIS A 34 9.233 22.533 -0.312 1.00 0.00 H new ATOM 0 HE2 HIS A 34 11.098 21.571 -1.755 1.00 0.00 H new ATOM 488 N GLU A 35 8.835 17.146 -0.705 1.00 0.00 N ATOM 489 CA GLU A 35 8.911 16.553 0.624 1.00 0.00 C ATOM 490 C GLU A 35 7.871 17.169 1.555 1.00 0.00 C ATOM 491 O GLU A 35 8.178 18.071 2.336 1.00 0.00 O ATOM 492 CB GLU A 35 10.312 16.740 1.211 1.00 0.00 C ATOM 493 CG GLU A 35 10.453 16.213 2.629 1.00 0.00 C ATOM 494 CD GLU A 35 11.898 15.971 3.021 1.00 0.00 C ATOM 495 OE1 GLU A 35 12.790 16.594 2.408 1.00 0.00 O ATOM 496 OE2 GLU A 35 12.136 15.160 3.940 1.00 0.00 O ATOM 0 H GLU A 35 9.662 17.677 -0.978 1.00 0.00 H new ATOM 0 HA GLU A 35 8.703 15.487 0.531 1.00 0.00 H new ATOM 0 HB2 GLU A 35 11.035 16.235 0.571 1.00 0.00 H new ATOM 0 HB3 GLU A 35 10.563 17.801 1.200 1.00 0.00 H new ATOM 0 HG2 GLU A 35 10.007 16.925 3.323 1.00 0.00 H new ATOM 0 HG3 GLU A 35 9.894 15.282 2.724 1.00 0.00 H new ATOM 503 N SER A 36 6.640 16.677 1.466 1.00 0.00 N ATOM 504 CA SER A 36 5.553 17.182 2.297 1.00 0.00 C ATOM 505 C SER A 36 6.008 17.350 3.743 1.00 0.00 C ATOM 506 O SER A 36 6.972 16.723 4.179 1.00 0.00 O ATOM 507 CB SER A 36 4.353 16.234 2.235 1.00 0.00 C ATOM 508 OG SER A 36 4.672 14.971 2.792 1.00 0.00 O ATOM 0 H SER A 36 6.370 15.929 0.827 1.00 0.00 H new ATOM 0 HA SER A 36 5.257 18.158 1.912 1.00 0.00 H new ATOM 0 HB2 SER A 36 3.512 16.671 2.774 1.00 0.00 H new ATOM 0 HB3 SER A 36 4.037 16.109 1.199 1.00 0.00 H new ATOM 0 HG SER A 36 3.889 14.384 2.742 1.00 0.00 H new ATOM 514 N ALA A 37 5.305 18.203 4.482 1.00 0.00 N ATOM 515 CA ALA A 37 5.634 18.454 5.880 1.00 0.00 C ATOM 516 C ALA A 37 5.383 17.215 6.734 1.00 0.00 C ATOM 517 O ALA A 37 4.783 16.244 6.274 1.00 0.00 O ATOM 518 CB ALA A 37 4.831 19.633 6.408 1.00 0.00 C ATOM 0 H ALA A 37 4.504 18.732 4.136 1.00 0.00 H new ATOM 0 HA ALA A 37 6.695 18.696 5.940 1.00 0.00 H new ATOM 0 HB1 ALA A 37 5.087 19.809 7.453 1.00 0.00 H new ATOM 0 HB2 ALA A 37 5.063 20.523 5.823 1.00 0.00 H new ATOM 0 HB3 ALA A 37 3.766 19.413 6.327 1.00 0.00 H new ATOM 524 N SER A 38 5.846 17.257 7.979 1.00 0.00 N ATOM 525 CA SER A 38 5.676 16.136 8.896 1.00 0.00 C ATOM 526 C SER A 38 4.207 15.959 9.271 1.00 0.00 C ATOM 527 O SER A 38 3.719 16.573 10.220 1.00 0.00 O ATOM 528 CB SER A 38 6.514 16.350 10.158 1.00 0.00 C ATOM 529 OG SER A 38 7.897 16.224 9.879 1.00 0.00 O ATOM 0 H SER A 38 6.342 18.055 8.376 1.00 0.00 H new ATOM 0 HA SER A 38 6.016 15.231 8.392 1.00 0.00 H new ATOM 0 HB2 SER A 38 6.311 17.339 10.569 1.00 0.00 H new ATOM 0 HB3 SER A 38 6.225 15.623 10.918 1.00 0.00 H new ATOM 0 HG SER A 38 8.411 16.367 10.701 1.00 0.00 H new ATOM 535 N ASP A 39 3.508 15.117 8.518 1.00 0.00 N ATOM 536 CA ASP A 39 2.096 14.858 8.770 1.00 0.00 C ATOM 537 C ASP A 39 1.802 13.361 8.731 1.00 0.00 C ATOM 538 O ASP A 39 2.514 12.581 8.098 1.00 0.00 O ATOM 539 CB ASP A 39 1.230 15.587 7.742 1.00 0.00 C ATOM 540 CG ASP A 39 1.094 17.067 8.044 1.00 0.00 C ATOM 541 OD1 ASP A 39 0.489 17.407 9.082 1.00 0.00 O ATOM 542 OD2 ASP A 39 1.594 17.884 7.243 1.00 0.00 O ATOM 0 H ASP A 39 3.897 14.602 7.728 1.00 0.00 H new ATOM 0 HA ASP A 39 1.856 15.231 9.766 1.00 0.00 H new ATOM 0 HB2 ASP A 39 1.664 15.460 6.750 1.00 0.00 H new ATOM 0 HB3 ASP A 39 0.240 15.132 7.717 1.00 0.00 H new ATOM 547 N PRO A 40 0.730 12.950 9.424 1.00 0.00 N ATOM 548 CA PRO A 40 0.319 11.544 9.484 1.00 0.00 C ATOM 549 C PRO A 40 -0.228 11.042 8.152 1.00 0.00 C ATOM 550 O PRO A 40 -1.071 11.690 7.533 1.00 0.00 O ATOM 551 CB PRO A 40 -0.782 11.542 10.548 1.00 0.00 C ATOM 552 CG PRO A 40 -1.324 12.929 10.535 1.00 0.00 C ATOM 553 CD PRO A 40 -0.163 13.825 10.201 1.00 0.00 C ATOM 0 HA PRO A 40 1.156 10.885 9.714 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -1.557 10.812 10.314 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -0.384 11.282 11.529 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -2.120 13.030 9.797 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -1.752 13.190 11.503 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -0.479 14.693 9.622 1.00 0.00 H new ATOM 0 HD3 PRO A 40 0.325 14.202 11.100 1.00 0.00 H new ATOM 561 N ALA A 41 0.258 9.884 7.717 1.00 0.00 N ATOM 562 CA ALA A 41 -0.184 9.295 6.459 1.00 0.00 C ATOM 563 C ALA A 41 -1.346 8.332 6.682 1.00 0.00 C ATOM 564 O ALA A 41 -1.319 7.514 7.601 1.00 0.00 O ATOM 565 CB ALA A 41 0.972 8.580 5.776 1.00 0.00 C ATOM 0 H ALA A 41 0.958 9.335 8.217 1.00 0.00 H new ATOM 0 HA ALA A 41 -0.532 10.100 5.812 1.00 0.00 H new ATOM 0 HB1 ALA A 41 0.627 8.145 4.838 1.00 0.00 H new ATOM 0 HB2 ALA A 41 1.772 9.292 5.574 1.00 0.00 H new ATOM 0 HB3 ALA A 41 1.346 7.790 6.427 1.00 0.00 H new ATOM 571 N MET A 42 -2.365 8.437 5.836 1.00 0.00 N ATOM 572 CA MET A 42 -3.537 7.574 5.941 1.00 0.00 C ATOM 573 C MET A 42 -3.468 6.437 4.927 1.00 0.00 C ATOM 574 O MET A 42 -3.588 6.659 3.723 1.00 0.00 O ATOM 575 CB MET A 42 -4.815 8.387 5.728 1.00 0.00 C ATOM 576 CG MET A 42 -6.019 7.833 6.474 1.00 0.00 C ATOM 577 SD MET A 42 -6.184 8.520 8.132 1.00 0.00 S ATOM 578 CE MET A 42 -7.948 8.350 8.395 1.00 0.00 C ATOM 0 H MET A 42 -2.404 9.110 5.071 1.00 0.00 H new ATOM 0 HA MET A 42 -3.552 7.143 6.942 1.00 0.00 H new ATOM 0 HB2 MET A 42 -4.640 9.414 6.049 1.00 0.00 H new ATOM 0 HB3 MET A 42 -5.042 8.420 4.662 1.00 0.00 H new ATOM 0 HG2 MET A 42 -6.924 8.046 5.905 1.00 0.00 H new ATOM 0 HG3 MET A 42 -5.933 6.749 6.541 1.00 0.00 H new ATOM 0 HE1 MET A 42 -8.170 8.460 9.457 1.00 0.00 H new ATOM 0 HE2 MET A 42 -8.476 9.120 7.833 1.00 0.00 H new ATOM 0 HE3 MET A 42 -8.273 7.366 8.056 1.00 0.00 H new ATOM 588 N TRP A 43 -3.273 5.220 5.423 1.00 0.00 N ATOM 589 CA TRP A 43 -3.187 4.048 4.559 1.00 0.00 C ATOM 590 C TRP A 43 -4.368 3.112 4.792 1.00 0.00 C ATOM 591 O TRP A 43 -4.444 2.436 5.819 1.00 0.00 O ATOM 592 CB TRP A 43 -1.874 3.303 4.803 1.00 0.00 C ATOM 593 CG TRP A 43 -0.691 3.957 4.156 1.00 0.00 C ATOM 594 CD1 TRP A 43 0.232 4.764 4.758 1.00 0.00 C ATOM 595 CD2 TRP A 43 -0.305 3.861 2.780 1.00 0.00 C ATOM 596 NE1 TRP A 43 1.168 5.175 3.840 1.00 0.00 N ATOM 597 CE2 TRP A 43 0.862 4.634 2.620 1.00 0.00 C ATOM 598 CE3 TRP A 43 -0.830 3.196 1.669 1.00 0.00 C ATOM 599 CZ2 TRP A 43 1.508 4.759 1.393 1.00 0.00 C ATOM 600 CZ3 TRP A 43 -0.187 3.321 0.452 1.00 0.00 C ATOM 601 CH2 TRP A 43 0.972 4.097 0.322 1.00 0.00 C ATOM 0 H TRP A 43 -3.172 5.019 6.418 1.00 0.00 H new ATOM 0 HA TRP A 43 -3.216 4.388 3.524 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -1.699 3.232 5.877 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -1.967 2.284 4.427 1.00 0.00 H new ATOM 0 HD1 TRP A 43 0.227 5.039 5.802 1.00 0.00 H new ATOM 0 HE1 TRP A 43 1.962 5.784 4.036 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -1.723 2.595 1.760 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 2.401 5.358 1.290 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -0.585 2.812 -0.413 1.00 0.00 H new ATOM 0 HH2 TRP A 43 1.452 4.174 -0.642 1.00 0.00 H new ATOM 612 N THR A 44 -5.288 3.076 3.834 1.00 0.00 N ATOM 613 CA THR A 44 -6.466 2.223 3.936 1.00 0.00 C ATOM 614 C THR A 44 -6.523 1.224 2.786 1.00 0.00 C ATOM 615 O THR A 44 -6.798 1.592 1.644 1.00 0.00 O ATOM 616 CB THR A 44 -7.762 3.055 3.944 1.00 0.00 C ATOM 617 OG1 THR A 44 -7.831 3.866 2.766 1.00 0.00 O ATOM 618 CG2 THR A 44 -7.831 3.939 5.180 1.00 0.00 C ATOM 0 H THR A 44 -5.240 3.628 2.978 1.00 0.00 H new ATOM 0 HA THR A 44 -6.384 1.682 4.879 1.00 0.00 H new ATOM 0 HB THR A 44 -8.608 2.368 3.961 1.00 0.00 H new ATOM 0 HG1 THR A 44 -7.370 3.413 2.029 1.00 0.00 H new ATOM 0 HG21 THR A 