USER MOD reduce.3.24.130724 H: found=0, std=0, add=677, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 675 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 23 GLN :FLIP amide:sc= -0.146 F(o=-0.81,f=-0.15) USER MOD Set 1.2: A 72 GLN : amide:sc= 0 K(o=-0.15,f=-2) USER MOD Single : A 1 GLY N :NH3+ 178:sc= 0 (180deg=-0.00352) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot -60:sc= 0.113 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 THR OG1 : rot -22:sc= 0.594 USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 GLN : amide:sc= -0.0945 X(o=-0.094,f=0) USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 HIS : no HD1:sc= 0 X(o=0,f=-0.017) USER MOD Single : A 43 CYS SG : rot 180:sc= -1.23 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 ASN : amide:sc= -0.109 K(o=-0.11,f=-0.8) USER MOD Single : A 51 ASN :FLIP amide:sc= -1.02 F(o=-2!,f=-1) USER MOD Single : A 53 TYR OH : rot -54:sc= 0.856 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 THR OG1 : rot -40:sc= -0.547 USER MOD Single : A 63 GLN : amide:sc= -2.8 K(o=-2.8,f=-3.3) USER MOD Single : A 69 SER OG : rot 180:sc=4.12e-05 USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 82 CYS SG : rot 24:sc= 0.343 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 27.788 -21.908 -19.864 1.00 0.00 N ATOM 2 CA GLY A 1 27.726 -23.205 -20.512 1.00 0.00 C ATOM 3 C GLY A 1 26.402 -23.906 -20.280 1.00 0.00 C ATOM 4 O GLY A 1 26.368 -25.095 -19.963 1.00 0.00 O ATOM 0 H1 GLY A 1 28.724 -21.484 -20.024 1.00 0.00 H new ATOM 0 H2 GLY A 1 27.054 -21.286 -20.260 1.00 0.00 H new ATOM 0 H3 GLY A 1 27.630 -22.022 -18.842 1.00 0.00 H new ATOM 0 HA2 GLY A 1 27.885 -23.081 -21.583 1.00 0.00 H new ATOM 0 HA3 GLY A 1 28.536 -23.833 -20.140 1.00 0.00 H new ATOM 8 N SER A 2 25.308 -23.168 -20.438 1.00 0.00 N ATOM 9 CA SER A 2 23.975 -23.725 -20.239 1.00 0.00 C ATOM 10 C SER A 2 23.021 -23.256 -21.333 1.00 0.00 C ATOM 11 O SER A 2 23.202 -22.184 -21.911 1.00 0.00 O ATOM 12 CB SER A 2 23.432 -23.324 -18.866 1.00 0.00 C ATOM 13 OG SER A 2 24.312 -23.728 -17.832 1.00 0.00 O ATOM 0 H SER A 2 25.318 -22.183 -20.703 1.00 0.00 H new ATOM 0 HA SER A 2 24.051 -24.811 -20.289 1.00 0.00 H new ATOM 0 HB2 SER A 2 23.293 -22.244 -18.828 1.00 0.00 H new ATOM 0 HB3 SER A 2 22.453 -23.777 -18.712 1.00 0.00 H new ATOM 0 HG SER A 2 23.943 -23.459 -16.965 1.00 0.00 H new ATOM 19 N SER A 3 22.005 -24.065 -21.610 1.00 0.00 N ATOM 20 CA SER A 3 21.022 -23.735 -22.637 1.00 0.00 C ATOM 21 C SER A 3 19.692 -23.335 -22.008 1.00 0.00 C ATOM 22 O SER A 3 18.630 -23.792 -22.431 1.00 0.00 O ATOM 23 CB SER A 3 20.818 -24.925 -23.577 1.00 0.00 C ATOM 24 OG SER A 3 20.138 -24.532 -24.756 1.00 0.00 O ATOM 0 H SER A 3 21.840 -24.954 -21.138 1.00 0.00 H new ATOM 0 HA SER A 3 21.401 -22.889 -23.210 1.00 0.00 H new ATOM 0 HB2 SER A 3 21.784 -25.357 -23.837 1.00 0.00 H new ATOM 0 HB3 SER A 3 20.249 -25.702 -23.067 1.00 0.00 H new ATOM 0 HG SER A 3 19.261 -24.165 -24.521 1.00 0.00 H new ATOM 30 N GLY A 4 19.757 -22.479 -20.993 1.00 0.00 N ATOM 31 CA GLY A 4 18.551 -22.032 -20.320 1.00 0.00 C ATOM 32 C GLY A 4 18.548 -22.380 -18.845 1.00 0.00 C ATOM 33 O GLY A 4 18.879 -23.502 -18.465 1.00 0.00 O ATOM 0 H GLY A 4 20.623 -22.087 -20.624 1.00 0.00 H new ATOM 0 HA2 GLY A 4 18.453 -20.953 -20.436 1.00 0.00 H new ATOM 0 HA3 GLY A 4 17.682 -22.484 -20.799 1.00 0.00 H new ATOM 37 N SER A 5 18.171 -21.415 -18.011 1.00 0.00 N ATOM 38 CA SER A 5 18.130 -21.624 -16.570 1.00 0.00 C ATOM 39 C SER A 5 17.050 -22.634 -16.197 1.00 0.00 C ATOM 40 O SER A 5 15.881 -22.466 -16.544 1.00 0.00 O ATOM 41 CB SER A 5 17.874 -20.298 -15.848 1.00 0.00 C ATOM 42 OG SER A 5 18.140 -20.414 -14.461 1.00 0.00 O ATOM 0 H SER A 5 17.890 -20.481 -18.310 1.00 0.00 H new ATOM 0 HA SER A 5 19.097 -22.020 -16.258 1.00 0.00 H new ATOM 0 HB2 SER A 5 18.503 -19.519 -16.278 1.00 0.00 H new ATOM 0 HB3 SER A 5 16.839 -19.992 -15.999 1.00 0.00 H new ATOM 0 HG SER A 5 17.971 -19.554 -14.022 1.00 0.00 H new ATOM 48 N SER A 6 17.450 -23.685 -15.488 1.00 0.00 N ATOM 49 CA SER A 6 16.518 -24.726 -15.071 1.00 0.00 C ATOM 50 C SER A 6 15.954 -24.427 -13.686 1.00 0.00 C ATOM 51 O SER A 6 16.313 -25.076 -12.704 1.00 0.00 O ATOM 52 CB SER A 6 17.211 -26.090 -15.069 1.00 0.00 C ATOM 53 OG SER A 6 17.581 -26.476 -16.381 1.00 0.00 O ATOM 0 H SER A 6 18.414 -23.838 -15.190 1.00 0.00 H new ATOM 0 HA SER A 6 15.693 -24.747 -15.783 1.00 0.00 H new ATOM 0 HB2 SER A 6 18.097 -26.050 -14.435 1.00 0.00 H new ATOM 0 HB3 SER A 6 16.545 -26.839 -14.640 1.00 0.00 H new ATOM 0 HG SER A 6 18.023 -27.350 -16.352 1.00 0.00 H new ATOM 59 N GLY A 7 15.068 -23.438 -13.614 1.00 0.00 N ATOM 60 CA GLY A 7 14.468 -23.070 -12.344 1.00 0.00 C ATOM 61 C GLY A 7 14.376 -21.568 -12.162 1.00 0.00 C ATOM 62 O GLY A 7 14.313 -20.818 -13.137 1.00 0.00 O ATOM 0 H GLY A 7 14.755 -22.885 -14.412 1.00 0.00 H new ATOM 0 HA2 GLY A 7 13.470 -23.503 -12.278 1.00 0.00 H new ATOM 0 HA3 GLY A 7 15.055 -23.497 -11.531 1.00 0.00 H new ATOM 66 N LYS A 8 14.366 -21.125 -10.909 1.00 0.00 N ATOM 67 CA LYS A 8 14.281 -19.703 -10.600 1.00 0.00 C ATOM 68 C LYS A 8 14.727 -19.430 -9.166 1.00 0.00 C ATOM 69 O LYS A 8 14.482 -20.220 -8.254 1.00 0.00 O ATOM 70 CB LYS A 8 12.850 -19.201 -10.804 1.00 0.00 C ATOM 71 CG LYS A 8 11.791 -20.262 -10.555 1.00 0.00 C ATOM 72 CD LYS A 8 10.454 -19.640 -10.189 1.00 0.00 C ATOM 73 CE LYS A 8 10.348 -19.387 -8.692 1.00 0.00 C ATOM 74 NZ LYS A 8 9.858 -20.588 -7.961 1.00 0.00 N ATOM 0 H LYS A 8 14.416 -21.732 -10.090 1.00 0.00 H new ATOM 0 HA LYS A 8 14.947 -19.169 -11.277 1.00 0.00 H new ATOM 0 HB2 LYS A 8 12.671 -18.358 -10.137 1.00 0.00 H new ATOM 0 HB3 LYS A 8 12.746 -18.829 -11.823 1.00 0.00 H new ATOM 0 HG2 LYS A 8 11.675 -20.878 -11.447 1.00 0.00 H new ATOM 0 HG3 LYS A 8 12.118 -20.922 -9.752 1.00 0.00 H new ATOM 0 HD2 LYS A 8 10.329 -18.701 -10.728 1.00 0.00 H new ATOM 0 HD3 LYS A 8 9.646 -20.299 -10.506 1.00 0.00 H new ATOM 0 HE2 LYS A 8 11.324 -19.098 -8.302 1.00 0.00 H new ATOM 0 HE3 LYS A 8 9.672 -18.551 -8.512 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 9.799 -20.376 -6.945 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 8.916 -20.849 -8.315 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 10.516 -21.379 -8.112 1.00 0.00 H new ATOM 88 N PRO A 9 15.394 -18.286 -8.962 1.00 0.00 N ATOM 89 CA PRO A 9 15.886 -17.882 -7.641 1.00 0.00 C ATOM 90 C PRO A 9 14.754 -17.506 -6.691 1.00 0.00 C ATOM 91 O PRO A 9 13.705 -17.010 -7.103 1.00 0.00 O ATOM 92 CB PRO A 9 16.757 -16.660 -7.945 1.00 0.00 C ATOM 93 CG PRO A 9 16.209 -16.111 -9.217 1.00 0.00 C ATOM 94 CD PRO A 9 15.721 -17.296 -10.003 1.00 0.00 C ATOM 0 HA PRO A 9 16.420 -18.690 -7.141 1.00 0.00 H new ATOM 0 HB2 PRO A 9 16.703 -15.926 -7.141 1.00 0.00 H new ATOM 0 HB3 PRO A 9 17.805 -16.938 -8.053 1.00 0.00 H new ATOM 0 HG2 PRO A 9 15.397 -15.411 -9.022 1.00 0.00 H new ATOM 0 HG3 PRO A 9 16.975 -15.565 -9.768 1.00 0.00 H new ATOM 0 HD2 PRO A 9 14.849 -17.046 -10.607 1.00 0.00 H new ATOM 0 HD3 PRO A 9 16.485 -17.668 -10.685 1.00 0.00 H new ATOM 102 N PRO A 10 14.969 -17.745 -5.389 1.00 0.00 N ATOM 103 CA PRO A 10 13.978 -17.437 -4.353 1.00 0.00 C ATOM 104 C PRO A 10 13.799 -15.937 -4.148 1.00 0.00 C ATOM 105 O PRO A 10 14.732 -15.157 -4.347 1.00 0.00 O ATOM 106 CB PRO A 10 14.567 -18.082 -3.096 1.00 0.00 C ATOM 107 CG PRO A 10 16.035 -18.127 -3.347 1.00 0.00 C ATOM 108 CD PRO A 10 16.197 -18.333 -4.827 1.00 0.00 C ATOM 0 HA PRO A 10 12.987 -17.807 -4.615 1.00 0.00 H new ATOM 0 HB2 PRO A 10 14.335 -17.498 -2.205 1.00 0.00 H new ATOM 0 HB3 PRO A 10 14.162 -19.081 -2.936 1.00 0.00 H new ATOM 0 HG2 PRO A 10 16.514 -17.201 -3.027 1.00 0.00 H new ATOM 0 HG3 PRO A 10 16.502 -18.937 -2.787 1.00 0.00 H new ATOM 0 HD2 PRO A 10 17.090 -17.837 -5.206 1.00 0.00 H new ATOM 0 HD3 PRO A 10 16.288 -19.390 -5.078 1.00 0.00 H new ATOM 116 N THR A 11 12.595 -15.538 -3.750 1.00 0.00 N ATOM 117 CA THR A 11 12.294 -14.130 -3.520 1.00 0.00 C ATOM 118 C THR A 11 11.096 -13.969 -2.592 1.00 0.00 C ATOM 119 O THR A 11 9.966 -14.293 -2.958 1.00 0.00 O ATOM 120 CB THR A 11 12.008 -13.393 -4.842 1.00 0.00 C ATOM 121 OG1 THR A 11 13.092 -13.589 -5.757 1.00 0.00 O ATOM 122 CG2 THR A 11 11.806 -11.905 -4.598 1.00 0.00 C ATOM 0 H THR A 11 11.812 -16.170 -3.580 1.00 0.00 H new ATOM 0 HA THR A 11 13.175 -13.691 -3.052 1.00 0.00 H new ATOM 0 HB THR A 11 11.093 -13.803 -5.271 1.00 0.00 H new ATOM 0 HG1 THR A 11 13.902 -13.826 -5.259 1.00 0.00 H new ATOM 0 HG21 THR A 11 11.605 -11.405 -5.545 1.00 0.00 H new ATOM 0 HG22 THR A 11 10.962 -11.758 -3.924 1.00 0.00 H new ATOM 0 HG23 THR A 11 12.706 -11.484 -4.149 1.00 0.00 H new ATOM 130 N TYR A 12 11.349 -13.467 -1.389 1.00 0.00 N ATOM 131 CA TYR A 12 10.290 -13.265 -0.406 1.00 0.00 C ATOM 132 C TYR A 12 9.171 -12.403 -0.982 1.00 0.00 C ATOM 133 O TYR A 12 9.192 -11.179 -0.862 1.00 0.00 O ATOM 134 CB TYR A 12 10.856 -12.610 0.855 1.00 0.00 C ATOM 135 CG TYR A 12 10.117 -12.992 2.119 1.00 0.00 C ATOM 136 CD1 TYR A 12 8.870 -12.452 2.407 1.00 0.00 C ATOM 137 CD2 TYR A 12 10.666 -13.894 3.022 1.00 0.00 C ATOM 138 CE1 TYR A 12 8.192 -12.798 3.560 1.00 0.00 C ATOM 139 CE2 TYR A 12 9.994 -14.247 4.176 1.00 0.00 C ATOM 140 CZ TYR A 12 8.758 -13.696 4.441 1.00 0.00 C ATOM 141 OH TYR A 12 8.085 -14.044 5.591 1.00 0.00 O ATOM 0 H TYR A 12 12.278 -13.192 -1.070 1.00 0.00 H new ATOM 0 HA TYR A 12 9.877 -14.240 -0.147 1.00 0.00 H new ATOM 0 HB2 TYR A 12 11.905 -12.888 0.959 1.00 0.00 H new ATOM 0 HB3 TYR A 12 10.823 -11.527 0.738 1.00 0.00 H new ATOM 0 HD1 TYR A 12 8.423 -11.750 1.718 1.00 0.00 H new ATOM 0 HD2 TYR A 12 11.634 -14.326 2.818 1.00 0.00 H new ATOM 0 HE1 TYR A 12 7.224 -12.368 3.770 1.00 0.00 H new ATOM 0 HE2 TYR A 12 10.434 -14.951 4.867 1.00 0.00 H new ATOM 0 HH TYR A 12 8.620 -14.687 6.101 1.00 0.00 H new ATOM 151 N GLN A 13 8.195 -13.054 -1.607 1.00 0.00 N ATOM 152 CA GLN A 13 7.065 -12.347 -2.200 1.00 0.00 C ATOM 153 C GLN A 13 5.789 -12.591 -1.403 1.00 0.00 C ATOM 154 O GLN A 13 4.738 -12.028 -1.705 1.00 0.00 O ATOM 155 CB GLN A 13 6.867 -12.790 -3.652 1.00 0.00 C ATOM 156 CG GLN A 13 7.736 -12.035 -4.643 1.00 0.00 C ATOM 157 CD GLN A 13 7.048 -10.807 -5.206 1.00 0.00 C ATOM 158 OE1 GLN A 13 6.515 -10.834 -6.316 1.00 0.00 O ATOM 159 NE2 GLN A 13 7.056 -9.721 -4.441 1.00 0.00 N ATOM 0 H GLN A 13 8.164 -14.068 -1.716 1.00 0.00 H new ATOM 0 HA GLN A 13 7.284 -11.280 -2.178 1.00 0.00 H new ATOM 0 HB2 GLN A 13 7.083 -13.855 -3.730 1.00 0.00 H new ATOM 0 HB3 GLN A 13 5.820 -12.656 -3.924 1.00 0.00 H new ATOM 0 HG2 GLN A 13 8.662 -11.735 -4.153 1.00 0.00 H new ATOM 0 HG3 GLN A 13 8.009 -12.701 -5.462 1.00 0.00 H new ATOM 0 HE21 GLN A 13 7.510 -9.744 -3.528 1.00 0.00 H new ATOM 0 HE22 GLN A 13 6.608 -8.864 -4.767 1.00 0.00 H new ATOM 168 N VAL A 14 5.889 -13.436 -0.380 1.00 0.00 N ATOM 169 CA VAL A 14 4.742 -13.755 0.463 1.00 0.00 C ATOM 170 C VAL A 14 4.525 -12.681 1.522 1.00 0.00 C ATOM 171 O VAL A 14 4.166 -12.981 2.662 1.00 0.00 O ATOM 172 CB VAL A 14 4.918 -15.117 1.157 1.00 0.00 C ATOM 173 CG1 VAL A 14 3.600 -15.586 1.756 1.00 0.00 C ATOM 174 CG2 VAL A 14 5.465 -16.147 0.179 1.00 0.00 C ATOM 0 H VAL A 14 6.752 -13.911 -0.116 1.00 0.00 H new ATOM 0 HA VAL A 14 3.870 -13.799 -0.190 1.00 0.00 H new ATOM 0 HB VAL A 14 5.637 -15.001 1.968 1.00 0.00 H new ATOM 0 HG11 VAL A 14 3.744 -16.551 2.242 1.00 0.00 H new ATOM 0 HG12 VAL A 14 3.254 -14.858 2.490 1.00 0.00 H new ATOM 0 HG13 VAL A 14 2.856 -15.686 0.966 1.00 0.00 H new ATOM 0 HG21 VAL A 14 5.583 -17.104 0.687 1.00 0.00 H new ATOM 0 HG22 VAL A 14 4.772 -16.262 -0.654 1.00 0.00 H new ATOM 0 HG23 VAL A 14 6.432 -15.814 -0.197 1.00 0.00 H new ATOM 184 N LEU A 15 4.742 -11.426 1.140 1.00 0.00 N ATOM 185 CA LEU A 15 4.569 -10.306 2.058 1.00 0.00 C ATOM 186 C LEU A 15 3.128 -10.224 2.551 1.00 0.00 C ATOM 187 O LEU A 15 2.195 -10.575 1.831 1.00 0.00 O ATOM 188 CB LEU A 15 4.961 -8.996 1.373 1.00 0.00 C ATOM 189 CG LEU A 15 6.436 -8.849 0.998 1.00 0.00 C ATOM 190 CD1 LEU A 15 7.320 -9.049 2.220 1.00 0.00 C ATOM 191 CD2 LEU A 15 6.807 -9.836 -0.100 1.00 0.00 C ATOM 0 H LEU A 15 5.038 -11.160 0.201 1.00 0.00 H new ATOM 0 HA LEU A 15 5.219 -10.468 2.918 1.00 0.00 H new ATOM 0 HB2 LEU A 15 4.364 -8.891 0.467 1.00 0.00 H new ATOM 0 HB3 LEU A 15 4.690 -8.170 2.031 1.00 0.00 H new ATOM 0 HG LEU A 15 6.597 -7.839 0.621 1.00 0.00 H new ATOM 0 HD11 LEU A 15 8.366 -8.941 1.934 1.00 0.00 H new ATOM 0 HD12 LEU A 15 7.071 -8.303 2.975 1.00 0.00 H new ATOM 0 HD13 LEU A 15 7.157 -10.047 2.628 1.00 0.00 H new ATOM 0 HD21 LEU A 15 7.860 -9.718 -0.355 1.00 0.00 H new ATOM 0 HD22 LEU A 15 6.630 -10.853 0.250 1.00 0.00 H new ATOM 0 HD23 LEU A 15 6.197 -9.645 -0.983 1.00 0.00 H new ATOM 203 N GLU A 16 2.957 -9.756 3.785 1.00 0.00 N ATOM 204 CA GLU A 16 1.629 -9.627 4.373 1.00 0.00 C ATOM 205 C GLU A 16 1.095 -8.207 4.206 1.00 0.00 C ATOM 206 O GLU A 16 0.238 -7.760 4.970 1.00 0.00 O ATOM 207 CB GLU A 16 1.666 -9.999 5.857 1.00 0.00 C ATOM 208 CG GLU A 16 2.638 -9.160 6.670 1.00 0.00 C ATOM 209 CD GLU A 16 4.069 -9.648 6.552 1.00 0.00 C ATOM 210 OE1 GLU A 16 4.265 -10.856 6.306 1.00 0.00 O ATOM 211 OE2 GLU A 16 4.993 -8.821 6.707 1.00 0.00 O ATOM 0 H GLU A 16 3.720 -9.461 4.395 1.00 0.00 H new ATOM 0 HA GLU A 16 0.960 -10.311 3.851 1.00 0.00 H new ATOM 0 HB2 GLU A 16 0.666 -9.889 6.276 1.00 0.00 H new ATOM 0 HB3 GLU A 16 1.938 -11.050 5.953 1.00 0.00 H new ATOM 0 HG2 GLU A 16 2.583 -8.123 6.338 1.00 0.00 H new ATOM 0 HG3 GLU A 16 2.338 -9.176 7.718 1.00 0.00 H new ATOM 218 N TYR A 17 1.609 -7.503 3.204 1.00 0.00 N ATOM 219 CA TYR A 17 1.187 -6.133 2.938 1.00 0.00 C ATOM 220 C TYR A 17 -0.203 -6.102 2.309 1.00 0.00 C ATOM 221 O TYR A 17 -0.702 -7.119 1.829 1.00 0.00 O ATOM 222 CB TYR A 17 2.191 -5.437 2.017 1.00 0.00 C ATOM 223 CG TYR A 17 3.503 -5.107 2.691 1.00 0.00 C ATOM 224 CD1 TYR A 17 4.208 -6.074 3.396 1.00 0.00 C ATOM 225 CD2 TYR A 17 4.039 -3.827 2.622 1.00 0.00 C ATOM 226 CE1 TYR A 17 5.407 -5.777 4.015 1.00 0.00 C ATOM 227 CE2 TYR A 17 5.238 -3.520 3.236 1.00 0.00 C ATOM 228 CZ TYR A 17 5.918 -4.498 3.931 1.00 0.00 C ATOM 229 OH TYR A 17 7.112 -4.197 4.545 1.00 0.00 O ATOM 0 H TYR A 17 2.318 -7.858 2.563 1.00 0.00 H new ATOM 0 HA TYR A 17 1.147 -5.602 3.889 1.00 0.00 H new ATOM 0 HB2 TYR A 17 2.385 -6.076 1.156 1.00 0.00 H new ATOM 0 HB3 TYR A 17 1.746 -4.517 1.637 1.00 0.00 H new ATOM 0 HD1 TYR A 17 3.812 -7.077 3.462 1.00 0.00 H new ATOM 0 HD2 TYR A 17 3.509 -3.059 2.079 1.00 0.00 H new ATOM 0 HE1 TYR A 17 5.941 -6.541 4.561 1.00 0.00 H new ATOM 0 HE2 TYR A 17 5.640 -2.520 3.172 1.00 0.00 H new ATOM 0 HH TYR A 17 7.332 -3.255 4.389 1.00 0.00 H new ATOM 239 N GLY A 18 -0.823 -4.927 2.316 1.00 0.00 N ATOM 240 CA GLY A 18 -2.149 -4.783 1.744 1.00 0.00 C ATOM 241 C GLY A 18 -2.112 -4.558 0.245 1.00 0.00 C ATOM 242 O GLY A 18 -1.057 -4.271 -0.319 1.00 0.00 O ATOM 0 H GLY A 18 -0.431 -4.071 2.708 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -2.734 -5.677 1.960 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -2.659 -3.946 2.222 1.00 0.00 H new ATOM 246 N GLU A 19 -3.267 -4.688 -0.400 1.00 0.00 N ATOM 247 CA GLU A 19 -3.362 -4.500 -1.842 1.00 0.00 C ATOM 248 C GLU A 19 -4.317 -3.358 -2.180 1.00 0.00 C ATOM 249 O GLU A 19 -5.475 -3.360 -1.763 1.00 0.00 O ATOM 250 CB GLU A 19 -3.830 -5.789 -2.519 1.00 0.00 C ATOM 251 CG GLU A 19 -3.876 -5.699 -4.036 1.00 0.00 C ATOM 252 CD GLU A 19 -2.504 -5.825 -4.670 1.00 0.00 C ATOM 253 OE1 GLU A 19 -1.793 -6.802 -4.355 1.00 0.00 O ATOM 254 OE2 GLU A 19 -2.142 -4.947 -5.480 1.00 0.00 O ATOM 0 H GLU A 19 -4.150 -4.923 0.054 1.00 0.00 H new ATOM 0 HA GLU A 19 -2.370 -4.244 -2.215 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -3.164 -6.603 -2.232 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -4.823 -6.044 -2.148 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -4.525 -6.485 -4.423 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -4.320 -4.747 -4.326 1.00 0.00 H new ATOM 261 N ALA A 20 -3.823 -2.386 -2.939 1.00 0.00 N ATOM 262 CA ALA A 20 -4.633 -1.240 -3.335 1.00 0.00 C ATOM 263 C ALA A 20 -4.330 -0.823 -4.770 1.00 0.00 C ATOM 264 O ALA A 20 -3.169 -0.702 -5.161 1.00 0.00 O ATOM 265 CB ALA A 20 -4.398 -0.075 -2.385 1.00 0.00 C ATOM 0 H ALA A 20 -2.866 -2.369 -3.292 1.00 0.00 H new ATOM 0 HA ALA A 20 -5.682 -1.532 -3.283 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -5.009 0.774 -2.692 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -4.671 -0.371 -1.372 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -3.346 0.208 -2.409 1.00 0.00 H new ATOM 271 N VAL A 21 -5.381 -0.605 -5.553 1.00 0.00 N ATOM 272 CA VAL A 21 -5.228 -0.200 -6.945 1.00 0.00 C ATOM 273 C VAL A 21 -5.600 1.266 -7.137 1.00 0.00 C ATOM 274 O VAL A 21 -6.684 1.697 -6.748 1.00 0.00 O ATOM 275 CB VAL A 21 -6.096 -1.065 -7.879 1.00 0.00 C ATOM 276 CG1 VAL A 21 -6.117 -0.479 -9.284 1.00 0.00 C ATOM 277 CG2 VAL A 21 -5.592 -2.499 -7.899 1.00 0.00 C ATOM 0 H VAL A 21 -6.349 -0.702 -5.247 1.00 0.00 H new ATOM 0 HA VAL A 21 -4.178 -0.341 -7.201 1.00 0.00 H new ATOM 0 HB VAL A 21 -7.117 -1.068 -7.497 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -6.735 -1.103 -9.929 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -6.530 0.529 -9.252 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -5.101 -0.443 -9.678 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -6.217 -3.095 -8.564 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -4.562 -2.518 -8.256 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -5.635 -2.914 -6.892 1.00 0.00 H new ATOM 287 N ALA A 22 -4.692 2.027 -7.738 1.00 0.00 N ATOM 288 CA ALA A 22 -4.924 3.444 -7.984 1.00 0.00 C ATOM 289 C ALA A 22 -6.145 3.654 -8.874 1.00 0.00 C ATOM 290 O ALA A 22 -6.370 2.901 -9.820 1.00 0.00 O ATOM 291 CB ALA A 22 -3.694 4.081 -8.614 1.00 0.00 C ATOM 0 H ALA A 22 -3.788 1.685 -8.064 1.00 0.00 H new ATOM 0 HA ALA A 22 -5.117 3.926 -7.026 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -3.883 5.140 -8.792 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -2.843 3.972 -7.942 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -3.473 3.588 -9.561 1.00 0.00 H new ATOM 297 N GLN A 23 -6.929 4.682 -8.563 1.00 0.00 N ATOM 298 CA GLN A 23 -8.127 4.989 -9.335 1.00 0.00 C ATOM 299 C GLN A 23 -7.986 6.329 -10.049 1.00 0.00 C ATOM 300 O GLN A 23 -8.491 6.510 -11.156 1.00 0.00 O ATOM 301 CB GLN A 23 -9.356 5.010 -8.423 1.00 0.00 C ATOM 302 CG GLN A 23 -9.639 3.674 -7.754 1.00 0.00 C ATOM 303 CD GLN A 23 -9.904 2.566 -8.753 1.00 0.00 C ATOM 304 OE1 GLN A 23 -8.851 1.865 -9.154 1.00 0.00 O flip ATOM 305 NE2 GLN A 23 -11.045 2.340 -9.159 1.00 0.00 N flip ATOM 0 H GLN A 23 -6.756 5.315 -7.783 1.00 0.00 H new ATOM 0 HA GLN A 23 -8.254 4.210 -10.086 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -9.215 5.769 -7.654 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -10.227 5.306 -9.007 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -8.790 3.398 -7.128 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -10.501 3.777 -7.095 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -11.826 2.904 -8.824 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -11.208 1.589 -9.830 1.00 0.00 H new ATOM 314 N TYR A 24 -7.298 7.266 -9.406 1.00 0.00 N ATOM 315 CA TYR A 24 -7.093 8.592 -9.979 1.00 0.00 C ATOM 316 C TYR A 24 -5.622 8.990 -9.915 1.00 0.00 C ATOM 317 O TYR A 24 -4.936 8.729 -8.926 1.00 0.00 O ATOM 318 CB TYR A 24 -7.946 9.626 -9.242 1.00 0.00 C ATOM 319 CG TYR A 24 -9.415 9.271 -9.189 1.00 0.00 C ATOM 320 CD1 TYR A 24 -9.893 8.337 -8.278 1.00 0.00 C ATOM 321 CD2 TYR A 24 -10.326 9.871 -10.050 1.00 0.00 C ATOM 322 CE1 TYR A 24 -11.233 8.010 -8.227 1.00 0.00 C ATOM 323 CE2 TYR A 24 -11.670 9.552 -10.005 1.00 0.00 C ATOM 324 CZ TYR A 24 -12.118 8.621 -9.093 1.00 0.00 C ATOM 325 OH TYR A 24 -13.455 8.298 -9.044 1.00 0.00 O ATOM 0 H TYR A 24 -6.873 7.132 -8.488 1.00 0.00 H new ATOM 0 HA TYR A 24 -7.397 8.560 -11.025 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -7.570 9.736 -8.225 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -7.832 10.594 -9.730 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -9.204 7.858 -7.598 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -9.978 10.600 -10.767 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -11.587 7.280 -7.514 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -12.365 10.029 -10.680 1.00 0.00 H new ATOM 0 HH TYR A 24 -13.942 8.817 -9.718 1.00 0.00 H new ATOM 335 N THR A 25 -5.141 9.629 -10.978 1.00 0.00 N ATOM 336 CA THR A 25 -3.753 10.065 -11.045 1.00 0.00 C ATOM 337 C THR A 25 -3.494 11.223 -10.088 1.00 0.00 C ATOM 338 O THR A 25 -4.018 12.323 -10.272 1.00 0.00 O ATOM 339 CB THR A 25 -3.368 10.497 -12.472 1.00 0.00 C ATOM 340 OG1 THR A 25 -3.786 9.503 -13.415 1.00 0.00 O ATOM 341 CG2 THR A 25 -1.867 10.714 -12.587 1.00 0.00 C ATOM 0 H THR A 25 -5.694 9.856 -11.805 1.00 0.00 H new ATOM 0 HA THR A 25 -3.139 9.212 -10.754 1.00 0.00 H new ATOM 0 HB THR A 25 -3.872 11.439 -12.690 1.00 0.00 H new ATOM 0 HG1 THR A 25 -3.539 9.786 -14.320 1.00 0.00 H new ATOM 0 HG21 THR A 25 -1.620 11.018 -13.604 1.00 0.00 H new ATOM 0 HG22 THR A 25 -1.557 11.493 -11.890 1.00 0.00 H new ATOM 0 HG23 THR A 25 -1.346 9.786 -12.349 1.00 0.00 H new ATOM 349 N PHE A 26 -2.682 10.971 -9.067 1.00 0.00 N ATOM 350 CA PHE A 26 -2.353 11.993 -8.081 1.00 0.00 C ATOM 351 C PHE A 26 -1.019 12.657 -8.409 1.00 0.00 C ATOM 352 O PHE A 26 -0.260 12.170 -9.248 1.00 0.00 O ATOM 353 CB PHE A 26 -2.300 11.381 -6.679 1.00 0.00 C ATOM 354 CG PHE A 26 -1.998 12.381 -5.600 1.00 0.00 C ATOM 355 CD1 PHE A 26 -0.689 12.702 -5.281 1.00 0.00 C ATOM 356 CD2 PHE A 26 -3.024 13.000 -4.904 1.00 0.00 C ATOM 357 CE1 PHE A 26 -0.407 13.622 -4.288 1.00 0.00 C ATOM 358 CE2 PHE A 26 -2.750 13.922 -3.911 1.00 0.00 C ATOM 359 CZ PHE A 26 -1.439 14.232 -3.602 1.00 0.00 C ATOM 0 H PHE A 26 -2.239 10.067 -8.901 1.00 0.00 H new ATOM 0 HA PHE A 26 -3.133 12.753 -8.109 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -3.256 10.903 -6.463 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -1.541 10.599 -6.661 1.00 0.00 H new ATOM 0 HD1 PHE A 26 0.122 12.228 -5.814 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -4.050 12.759 -5.140 1.00 0.00 H new ATOM 0 HE1 PHE A 26 0.618 13.863 -4.049 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -3.559 14.399 -3.378 1.00 0.00 H new ATOM 0 HZ PHE A 26 -1.222 14.950 -2.825 1.00 0.00 H new ATOM 369 N LYS A 27 -0.740 13.771 -7.742 1.00 0.00 N ATOM 370 CA LYS A 27 0.503 14.503 -7.961 1.00 0.00 C ATOM 371 C LYS A 27 1.019 15.100 -6.655 1.00 0.00 C ATOM 372 O LYS A 27 0.276 15.750 -5.922 1.00 0.00 O ATOM 373 CB LYS A 27 0.290 15.614 -8.992 1.00 0.00 C ATOM 374 CG LYS A 27 1.525 16.460 -9.239 1.00 0.00 C ATOM 375 CD LYS A 27 2.458 15.807 -10.245 1.00 0.00 C ATOM 376 CE LYS A 27 3.809 16.505 -10.289 1.00 0.00 C ATOM 377 NZ LYS A 27 4.902 15.575 -10.684 1.00 0.00 N ATOM 0 H LYS A 27 -1.357 14.187 -7.045 1.00 0.00 H new ATOM 0 HA LYS A 27 1.247 13.802 -8.340 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -0.028 15.168 -9.934 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -0.521 16.260 -8.655 1.00 0.00 H new ATOM 0 HG2 LYS A 27 1.227 17.443 -9.603 1.00 0.00 H new ATOM 0 HG3 LYS A 27 2.054 16.616 -8.299 1.00 0.00 H new ATOM 0 HD2 LYS A 27 2.598 14.758 -9.985 1.00 0.00 H new ATOM 0 HD3 LYS A 27 2.002 15.832 -11.235 1.00 0.00 H new ATOM 0 HE2 LYS A 27 3.766 17.335 -10.994 1.00 0.00 H new ATOM 0 HE3 LYS A 27 4.030 16.930 -9.310 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 5.806 16.089 -10.702 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 4.960 14.796 -9.997 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 4.705 15.189 -11.629 1.00 0.00 H new ATOM 391 N GLY A 28 2.299 14.875 -6.373 1.00 0.00 N ATOM 392 CA GLY A 28 2.893 15.399 -5.157 1.00 0.00 C ATOM 393 C GLY A 28 4.349 15.778 -5.341 1.00 0.00 C ATOM 394 O GLY A 28 5.038 15.228 -6.201 1.00 0.00 O ATOM 0 H GLY A 28 2.935 14.340 -6.965 1.00 0.00 H new ATOM 0 HA2 GLY A 28 2.331 16.274 -4.830 1.00 0.00 H new ATOM 0 HA3 GLY A 28 2.812 14.654 -4.366 1.00 0.00 H new ATOM 398 N ASP A 29 4.820 16.720 -4.530 1.00 0.00 N ATOM 399 CA ASP A 29 6.204 17.173 -4.607 1.00 0.00 C ATOM 400 C ASP A 29 6.981 16.760 -3.362 1.00 0.00 C ATOM 401 O ASP A 29 8.162 16.420 -3.437 1.00 0.00 O ATOM 402 CB ASP A 29 6.257 18.692 -4.776 1.00 0.00 C ATOM 403 CG ASP A 29 5.107 19.223 -5.610 1.00 0.00 C ATOM 404 OD1 ASP A 29 4.575 18.458 -6.441 1.00 0.00 O ATOM 405 OD2 ASP A 29 4.739 20.403 -5.431 1.00 0.00 O ATOM 0 H ASP A 29 4.264 17.184 -3.812 1.00 0.00 H new ATOM 0 HA ASP A 29 6.667 16.702 -5.474 1.00 0.00 H new ATOM 0 HB2 ASP A 29 6.238 19.165 -3.794 1.00 0.00 H new ATOM 0 HB3 ASP A 29 7.201 18.970 -5.245 1.00 0.00 H new ATOM 410 N LEU A 30 6.311 16.792 -2.215 1.00 0.00 N ATOM 411 CA LEU A 30 6.938 16.421 -0.951 1.00 0.00 C ATOM 412 C LEU A 30 7.131 14.911 -0.860 1.00 0.00 C ATOM 413 O LEU A 30 6.469 14.149 -1.564 1.00 0.00 O ATOM 414 CB LEU A 30 6.089 16.909 0.225 1.00 0.00 C ATOM 415 CG LEU A 30 5.957 18.426 0.372 1.00 0.00 C ATOM 416 CD1 LEU A 30 5.082 18.996 -0.733 1.00 0.00 C ATOM 417 CD2 LEU A 30 5.391 18.781 1.740 1.00 0.00 C ATOM 0 H LEU A 30 5.333 17.071 -2.134 1.00 0.00 H new ATOM 0 HA LEU A 30 7.918 16.897 -0.907 1.00 0.00 H new ATOM 0 HB2 LEU A 30 5.090 16.485 0.127 1.00 0.00 H new ATOM 0 HB3 LEU A 30 6.515 16.510 1.146 1.00 0.00 H new ATOM 0 HG LEU A 30 6.949 18.868 0.285 1.00 0.00 H new ATOM 0 HD11 LEU A 30 5.000 20.076 -0.611 1.00 0.00 H new ATOM 0 HD12 LEU A 30 5.528 18.773 -1.702 1.00 0.00 H new ATOM 0 HD13 LEU A 30 4.090 18.548 -0.679 1.00 0.00 H new ATOM 0 HD21 LEU A 30 5.304 19.864 1.828 1.00 0.00 H new ATOM 0 HD22 LEU A 30 4.407 18.327 1.856 1.00 0.00 H new ATOM 0 HD23 LEU A 30 6.057 18.407 2.518 1.00 0.00 H new ATOM 429 N GLU A 31 8.039 14.487 0.012 1.00 0.00 N ATOM 430 CA GLU A 31 8.318 13.068 0.194 1.00 0.00 C ATOM 431 C GLU A 31 7.091 12.337 0.733 1.00 0.00 C ATOM 432 O GLU A 31 6.800 11.209 0.334 1.00 0.00 O ATOM 433 CB GLU A 31 9.498 12.874 1.149 1.00 0.00 C ATOM 434 CG GLU A 31 10.264 11.583 0.916 1.00 0.00 C ATOM 435 CD GLU A 31 11.633 11.591 1.568 1.00 0.00 C ATOM 436 OE1 GLU A 31 12.444 12.480 1.236 1.00 0.00 O ATOM 437 OE2 GLU A 31 11.892 10.707 2.412 1.00 0.00 O ATOM 0 H GLU A 31 8.594 15.106 0.603 1.00 0.00 H new ATOM 0 HA GLU A 31 8.574 12.648 -0.779 1.00 0.00 H new ATOM 0 HB2 GLU A 31 10.182 13.716 1.044 1.00 0.00 H new ATOM 0 HB3 GLU A 31 9.130 12.888 2.175 1.00 0.00 H new ATOM 0 HG2 GLU A 31 9.685 10.746 1.306 1.00 0.00 H new ATOM 0 HG3 GLU A 