44 -8.755 4.517 5.163 1.00 0.00 H new ATOM 0 HG22 THR A 44 -7.809 3.316 6.074 1.00 0.00 H new ATOM 0 HG23 THR A 44 -6.979 4.618 5.190 1.00 0.00 H new ATOM 626 N VAL A 45 -6.261 -0.042 3.095 1.00 0.00 N ATOM 627 CA VAL A 45 -6.285 -1.095 2.087 1.00 0.00 C ATOM 628 C VAL A 45 -7.565 -1.918 2.181 1.00 0.00 C ATOM 629 O VAL A 45 -7.637 -2.889 2.933 1.00 0.00 O ATOM 630 CB VAL A 45 -5.072 -2.034 2.228 1.00 0.00 C ATOM 631 CG1 VAL A 45 -4.994 -2.597 3.639 1.00 0.00 C ATOM 632 CG2 VAL A 45 -5.144 -3.155 1.201 1.00 0.00 C ATOM 0 H VAL A 45 -6.030 -0.363 4.035 1.00 0.00 H new ATOM 0 HA VAL A 45 -6.244 -0.603 1.115 1.00 0.00 H new ATOM 0 HB VAL A 45 -4.165 -1.459 2.041 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -4.131 -3.258 3.720 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -4.892 -1.779 4.352 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -5.903 -3.158 3.858 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -4.279 -3.809 1.315 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -6.057 -3.731 1.354 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -5.147 -2.729 0.198 1.00 0.00 H new ATOM 642 N GLY A 46 -8.574 -1.522 1.412 1.00 0.00 N ATOM 643 CA GLY A 46 -9.839 -2.233 1.423 1.00 0.00 C ATOM 644 C GLY A 46 -10.151 -2.841 2.777 1.00 0.00 C ATOM 645 O GLY A 46 -9.896 -4.021 3.008 1.00 0.00 O ATOM 0 H GLY A 46 -8.538 -0.721 0.781 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -10.639 -1.548 1.142 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -9.816 -3.021 0.671 1.00 0.00 H new ATOM 649 N GLY A 47 -10.703 -2.030 3.674 1.00 0.00 N ATOM 650 CA GLY A 47 -11.038 -2.512 5.001 1.00 0.00 C ATOM 651 C GLY A 47 -11.130 -1.392 6.019 1.00 0.00 C ATOM 652 O GLY A 47 -12.189 -1.157 6.602 1.00 0.00 O ATOM 0 H GLY A 47 -10.924 -1.049 3.506 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -11.989 -3.042 4.962 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -10.285 -3.231 5.324 1.00 0.00 H new ATOM 656 N LYS A 48 -10.017 -0.698 6.235 1.00 0.00 N ATOM 657 CA LYS A 48 -9.975 0.403 7.189 1.00 0.00 C ATOM 658 C LYS A 48 -8.617 1.097 7.160 1.00 0.00 C ATOM 659 O LYS A 48 -7.759 0.771 6.338 1.00 0.00 O ATOM 660 CB LYS A 48 -10.269 -0.107 8.602 1.00 0.00 C ATOM 661 CG LYS A 48 -9.564 -1.410 8.937 1.00 0.00 C ATOM 662 CD LYS A 48 -8.196 -1.162 9.549 1.00 0.00 C ATOM 663 CE LYS A 48 -8.274 -1.053 11.064 1.00 0.00 C ATOM 664 NZ LYS A 48 -8.734 0.294 11.500 1.00 0.00 N ATOM 0 H LYS A 48 -9.132 -0.879 5.762 1.00 0.00 H new ATOM 0 HA LYS A 48 -10.739 1.126 6.904 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -9.971 0.654 9.323 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -11.344 -0.247 8.712 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -10.175 -1.987 9.631 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -9.456 -2.009 8.033 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -7.522 -1.974 9.276 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -7.774 -0.245 9.139 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -8.956 -1.812 11.448 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -7.294 -1.259 11.494 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -8.445 0.457 12.486 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -8.309 1.021 10.890 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -9.770 0.346 11.430 1.00 0.00 H new ATOM 678 N THR A 49 -8.426 2.053 8.063 1.00 0.00 N ATOM 679 CA THR A 49 -7.172 2.792 8.141 1.00 0.00 C ATOM 680 C THR A 49 -6.114 2.000 8.901 1.00 0.00 C ATOM 681 O THR A 49 -6.040 2.061 10.128 1.00 0.00 O ATOM 682 CB THR A 49 -7.366 4.157 8.827 1.00 0.00 C ATOM 683 OG1 THR A 49 -8.518 4.816 8.290 1.00 0.00 O ATOM 684 CG2 THR A 49 -6.139 5.037 8.638 1.00 0.00 C ATOM 0 H THR A 49 -9.124 2.334 8.751 1.00 0.00 H new ATOM 0 HA THR A 49 -6.836 2.953 7.117 1.00 0.00 H new ATOM 0 HB THR A 49 -7.510 3.985 9.894 1.00 0.00 H new ATOM 0 HG1 THR A 49 -9.009 5.258 9.014 1.00 0.00 H new ATOM 0 HG21 THR A 49 -6.299 5.996 9.131 1.00 0.00 H new ATOM 0 HG22 THR A 49 -5.269 4.546 9.073 1.00 0.00 H new ATOM 0 HG23 THR A 49 -5.969 5.200 7.574 1.00 0.00 H new ATOM 692 N VAL A 50 -5.295 1.256 8.163 1.00 0.00 N ATOM 693 CA VAL A 50 -4.239 0.453 8.768 1.00 0.00 C ATOM 694 C VAL A 50 -3.069 1.326 9.209 1.00 0.00 C ATOM 695 O VAL A 50 -2.866 2.421 8.686 1.00 0.00 O ATOM 696 CB VAL A 50 -3.723 -0.622 7.793 1.00 0.00 C ATOM 697 CG1 VAL A 50 -4.869 -1.499 7.311 1.00 0.00 C ATOM 698 CG2 VAL A 50 -3.005 0.025 6.618 1.00 0.00 C ATOM 0 H VAL A 50 -5.343 1.193 7.146 1.00 0.00 H new ATOM 0 HA VAL A 50 -4.673 -0.036 9.640 1.00 0.00 H new ATOM 0 HB VAL A 50 -3.010 -1.255 8.321 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -4.486 -2.253 6.623 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -5.335 -1.991 8.165 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -5.608 -0.883 6.799 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -2.647 -0.749 5.939 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -3.694 0.682 6.088 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -2.159 0.606 6.984 1.00 0.00 H new ATOM 708 N GLY A 51 -2.301 0.833 10.176 1.00 0.00 N ATOM 709 CA GLY A 51 -1.160 1.580 10.672 1.00 0.00 C ATOM 710 C GLY A 51 -0.519 0.926 11.880 1.00 0.00 C ATOM 711 O GLY A 51 0.605 0.432 11.803 1.00 0.00 O ATOM 0 H GLY A 51 -2.449 -0.071 10.625 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -0.419 1.675 9.878 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -1.477 2.589 10.935 1.00 0.00 H new ATOM 715 N SER A 52 -1.235 0.925 13.000 1.00 0.00 N ATOM 716 CA SER A 52 -0.727 0.332 14.231 1.00 0.00 C ATOM 717 C SER A 52 -0.999 -1.169 14.264 1.00 0.00 C ATOM 718 O SER A 52 -1.092 -1.771 15.334 1.00 0.00 O ATOM 719 CB SER A 52 -1.366 1.004 15.448 1.00 0.00 C ATOM 720 OG SER A 52 -2.747 0.697 15.533 1.00 0.00 O ATOM 0 H SER A 52 -2.168 1.328 13.080 1.00 0.00 H new ATOM 0 HA SER A 52 0.351 0.489 14.262 1.00 0.00 H new ATOM 0 HB2 SER A 52 -0.861 0.675 16.356 1.00 0.00 H new ATOM 0 HB3 SER A 52 -1.234 2.084 15.382 1.00 0.00 H new ATOM 0 HG SER A 52 -3.132 1.137 16.320 1.00 0.00 H new ATOM 726 N SER A 53 -1.126 -1.767 13.084 1.00 0.00 N ATOM 727 CA SER A 53 -1.391 -3.197 12.976 1.00 0.00 C ATOM 728 C SER A 53 -0.108 -3.967 12.680 1.00 0.00 C ATOM 729 O SER A 53 0.670 -3.587 11.804 1.00 0.00 O ATOM 730 CB SER A 53 -2.423 -3.464 11.879 1.00 0.00 C ATOM 731 OG SER A 53 -2.898 -4.798 11.938 1.00 0.00 O ATOM 0 H SER A 53 -1.050 -1.284 12.189 1.00 0.00 H new ATOM 0 HA SER A 53 -1.788 -3.541 13.931 1.00 0.00 H new ATOM 0 HB2 SER A 53 -3.259 -2.772 11.986 1.00 0.00 H new ATOM 0 HB3 SER A 53 -1.977 -3.277 10.902 1.00 0.00 H new ATOM 0 HG SER A 53 -3.557 -4.942 11.228 1.00 0.00 H new ATOM 737 N SER A 54 0.108 -5.051 13.418 1.00 0.00 N ATOM 738 CA SER A 54 1.298 -5.874 13.239 1.00 0.00 C ATOM 739 C SER A 54 1.503 -6.220 11.767 1.00 0.00 C ATOM 740 O SER A 54 2.595 -6.053 11.225 1.00 0.00 O ATOM 741 CB SER A 54 1.187 -7.156 14.066 1.00 0.00 C ATOM 742 OG SER A 54 1.297 -6.880 15.452 1.00 0.00 O ATOM 0 H SER A 54 -0.526 -5.380 14.146 1.00 0.00 H new ATOM 0 HA SER A 54 2.160 -5.302 13.583 1.00 0.00 H new ATOM 0 HB2 SER A 54 0.232 -7.642 13.863 1.00 0.00 H new ATOM 0 HB3 SER A 54 1.969 -7.854 13.768 1.00 0.00 H new ATOM 0 HG SER A 54 1.221 -7.715 15.959 1.00 0.00 H new ATOM 748 N ARG A 55 0.444 -6.705 11.127 1.00 0.00 N ATOM 749 CA ARG A 55 0.506 -7.076 9.719 1.00 0.00 C ATOM 750 C ARG A 55 0.761 -5.852 8.844 1.00 0.00 C ATOM 751 O ARG A 55 1.834 -5.708 8.258 1.00 0.00 O ATOM 752 CB ARG A 55 -0.794 -7.760 9.292 1.00 0.00 C ATOM 753 CG ARG A 55 -0.849 -9.238 9.643 1.00 0.00 C ATOM 754 CD ARG A 55 -2.055 -9.916 9.010 1.00 0.00 C ATOM 755 NE ARG A 55 -3.229 -9.866 9.877 1.00 0.00 N ATOM 756 CZ ARG A 55 -4.060 -8.831 9.931 1.00 0.00 C ATOM 757 NH1 ARG A 55 -3.847 -7.766 9.171 1.00 0.00 N ATOM 758 NH2 ARG A 55 -5.107 -8.861 10.746 1.00 0.00 N ATOM 0 H ARG A 55 -0.467 -6.850 11.562 1.00 0.00 H new ATOM 0 HA ARG A 55 1.335 -7.772 9.589 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -1.634 -7.252 9.765 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -0.918 -7.646 8.215 1.00 0.00 H new ATOM 0 HG2 ARG A 55 0.064 -9.728 9.305 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -0.891 -9.355 10.726 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -2.285 -9.433 8.060 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -1.812 -10.955 8.789 1.00 0.00 H new ATOM 0 HE ARG A 55 -3.422 -10.670 10.474 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -3.044 -7.740 8.543 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -4.486 -6.973 9.214 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -5.274 -9.679 11.332 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -5.744 -8.066 10.787 1.00 0.00 H new ATOM 772 N PHE A 56 -0.233 -4.974 8.761 1.00 0.00 N ATOM 773 CA PHE A 56 -0.117 -3.763 7.957 1.00 0.00 C ATOM 774 C PHE A 56 0.712 -2.706 8.681 1.00 0.00 C ATOM 775 O PHE A 56 0.244 -2.080 9.631 1.00 0.00 O ATOM 776 CB PHE A 56 -1.505 -3.205 7.633 1.00 0.00 C ATOM 777 CG PHE A 56 -2.273 -4.043 6.651 1.00 0.00 C ATOM 778 CD1 PHE A 56 -2.141 -3.832 5.288 1.00 0.00 C ATOM 779 CD2 PHE A 56 -3.127 -5.041 7.092 1.00 0.00 C ATOM 780 CE1 PHE A 56 -2.848 -4.601 4.383 1.00 0.00 C ATOM 781 CE2 PHE A 56 -3.836 -5.813 6.191 1.00 0.00 C ATOM 782 CZ PHE A 56 -3.695 -5.594 4.835 1.00 0.00 C ATOM 0 H PHE A 56 -1.127 -5.078 9.240 1.00 0.00 H new ATOM 0 HA PHE A 56 0.389 -4.022 7.027 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -2.079 -3.123 8.556 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -1.398 -2.197 7.233 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -1.479 -3.058 4.929 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -3.240 -5.218 8.151 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -2.738 -4.426 3.323 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -4.500 -6.587 6.547 1.00 0.00 H new ATOM 0 HZ PHE A 56 -4.246 -6.198 4.129 1.00 0.00 H new ATOM 792 N GLN A 57 1.945 -2.515 8.225 1.00 0.00 N ATOM 793 CA GLN A 57 2.840 -1.535 8.830 1.00 0.00 C ATOM 794 C GLN A 57 3.272 -0.488 7.808 1.00 0.00 C ATOM 795 O GLN A 57 3.951 -0.803 6.832 1.00 0.00 O ATOM 796 CB GLN A 57 4.070 -2.230 9.416 1.00 0.00 C ATOM 797 CG GLN A 57 5.062 -1.273 10.056 1.00 0.00 C ATOM 798 CD GLN A 57 4.491 -0.564 11.269 1.00 0.00 C ATOM 799 OE1 GLN A 57 3.903 -1.193 12.149 1.00 0.00 O ATOM 800 NE2 GLN A 57 4.661 0.752 11.320 1.00 0.00 N ATOM 0 H GLN A 57 2.348 -3.025 7.439 1.00 0.00 H new ATOM 0 HA GLN A 57 2.299 -1.032 9.632 1.00 0.00 H new ATOM 0 HB2 GLN A 57 3.746 -2.956 10.161 1.00 0.00 H new ATOM 0 HB3 GLN A 57 4.573 -2.787 8.626 1.00 0.00 H new ATOM 0 HG2 GLN A 57 5.955 -1.824 10.349 1.00 0.00 H new ATOM 0 HG3 GLN A 57 5.373 -0.532 9.320 1.00 0.00 H new ATOM 0 HE21 GLN A 57 5.155 1.232 10.568 1.00 0.00 H new ATOM 0 HE22 GLN A 57 4.298 1.283 12.112 1.00 0.00 H new ATOM 809 N ALA A 58 2.872 0.758 8.040 1.00 0.00 N ATOM 810 CA ALA A 58 3.220 1.851 7.141 1.00 0.00 C ATOM 811 C ALA A 58 4.544 2.491 7.541 1.00 0.00 C ATOM 812 O ALA A 58 4.636 3.164 8.569 1.00 0.00 O ATOM 813 CB ALA A 58 2.111 2.893 7.125 1.00 0.00 C ATOM 0 H ALA A 58 2.307 1.035 8.843 1.00 0.00 H new ATOM 0 HA ALA A 58 3.334 1.441 6.137 1.00 0.00 H new ATOM 0 HB1 ALA A 58 2.383 3.704 6.450 1.00 0.00 H new ATOM 0 HB2 ALA A 58 1.184 2.432 6.784 1.00 0.00 H new ATOM 0 HB3 ALA A 58 1.970 3.290 8.130 1.00 0.00 H new ATOM 819 N THR A 59 5.571 2.277 6.724 1.00 0.00 N ATOM 820 CA THR A 59 6.891 2.832 6.993 1.00 0.00 C ATOM 821 C THR A 59 7.077 4.174 6.295 1.00 0.00 C ATOM 822 O THR A 59 6.340 4.510 5.368 1.00 0.00 O ATOM 823 CB THR A 59 8.007 1.871 6.540 1.00 0.00 C ATOM 824 OG1 THR A 59 7.937 1.673 5.123 1.00 0.00 O ATOM 825 CG2 THR A 59 7.890 0.532 7.251 1.00 0.00 C ATOM 0 H THR A 59 5.513 1.723 5.870 1.00 0.00 H new ATOM 0 HA THR A 59 6.960 2.975 8.071 1.00 0.00 H new ATOM 0 HB THR A 59 8.968 2.317 6.797 1.00 0.00 H new ATOM 0 HG1 THR A 59 8.650 1.062 4.842 1.00 0.00 H new ATOM 0 HG21 THR A 59 8.688 -0.129 6.915 1.00 0.00 H new ATOM 0 HG22 THR A 59 7.973 0.683 8.327 1.00 0.00 H new ATOM 0 HG23 THR A 59 6.925 0.081 7.021 1.00 0.00 H new ATOM 833 N ARG A 60 8.067 4.938 6.746 1.00 0.00 N ATOM 834 CA ARG A 60 8.349 6.245 6.164 1.00 0.00 C ATOM 835 C ARG A 60 9.811 6.347 5.740 1.00 0.00 C ATOM 836 O ARG A 60 10.715 6.061 6.524 1.00 0.00 O ATOM 837 CB ARG A 60 8.018 7.354 7.164 1.00 0.00 C ATOM 838 CG ARG A 60 8.071 8.750 6.565 1.00 0.00 C ATOM 839 CD ARG A 60 8.233 9.812 7.642 1.00 0.00 C ATOM 840 NE ARG A 60 9.604 9.883 8.140 1.00 0.00 N ATOM 841 CZ ARG A 60 10.090 10.922 8.808 1.00 0.00 C ATOM 842 NH1 ARG A 60 9.321 11.973 9.058 1.00 0.00 N ATOM 843 NH2 ARG A 60 11.349 10.912 9.229 1.00 0.00 N ATOM 0 H ARG A 60 8.687 4.675 7.512 1.00 0.00 H new ATOM 0 HA ARG A 60 7.723 6.364 5.280 1.00 0.00 H new ATOM 0 HB2 ARG A 60 7.022 7.180 7.570 1.00 0.00 H new ATOM 0 HB3 ARG A 60 8.717 7.299 7.999 1.00 0.00 H new ATOM 0 HG2 ARG A 60 8.901 8.814 5.861 1.00 0.00 H new ATOM 0 HG3 ARG A 60 7.159 8.940 6.000 1.00 0.00 H new ATOM 0 HD2 ARG A 60 7.943 10.783 7.240 1.00 0.00 H new ATOM 0 HD3 ARG A 60 7.558 9.595 8.470 1.00 0.00 H new ATOM 0 HE ARG A 60 10.222 9.091 7.965 1.00 0.00 H new ATOM 0 HH11 ARG A 60 8.353 11.985 8.737 1.00 0.00 H new ATOM 0 HH12 ARG A 60 9.698 12.770 9.572 1.00 0.00 H new ATOM 0 HH21 ARG A 60 11.944 10.105 9.039 1.00 0.00 H new ATOM 0 HH22 ARG A 60 11.721 11.711 9.742 1.00 0.00 H new ATOM 857 N GLN A 61 10.034 6.757 4.496 1.00 0.00 N ATOM 858 CA GLN A 61 11.386 6.896 3.968 1.00 0.00 C ATOM 859 C GLN A 61 11.580 8.263 3.320 1.00 0.00 C ATOM 860 O GLN A 61 11.230 8.465 2.158 1.00 0.00 O ATOM 861 CB GLN A 61 11.675 5.790 2.951 1.00 0.00 C ATOM 862 CG GLN A 61 12.996 5.966 2.220 1.00 0.00 C ATOM 863 CD GLN A 61 14.187 5.966 3.159 1.00 0.00 C ATOM 864 OE1 GLN A 61 14.681 4.909 3.553 1.00 0.00 O ATOM 865 NE2 GLN A 61 14.654 7.154 3.524 1.00 0.00 N ATOM 0 H GLN A 61 9.296 6.999 3.835 1.00 0.00 H new ATOM 0 HA GLN A 61 12.085 6.807 4.800 1.00 0.00 H new ATOM 0 HB2 GLN A 61 11.678 4.828 3.464 1.00 0.00 H new ATOM 0 HB3 GLN A 61 10.866 5.759 2.221 1.00 0.00 H new ATOM 0 HG2 GLN A 61 13.113 5.164 1.491 1.00 0.00 H new ATOM 0 HG3 GLN A 61 12.977 6.903 1.663 1.00 0.00 H new ATOM 0 HE21 GLN A 61 14.214 8.005 3.173 1.00 0.00 H new ATOM 0 HE22 GLN A 61 15.453 7.216 4.155 1.00 0.00 H new ATOM 874 N GLY A 62 12.140 9.198 4.081 1.00 0.00 N ATOM 875 CA GLY A 62 12.371 10.535 3.564 1.00 0.00 C ATOM 876 C GLY A 62 11.098 11.191 3.066 1.00 0.00 C ATOM 877 O GLY A 62 10.349 11.779 3.845 1.00 0.00 O ATOM 0 H GLY A 62 12.438 9.054 5.046 1.00 0.00 H new ATOM 0 HA2 GLY A 62 12.813 11.153 4.346 1.00 0.00 H new ATOM 0 HA3 GLY A 62 13.094 10.487 2.750 1.00 0.00 H new ATOM 881 N ARG A 63 10.855 11.092 1.763 1.00 0.00 N ATOM 882 CA ARG A 63 9.666 11.684 1.161 1.00 0.00 C ATOM 883 C ARG A 63 8.844 10.627 0.428 1.00 0.00 C ATOM 884 O ARG A 63 8.044 10.947 -0.451 1.00 0.00 O ATOM 885 CB ARG A 63 10.060 12.801 0.193 1.00 0.00 C ATOM 886 CG ARG A 63 11.059 12.364 -0.866 1.00 0.00 C ATOM 887 