31 10.377 11.420 -0.156 1.00 0.00 H new ATOM 444 N VAL A 32 6.373 12.989 1.642 1.00 0.00 N ATOM 445 CA VAL A 32 5.177 12.404 2.236 1.00 0.00 C ATOM 446 C VAL A 32 4.077 12.227 1.194 1.00 0.00 C ATOM 447 O VAL A 32 3.363 11.225 1.195 1.00 0.00 O ATOM 448 CB VAL A 32 4.641 13.271 3.390 1.00 0.00 C ATOM 449 CG1 VAL A 32 5.611 13.260 4.562 1.00 0.00 C ATOM 450 CG2 VAL A 32 4.384 14.693 2.913 1.00 0.00 C ATOM 0 H VAL A 32 6.599 13.923 1.983 1.00 0.00 H new ATOM 0 HA VAL A 32 5.463 11.428 2.628 1.00 0.00 H new ATOM 0 HB VAL A 32 3.695 12.849 3.729 1.00 0.00 H new ATOM 0 HG11 VAL A 32 5.215 13.878 5.368 1.00 0.00 H new ATOM 0 HG12 VAL A 32 5.740 12.238 4.918 1.00 0.00 H new ATOM 0 HG13 VAL A 32 6.574 13.656 4.241 1.00 0.00 H new ATOM 0 HG21 VAL A 32 4.006 15.292 3.741 1.00 0.00 H new ATOM 0 HG22 VAL A 32 5.314 15.127 2.546 1.00 0.00 H new ATOM 0 HG23 VAL A 32 3.648 14.680 2.109 1.00 0.00 H new ATOM 460 N GLU A 33 3.947 13.208 0.307 1.00 0.00 N ATOM 461 CA GLU A 33 2.933 13.161 -0.741 1.00 0.00 C ATOM 462 C GLU A 33 3.355 12.219 -1.864 1.00 0.00 C ATOM 463 O GLU A 33 4.096 12.605 -2.769 1.00 0.00 O ATOM 464 CB GLU A 33 2.682 14.561 -1.302 1.00 0.00 C ATOM 465 CG GLU A 33 1.989 15.495 -0.323 1.00 0.00 C ATOM 466 CD GLU A 33 0.573 15.058 -0.004 1.00 0.00 C ATOM 467 OE1 GLU A 33 -0.136 14.616 -0.933 1.00 0.00 O ATOM 468 OE2 GLU A 33 0.171 15.158 1.174 1.00 0.00 O ATOM 0 H GLU A 33 4.530 14.045 0.293 1.00 0.00 H new ATOM 0 HA GLU A 33 2.010 12.783 -0.301 1.00 0.00 H new ATOM 0 HB2 GLU A 33 3.634 15.001 -1.598 1.00 0.00 H new ATOM 0 HB3 GLU A 33 2.075 14.478 -2.204 1.00 0.00 H new ATOM 0 HG2 GLU A 33 2.567 15.542 0.600 1.00 0.00 H new ATOM 0 HG3 GLU A 33 1.970 16.502 -0.739 1.00 0.00 H new ATOM 475 N LEU A 34 2.878 10.980 -1.800 1.00 0.00 N ATOM 476 CA LEU A 34 3.206 9.981 -2.812 1.00 0.00 C ATOM 477 C LEU A 34 2.201 10.017 -3.958 1.00 0.00 C ATOM 478 O LEU A 34 0.995 10.125 -3.738 1.00 0.00 O ATOM 479 CB LEU A 34 3.233 8.585 -2.186 1.00 0.00 C ATOM 480 CG LEU A 34 3.216 7.410 -3.167 1.00 0.00 C ATOM 481 CD1 LEU A 34 4.479 7.402 -4.012 1.00 0.00 C ATOM 482 CD2 LEU A 34 3.063 6.094 -2.418 1.00 0.00 C ATOM 0 H LEU A 34 2.263 10.644 -1.059 1.00 0.00 H new ATOM 0 HA LEU A 34 4.193 10.214 -3.212 1.00 0.00 H new ATOM 0 HB2 LEU A 34 4.126 8.503 -1.567 1.00 0.00 H new ATOM 0 HB3 LEU A 34 2.375 8.490 -1.521 1.00 0.00 H new ATOM 0 HG LEU A 34 2.361 7.528 -3.832 1.00 0.00 H new ATOM 0 HD11 LEU A 34 4.449 6.560 -4.703 1.00 0.00 H new ATOM 0 HD12 LEU A 34 4.545 8.332 -4.576 1.00 0.00 H new ATOM 0 HD13 LEU A 34 5.350 7.308 -3.363 1.00 0.00 H new ATOM 0 HD21 LEU A 34 3.053 5.269 -3.130 1.00 0.00 H new ATOM 0 HD22 LEU A 34 3.898 5.968 -1.729 1.00 0.00 H new ATOM 0 HD23 LEU A 34 2.128 6.101 -1.857 1.00 0.00 H new ATOM 494 N SER A 35 2.708 9.926 -5.184 1.00 0.00 N ATOM 495 CA SER A 35 1.855 9.950 -6.367 1.00 0.00 C ATOM 496 C SER A 35 1.796 8.574 -7.022 1.00 0.00 C ATOM 497 O SER A 35 2.580 7.683 -6.695 1.00 0.00 O ATOM 498 CB SER A 35 2.369 10.984 -7.371 1.00 0.00 C ATOM 499 OG SER A 35 3.661 10.640 -7.840 1.00 0.00 O ATOM 0 H SER A 35 3.704 9.835 -5.384 1.00 0.00 H new ATOM 0 HA SER A 35 0.849 10.227 -6.054 1.00 0.00 H new ATOM 0 HB2 SER A 35 1.679 11.053 -8.212 1.00 0.00 H new ATOM 0 HB3 SER A 35 2.399 11.968 -6.902 1.00 0.00 H new ATOM 0 HG SER A 35 3.967 11.315 -8.481 1.00 0.00 H new ATOM 505 N PHE A 36 0.859 8.407 -7.949 1.00 0.00 N ATOM 506 CA PHE A 36 0.694 7.139 -8.651 1.00 0.00 C ATOM 507 C PHE A 36 -0.184 7.312 -9.887 1.00 0.00 C ATOM 508 O PHE A 36 -0.879 8.317 -10.032 1.00 0.00 O ATOM 509 CB PHE A 36 0.082 6.092 -7.719 1.00 0.00 C ATOM 510 CG PHE A 36 -0.994 6.640 -6.826 1.00 0.00 C ATOM 511 CD1 PHE A 36 -2.194 7.084 -7.357 1.00 0.00 C ATOM 512 CD2 PHE A 36 -0.805 6.711 -5.455 1.00 0.00 C ATOM 513 CE1 PHE A 36 -3.186 7.588 -6.538 1.00 0.00 C ATOM 514 CE2 PHE A 36 -1.794 7.214 -4.631 1.00 0.00 C ATOM 515 CZ PHE A 36 -2.985 7.655 -5.173 1.00 0.00 C ATOM 0 H PHE A 36 0.202 9.134 -8.232 1.00 0.00 H new ATOM 0 HA PHE A 36 1.679 6.799 -8.971 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -0.332 5.281 -8.319 1.00 0.00 H new ATOM 0 HB3 PHE A 36 0.871 5.661 -7.102 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -2.356 7.036 -8.424 1.00 0.00 H new ATOM 0 HD2 PHE A 36 0.125 6.370 -5.026 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -4.118 7.929 -6.965 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -1.635 7.262 -3.564 1.00 0.00 H new ATOM 0 HZ PHE A 36 -3.758 8.051 -4.531 1.00 0.00 H new ATOM 525 N ARG A 37 -0.146 6.324 -10.776 1.00 0.00 N ATOM 526 CA ARG A 37 -0.936 6.366 -12.000 1.00 0.00 C ATOM 527 C ARG A 37 -2.092 5.374 -11.935 1.00 0.00 C ATOM 528 O ARG A 37 -1.890 4.182 -11.697 1.00 0.00 O ATOM 529 CB ARG A 37 -0.053 6.059 -13.212 1.00 0.00 C ATOM 530 CG ARG A 37 0.840 7.218 -13.623 1.00 0.00 C ATOM 531 CD ARG A 37 2.155 7.207 -12.859 1.00 0.00 C ATOM 532 NE ARG A 37 3.099 6.238 -13.409 1.00 0.00 N ATOM 533 CZ ARG A 37 3.758 6.419 -14.548 1.00 0.00 C ATOM 534 NH1 ARG A 37 3.575 7.527 -15.255 1.00 0.00 N ATOM 535 NH2 ARG A 37 4.601 5.491 -14.983 1.00 0.00 N ATOM 0 H ARG A 37 0.424 5.485 -10.671 1.00 0.00 H new ATOM 0 HA ARG A 37 -1.348 7.370 -12.103 1.00 0.00 H new ATOM 0 HB2 ARG A 37 0.570 5.193 -12.987 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -0.689 5.785 -14.054 1.00 0.00 H new ATOM 0 HG2 ARG A 37 1.039 7.163 -14.693 1.00 0.00 H new ATOM 0 HG3 ARG A 37 0.321 8.160 -13.443 1.00 0.00 H new ATOM 0 HD2 ARG A 37 2.599 8.202 -12.887 1.00 0.00 H new ATOM 0 HD3 ARG A 37 1.964 6.973 -11.812 1.00 0.00 H new ATOM 0 HE ARG A 37 3.261 5.375 -12.890 1.00 0.00 H new ATOM 0 HH11 ARG A 37 2.927 8.242 -14.924 1.00 0.00 H new ATOM 0 HH12 ARG A 37 4.082 7.664 -16.129 1.00 0.00 H new ATOM 0 HH21 ARG A 37 4.743 4.638 -14.443 1.00 0.00 H new ATOM 0 HH22 ARG A 37 5.107 5.631 -15.858 1.00 0.00 H new ATOM 549 N LYS A 38 -3.306 5.872 -12.148 1.00 0.00 N ATOM 550 CA LYS A 38 -4.495 5.029 -12.116 1.00 0.00 C ATOM 551 C LYS A 38 -4.204 3.652 -12.701 1.00 0.00 C ATOM 552 O LYS A 38 -3.704 3.535 -13.819 1.00 0.00 O ATOM 553 CB LYS A 38 -5.637 5.694 -12.890 1.00 0.00 C ATOM 554 CG LYS A 38 -6.870 4.818 -13.023 1.00 0.00 C ATOM 555 CD LYS A 38 -7.874 5.414 -13.996 1.00 0.00 C ATOM 556 CE LYS A 38 -9.279 4.894 -13.736 1.00 0.00 C ATOM 557 NZ LYS A 38 -10.261 5.434 -14.717 1.00 0.00 N ATOM 0 H LYS A 38 -3.492 6.855 -12.345 1.00 0.00 H new ATOM 0 HA LYS A 38 -4.793 4.904 -11.075 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -5.913 6.622 -12.389 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -5.283 5.962 -13.885 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -6.577 3.825 -13.364 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -7.337 4.695 -12.046 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -7.865 6.501 -13.909 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -7.579 5.173 -15.017 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -9.278 3.805 -13.785 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -9.586 5.167 -12.727 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -11.207 5.056 -14.506 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -10.281 6.472 -14.653 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -9.982 5.152 -15.678 1.00 0.00 H new ATOM 571 N GLY A 39 -4.522 2.610 -11.938 1.00 0.00 N ATOM 572 CA GLY A 39 -4.288 1.254 -12.400 1.00 0.00 C ATOM 573 C GLY A 39 -3.052 0.635 -11.778 1.00 0.00 C ATOM 574 O GLY A 39 -3.050 -0.542 -11.425 1.00 0.00 O ATOM 0 H GLY A 39 -4.937 2.681 -11.009 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -5.156 0.638 -12.165 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -4.183 1.256 -13.485 1.00 0.00 H new ATOM 578 N GLU A 40 -1.995 1.432 -11.647 1.00 0.00 N ATOM 579 CA GLU A 40 -0.746 0.954 -11.067 1.00 0.00 C ATOM 580 C GLU A 40 -1.001 0.227 -9.750 1.00 0.00 C ATOM 581 O GLU A 40 -1.993 0.485 -9.067 1.00 0.00 O ATOM 582 CB GLU A 40 0.216 2.122 -10.838 1.00 0.00 C ATOM 583 CG GLU A 40 0.889 2.614 -12.109 1.00 0.00 C ATOM 584 CD GLU A 40 1.933 1.644 -12.628 1.00 0.00 C ATOM 585 OE1 GLU A 40 3.053 1.624 -12.076 1.00 0.00 O ATOM 586 OE2 GLU A 40 1.629 0.904 -13.589 1.00 0.00 O ATOM 0 H GLU A 40 -1.980 2.410 -11.935 1.00 0.00 H new ATOM 0 HA GLU A 40 -0.295 0.253 -11.769 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -0.331 2.948 -10.383 1.00 0.00 H new ATOM 0 HB3 GLU A 40 0.982 1.816 -10.126 1.00 0.00 H new ATOM 0 HG2 GLU A 40 0.133 2.774 -12.878 1.00 0.00 H new ATOM 0 HG3 GLU A 40 1.358 3.579 -11.917 1.00 0.00 H new ATOM 593 N HIS A 41 -0.098 -0.685 -9.400 1.00 0.00 N ATOM 594 CA HIS A 41 -0.226 -1.451 -8.165 1.00 0.00 C ATOM 595 C HIS A 41 0.657 -0.863 -7.068 1.00 0.00 C ATOM 596 O HIS A 41 1.863 -0.699 -7.250 1.00 0.00 O ATOM 597 CB HIS A 41 0.148 -2.913 -8.407 1.00 0.00 C ATOM 598 CG HIS A 41 -0.977 -3.737 -8.955 1.00 0.00 C ATOM 599 ND1 HIS A 41 -1.335 -4.963 -8.436 1.00 0.00 N ATOM 600 CD2 HIS A 41 -1.827 -3.502 -9.982 1.00 0.00 C ATOM 601 CE1 HIS A 41 -2.355 -5.447 -9.121 1.00 0.00 C ATOM 602 NE2 HIS A 41 -2.673 -4.581 -10.064 1.00 0.00 N ATOM 0 H HIS A 41 0.729 -0.911 -9.953 1.00 0.00 H new ATOM 0 HA HIS A 41 -1.265 -1.398 -7.839 1.00 0.00 H new ATOM 0 HB2 HIS A 41 0.989 -2.954 -9.100 1.00 0.00 H new ATOM 0 HB3 HIS A 41 0.486 -3.353 -7.469 1.00 0.00 H new ATOM 0 HD2 HIS A 41 -1.838 -2.629 -10.618 1.00 0.00 H new ATOM 0 HE1 HIS A 41 -2.846 -6.392 -8.940 1.00 0.00 H new ATOM 0 HE2 HIS A 41 -3.425 -4.694 -10.744 1.00 0.00 H new ATOM 611 N ILE A 42 0.046 -0.548 -5.930 1.00 0.00 N ATOM 612 CA ILE A 42 0.776 0.022 -4.805 1.00 0.00 C ATOM 613 C ILE A 42 0.681 -0.876 -3.576 1.00 0.00 C ATOM 614 O ILE A 42 -0.410 -1.296 -3.186 1.00 0.00 O ATOM 615 CB ILE A 42 0.251 1.424 -4.444 1.00 0.00 C ATOM 616 CG1 ILE A 42 0.265 2.330 -5.677 1.00 0.00 C ATOM 617 CG2 ILE A 42 1.085 2.030 -3.325 1.00 0.00 C ATOM 618 CD1 ILE A 42 -0.794 3.411 -5.644 1.00 0.00 C ATOM 0 H ILE A 42 -0.952 -0.678 -5.764 1.00 0.00 H new ATOM 0 HA ILE A 42 1.818 0.102 -5.114 1.00 0.00 H new ATOM 0 HB ILE A 42 -0.778 1.332 -4.095 1.00 0.00 H new ATOM 0 HG12 ILE A 42 1.246 2.796 -5.764 1.00 0.00 H new ATOM 0 HG13 ILE A 42 0.122 1.719 -6.568 1.00 0.00 H new ATOM 0 HG21 ILE A 42 0.702 3.021 -3.081 1.00 0.00 H new ATOM 0 HG22 ILE A 42 1.029 1.392 -2.443 1.00 0.00 H new ATOM 0 HG23 ILE A 42 2.123 2.112 -3.648 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -0.726 4.015 -6.549 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -1.781 2.952 -5.588 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -0.639 4.046 -4.771 1.00 0.00 H new ATOM 630 N CYS A 43 1.827 -1.165 -2.970 1.00 0.00 N ATOM 631 CA CYS A 43 1.872 -2.013 -1.784 1.00 0.00 C ATOM 632 C CYS A 43 1.716 -1.182 -0.516 1.00 0.00 C ATOM 633 O CYS A 43 2.484 -0.250 -0.271 1.00 0.00 O ATOM 634 CB CYS A 43 3.188 -2.792 -1.739 1.00 0.00 C ATOM 635 SG CYS A 43 3.067 -4.398 -0.917 1.00 0.00 S ATOM 0 H CYS A 43 2.737 -0.825 -3.280 1.00 0.00 H new ATOM 0 HA CYS A 43 1.042 -2.718 -1.839 1.00 0.00 H new ATOM 0 HB2 CYS A 43 3.543 -2.943 -2.758 1.00 0.00 H new ATOM 0 HB3 CYS A 43 3.937 -2.189 -1.226 1.00 0.00 H new ATOM 0 HG CYS A 43 4.229 -4.981 -0.931 1.00 0.00 H new ATOM 641 N LEU A 44 0.716 -1.523 0.289 1.00 0.00 N ATOM 642 CA LEU A 44 0.456 -0.808 1.533 1.00 0.00 C ATOM 643 C LEU A 44 1.481 -1.179 2.599 1.00 0.00 C ATOM 644 O LEU A 44 1.595 -2.343 2.987 1.00 0.00 O ATOM 645 CB LEU A 44 -0.955 -1.116 2.038 1.00 0.00 C ATOM 646 CG LEU A 44 -2.101 -0.726 1.103 1.00 0.00 C ATOM 647 CD1 LEU A 44 -3.430 -1.221 1.654 1.00 0.00 C ATOM 648 CD2 LEU A 44 -2.134 0.781 0.899 1.00 0.00 C ATOM 0 H LEU A 44 0.071 -2.291 0.102 1.00 0.00 H new ATOM 0 HA LEU A 44 0.538 0.260 1.332 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -1.023 -2.185 2.237 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -1.099 -0.605 2.990 1.00 0.00 H new ATOM 0 HG LEU A 44 -1.933 -1.199 0.136 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -4.234 -0.935 0.976 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -3.403 -2.307 1.747 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -3.606 -0.777 2.634 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -2.956 1.040 0.231 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -2.278 1.275 1.860 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -1.192 1.109 0.460 1.00 0.00 H new ATOM 660 N ILE A 45 2.225 -0.183 3.071 1.00 0.00 N ATOM 661 CA ILE A 45 3.238 -0.405 4.095 1.00 0.00 C ATOM 662 C ILE A 45 2.600 -0.631 5.461 1.00 0.00 C ATOM 663 O ILE A 45 2.679 -1.725 6.022 1.00 0.00 O ATOM 664 CB ILE A 45 4.216 0.781 4.186 1.00 0.00 C ATOM 665 CG1 ILE A 45 4.685 1.193 2.790 1.00 0.00 C ATOM 666 CG2 ILE A 45 5.403 0.422 5.067 1.00 0.00 C ATOM 667 CD1 ILE A 45 5.716 0.257 2.199 1.00 0.00 C ATOM 0 H ILE A 45 2.145 0.785 2.760 1.00 0.00 H new ATOM 0 HA ILE A 45 3.790 -1.298 3.804 1.00 0.00 H new ATOM 0 HB ILE A 45 3.697 1.627 4.637 1.00 0.00 H new ATOM 0 HG12 ILE A 45 3.823 1.238 2.124 1.00 0.00 H new ATOM 0 HG13 ILE A 45 5.104 2.198 2.838 1.00 0.00 H new ATOM 0 HG21 ILE A 45 6.085 1.270 5.122 1.00 0.00 H new ATOM 0 HG22 ILE A 45 5.051 0.174 6.068 1.00 0.00 H new ATOM 0 HG23 ILE A 45 5.924 -0.436 4.643 1.00 0.00 H new ATOM 0 HD11 ILE A 45 6.003 0.610 1.209 1.00 0.00 H new ATOM 0 HD12 ILE A 45 6.595 0.230 2.843 1.00 0.00 H new ATOM 0 HD13 ILE A 45 5.294 -0.745 2.119 1.00 0.00 H new ATOM 679 N ARG A 46 1.967 0.410 5.990 1.00 0.00 N ATOM 680 CA ARG A 46 1.313 0.326 7.292 1.00 0.00 C ATOM 681 C ARG A 46 0.178 1.341 7.397 1.00 0.00 C ATOM 682 O ARG A 46 0.414 2.547 7.454 1.00 0.00 O ATOM 683 CB ARG A 46 2.328 0.562 8.411 1.00 0.00 C ATOM 684 CG ARG A 46 1.690 0.857 9.759 1.00 0.00 C ATOM 685 CD ARG A 46 2.722 1.317 10.776 1.00 0.00 C ATOM 686 NE ARG A 46 2.893 2.768 10.764 1.00 0.00 N ATOM 687 CZ ARG A 46 3.647 3.426 11.637 1.00 0.00 C ATOM 688 NH1 ARG A 46 4.297 2.767 12.586 1.00 0.00 N ATOM 689 NH2 ARG A 46 3.752 4.747 11.562 1.00 0.00 N ATOM 0 H ARG A 46 1.892 1.322 5.538 1.00 0.00 H new ATOM 0 HA ARG A 46 0.893 -0.674 7.396 1.00 0.00 H new ATOM 0 HB2 ARG A 46 2.964 -0.318 8.504 1.00 0.00 H new ATOM 0 HB3 ARG A 46 2.974 1.395 8.134 1.00 0.00 H new ATOM 0 HG2 ARG A 46 0.927 1.626 9.641 1.00 0.00 H new ATOM 0 HG3 ARG A 46 1.187 -0.037 10.128 1.00 0.00 H new ATOM 0 HD2 ARG A 46 2.417 0.996 11.772 1.00 0.00 H new ATOM 0 HD3 ARG A 46 3.678 0.837 10.565 1.00 0.00 H new ATOM 0 HE ARG A 46 2.407 3.305 10.046 1.00 0.00 H new ATOM 0 HH11 ARG A 46 4.219 1.752 12.647 1.00 0.00 H new ATOM 0 HH12 ARG A 46 4.875 3.275 13.255 1.00 0.00 H new ATOM 0 HH21 ARG A 46 3.253 5.258 10.833 1.00 0.00 H new ATOM 0 HH22 ARG A 46 4.331 5.251 12.233 1.00 0.00 H new ATOM 703 N LYS A 47 -1.053 0.843 7.421 1.00 0.00 N ATOM 704 CA LYS A 47 -2.226 1.705 7.519 1.00 0.00 C ATOM 705 C LYS A 47 -1.979 2.847 8.498 1.00 0.00 C ATOM 706 O LYS A 47 -1.965 2.646 9.713 1.00 0.00 O ATOM 707 CB LYS A 47 -3.445 0.893 7.961 1.00 0.00 C ATOM 708 CG LYS A 47 -4.653 1.747 8.304 1.00 0.00 C ATOM 709 CD LYS A 47 -5.783 0.911 8.879 1.00 0.00 C ATOM 710 CE LYS A 47 -7.003 1.763 9.195 1.00 0.00 C ATOM 711 NZ LYS A 47 -7.845 1.152 10.261 1.00 0.00 N ATOM 0 H LYS A 47 -1.265 -0.154 7.374 1.00 0.00 H new ATOM 0 HA LYS A 47 -2.419 2.130 6.534 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -3.716 0.198 7.166 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -3.176 0.293 8.831 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -4.365 2.514 9.023 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -5.000 2.263 7.409 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -6.057 0.131 8.169 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -5.442 0.411 9.786 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -6.681 2.755 9.511 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -7.599 1.893 8.292 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -8.666 1.762 10.447 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -8.173 0.216 9.950 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -7.284 1.051 11.131 1.00 0.00 H new ATOM 725 N VAL A 48 -1.787 4.048 7.964 1.00 0.00 N ATOM 726 CA VAL A 48 -1.544 5.225 8.791 1.00 0.00 C ATOM 727 C VAL A 48 -2.776 5.580 9.615 1.00 0.00 C ATOM 728 O VAL A 48 -2.756 5.504 10.844 1.00 0.00 O ATOM 729 CB VAL A 48 -1.145 6.441 7.934 1.00 0.00 C ATOM 730 CG1 VAL A 48 -0.608 7.560 8.813 1.00 0.00 C ATOM 731 CG2 VAL A 48 -0.121 6.039 6.884 1.00 0.00 C ATOM 0 H VAL A 48 -1.795 4.233 6.961 1.00 0.00 H new ATOM 0 HA VAL A 48 -0.721 4.977 9.461 1.00 0.00 H new ATOM 0 HB VAL A 48 -2.033 6.809 7.420 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -0.331 8.411 8.190 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -1.376 7.865 9.524 1.00 0.00 H new ATOM 0 HG13 VAL A 48 0.269 7.207 9.356 1.00 0.00 H new ATOM 0 HG21 VAL A 48 0.150 6.910 6.287 1.00 0.00 H new ATOM 0 HG22 VAL A 48 0.769 5.645 7.375 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -0.546 5.273 6.235 1.00 0.00 H new ATOM 741 N ASN A 49 -3.847 5.968 8.932 1.00 0.00 N ATOM 742 CA ASN A 49 -5.090 6.336 9.601 1.00 0.00 C ATOM 743 C ASN A 49 -6.291 5.706 8.902 1.00 0.00 C ATOM 744 O ASN A 49 -6.145 5.026 7.889 1.00 0.00 O ATOM 745 CB ASN A 49 -5.245 7.858 9.634 1.00 0.00 C ATOM 746 CG ASN A 49 -4.548 8.484 10.826 1.00 0.00 C ATOM 747 OD1 ASN A 49 -4.597 7.954 11.937 1.00 0.00 O ATOM 748 ND2 ASN A 49 -3.896 9.618 10.601 1.00 0.00 N ATOM 0 H ASN A 49 -3.880 6.036 7.915 1.00 0.00 H new ATOM 0 HA ASN A 49 -5.048 5.960 10.623 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -4.839 8.282 8.715 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -6.305 8.112 9.661 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -3.409 10.086 11.365 