CD ARG A 63 10.372 11.644 -2.016 1.00 0.00 C ATOM 888 NE ARG A 63 11.147 11.722 -3.251 1.00 0.00 N ATOM 889 CZ ARG A 63 12.229 10.988 -3.488 1.00 0.00 C ATOM 890 NH1 ARG A 63 12.661 10.126 -2.578 1.00 0.00 N ATOM 891 NH2 ARG A 63 12.880 11.116 -4.637 1.00 0.00 N ATOM 0 H ARG A 63 11.465 10.608 1.104 1.00 0.00 H new ATOM 0 HA ARG A 63 9.056 12.104 1.960 1.00 0.00 H new ATOM 0 HB2 ARG A 63 9.163 13.177 -0.299 1.00 0.00 H new ATOM 0 HB3 ARG A 63 10.484 13.630 0.760 1.00 0.00 H new ATOM 0 HG2 ARG A 63 11.592 13.235 -1.247 1.00 0.00 H new ATOM 0 HG3 ARG A 63 11.803 11.707 -0.417 1.00 0.00 H new ATOM 0 HD2 ARG A 63 10.219 10.598 -1.749 1.00 0.00 H new ATOM 0 HD3 ARG A 63 9.386 12.079 -2.179 1.00 0.00 H new ATOM 0 HE ARG A 63 10.841 12.376 -3.971 1.00 0.00 H new ATOM 0 HH11 ARG A 63 12.163 10.025 -1.694 1.00 0.00 H new ATOM 0 HH12 ARG A 63 13.492 9.564 -2.762 1.00 0.00 H new ATOM 0 HH21 ARG A 63 12.550 11.778 -5.339 1.00 0.00 H new ATOM 0 HH22 ARG A 63 13.711 10.552 -4.818 1.00 0.00 H new ATOM 905 N LYS A 64 9.048 9.367 0.796 1.00 0.00 N ATOM 906 CA LYS A 64 8.327 8.262 0.175 1.00 0.00 C ATOM 907 C LYS A 64 7.663 7.384 1.231 1.00 0.00 C ATOM 908 O LYS A 64 8.286 7.017 2.228 1.00 0.00 O ATOM 909 CB LYS A 64 9.278 7.421 -0.679 1.00 0.00 C ATOM 910 CG LYS A 64 8.608 6.231 -1.344 1.00 0.00 C ATOM 911 CD LYS A 64 9.583 5.084 -1.549 1.00 0.00 C ATOM 912 CE LYS A 64 10.329 5.216 -2.868 1.00 0.00 C ATOM 913 NZ LYS A 64 11.433 6.211 -2.784 1.00 0.00 N ATOM 0 H LYS A 64 9.707 9.085 1.522 1.00 0.00 H new ATOM 0 HA LYS A 64 7.550 8.681 -0.464 1.00 0.00 H new ATOM 0 HB2 LYS A 64 9.719 8.055 -1.448 1.00 0.00 H new ATOM 0 HB3 LYS A 64 10.095 7.064 -0.053 1.00 0.00 H new ATOM 0 HG2 LYS A 64 7.772 5.894 -0.731 1.00 0.00 H new ATOM 0 HG3 LYS A 64 8.196 6.535 -2.306 1.00 0.00 H new ATOM 0 HD2 LYS A 64 10.298 5.061 -0.726 1.00 0.00 H new ATOM 0 HD3 LYS A 64 9.043 4.138 -1.528 1.00 0.00 H new ATOM 0 HE2 LYS A 64 10.736 4.246 -3.154 1.00 0.00 H new ATOM 0 HE3 LYS A 64 9.632 5.513 -3.651 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 12.131 6.018 -3.530 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 11.047 7.169 -2.909 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 11.893 6.142 -1.854 1.00 0.00 H new ATOM 927 N TYR A 65 6.398 7.049 1.005 1.00 0.00 N ATOM 928 CA TYR A 65 5.650 6.215 1.938 1.00 0.00 C ATOM 929 C TYR A 65 5.543 4.783 1.423 1.00 0.00 C ATOM 930 O TYR A 65 5.413 4.552 0.220 1.00 0.00 O ATOM 931 CB TYR A 65 4.252 6.793 2.164 1.00 0.00 C ATOM 932 CG TYR A 65 4.260 8.180 2.766 1.00 0.00 C ATOM 933 CD1 TYR A 65 4.761 8.402 4.042 1.00 0.00 C ATOM 934 CD2 TYR A 65 3.767 9.269 2.057 1.00 0.00 C ATOM 935 CE1 TYR A 65 4.770 9.667 4.596 1.00 0.00 C ATOM 936 CE2 TYR A 65 3.773 10.538 2.602 1.00 0.00 C ATOM 937 CZ TYR A 65 4.275 10.732 3.872 1.00 0.00 C ATOM 938 OH TYR A 65 4.283 11.995 4.419 1.00 0.00 O ATOM 0 H TYR A 65 5.869 7.342 0.184 1.00 0.00 H new ATOM 0 HA TYR A 65 6.188 6.202 2.886 1.00 0.00 H new ATOM 0 HB2 TYR A 65 3.722 6.822 1.212 1.00 0.00 H new ATOM 0 HB3 TYR A 65 3.693 6.125 2.819 1.00 0.00 H new ATOM 0 HD1 TYR A 65 5.150 7.571 4.611 1.00 0.00 H new ATOM 0 HD2 TYR A 65 3.372 9.120 1.063 1.00 0.00 H new ATOM 0 HE1 TYR A 65 5.162 9.822 5.590 1.00 0.00 H new ATOM 0 HE2 TYR A 65 3.387 11.374 2.037 1.00 0.00 H new ATOM 0 HH TYR A 65 3.901 12.631 3.779 1.00 0.00 H new ATOM 948 N ILE A 66 5.598 3.825 2.342 1.00 0.00 N ATOM 949 CA ILE A 66 5.506 2.415 1.982 1.00 0.00 C ATOM 950 C ILE A 66 4.613 1.656 2.957 1.00 0.00 C ATOM 951 O ILE A 66 4.777 1.758 4.174 1.00 0.00 O ATOM 952 CB ILE A 66 6.895 1.750 1.950 1.00 0.00 C ATOM 953 CG1 ILE A 66 7.806 2.470 0.954 1.00 0.00 C ATOM 954 CG2 ILE A 66 6.769 0.277 1.591 1.00 0.00 C ATOM 955 CD1 ILE A 66 8.515 3.670 1.542 1.00 0.00 C ATOM 0 H ILE A 66 5.706 3.999 3.341 1.00 0.00 H new ATOM 0 HA ILE A 66 5.069 2.372 0.984 1.00 0.00 H new ATOM 0 HB ILE A 66 7.341 1.825 2.942 1.00 0.00 H new ATOM 0 HG12 ILE A 66 8.549 1.766 0.580 1.00 0.00 H new ATOM 0 HG13 ILE A 66 7.213 2.792 0.098 1.00 0.00 H new ATOM 0 HG21 ILE A 66 7.759 -0.179 1.572 1.00 0.00 H new ATOM 0 HG22 ILE A 66 6.151 -0.227 2.334 1.00 0.00 H new ATOM 0 HG23 ILE A 66 6.306 0.180 0.609 1.00 0.00 H new ATOM 0 HD11 ILE A 66 9.143 4.131 0.780 1.00 0.00 H new ATOM 0 HD12 ILE A 66 7.778 4.393 1.891 1.00 0.00 H new ATOM 0 HD13 ILE A 66 9.136 3.352 2.380 1.00 0.00 H new ATOM 967 N LEU A 67 3.671 0.892 2.416 1.00 0.00 N ATOM 968 CA LEU A 67 2.752 0.112 3.239 1.00 0.00 C ATOM 969 C LEU A 67 3.071 -1.377 3.149 1.00 0.00 C ATOM 970 O LEU A 67 2.828 -2.013 2.123 1.00 0.00 O ATOM 971 CB LEU A 67 1.308 0.364 2.804 1.00 0.00 C ATOM 972 CG LEU A 67 0.255 -0.574 3.396 1.00 0.00 C ATOM 973 CD1 LEU A 67 -0.028 -0.212 4.845 1.00 0.00 C ATOM 974 CD2 LEU A 67 -1.024 -0.528 2.573 1.00 0.00 C ATOM 0 H LEU A 67 3.523 0.796 1.411 1.00 0.00 H new ATOM 0 HA LEU A 67 2.873 0.428 4.275 1.00 0.00 H new ATOM 0 HB2 LEU A 67 1.043 1.388 3.069 1.00 0.00 H new ATOM 0 HB3 LEU A 67 1.259 0.293 1.717 1.00 0.00 H new ATOM 0 HG LEU A 67 0.645 -1.591 3.367 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -0.780 -0.890 5.249 1.00 0.00 H new ATOM 0 HD12 LEU A 67 0.889 -0.298 5.427 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -0.397 0.812 4.899 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -1.762 -1.202 3.009 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -1.418 0.488 2.569 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -0.810 -0.838 1.550 1.00 0.00 H new ATOM 986 N VAL A 68 3.613 -1.927 4.230 1.00 0.00 N ATOM 987 CA VAL A 68 3.962 -3.342 4.275 1.00 0.00 C ATOM 988 C VAL A 68 2.728 -4.205 4.512 1.00 0.00 C ATOM 989 O VAL A 68 1.898 -3.898 5.369 1.00 0.00 O ATOM 990 CB VAL A 68 4.997 -3.631 5.378 1.00 0.00 C ATOM 991 CG1 VAL A 68 5.078 -5.124 5.656 1.00 0.00 C ATOM 992 CG2 VAL A 68 6.359 -3.078 4.988 1.00 0.00 C ATOM 0 H VAL A 68 3.820 -1.414 5.087 1.00 0.00 H new ATOM 0 HA VAL A 68 4.396 -3.591 3.307 1.00 0.00 H new ATOM 0 HB VAL A 68 4.677 -3.133 6.293 1.00 0.00 H new ATOM 0 HG11 VAL A 68 5.814 -5.309 6.438 1.00 0.00 H new ATOM 0 HG12 VAL A 68 4.103 -5.487 5.982 1.00 0.00 H new ATOM 0 HG13 VAL A 68 5.374 -5.648 4.747 1.00 0.00 H new ATOM 0 HG21 VAL A 68 7.078 -3.291 5.779 1.00 0.00 H new ATOM 0 HG22 VAL A 68 6.690 -3.546 4.061 1.00 0.00 H new ATOM 0 HG23 VAL A 68 6.286 -2.000 4.844 1.00 0.00 H new ATOM 1002 N VAL A 69 2.612 -5.287 3.748 1.00 0.00 N ATOM 1003 CA VAL A 69 1.480 -6.196 3.877 1.00 0.00 C ATOM 1004 C VAL A 69 1.947 -7.621 4.152 1.00 0.00 C ATOM 1005 O VAL A 69 2.548 -8.265 3.292 1.00 0.00 O ATOM 1006 CB VAL A 69 0.609 -6.190 2.606 1.00 0.00 C ATOM 1007 CG1 VAL A 69 -0.534 -7.186 2.738 1.00 0.00 C ATOM 1008 CG2 VAL A 69 0.078 -4.791 2.331 1.00 0.00 C ATOM 0 H VAL A 69 3.289 -5.555 3.033 1.00 0.00 H new ATOM 0 HA VAL A 69 0.885 -5.843 4.719 1.00 0.00 H new ATOM 0 HB VAL A 69 1.227 -6.492 1.761 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -1.139 -7.168 1.831 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -0.129 -8.187 2.884 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -1.154 -6.917 3.593 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -0.535 -4.805 1.430 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -0.526 -4.458 3.175 1.00 0.00 H new ATOM 0 HG23 VAL A 69 0.914 -4.106 2.190 1.00 0.00 H new ATOM 1018 N ARG A 70 1.667 -8.107 5.356 1.00 0.00 N ATOM 1019 CA ARG A 70 2.059 -9.456 5.746 1.00 0.00 C ATOM 1020 C ARG A 70 0.866 -10.405 5.696 1.00 0.00 C ATOM 1021 O ARG A 70 -0.282 -9.981 5.828 1.00 0.00 O