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -3.882 10.021 9.664 1.00 0.00 H new ATOM 755 N GLU A 50 -7.478 5.939 9.454 1.00 0.00 N ATOM 756 CA GLU A 50 -8.705 5.394 8.884 1.00 0.00 C ATOM 757 C GLU A 50 -8.982 5.998 7.510 1.00 0.00 C ATOM 758 O GLU A 50 -9.885 5.560 6.799 1.00 0.00 O ATOM 759 CB GLU A 50 -9.889 5.657 9.817 1.00 0.00 C ATOM 760 CG GLU A 50 -10.118 7.130 10.107 1.00 0.00 C ATOM 761 CD GLU A 50 -11.197 7.358 11.149 1.00 0.00 C ATOM 762 OE1 GLU A 50 -12.378 7.483 10.764 1.00 0.00 O ATOM 763 OE2 GLU A 50 -10.858 7.412 12.350 1.00 0.00 O ATOM 0 H GLU A 50 -7.616 6.501 10.294 1.00 0.00 H new ATOM 0 HA GLU A 50 -8.575 4.318 8.769 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -10.792 5.238 9.372 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -9.724 5.131 10.757 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -9.186 7.578 10.451 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -10.396 7.639 9.184 1.00 0.00 H new ATOM 770 N ASN A 51 -8.197 7.006 7.146 1.00 0.00 N ATOM 771 CA ASN A 51 -8.358 7.673 5.857 1.00 0.00 C ATOM 772 C ASN A 51 -7.045 7.678 5.081 1.00 0.00 C ATOM 773 O ASN A 51 -6.997 7.270 3.921 1.00 0.00 O ATOM 774 CB ASN A 51 -8.850 9.107 6.060 1.00 0.00 C ATOM 775 CG ASN A 51 -10.212 9.163 6.724 1.00 0.00 C ATOM 776 OD1 ASN A 51 -10.232 9.524 8.003 1.00 0.00 O flip ATOM 777 ND2 ASN A 51 -11.234 8.886 6.096 1.00 0.00 N flip ATOM 0 H ASN A 51 -7.444 7.379 7.723 1.00 0.00 H new ATOM 0 HA ASN A 51 -9.099 7.121 5.279 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -8.129 9.653 6.669 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -8.898 9.612 5.095 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -11.172 8.614 5.115 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -12.143 8.929 6.557 1.00 0.00 H new ATOM 784 N TRP A 52 -5.983 8.142 5.728 1.00 0.00 N ATOM 785 CA TRP A 52 -4.668 8.201 5.099 1.00 0.00 C ATOM 786 C TRP A 52 -3.990 6.835 5.128 1.00 0.00 C ATOM 787 O TRP A 52 -4.204 6.045 6.047 1.00 0.00 O ATOM 788 CB TRP A 52 -3.788 9.235 5.801 1.00 0.00 C ATOM 789 CG TRP A 52 -4.258 10.645 5.604 1.00 0.00 C ATOM 790 CD1 TRP A 52 -5.203 11.305 6.336 1.00 0.00 C ATOM 791 CD2 TRP A 52 -3.804 11.568 4.607 1.00 0.00 C ATOM 792 NE1 TRP A 52 -5.364 12.582 5.855 1.00 0.00 N ATOM 793 CE2 TRP A 52 -4.517 12.768 4.795 1.00 0.00 C ATOM 794 CE3 TRP A 52 -2.863 11.498 3.576 1.00 0.00 C ATOM 795 CZ2 TRP A 52 -4.318 13.886 3.989 1.00 0.00 C ATOM 796 CZ3 TRP A 52 -2.667 12.608 2.776 1.00 0.00 C ATOM 797 CH2 TRP A 52 -3.391 13.789 2.987 1.00 0.00 C ATOM 0 H TRP A 52 -6.006 8.483 6.689 1.00 0.00 H new ATOM 0 HA TRP A 52 -4.804 8.498 4.059 1.00 0.00 H new ATOM 0 HB2 TRP A 52 -3.761 9.014 6.868 1.00 0.00 H new ATOM 0 HB3 TRP A 52 -2.767 9.145 5.430 1.00 0.00 H new ATOM 0 HD1 TRP A 52 -5.745 10.885 7.171 1.00 0.00 H new ATOM 0 HE1 TRP A 52 -6.010 13.278 6.227 1.00 0.00 H new ATOM 0 HE3 TRP A 52 -2.299 10.593 3.407 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 -4.875 14.797 4.149 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 -1.944 12.564 1.975 1.00 0.00 H new ATOM 0 HH2 TRP A 52 -3.214 14.640 2.346 1.00 0.00 H new ATOM 808 N TYR A 53 -3.172 6.564 4.117 1.00 0.00 N ATOM 809 CA TYR A 53 -2.464 5.293 4.026 1.00 0.00 C ATOM 810 C TYR A 53 -1.000 5.510 3.658 1.00 0.00 C ATOM 811 O TYR A 53 -0.533 6.645 3.568 1.00 0.00 O ATOM 812 CB TYR A 53 -3.132 4.385 2.991 1.00 0.00 C ATOM 813 CG TYR A 53 -4.367 3.683 3.508 1.00 0.00 C ATOM 814 CD1 TYR A 53 -4.263 2.571 4.334 1.00 0.00 C ATOM 815 CD2 TYR A 53 -5.639 4.131 3.171 1.00 0.00 C ATOM 816 CE1 TYR A 53 -5.388 1.925 4.809 1.00 0.00 C ATOM 817 CE2 TYR A 53 -6.769 3.492 3.642 1.00 0.00 C ATOM 818 CZ TYR A 53 -6.638 2.390 4.461 1.00 0.00 C ATOM 819 OH TYR A 53 -7.763 1.751 4.931 1.00 0.00 O ATOM 0 H TYR A 53 -2.983 7.208 3.349 1.00 0.00 H new ATOM 0 HA TYR A 53 -2.507 4.812 5.003 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -3.401 4.980 2.118 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -2.412 3.637 2.658 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -3.285 2.205 4.610 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -5.745 4.994 2.530 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -5.289 1.061 5.449 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -7.750 3.853 3.371 1.00 0.00 H new ATOM 0 HH TYR A 53 -7.713 0.797 4.712 1.00 0.00 H new ATOM 829 N GLU A 54 -0.280 4.411 3.446 1.00 0.00 N ATOM 830 CA GLU A 54 1.132 4.482 3.089 1.00 0.00 C ATOM 831 C GLU A 54 1.502 3.365 2.117 1.00 0.00 C ATOM 832 O GLU A 54 1.145 2.205 2.321 1.00 0.00 O ATOM 833 CB GLU A 54 2.003 4.392 4.343 1.00 0.00 C ATOM 834 CG GLU A 54 3.473 4.143 4.046 1.00 0.00 C ATOM 835 CD GLU A 54 4.275 3.833 5.295 1.00 0.00 C ATOM 836 OE1 GLU A 54 3.715 3.210 6.221 1.00 0.00 O ATOM 837 OE2 GLU A 54 5.463 4.215 5.347 1.00 0.00 O ATOM 0 H GLU A 54 -0.651 3.463 3.515 1.00 0.00 H new ATOM 0 HA GLU A 54 1.311 5.440 2.601 1.00 0.00 H new ATOM 0 HB2 GLU A 54 1.907 5.319 4.909 1.00 0.00 H new ATOM 0 HB3 GLU A 54 1.628 3.590 4.979 1.00 0.00 H new ATOM 0 HG2 GLU A 54 3.563 3.313 3.345 1.00 0.00 H new ATOM 0 HG3 GLU A 54 3.895 5.021 3.556 1.00 0.00 H new ATOM 844 N GLY A 55 2.221 3.725 1.058 1.00 0.00 N ATOM 845 CA GLY A 55 2.629 2.743 0.069 1.00 0.00 C ATOM 846 C GLY A 55 3.938 3.105 -0.603 1.00 0.00 C ATOM 847 O GLY A 55 4.616 4.046 -0.190 1.00 0.00 O ATOM 0 H GLY A 55 2.528 4.679 0.867 1.00 0.00 H new ATOM 0 HA2 GLY A 55 2.728 1.769 0.548 1.00 0.00 H new ATOM 0 HA3 GLY A 55 1.850 2.649 -0.687 1.00 0.00 H new ATOM 851 N ARG A 56 4.295 2.357 -1.642 1.00 0.00 N ATOM 852 CA ARG A 56 5.533 2.603 -2.370 1.00 0.00 C ATOM 853 C ARG A 56 5.370 2.266 -3.849 1.00 0.00 C ATOM 854 O ARG A 56 4.399 1.619 -4.245 1.00 0.00 O ATOM 855 CB ARG A 56 6.675 1.779 -1.773 1.00 0.00 C ATOM 856 CG ARG A 56 6.598 0.299 -2.108 1.00 0.00 C ATOM 857 CD ARG A 56 7.980 -0.331 -2.174 1.00 0.00 C ATOM 858 NE ARG A 56 8.927 0.503 -2.910 1.00 0.00 N ATOM 859 CZ ARG A 56 10.245 0.372 -2.822 1.00 0.00 C ATOM 860 NH1 ARG A 56 10.771 -0.554 -2.033 1.00 0.00 N ATOM 861 NH2 ARG A 56 11.042 1.169 -3.524 1.00 0.00 N ATOM 0 H ARG A 56 3.744 1.576 -1.998 1.00 0.00 H new ATOM 0 HA ARG A 56 5.772 3.662 -2.279 1.00 0.00 H new ATOM 0 HB2 ARG A 56 7.624 2.175 -2.133 1.00 0.00 H new ATOM 0 HB3 ARG A 56 6.670 1.898 -0.690 1.00 0.00 H new ATOM 0 HG2 ARG A 56 5.999 -0.214 -1.356 1.00 0.00 H new ATOM 0 HG3 ARG A 56 6.091 0.167 -3.064 1.00 0.00 H new ATOM 0 HD2 ARG A 56 8.352 -0.496 -1.163 1.00 0.00 H new ATOM 0 HD3 ARG A 56 7.910 -1.308 -2.651 1.00 0.00 H new ATOM 0 HE ARG A 56 8.555 1.226 -3.526 1.00 0.00 H new ATOM 0 HH11 ARG A 56 10.163 -1.168 -1.492 1.00 0.00 H new ATOM 0 HH12 ARG A 56 11.784 -0.652 -1.967 1.00 0.00 H new ATOM 0 HH21 ARG A 56 10.642 1.883 -4.132 1.00 0.00 H new ATOM 0 HH22 ARG A 56 12.055 1.067 -3.455 1.00 0.00 H new ATOM 875 N ILE A 57 6.322 2.711 -4.661 1.00 0.00 N ATOM 876 CA ILE A 57 6.283 2.457 -6.096 1.00 0.00 C ATOM 877 C ILE A 57 7.554 1.757 -6.565 1.00 0.00 C ATOM 878 O ILE A 57 8.361 2.334 -7.295 1.00 0.00 O ATOM 879 CB ILE A 57 6.105 3.762 -6.895 1.00 0.00 C ATOM 880 CG1 ILE A 57 4.910 4.553 -6.360 1.00 0.00 C ATOM 881 CG2 ILE A 57 5.925 3.457 -8.374 1.00 0.00 C ATOM 882 CD1 ILE A 57 3.578 3.882 -6.613 1.00 0.00 C ATOM 0 H ILE A 57 7.130 3.250 -4.350 1.00 0.00 H new ATOM 0 HA ILE A 57 5.425 1.809 -6.278 1.00 0.00 H new ATOM 0 HB ILE A 57 7.002 4.369 -6.776 1.00 0.00 H new ATOM 0 HG12 ILE A 57 5.034 4.702 -5.287 1.00 0.00 H new ATOM 0 HG13 ILE A 57 4.903 5.541 -6.821 1.00 0.00 H new ATOM 0 HG21 ILE A 57 5.800 4.389 -8.925 1.00 0.00 H new ATOM 0 HG22 ILE A 57 6.803 2.930 -8.746 1.00 0.00 H new ATOM 0 HG23 ILE A 57 5.042 2.833 -8.512 1.00 0.00 H new ATOM 0 HD11 ILE A 57 2.777 4.499 -6.207 1.00 0.00 H new ATOM 0 HD12 ILE A 57 3.431 3.757 -7.686 1.00 0.00 H new ATOM 0 HD13 ILE A 57 3.565 2.905 -6.129 1.00 0.00 H new ATOM 894 N THR A 58 7.726 0.508 -6.143 1.00 0.00 N ATOM 895 CA THR A 58 8.898 -0.271 -6.519 1.00 0.00 C ATOM 896 C THR A 58 9.360 0.077 -7.930 1.00 0.00 C ATOM 897 O THR A 58 8.642 -0.149 -8.902 1.00 0.00 O ATOM 898 CB THR A 58 8.615 -1.784 -6.443 1.00 0.00 C ATOM 899 OG1 THR A 58 8.628 -2.216 -5.077 1.00 0.00 O ATOM 900 CG2 THR A 58 9.647 -2.569 -7.239 1.00 0.00 C ATOM 0 H THR A 58 7.068 0.015 -5.540 1.00 0.00 H new ATOM 0 HA THR A 58 9.686 -0.020 -5.809 1.00 0.00 H new ATOM 0 HB THR A 58 7.631 -1.970 -6.873 1.00 0.00 H new ATOM 0 HG1 THR A 58 8.446 -3.178 -5.036 1.00 0.00 H new ATOM 0 HG21 THR A 58 9.426 -3.634 -7.170 1.00 0.00 H new ATOM 0 HG22 THR A 58 9.614 -2.258 -8.283 1.00 0.00 H new ATOM 0 HG23 THR A 58 10.641 -2.378 -6.835 1.00 0.00 H new ATOM 908 N GLY A 59 10.566 0.627 -8.033 1.00 0.00 N ATOM 909 CA GLY A 59 11.103 0.997 -9.330 1.00 0.00 C ATOM 910 C GLY A 59 11.362 2.486 -9.447 1.00 0.00 C ATOM 911 O GLY A 59 12.017 2.939 -10.386 1.00 0.00 O ATOM 0 H GLY A 59 11.180 0.823 -7.243 1.00 0.00 H new ATOM 0 HA2 GLY A 59 12.033 0.455 -9.503 1.00 0.00 H new ATOM 0 HA3 GLY A 59 10.406 0.690 -10.109 1.00 0.00 H new ATOM 915 N THR A 60 10.844 3.253 -8.492 1.00 0.00 N ATOM 916 CA THR A 60 11.020 4.699 -8.493 1.00 0.00 C ATOM 917 C THR A 60 11.223 5.230 -7.078 1.00 0.00 C ATOM 918 O THR A 60 11.042 4.505 -6.101 1.00 0.00 O ATOM 919 CB THR A 60 9.810 5.411 -9.128 1.00 0.00 C ATOM 920 OG1 THR A 60 8.605 5.017 -8.461 1.00 0.00 O ATOM 921 CG2 THR A 60 9.706 5.085 -10.609 1.00 0.00 C ATOM 0 H THR A 60 10.299 2.895 -7.708 1.00 0.00 H new ATOM 0 HA THR A 60 11.909 4.909 -9.087 1.00 0.00 H new ATOM 0 HB THR A 60 9.950 6.486 -9.019 1.00 0.00 H new ATOM 0 HG1 THR A 60 8.639 4.058 -8.264 1.00 0.00 H new ATOM 0 HG21 THR A 60 8.844 5.599 -11.035 1.00 0.00 H new ATOM 0 HG22 THR A 60 10.612 5.413 -11.118 1.00 0.00 H new ATOM 0 HG23 THR A 60 9.587 4.009 -10.737 1.00 0.00 H new ATOM 929 N GLY A 61 11.601 6.501 -6.976 1.00 0.00 N ATOM 930 CA GLY A 61 11.822 7.106 -5.676 1.00 0.00 C ATOM 931 C GLY A 61 10.527 7.466 -4.976 1.00 0.00 C ATOM 932 O GLY A 61 10.528 7.818 -3.796 1.00 0.00 O ATOM 0 H GLY A 61 11.758 7.122 -7.770 1.00 0.00 H new ATOM 0 HA2 GLY A 61 12.390 6.418 -5.050 1.00 0.00 H new ATOM 0 HA3 GLY A 61 12.429 8.004 -5.795 1.00 0.00 H new ATOM 936 N ARG A 62 9.418 7.380 -5.705 1.00 0.00 N ATOM 937 CA ARG A 62 8.111 7.702 -5.148 1.00 0.00 C ATOM 938 C ARG A 62 7.737 6.725 -4.037 1.00 0.00 C ATOM 939 O ARG A 62 7.695 5.514 -4.251 1.00 0.00 O ATOM 940 CB ARG A 62 7.044 7.676 -6.245 1.00 0.00 C ATOM 941 CG ARG A 62 7.243 8.738 -7.313 1.00 0.00 C ATOM 942 CD ARG A 62 8.243 8.287 -8.367 1.00 0.00 C ATOM 943 NE ARG A 62 8.099 9.036 -9.613 1.00 0.00 N ATOM 944 CZ ARG A 62 7.023 8.968 -10.391 1.00 0.00 C ATOM 945 NH1 ARG A 62 6.004 8.192 -10.052 1.00 0.00 N ATOM 946 NH2 ARG A 62 6.966 9.680 -11.510 1.00 0.00 N ATOM 0 H ARG A 62 9.400 7.090 -6.683 1.00 0.00 H new ATOM 0 HA ARG A 62 8.162 8.705 -4.724 1.00 0.00 H new ATOM 0 HB2 ARG A 62 7.044 6.694 -6.717 1.00 0.00 H new ATOM 0 HB3 ARG A 62 6.063 7.810 -5.789 1.00 0.00 H new ATOM 0 HG2 ARG A 62 6.288 8.961 -7.788 1.00 0.00 H new ATOM 0 HG3 ARG A 62 7.592 9.661 -6.850 1.00 0.00 H new ATOM 0 HD2 ARG A 62 9.256 8.412 -7.983 1.00 0.00 H new ATOM 0 HD3 ARG A 62 8.107 7.224 -8.565 1.00 0.00 H new ATOM 0 HE ARG A 62 8.865 9.644 -9.902 1.00 0.00 H new ATOM 0 HH11 ARG A 62 6.044 7.645 -9.192 1.00 0.00 H new ATOM 0 HH12 ARG A 62 5.180 8.142 -10.651 1.00 0.00 H new ATOM 0 HH21 ARG A 62 7.748 10.280 -11.773 1.00 0.00 H new ATOM 0 HH22 ARG A 62 6.140 9.627 -12.106 1.00 0.00 H new ATOM 960 N GLN A 63 7.467 7.261 -2.851 1.00 0.00 N ATOM 961 CA GLN A 63 7.099 6.436 -1.706 1.00 0.00 C ATOM 962 C GLN A 63 6.685 7.302 -0.522 1.00 0.00 C ATOM 963 O GLN A 63 7.473 8.102 -0.019 1.00 0.00 O ATOM 964 CB GLN A 63 8.264 5.529 -1.308 1.00 0.00 C ATOM 965 CG GLN A 63 7.941 4.594 -0.155 1.00 0.00 C ATOM 966 CD GLN A 63 8.810 3.351 -0.150 1.00 0.00 C ATOM 967 OE1 GLN A 63 9.777 3.252 -0.905 1.00 0.00 O ATOM 968 NE2 GLN A 63 8.469 2.394 0.705 1.00 0.00 N ATOM 0 H GLN A 63 7.496 8.262 -2.658 1.00 0.00 H new ATOM 0 HA GLN A 63 6.249 5.817 -1.994 1.00 0.00 H new ATOM 0 HB2 GLN A 63 8.564 4.936 -2.172 1.00 0.00 H new ATOM 0 HB3 GLN A 63 9.118 6.148 -1.034 1.00 0.00 H new ATOM 0 HG2 GLN A 63 8.070 5.127 0.787 1.00 0.00 H new ATOM 0 HG3 GLN A 63 6.893 4.300 -0.213 1.00 0.00 H new ATOM 0 HE21 GLN A 63 7.659 2.518 1.313 1.00 0.00 H new ATOM 0 HE22 GLN A 63 9.017 1.535 0.754 1.00 0.00 H new ATOM 977 N GLY A 64 5.442 7.138 -0.079 1.00 0.00 N ATOM 978 CA GLY A 64 4.945 7.911 1.043 1.00 0.00 C ATOM 979 C GLY A 64 3.489 7.619 1.350 1.00 0.00 C ATOM 980 O GLY A 64 3.008 6.512 1.110 1.00 0.00 O ATOM 0 H GLY A 64 4.770 6.483 -0.478 1.00 0.00 H new ATOM 0 HA2 GLY A 64 5.549 7.696 1.924 1.00 0.00 H new ATOM 0 HA3 GLY A 64 5.062 8.973 0.828 1.00 0.00 H new ATOM 984 N ILE A 65 2.788 8.614 1.884 1.00 0.00 N ATOM 985 CA ILE A 65 1.379 8.457 2.224 1.00 0.00 C ATOM 986 C ILE A 65 0.484 9.095 1.167 1.00 0.00 C ATOM 987 O ILE A 65 0.919 9.964 0.412 1.00 0.00 O ATOM 988 CB ILE A 65 1.059 9.080 3.595 1.00 0.00 C ATOM 989 CG1 ILE A 65 1.398 10.572 3.594 1.00 0.00 C ATOM 990 CG2 ILE A 65 1.823 8.359 4.696 1.00 0.00 C ATOM 991 CD1 ILE A 65 0.524 11.391 4.518 1.00 0.00 C ATOM 0 H ILE A 65 3.172 9.536 2.090 1.00 0.00 H new ATOM 0 HA ILE A 65 1.181 7.386 2.265 1.00 0.00 H new ATOM 0 HB ILE A 65 -0.008 8.969 3.787 1.00 0.00 H new ATOM 0 HG12 ILE A 65 2.441 10.700 3.885 1.00 0.00 H new ATOM 0 HG13 ILE A 65 1.301 10.958 2.579 1.00 0.00 H new ATOM 0 HG21 ILE A 65 1.586 8.811 5.659 1.00 0.00 H new ATOM 0 HG22 ILE A 65 1.537 7.307 4.709 1.00 0.00 H new ATOM 0 HG23 ILE A 65 2.894 8.442 4.510 1.00 0.00 H new ATOM 0 HD11 ILE A 65 0.821 12.439 4.466 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -0.518 11.294 4.214 1.00 0.00 H new ATOM 0 HD13 ILE A 65 0.639 11.032 5.541 1.00 0.00 H new ATOM 1003 N PHE A 66 -0.770 8.659 1.120 1.00 0.00 N ATOM 1004 CA PHE A 66 -1.729 9.187 0.156 1.00 0.00 C ATOM 1005 C PHE A 66 -3.160 8.914 0.607 1.00 0.00 C ATOM 1006 O PHE A 66 -3.431 7.989 1.373 1.00 0.00 O ATOM 1007 CB PHE A 66 -1.489 8.570 -1.223 1.00 0.00 C ATOM 1008 CG PHE A 66 -1.305 7.080 -1.189 1.00 0.00 C ATOM 1009 CD1 PHE A 66 -2.372 6.242 -0.902 1.00 0.00 C ATOM 1010 CD2 PHE A 66 -0.065 6.515 -1.443 1.00 0.00 C ATOM 1011 CE1 PHE A 66 -2.205 4.871 -0.870 1.00 0.00 C ATOM 1012 CE2 PHE A 66 0.107 5.144 -1.413 1.00 0.00 C ATOM 1013 CZ PHE A 66 -0.965 4.321 -1.125 1.00 0.00 C ATOM 0 H PHE A 66 -1.147 7.941 1.739 1.00 0.00 H new ATOM 0 HA PHE A 66 -1.587 10.266 0.093 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -2.332 8.809 -1.871 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -0.605 9.027 -1.668 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -3.345 6.666 -0.701 1.00 0.00 H new ATOM 0 HD2 PHE A 66 0.777 7.154 -1.667 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -3.044 4.230 -0.646 1.00 0.00 H new ATOM 0 HE2 PHE A 66 1.078 4.716 -1.614 1.00 0.00 H new ATOM 0 HZ PHE A 66 -0.833 3.249 -1.099 1.00 0.00 H new ATOM 1023 N PRO A 67 -4.100 9.740 0.122 1.00 0.00 N ATOM 1024 CA PRO A 67 -5.520 9.608 0.461 1.00 0.00 C ATOM 1025 C PRO A 67 -6.152 8.365 -0.159 1.00 0.00 C ATOM 1026 O PRO A 67 -5.957 8.083 -1.340 1.00 0.00 O ATOM 1027 CB PRO A 67 -6.144 10.875 -0.129 1.00 0.00 C ATOM 1028 CG PRO A 67 -5.228 11.269 -1.236 1.00 0.00 C ATOM 1029 CD PRO A 67 -3.848 10.863 -0.795 1.00 0.00 C ATOM 0 HA PRO A 67 -5.674 9.500 1.535 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -7.152 10.685 -0.498 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -6.222 11.663 0.620 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -5.503 10.771 -2.166 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -5.279 12.342 -1.422 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -3.229 10.561 -1.640 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -3.329 11.681 -0.296 1.00 0.00 H new ATOM 1037 N ALA A 68 -6.909 7.628 0.646 1.00 0.00 N ATOM 1038 CA ALA A 68 -7.572 6.418 0.177 1.00 0.00 C ATOM 1039 C ALA A 68 -8.592 6.737 -0.912 1.00 0.00 C ATOM 1040 O ALA A 68 -8.559 6.157 -1.996 1.00 0.00 O ATOM 1041 CB ALA A 68 -8.242 5.698 1.337 1.00 0.00 C ATOM 0 H ALA A 68 -7.079 7.848 1.627 1.00 0.00 H new ATOM 0 HA ALA A 68 -6.814 5.762 -0.253 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -8.733 4.796 0.971 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -7.491 5.427 2.079 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -8.983 6.354 1.794 1.00 0.00 H new ATOM 1047 N SER A 69 -9.497 7.664 -0.613 1.00 0.00 N ATOM 1048 CA SER A 69 -10.530 8.057 -1.565 1.00 0.00 C ATOM 1049 C SER A 69 -9.970 8.113 -2.983 1.00 0.00 C ATOM 1050 O SER A 69 -10.702 7.947 -3.958 1.00 0.00 O ATOM 1051 CB SER A 69 -11.115 9.418 -1.181 1.00 0.00 C ATOM 1052 OG SER A 69 -11.574 9.416 0.159 1.00 0.00 O ATOM 0 H SER A 69 -9.536 8.156 0.280 1.00 0.00 H new ATOM 0 HA SER A 69 -11.321 7.308 -1.535 1.00 0.00 H new ATOM 0 HB2 SER A 69 -10.358 10.192 -1.308 1.00 0.00 H new ATOM 0 HB3 SER A 69 -11.939 9.665 -1.851 1.00 0.00 H new ATOM 0 HG SER A 69 -11.941 10.297 0.380 1.00 0.00 H new ATOM 1058 N TYR A 70 -8.667 8.349 -3.088 1.00 0.00 N ATOM 1059 CA TYR A 70 -8.007 8.429 -4.385 1.00 0.00 C ATOM 1060 C TYR A 70 -7.723 7.036 -4.940 1.00 0.00 C ATOM 1061 O TYR A 70 -7.925 6.774 -6.127 1.00 0.00 O ATOM 1062 CB TYR A 70 -6.702 9.219 -4.270 1.00 0.00 C ATOM 1063 CG TYR A 70 -6.899 10.718 -4.284 1.00 0.00 C ATOM 1064 CD1 TYR A 70 -7.539 11.364 -3.234 1.00 0.00 C ATOM 1065 CD2 TYR A 70 -6.445 11.488 -5.348 1.00 0.00 C ATOM 1066 CE1 TYR A 70 -7.722 12.733 -3.243 1.00 0.00 C ATOM 1067 CE2 TYR A 70 -6.621 12.858 -5.365 1.00 0.00 C ATOM 1068 CZ TYR A 70 -7.261 13.476 -4.311 1.00 0.00 C ATOM 1069 OH TYR A 70 -7.440 14.840 -4.324 1.00 0.00 O ATOM 0 H TYR A 70 -8.047 