ATOM 1022 CB ARG A 70 2.661 -9.449 7.153 1.00 0.00 C ATOM 1023 CG ARG A 70 4.154 -9.168 7.175 1.00 0.00 C ATOM 1024 CD ARG A 70 4.461 -7.748 6.726 1.00 0.00 C ATOM 1025 NE ARG A 70 5.785 -7.310 7.160 1.00 0.00 N ATOM 1026 CZ ARG A 70 6.918 -7.809 6.680 1.00 0.00 C ATOM 1027 NH1 ARG A 70 6.888 -8.758 5.754 1.00 0.00 N ATOM 1028 NH2 ARG A 70 8.084 -7.359 7.125 1.00 0.00 N ATOM 0 H ARG A 70 1.170 -7.587 6.079 1.00 0.00 H new ATOM 0 HA ARG A 70 2.810 -9.807 5.039 1.00 0.00 H new ATOM 0 HB2 ARG A 70 2.150 -8.697 7.754 1.00 0.00 H new ATOM 0 HB3 ARG A 70 2.475 -10.414 7.624 1.00 0.00 H new ATOM 0 HG2 ARG A 70 4.540 -9.323 8.183 1.00 0.00 H new ATOM 0 HG3 ARG A 70 4.668 -9.876 6.524 1.00 0.00 H new ATOM 0 HD2 ARG A 70 4.398 -7.690 5.639 1.00 0.00 H new ATOM 0 HD3 ARG A 70 3.706 -7.071 7.125 1.00 0.00 H new ATOM 0 HE ARG A 70 5.842 -6.581 7.871 1.00 0.00 H new ATOM 0 HH11 ARG A 70 5.993 -9.106 5.409 1.00 0.00 H new ATOM 0 HH12 ARG A 70 7.760 -9.140 5.387 1.00 0.00 H new ATOM 0 HH21 ARG A 70 8.111 -6.629 7.837 1.00 0.00 H new ATOM 0 HH22 ARG A 70 8.954 -7.743 6.755 1.00 0.00 H new ATOM 1042 N GLU A 71 1.146 -11.691 5.506 1.00 0.00 N ATOM 1043 CA GLU A 71 0.094 -12.699 5.438 1.00 0.00 C ATOM 1044 C GLU A 71 -1.077 -12.208 4.591 1.00 0.00 C ATOM 1045 O GLU A 71 -2.229 -12.259 5.018 1.00 0.00 O ATOM 1046 CB GLU A 71 -0.393 -13.056 6.843 1.00 0.00 C ATOM 1047 CG GLU A 71 0.688 -13.655 7.728 1.00 0.00 C ATOM 1048 CD GLU A 71 0.881 -15.140 7.489 1.00 0.00 C ATOM 1049 OE1 GLU A 71 -0.091 -15.804 7.073 1.00 0.00 O ATOM 1050 OE2 GLU A 71 2.003 -15.637 7.719 1.00 0.00 O ATOM 0 H GLU A 71 2.091 -12.059 5.397 1.00 0.00 H new ATOM 0 HA GLU A 71 0.511 -13.590 4.969 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -0.786 -12.159 7.321 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -1.219 -13.763 6.764 1.00 0.00 H new ATOM 0 HG2 GLU A 71 1.629 -13.136 7.547 1.00 0.00 H new ATOM 0 HG3 GLU A 71 0.429 -13.490 8.774 1.00 0.00 H new ATOM 1057 N ALA A 72 -0.771 -11.731 3.389 1.00 0.00 N ATOM 1058 CA ALA A 72 -1.797 -11.232 2.482 1.00 0.00 C ATOM 1059 C ALA A 72 -2.920 -12.249 2.309 1.00 0.00 C ATOM 1060 O ALA A 72 -2.696 -13.456 2.401 1.00 0.00 O ATOM 1061 CB ALA A 72 -1.185 -10.885 1.133 1.00 0.00 C ATOM 0 H ALA A 72 0.179 -11.680 3.021 1.00 0.00 H new ATOM 0 HA ALA A 72 -2.224 -10.329 2.919 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -1.963 -10.514 0.465 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -0.423 -10.117 1.266 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -0.730 -11.776 0.700 1.00 0.00 H new ATOM 1067 N ALA A 73 -4.127 -11.754 2.060 1.00 0.00 N ATOM 1068 CA ALA A 73 -5.285 -12.621 1.873 1.00 0.00 C ATOM 1069 C ALA A 73 -5.954 -12.361 0.528 1.00 0.00 C ATOM 1070 O ALA A 73 -5.755 -11.322 -0.101 1.00 0.00 O ATOM 1071 CB ALA A 73 -6.280 -12.423 3.007 1.00 0.00 C ATOM 0 H ALA A 73 -4.329 -10.757 1.983 1.00 0.00 H new ATOM 0 HA ALA A 73 -4.940 -13.655 1.883 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -7.139 -13.076 2.855 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -5.803 -12.666 3.956 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -6.612 -11.385 3.023 1.00 0.00 H new ATOM 1077 N PRO A 74 -6.766 -13.327 0.074 1.00 0.00 N ATOM 1078 CA PRO A 74 -7.480 -13.226 -1.202 1.00 0.00 C ATOM 1079 C PRO A 74 -8.587 -12.177 -1.165 1.00 0.00 C ATOM 1080 O PRO A 74 -8.770 -11.420 -2.118 1.00 0.00 O ATOM 1081 CB PRO A 74 -8.075 -14.624 -1.388 1.00 0.00 C ATOM 1082 CG PRO A 74 -8.199 -15.169 -0.008 1.00 0.00 C ATOM 1083 CD PRO A 74 -7.049 -14.593 0.771 1.00 0.00 C ATOM 0 HA PRO A 74 -6.822 -12.917 -2.014 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -9.044 -14.579 -1.884 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -7.430 -15.250 -2.004 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -9.153 -14.887 0.438 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -8.159 -16.258 -0.014 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -7.314 -14.427 1.815 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -6.185 -15.258 0.763 1.00 0.00 H new ATOM 1091 N SER A 75 -9.322 -12.139 -0.058 1.00 0.00 N ATOM 1092 CA SER A 75 -10.414 -11.185 0.101 1.00 0.00 C ATOM 1093 C SER A 75 -9.882 -9.756 0.158 1.00 0.00 C ATOM 1094 O SER A 75 -10.347 -8.879 -0.571 1.00 0.00 O ATOM 1095 CB SER A 75 -11.209 -11.496 1.371 1.00 0.00 C ATOM 1096 OG SER A 75 -12.019 -12.646 1.196 1.00 0.00 O ATOM 0 H SER A 75 -9.182 -12.757 0.741 1.00 0.00 H new ATOM 0 HA SER A 75 -11.072 -11.275 -0.763 1.00 0.00 H new ATOM 0 HB2 SER A 75 -10.523 -11.653 2.204 1.00 0.00 H new ATOM 0 HB3 SER A 75 -11.835 -10.642 1.630 1.00 0.00 H new ATOM 0 HG SER A 75 -12.516 -12.825 2.022 1.00 0.00 H new ATOM 1102 N ASP A 76 -8.905 -9.529 1.029 1.00 0.00 N ATOM 1103 CA ASP A 76 -8.308 -8.207 1.182 1.00 0.00 C ATOM 1104 C ASP A 76 -8.140 -7.527 -0.173 1.00 0.00 C ATOM 1105 O ASP A 76 -8.449 -6.346 -0.328 1.00 0.00 O ATOM 1106 CB ASP A 76 -6.954 -8.314 1.885 1.00 0.00 C ATOM 1107 CG ASP A 76 -7.071 -8.887 3.283 1.00 0.00 C ATOM 1108 OD1 ASP A 76 -7.542 -10.036 3.416 1.00 0.00 O ATOM 1109 OD2 ASP A 76 -6.692 -8.187 4.246 1.00 0.00 O ATOM 0 H ASP A 76 -8.509 -10.243 1.640 1.00 0.00 H new ATOM 0 HA ASP A 76 -8.978 -7.601 1.792 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -6.289 -8.942 1.293 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -6.496 -7.326 1.938 1.00 0.00 H new ATOM 1114 N ALA A 77 -7.647 -8.281 -1.151 1.00 0.00 N ATOM 1115 CA ALA A 77 -7.439 -7.751 -2.492 1.00 0.00 C ATOM 1116 C ALA A 77 -8.701 -7.075 -3.018 1.00 0.00 C ATOM 1117 O ALA A 77 -9.750 -7.706 -3.139 1.00 0.00 O ATOM 1118 CB ALA A 77 -7.001 -8.861 -3.436 1.00 0.00 C ATOM 0 H ALA A 77 -7.385 -9.260 -1.039 1.00 0.00 H new ATOM 0 HA ALA A 77 -6.651 -7.000 -2.440 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -6.849 -8.451 -4.434 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -6.069 -9.297 -3.077 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -7.771 -9.632 -3.474 1.00 0.00 H new ATOM 1124 N GLY A 78 -8.591 -5.787 -3.329 1.00 0.00 N ATOM 1125 CA GLY A 78 -9.732 -5.047 -3.837 1.00 0.00 C ATOM 1126 C GLY A 78 -9.369 -3.634 -4.249 1.00 0.00 C ATOM 1127 O GLY A 78 -9.445 -3.285 -5.426 1.00 0.00 O ATOM 0 H GLY A 78 -7.733 -5.243 -3.238 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -10.152 -5.575 -4.693 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -10.508 -5.011 -3.072 1.00 0.00 H new ATOM 1131 N GLU A 79 -8.976 -2.818 -3.275 1.00 0.00 N ATOM 1132 CA GLU A 79 -8.603 -1.434 -3.543 1.00 0.00 C ATOM 1133 C GLU A 79 -7.729 -0.880 -2.422 1.00 0.00 C ATOM 1134 O GLU A 79 -7.977 -1.132 -1.243 1.00 0.00 O ATOM 1135 CB GLU A 79 -9.854 -0.568 -3.705 1.00 0.00 C ATOM 1136 CG GLU A 79 -9.590 0.759 -4.396 1.00 0.00 C ATOM 1137 CD GLU A 79 -10.854 1.394 -4.943 1.00 0.00 C ATOM 1138 OE1 GLU A 79 -11.786 0.645 -5.304 1.00 0.00 O ATOM 1139 OE2 GLU A 79 -10.911 2.639 -5.010 1.00 0.00 O ATOM 0 H GLU A 79 -8.908 -3.091 -2.295 1.00 0.00 H new ATOM 0 HA GLU A 79 -8.032 -1.411 -4.471 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -10.599 -1.123 -4.275 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -10.283 -0.377 -2.721 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -9.120 1.444 -3.691 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -8.883 0.605 -5.211 1.00 0.00 H new ATOM 1146 N VAL A 80 -6.703 -0.123 -2.799 1.00 0.00 N ATOM 1147 CA VAL A 80 -5.792 0.469 -1.827 1.00 0.00 C ATOM 1148 C VAL A 80 -5.763 1.988 -1.954 1.00 0.00 C ATOM 1149 O VAL A 80 -5.124 2.534 -2.853 1.00 0.00 O ATOM 1150 CB VAL A 80 -4.361 -0.077 -1.995 1.00 0.00 C ATOM 1151 CG1 VAL A 80 -3.420 0.574 -0.992 1.00 0.00 C ATOM 1152 CG2 VAL A 80 -4.348 -1.591 -1.847 1.00 0.00 C ATOM 0 H VAL A 80 -6.482 0.095 -3.771 1.00 0.00 H new ATOM 0 HA VAL A 80 -6.163 0.198 -0.839 1.00 0.00 H new ATOM 0 HB VAL A 80 -4.011 0.170 -2.998 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -2.414 0.176 -1.126 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -3.408 1.652 -1.151 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -3.763 0.361 0.020 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -3.329 -1.960 -1.969 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -4.717 -1.863 -0.858 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -4.988 -2.037 -2.608 1.00 0.00 H new ATOM 1162 N VAL A 81 -6.458 2.665 -1.046 1.00 0.00 N ATOM 1163 CA VAL A 81 -6.512 4.122 -1.055 1.00 0.00 C ATOM 1164 C VAL A 81 -5.553 4.713 -0.027 1.00 0.00 C ATOM 1165 O VAL A 81 -5.570 4.334 1.144 1.00 0.00 O ATOM 1166 CB VAL A 81 -7.936 4.633 -0.766 1.00 0.00 C ATOM 1167 CG1 VAL A 81 -7.972 6.154 -0.787 1.00 0.00 C ATOM 1168 CG2 VAL A 81 -8.923 4.054 -1.768 1.00 0.00 C ATOM 0 H VAL A 81 -6.992 2.228 -0.295 1.00 0.00 H new ATOM 0 HA VAL A 81 -6.215 4.444 -2.053 1.00 0.00 H new ATOM 0 HB VAL A 81 -8.228 4.300 0.230 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -8.986 6.497 -0.581 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -7.295 6.544 -0.027 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -7.661 6.512 -1.768 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -9.924 4.426 -1.549 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -8.637 4.355 -2.776 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -8.916 2.966 -1.698 1.00 0.00 H new ATOM 1178 N PHE A 82 -4.717 5.645 -0.473 1.00 0.00 N ATOM 1179 CA PHE A 82 -3.750 6.290 0.407 1.00 0.00 C ATOM 1180 C PHE A 82 -3.983 7.797 0.461 1.00 0.00 C ATOM 1181 O PHE A 82 -3.801 8.500 -0.532 1.00 0.00 O ATOM 1182 CB PHE A 82 -2.324 5.999 -0.067 1.00 0.00 C ATOM 1183 CG PHE A 82 -1.333 7.056 0.331 1.00 0.00 C ATOM 1184 CD1 PHE A 82 -0.974 7.222 1.659 1.00 0.00 C ATOM 1185 CD2 PHE A 82 -0.762 7.882 -0.623 1.00 0.00 C ATOM 1186 CE1 PHE A 82 -0.062 8.193 2.028 1.00 0.00 C ATOM 1187 CE2 PHE A 82 0.151 8.854 -0.259 1.00 0.00 C ATOM 1188 CZ PHE A 82 0.500 9.011 1.068 1.00 0.00 C ATOM 0 H PHE A 82 -4.690 5.970 -1.439 1.00 0.00 H new ATOM 0 HA PHE A 82 -3.882 5.884 1.410 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -2.003 5.040 0.339 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -2.323 5.902 -1.153 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -1.412 6.586 2.414 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -1.033 7.765 -1.662 1.00 0.00 H new ATOM 0 HE1 PHE A 82 0.211 8.312 3.066 1.00 0.00 H new ATOM 0 HE2 PHE A 82 0.591 9.491 -1.012 1.00 0.00 H new ATOM 0 HZ PHE A 82 1.211 9.772 1.354 1.00 0.00 H new ATOM 1198 N SER A 83 -4.388 8.285 1.629 1.00 0.00 N ATOM 1199 CA SER A 83 -4.651 9.708 1.813 1.00 0.00 C ATOM 1200 C SER A 83 -3.616 10.336 2.742 1.00 0.00 C ATOM 1201 O SER A 83 -3.365 9.836 3.839 1.00 0.00 O ATOM 1202 CB SER A 83 -6.056 9.919 2.379 1.00 0.00 C ATOM 1203 OG SER A 83 -6.459 11.272 2.251 1.00 0.00 O ATOM 0 H SER A 83 -4.541 7.717 2.462 1.00 0.00 H new ATOM 0 HA SER A 83 -4.582 10.194 0.840 1.00 0.00 H new ATOM 0 HB2 SER A 83 -6.763 9.275 1.856 1.00 0.00 H new ATOM 0 HB3 SER A 83 -6.076 9.628 3.429 1.00 0.00 H new ATOM 0 HG SER A 83 -6.033 11.667 1.462 1.00 0.00 H new ATOM 1209 N VAL A 84 -3.018 11.435 2.294 1.00 0.00 N ATOM 1210 CA VAL A 84 -2.011 12.134 3.084 1.00 0.00 C ATOM 1211 C VAL A 84 -2.214 13.643 3.022 1.00 0.00 C ATOM 1212 O VAL A 84 -2.449 14.205 1.952 1.00 0.00 O ATOM 1213 CB VAL A 84 -0.587 11.798 2.602 1.00 0.00 C ATOM 1214 CG1 VAL A 84 -0.397 12.229 1.155 1.00 0.00 C ATOM 1215 CG2 VAL A 84 0.449 12.454 3.502 1.00 0.00 C ATOM 0 H VAL A 84 -3.213 11.861 1.388 1.00 0.00 H new ATOM 0 HA VAL A 84 -2.127 11.797 4.114 1.00 0.00 H new ATOM 0 HB VAL A 84 -0.450 10.718 2.656 1.00 0.00 H new ATOM 0 HG11 VAL A 84 0.615 11.984 0.832 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -1.116 11.708 0.523 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -0.553 13.305 1.072 1.00 0.00 H new ATOM 0 HG21 VAL A 84 1.449 12.206 3.147 1.00 0.00 H new ATOM 0 HG22 VAL A 84 0.315 13.536 3.483 1.00 0.00 H new ATOM 0 HG23 VAL A 84 0.326 12.091 4.523 1.00 0.00 H new ATOM 1225 N ARG A 85 -2.120 14.295 4.176 1.00 0.00 N ATOM 1226 CA ARG A 85 -2.294 15.740 4.254 1.00 0.00 C ATOM 1227 C ARG A 85 -3.306 16.223 3.219 1.00 0.00 C ATOM 1228 O ARG A 85 -3.167 17.309 2.658 1.00 0.00 O ATOM 1229 CB ARG A 85 -0.955 16.449 4.042 1.00 0.00 C ATOM 1230 CG ARG A 85 -0.236 16.024 2.772 1.00 0.00 C ATOM 1231 CD ARG A 85 -0.844 16.678 1.542 1.00 0.00 C ATOM 1232 NE ARG A 85 -1.049 18.112 1.729 1.00 0.00 N ATOM 1233 CZ ARG A 85 -1.873 18.840 0.984 1.00 0.00 C ATOM 1234 NH1 ARG A 85 -2.567 18.271 0.008 1.00 0.00 N ATOM 1235 NH2 ARG A 85 -2.006 20.140 1.215 1.00 0.00 N ATOM 0 H ARG A 85 -1.924 13.845 5.070 1.00 0.00 H new ATOM 0 HA ARG A 85 -2.672 15.981 5.247 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -1.124 17.525 4.011 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -0.310 16.252 4.898 1.00 0.00 H new ATOM 0 HG2 ARG A 85 0.819 16.290 2.843 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -0.285 14.940 2.671 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -0.192 16.514 0.684 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -1.798 16.202 1.313 1.00 0.00 H new ATOM 0 HE ARG A 85 -0.531 18.580 2.473 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -2.469 17.272 -0.172 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -3.199 18.832 -0.563 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -1.475 20.582 1.966 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -2.639 20.698 0.642 1.00 0.00 H new ATOM 1249 N GLY A 86 -4.326 15.406 2.970 1.00 0.00 N ATOM 1250 CA GLY A 86 -5.346 15.766 2.003 1.00 0.00 C ATOM 1251 C GLY A 86 -5.319 14.878 0.774 1.00 0.00 C ATOM 1252 O GLY A 86 -6.313 14.229 0.446 1.00 0.00 O ATOM 0 H GLY A 86 -4.463 14.502 3.421 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -6.327 15.701 2.473 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -5.206 16.804 1.701 1.00 0.00 H new ATOM 1256 N LEU A 87 -4.179 14.850 0.092 1.00 0.00 N ATOM 1257 CA LEU A 87 -4.027 14.036 -1.109 1.00 0.00 C ATOM 1258 C LEU A 87 -4.700 12.678 -0.936 1.00 0.00 C ATOM 1259 O LEU A 87 -4.975 12.247 0.185 1.00 0.00 O ATOM 1260 CB LEU A 87 -2.545 13.846 -1.435 1.00 0.00 C ATOM 1261 CG LEU A 87 -1.843 15.038 -2.087 1.00 0.00 C ATOM 1262 CD1 LEU A 87 -0.333 14.876 -2.007 1.00 0.00 C ATOM 1263 CD2 LEU A 87 -2.288 15.193 -3.534 1.00 0.00 C ATOM 0 H LEU A 87 -3.347 15.381 0.350 1.00 0.00 H new ATOM 0 HA LEU A 87 -4.511 14.557 -1.935 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -2.019 13.600 -0.512 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -2.447 12.985 -2.097 1.00 0.00 H new ATOM 0 HG LEU A 87 -2.121 15.941 -1.544 1.00 0.00 H new ATOM 0 HD11 LEU A 87 0.150 15.733 -2.476 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -0.029 14.814 -0.962 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -0.037 13.964 -2.526 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -1.778 16.046 -3.982 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -2.040 14.289 -4.090 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -3.365 15.355 -3.568 1.00 0.00 H new ATOM 1275 N THR A 88 -4.960 12.005 -2.053 1.00 0.00 N ATOM 1276 CA THR A 88 -5.599 10.696 -2.025 1.00 0.00 C ATOM 1277 C THR A 88 -5.378 9.948 -3.335 1.00 0.00 C ATOM 1278 O THR A 88 -5.711 10.448 -4.409 1.00 0.00 O ATOM 1279 CB THR A 88 -7.113 10.815 -1.763 1.00 0.00 C ATOM 1280 OG1 THR A 88 -7.363 11.830 -0.785 1.00 0.00 O ATOM 1281 CG2 THR A 88 -7.685 9.489 -1.284 1.00 0.00 C ATOM 0 H THR A 88 -4.737 12.346 -2.988 1.00 0.00 H new ATOM 0 HA THR A 88 -5.140 10.138 -1.209 1.00 0.00 H new ATOM 0 HB THR A 88 -7.601 11.086 -2.699 1.00 0.00 H new ATOM 0 HG1 THR A 88 -8.327 11.900 -0.625 1.00 0.00 H new ATOM 0 HG21 THR A 88 -8.755 9.597 -1.106 1.00 0.00 H new ATOM 0 HG22 THR A 88 -7.519 8.726 -2.044 1.00 0.00 H new ATOM 0 HG23 THR A 88 -7.191 9.193 -0.359 1.00 0.00 H new ATOM 1289 N SER A 89 -4.816 8.748 -3.238 1.00 0.00 N ATOM 1290 CA SER A 89 -4.548 7.932 -4.417 1.00 0.00 C ATOM 1291 C SER A 89 -5.343 6.631 -4.369 1.00 0.00 C ATOM 1292 O SER A 89 -5.912 6.274 -3.337 1.00 0.00 O ATOM 1293 CB SER A 89 -3.053 7.626 -4.522 1.00 0.00 C ATOM 1294 OG SER A 89 -2.554 7.096 -3.306 1.00 0.00 O ATOM 0 H SER A 89 -4.537 8.319 -2.356 1.00 0.00 H new ATOM 0 HA SER A 89 -4.859 8.495 -5.297 1.00 0.00 H new ATOM 0 HB2 SER A 89 -2.880 6.915 -5.330 1.00 0.00 H new ATOM 0 HB3 SER A 89 -2.509 8.536 -4.776 1.00 0.00 H new ATOM 0 HG SER A 89 -1.597 6.908 -3.400 1.00 0.00 H new ATOM 1300 N LYS A 90 -5.378 5.925 -5.495 1.00 0.00 N ATOM 1301 CA LYS A 90 -6.102 4.663 -5.584 1.00 0.00 C ATOM 1302 C LYS A 90 -5.271 3.610 -6.311 1.00 0.00 C ATOM 1303 O LYS A 90 -4.419 3.939 -7.136 1.00 0.00 O ATOM 1304 CB LYS A 90 -7.435 4.865 -6.308 1.00 0.00 C ATOM 1305 CG LYS A 90 -8.403 5.765 -5.560 1.00 0.00 C ATOM 1306 CD LYS A 90 -9.409 6.406 -6.502 1.00 0.00 C ATOM 1307 CE LYS A 90 -10.651 6.872 -5.757 1.00 0.00 C ATOM 1308 NZ LYS A 90 -11.559 5.739 -5.429 1.00 0.00 N ATOM 0 H LYS A 90 -4.913 6.206 -6.358 1.00 0.00 H new ATOM 0 HA LYS A 90 -6.296 4.312 -4.570 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -7.243 5.291 -7.293 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -7.904 3.894 -6.467 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -8.930 5.184 -4.803 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -7.847 6.542 -5.036 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -8.947 7.254 -7.007 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -9.693 5.691 -7.274 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -10.355 7.378 -4.838 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -11.186 7.602 -6.364 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -12.014 5.913 -4.510 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -12.288 5.654 -6.166 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -11.010 4.857 -5.382 1.00 0.00 H new ATOM 1322 N ALA A 91 -5.526 2.343 -6.000 1.00 0.00 N ATOM 1323 CA ALA A 91 -4.804 1.243 -6.626 1.00 0.00 C ATOM 1324 C ALA A 91 -5.592 -0.059 -6.525 1.00 0.00 C ATOM 1325 O ALA A 91 -6.609 -0.128 -5.834 1.00 0.00 O ATOM 1326 CB ALA A 91 -3.432 1.081 -5.989 1.00 0.00 C ATOM 0 H ALA A 91 -6.227 2.054 -5.318 1.00 0.00 H new ATOM 0 HA ALA A 91 -4.677 1.480 -7.682 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -2.904 0.256 -6.467 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -2.860 2.000 -6.118 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -3.547 0.871 -4.926 1.00 0.00 H new ATOM 1332 N SER A 92 -5.117 -1.088 -7.219 1.00 0.00 N ATOM 1333 CA SER A 92 -5.781 -2.387 -7.211 1.00 0.00 C ATOM 1334 C SER A 92 -4.832 -3.478 -6.724 1.00 0.00 C ATOM 1335 O SER A 92 -3.766 -3.694 -7.302 1.00 0.00 O ATOM 1336 CB SER A 92 -6.295 -2.729 -8.610 1.00 0.00 C ATOM 1337 OG SER A 92 -7.593 -2.200 -8.820 1.00 0.00 O ATOM 0 H SER A 92 -4.275 -1.048 -7.794 1.00 0.00 H new ATOM 0 HA SER A 92 -6.626 -2.332 -6.525 1.00 0.00 H new ATOM 0 HB2 SER A 92 -5.611 -2.331 -9.360 1.00 0.00 H new ATOM 0 HB3 SER A 92 -6.315 -3.811 -8.739 1.00 0.00 H new ATOM 0 HG SER A 92 -7.898 -2.431 -9.722 1.00 0.00 H new ATOM 1343 N LEU A 93 -5.228 -4.165 -5.658 1.00 0.00 N ATOM 1344 CA LEU A 93 -4.415 -5.235 -5.092 1.00 0.00 C ATOM 1345 C LEU A 93 -4.964 -6.603 -5.484 1.00 0.00 C ATOM 1346 O LEU A 93 -6.157 -6.870 -5.333 1.00 0.00 O ATOM 1347 CB LEU A 93 -4.363 -5.111 -3.568 1.00 0.00 C ATOM 1348 CG LEU A 93 -3.783 -6.311 -2.817 1.00 0.00 C ATOM 1349 CD1 LEU A 93 -2.285 -6.415 -3.052 1.00 0.00 C ATOM 1350 CD2 LEU A 93 -4.085 -6.204 -1.329 1.00 0.00 C ATOM 0 H LEU A 93 -6.107 -4.000 -5.168 1.00 0.00 H new ATOM 0 HA LEU A 93 -3.406 -5.141 -5.493 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -3.774 -4.230 -3.315 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -5.375 -4.933 -3.203 1.00 0.00 H new ATOM 0 HG LEU A 93 -4.253 -7.217 -3.200 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -1.890 -7.274 -2.510 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -2.092 -6.538 -4.118 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -1.797 -5.507 -2.697 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -3.665 -7.066 -0.810 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -3.642 -5.290 -0.933 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -5.164 -6.179 -1.178 1.00 0.00 H new ATOM 1362 N ILE A 94 -4.087 -7.465 -5.986 1.00 0.00 N ATOM 1363 CA ILE A 94 -4.485 -8.806 -6.396 1.00 0.00 C ATOM 1364 C ILE A 94 -3.804 -9.868 -5.539 1.00 0.00 C ATOM 1365 O ILE A 94 -2.615 -9.767 -5.235 1.00 0.00 O ATOM 1366 CB ILE A 94 -4.149 -9.065 -7.877 1.00 0.00 C ATOM 1367 CG1 ILE A 94 -4.897 -8.075 -8.773 1.00 0.00 C ATOM 1368 CG2 ILE A 94 -4.495 -10.497 -8.257 1.00 0.00 C ATOM 1369 CD1 ILE A 94 -4.273 -7.907 -10.140 1.00 0.00 C ATOM 0 H ILE A 94 -3.097 -7.259 -6.119 1.00 0.00 H new ATOM 0 HA ILE A 94 -5.565 -8.870 -6.260 1.00 0.00 H new ATOM 0 HB ILE A 94 -3.078 -8.920 -8.022 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -5.927 -8.411 -8.892 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -4.933 -7.105 -8.277 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -4.252 -10.664 -9.306 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -3.922 -11.187 -7.637 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -5.560 -10.668 -8.100 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -4.855 -7.191 -10.720 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -3.252 -7.541 -10.031 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -4.261 -8.868 -10.655 1.00 0.00 H new ATOM 1381 N VAL A 95 -4.564 -10.888 -5.155 1.00 0.00 N ATOM 1382 CA VAL A 95 -4.034 -11.971 -4.335 1.00 0.00 C ATOM 1383 C VAL A 95 -4.559 -13.323 -4.805 1.00 0.00 C ATOM 1384 O VAL A 95 -5.739 -13.633 -4.642 1.00 0.00 O ATOM 1385 CB VAL A 95 -4.395 -11.780 -2.850 1.00 0.00 C ATOM 1386 CG1 VAL A 95 -3.975 -12.995 -2.038 1.00 0.00 C ATOM 1387 CG2 VAL A 95 -3.751 -10.514 -2.304 1.00 0.00 C ATOM 0 H VAL A 95 -5.549 -10.987 -5.399 1.00 0.00 H new ATOM 0 HA VAL A 95 -2.950 -11.948 -4.443 1.00 0.00 H new ATOM 0 HB VAL A 95 -5.477 -11.674 -2.767 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -4.238 -12.842 -0.991 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -4.488 -13.880 -2.415 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -2.898 -13.136 -2.124 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -4.017 -10.395 -1.254 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -2.668 -10.587 -2.398 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -4.107 -9.652 -2.868 1.00 0.00 H new ATOM 1397 N ARG A 96 -3.674 -14.125 -5.388 1.00 0.00 N ATOM 1398 CA ARG A 96 -4.048 -15.445 -5.882 1.00 0.00 C ATOM 1399 C ARG A 96 -3.897 -16.498 -4.788 1.00 0.00 C ATOM 1400 O ARG A 96 -2.831 -16.636 -4.190 1.00 0.00 O ATOM 1401 CB ARG A 96 -3.189 -15.822 -7.091 1.00 0.00 C ATOM 1402 CG ARG A 96 -3.470 -14.981 -8.325 1.00 0.00 C ATOM 1403 CD ARG A 96 -4.793 -15.361 -8.969 1.00 0.00 C ATOM 1404 NE ARG A 96 -4.728 -16.664 -9.625 1.00 0.00 N ATOM 1405 CZ ARG A 96 -5.785 -17.281 -10.142 1.00 0.00 C ATOM 1406 NH1 ARG A 96 -6.983 -16.715 -10.080 1.00 0.00 N ATOM 1407 NH2 ARG A 96 -5.646 -18.466 -10.722 1.00 0.00 N ATOM 0 H ARG A 96 -2.693 -13.884 -5.530 1.00 0.00 H new ATOM 0 HA ARG A 96 -5.094 -15.409 -6.185 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -2.137 -15.720 -6.824 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -3.357 -16.872 -7.332 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -3.487 -13.926 -8.051 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -2.663 -15.110 -9.046 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -5.575 -15.376 -8.210 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -5.072 -14.601 -9.699 1.00 0.00 H new ATOM 0 HE ARG A 96 -3.821 -17.126 -9.690 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -7.094 -15.804 -9.635 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -7.793 -17.191 -10.478 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -4.727 -18.905 -10.772 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -6.459 -18.938 -11.118 1.00 0.00 H new ATOM 1421 N GLU A 97 -4.973 -17.236 -4.533 1.00 0.00 N ATOM 1422 CA GLU A 97 -4.960 -18.275 -3.510 1.00 0.00 C ATOM 1423 C GLU A 97 -3.803 -19.245 -3.735 1.00 0.00 C ATOM 1424 O GLU A 97 -3.321 -19.405 -4.856 1.00 0.00 O ATOM 1425 CB GLU A 97 -6.286 -19.038 -3.509 1.00 0.00 C ATOM 1426 CG GLU A 97 -6.492 -19.903 -4.742 1.00 0.00 C ATOM 1427 CD GLU A 97 -7.900 -20.456 -4.838 1.00 0.00 C ATOM 1428 OE1 GLU A 97 -8.858 -19.666 -4.702 1.00 0.00 O ATOM 1429 OE2 GLU A 97 -8.045 -21.679 -5.048 1.00 0.00 O ATOM 0 H GLU A 97 -5.863 -17.134 -5.020 1.00 0.00 H new ATOM 0 HA GLU A 97 -4.826 -17.794 -2.541 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -6.332 -19.669 -2.621 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -7.106 -18.324 -3.435 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -6.275 -19.315 -5.634 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -5.782 -20.729 -4.724 1.00 0.00 H new ATOM 1436 N ARG A 98 -3.362 -19.890 -2.659 1.00 0.00 N ATOM 1437 CA ARG A 98 -2.261 -20.842 -2.738 1.00 0.00 C ATOM 1438 C ARG A 98 -2.763 -22.220 -3.159 1.00 0.00 C ATOM 1439 O ARG A 98 -3.667 -22.779 -2.538 1.00 0.00 O ATOM 1440 CB ARG A 98 -1.545 -20.939 -1.389 1.00 0.00 C ATOM 1441 CG ARG A 98 -0.075 -21.306 -1.505 1.00 0.00 C ATOM 1442 CD ARG A 98 0.731 -20.750 -0.341 1.00 0.00 C ATOM 1443 NE ARG A 98 2.161 -20.707 -0.637 1.00 0.00 N ATOM 1444 CZ ARG A 98 3.100 -20.566 0.292 1.00 0.00 C ATOM 1445 NH1 ARG A 98 2.761 -20.454 1.569 1.00 0.00 N ATOM 1446 NH2 ARG A 98 4.380 -20.536 -0.055 1.00 0.00 N ATOM 0 H ARG A 98 -3.750 -19.770 -1.723 1.00 0.00 H new ATOM 0 HA ARG A 98 -1.558 -20.485 -3.490 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -1.633 -19.984 -0.871 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -2.049 -21.683 -0.772 1.00 0.00 H new ATOM 0 HG2 ARG A 98 0.029 -22.391 -1.536 1.00 0.00 H new ATOM 0 HG3 ARG A 98 0.325 -20.920 -2.443 1.00 0.00 H new ATOM 0 HD2 ARG A 98 0.380 -19.746 -0.103 1.00 0.00 H new ATOM 0 HD3 ARG A 98 0.562 -21.364 0.543 1.00 0.00 H new ATOM 0 HE ARG A 98 2.454 -20.790 -1.610 1.00 0.00 H new ATOM 0 HH11 ARG A 98 1.778 -20.476 1.839 1.00 0.00 H new ATOM 0 HH12 ARG A 98 3.483 -20.346 2.281 1.00 0.00 H new ATOM 0 HH21 ARG A 98 4.644 -20.621 -1.036 1.00 0.00 H new ATOM 0 HH22 ARG A 98 5.100 -20.428 0.660 1.00 0.00 H new ATOM 1460 N SER A 99 -2.171 -22.762 -4.219 1.00 0.00 N ATOM 1461 CA SER A 99 -2.560 -24.072 -4.726 1.00 0.00 C ATOM 1462 C SER A 99 -2.370 -25.146 -3.660 1.00 0.00 C ATOM 1463 O SER A 99 -1.370 -25.154 -2.943 1.00 0.00 O ATOM 1464 CB SER A 99 -1.744 -24.423 -5.972 1.00 0.00 C ATOM 1465 OG SER A 99 -2.480 -25.265 -6.843 1.00 0.00 O ATOM 0 H SER A 99 -1.420 -22.313 -4.743 1.00 0.00 H new ATOM 0 HA SER A 99 -3.616 -24.032 -4.992 1.00 0.00 H new ATOM 0 HB2 SER A 99 -1.463 -23.509 -6.496 1.00 0.00 H new ATOM 0 HB3 SER A 99 -0.819 -24.919 -5.677 1.00 0.00 H new ATOM 0 HG SER A 99 -1.938 -25.473 -7.632 1.00 0.00 H new ATOM 1471 N GLY A 100 -3.338 -26.052 -3.562 1.00 0.00 N ATOM 1472 CA GLY A 100 -3.260 -27.119 -2.581 1.00 0.00 C ATOM 1473 C GLY A 100 -4.626 -27.621 -2.160 1.00 0.00 C ATOM 1474 O GLY A 100 -5.196 -27.174 -1.164 1.00 0.00 O ATOM 0 H GLY A 100 -4.175 -26.066 -4.145 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -2.684 -27.947 -2.994 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -2.721 -26.762 -1.703 1.00 0.00 H new ATOM 1478 N PRO A 101 -5.175 -28.572 -2.930 1.00 0.00 N ATOM 1479 CA PRO A 101 -6.490 -29.156 -2.652 1.00 0.00 C ATOM 1480 C PRO A 101 -6.483 -30.033 -1.405 1.00 0.00 C ATOM 1481 O PRO A 101 -5.430 -30.296 -0.825 1.00 0.00 O ATOM 1482 CB PRO A 101 -6.775 -29.999 -3.897 1.00 0.00 C ATOM 1483 CG PRO A 101 -5.430 -30.332 -4.445 1.00 0.00 C ATOM 1484 CD PRO A 101 -4.552 -29.152 -4.133 1.00 0.00 C ATOM 0 HA PRO A 101 -7.242 -28.391 -2.457 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -7.334 -30.900 -3.645 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -7.372 -29.445 -4.622 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -5.038 -31.241 -3.990 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -5.479 -30.509 -5.519 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -3.522 -29.456 -3.946 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -4.529 -28.439 -4.957 1.00 0.00 H new ATOM 1492 N SER A 102 -7.666 -30.483 -0.997 1.00 0.00 N ATOM 1493 CA SER A 102 -7.796 -31.328 0.184 1.00 0.00 C ATOM 1494 C SER A 102 -8.224 -32.741 -0.203 1.00 0.00 C ATOM 1495 O SER A 102 -7.644 -33.725 0.255 1.00 0.00 O ATOM 1496 CB SER A 102 -8.808 -30.726 1.160 1.00 0.00 C ATOM 1497 OG SER A 102 -10.129 -30.840 0.659 1.00 0.00 O ATOM 0 H SER A 102 -8.547 -30.276 -1.467 1.00 0.00 H new ATOM 0 HA SER A 102 -6.822 -31.382 0.670 1.00 0.00 H new ATOM 0 HB2 SER A 102 -8.736 -31.233 2.122 1.00 0.00 H new ATOM 0 HB3 SER A 102 -8.571 -29.676 1.334 1.00 0.00 H new ATOM 0 HG SER A 102 -10.757 -30.450 1.302 1.00 0.00 H new ATOM 1503 N SER A 103 -9.244 -32.831 -1.050 1.00 0.00 N ATOM 1504 CA SER A 103 -9.754 -34.122 -1.497 1.00 0.00 C ATOM 1505 C SER A 103 -9.998 -34.118 -3.003 1.00 0.00 C ATOM 1506 O SER A 103 -9.851 -33.091 -3.665 1.00 0.00 O ATOM 1507 CB SER A 103 -11.050 -34.465 -0.760 1.00 0.00 C ATOM 1508 OG SER A 103 -11.315 -35.856 -0.815 1.00 0.00 O ATOM 0 H SER A 103 -9.733 -32.026 -1.440 1.00 0.00 H new ATOM 0 HA SER A 103 -9.004 -34.879 -1.270 1.00 0.00 H new ATOM 0 HB2 SER A 103 -10.976 -34.147 0.280 1.00 0.00 H new ATOM 0 HB3 SER A 103 -11.880 -33.916 -1.203 1.00 0.00 H new ATOM 0 HG SER A 103 -12.147 -36.050 -0.335 1.00 0.00 H new ATOM 1514 N GLY A 104 -10.373 -35.276 -3.539 1.00 0.00 N ATOM 1515 CA GLY A 104 -10.631 -35.386 -4.963 1.00 0.00 C ATOM 1516 C GLY A 104 -9.449 -35.950 -5.725 1.00 0.00 C ATOM 1517 O GLY A 104 -8.971 -37.043 -5.423 1.00 0.00 O ATOM 0 H GLY A 104 -10.503 -36.140 -3.012 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -11.500 -36.024 -5.123 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -10.880 -34.402 -5.361 1.00 0.00 H new TER 1521 GLY A 104