8.488 -2.290 1.00 0.00 H new ATOM 0 HA TYR A 70 -8.677 8.945 -5.073 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -6.196 8.936 -3.347 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -6.044 8.940 -5.093 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -7.900 10.786 -2.396 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -5.946 11.007 -6.176 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -8.223 13.219 -2.419 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -6.260 13.442 -6.199 1.00 0.00 H new ATOM 0 HH TYR A 70 -7.057 15.212 -5.146 1.00 0.00 H new ATOM 1079 N VAL A 71 -7.254 6.145 -4.073 1.00 0.00 N ATOM 1080 CA VAL A 71 -6.944 4.777 -4.473 1.00 0.00 C ATOM 1081 C VAL A 71 -8.048 3.816 -4.045 1.00 0.00 C ATOM 1082 O VAL A 71 -8.963 4.193 -3.315 1.00 0.00 O ATOM 1083 CB VAL A 71 -5.606 4.306 -3.872 1.00 0.00 C ATOM 1084 CG1 VAL A 71 -4.535 5.370 -4.055 1.00 0.00 C ATOM 1085 CG2 VAL A 71 -5.777 3.957 -2.402 1.00 0.00 C ATOM 0 H VAL A 71 -7.080 6.346 -3.088 1.00 0.00 H new ATOM 0 HA VAL A 71 -6.866 4.775 -5.560 1.00 0.00 H new ATOM 0 HB VAL A 71 -5.286 3.408 -4.400 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -3.597 5.020 -3.624 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -4.395 5.567 -5.118 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -4.844 6.287 -3.554 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -4.822 3.626 -1.993 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -6.120 4.836 -1.857 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -6.511 3.158 -2.301 1.00 0.00 H new ATOM 1095 N GLN A 72 -7.953 2.572 -4.506 1.00 0.00 N ATOM 1096 CA GLN A 72 -8.943 1.556 -4.171 1.00 0.00 C ATOM 1097 C GLN A 72 -8.377 0.552 -3.174 1.00 0.00 C ATOM 1098 O GLN A 72 -7.230 0.122 -3.294 1.00 0.00 O ATOM 1099 CB GLN A 72 -9.408 0.831 -5.436 1.00 0.00 C ATOM 1100 CG GLN A 72 -10.414 -0.276 -5.166 1.00 0.00 C ATOM 1101 CD GLN A 72 -10.821 -1.014 -6.426 1.00 0.00 C ATOM 1102 OE1 GLN A 72 -10.670 -0.501 -7.536 1.00 0.00 O ATOM 1103 NE2 GLN A 72 -11.340 -2.225 -6.261 1.00 0.00 N ATOM 0 H GLN A 72 -7.201 2.245 -5.112 1.00 0.00 H new ATOM 0 HA GLN A 72 -9.797 2.054 -3.711 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -9.852 1.556 -6.118 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -8.540 0.407 -5.942 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -9.987 -0.985 -4.456 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -11.301 0.150 -4.697 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -11.447 -2.611 -5.323 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -11.632 -2.770 -7.072 1.00 0.00 H new ATOM 1112 N VAL A 73 -9.188 0.183 -2.187 1.00 0.00 N ATOM 1113 CA VAL A 73 -8.768 -0.772 -1.169 1.00 0.00 C ATOM 1114 C VAL A 73 -9.388 -2.143 -1.412 1.00 0.00 C ATOM 1115 O VAL A 73 -10.605 -2.309 -1.330 1.00 0.00 O ATOM 1116 CB VAL A 73 -9.151 -0.290 0.243 1.00 0.00 C ATOM 1117 CG1 VAL A 73 -8.852 -1.368 1.274 1.00 0.00 C ATOM 1118 CG2 VAL A 73 -8.422 1.000 0.582 1.00 0.00 C ATOM 0 H VAL A 73 -10.140 0.531 -2.071 1.00 0.00 H new ATOM 0 HA VAL A 73 -7.683 -0.851 -1.237 1.00 0.00 H new ATOM 0 HB VAL A 73 -10.222 -0.090 0.261 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -9.129 -1.010 2.266 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -9.425 -2.265 1.039 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -7.788 -1.602 1.257 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -8.705 1.326 1.583 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -7.346 0.830 0.546 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -8.692 1.771 -0.140 1.00 0.00 H new ATOM 1128 N SER A 74 -8.543 -3.125 -1.712 1.00 0.00 N ATOM 1129 CA SER A 74 -9.008 -4.482 -1.970 1.00 0.00 C ATOM 1130 C SER A 74 -8.794 -5.372 -0.749 1.00 0.00 C ATOM 1131 O SER A 74 -9.642 -6.198 -0.414 1.00 0.00 O ATOM 1132 CB SER A 74 -8.279 -5.072 -3.178 1.00 0.00 C ATOM 1133 OG SER A 74 -8.839 -4.603 -4.393 1.00 0.00 O ATOM 0 H SER A 74 -7.532 -3.005 -1.782 1.00 0.00 H new ATOM 0 HA SER A 74 -10.076 -4.439 -2.184 1.00 0.00 H new ATOM 0 HB2 SER A 74 -7.223 -4.806 -3.135 1.00 0.00 H new ATOM 0 HB3 SER A 74 -8.335 -6.160 -3.144 1.00 0.00 H new ATOM 0 HG SER A 74 -8.354 -4.994 -5.149 1.00 0.00 H new ATOM 1139 N ARG A 75 -7.655 -5.195 -0.089 1.00 0.00 N ATOM 1140 CA ARG A 75 -7.328 -5.981 1.096 1.00 0.00 C ATOM 1141 C ARG A 75 -6.561 -5.141 2.112 1.00 0.00 C ATOM 1142 O ARG A 75 -5.421 -4.744 1.869 1.00 0.00 O ATOM 1143 CB ARG A 75 -6.502 -7.208 0.706 1.00 0.00 C ATOM 1144 CG ARG A 75 -6.201 -8.136 1.872 1.00 0.00 C ATOM 1145 CD ARG A 75 -5.278 -9.270 1.458 1.00 0.00 C ATOM 1146 NE ARG A 75 -3.949 -8.789 1.090 1.00 0.00 N ATOM 1147 CZ ARG A 75 -3.091 -9.487 0.355 1.00 0.00 C ATOM 1148 NH1 ARG A 75 -3.422 -10.693 -0.088 1.00 0.00 N ATOM 1149 NH2 ARG A 75 -1.900 -8.982 0.062 1.00 0.00 N ATOM 0 H ARG A 75 -6.943 -4.515 -0.354 1.00 0.00 H new ATOM 0 HA ARG A 75 -8.262 -6.309 1.553 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -7.037 -7.766 -0.063 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -5.562 -6.877 0.264 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -5.741 -7.568 2.681 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -7.133 -8.547 2.261 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -5.191 -9.984 2.277 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -5.716 -9.804 0.615 1.00 0.00 H new ATOM 0 HE ARG A 75 -3.664 -7.865 1.416 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -4.337 -11.085 0.136 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -2.762 -11.228 -0.652 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -1.641 -8.056 0.401 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -1.243 -9.520 -0.503 1.00 0.00 H new ATOM 1163 N GLU A 76 -7.194 -4.874 3.249 1.00 0.00 N ATOM 1164 CA GLU A 76 -6.571 -4.079 4.302 1.00 0.00 C ATOM 1165 C GLU A 76 -5.217 -4.663 4.695 1.00 0.00 C ATOM 1166 O GLU A 76 -5.019 -5.878 4.714 1.00 0.00 O ATOM 1167 CB GLU A 76 -7.484 -4.008 5.527 1.00 0.00 C ATOM 1168 CG GLU A 76 -8.651 -3.051 5.362 1.00 0.00 C ATOM 1169 CD GLU A 76 -8.227 -1.596 5.435 1.00 0.00 C ATOM 1170 OE1 GLU A 76 -7.749 -1.064 4.411 1.00 0.00 O ATOM 1171 OE2 GLU A 76 -8.373 -0.990 6.518 1.00 0.00 O ATOM 0 H GLU A 76 -8.137 -5.196 3.465 1.00 0.00 H new ATOM 0 HA GLU A 76 -6.415 -3.071 3.917 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -7.870 -5.005 5.740 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -6.895 -3.703 6.392 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -9.136 -3.237 4.404 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -9.391 -3.249 6.137 1.00 0.00 H new ATOM 1178 N PRO A 77 -4.262 -3.779 5.018 1.00 0.00 N ATOM 1179 CA PRO A 77 -2.911 -4.183 5.417 1.00 0.00 C ATOM 1180 C PRO A 77 -2.888 -4.854 6.785 1.00 0.00 C ATOM 1181 O PRO A 77 -3.840 -4.745 7.558 1.00 0.00 O ATOM 1182 CB PRO A 77 -2.143 -2.859 5.458 1.00 0.00 C ATOM 1183 CG PRO A 77 -3.185 -1.824 5.706 1.00 0.00 C ATOM 1184 CD PRO A 77 -4.429 -2.315 5.018 1.00 0.00 C ATOM 0 HA PRO A 77 -2.486 -4.917 4.733 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -1.392 -2.861 6.248 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -1.619 -2.676 4.520 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -3.357 -1.691 6.774 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -2.876 -0.857 5.310 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -5.330 -2.013 5.552 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -4.511 -1.920 4.006 1.00 0.00 H new ATOM 1192 N ARG A 78 -1.794 -5.550 7.079 1.00 0.00 N ATOM 1193 CA ARG A 78 -1.647 -6.241 8.355 1.00 0.00 C ATOM 1194 C ARG A 78 -0.254 -6.017 8.937 1.00 0.00 C ATOM 1195 O ARG A 78 0.755 -6.276 8.280 1.00 0.00 O ATOM 1196 CB ARG A 78 -1.903 -7.739 8.180 1.00 0.00 C ATOM 1197 CG ARG A 78 -1.944 -8.507 9.491 1.00 0.00 C ATOM 1198 CD ARG A 78 -3.179 -8.155 10.305 1.00 0.00 C ATOM 1199 NE ARG A 78 -4.377 -8.815 9.795 1.00 0.00 N ATOM 1200 CZ ARG A 78 -5.169 -8.289 8.867 1.00 0.00 C ATOM 1201 NH1 ARG A 78 -4.888 -7.100 8.349 1.00 0.00 N ATOM 1202 NH2 ARG A 78 -6.242 -8.951 8.453 1.00 0.00 N ATOM 0 H ARG A 78 -0.997 -5.650 6.451 1.00 0.00 H new ATOM 0 HA ARG A 78 -2.382 -5.832 9.048 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -2.849 -7.879 7.657 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -1.123 -8.161 7.546 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -1.934 -9.578 9.287 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -1.049 -8.285 10.072 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -3.022 -8.442 11.345 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -3.326 -7.075 10.291 1.00 0.00 H new ATOM 0 HE ARG A 78 -4.620 -9.731 10.172 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -4.063 -6.589 8.663 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -5.497 -6.697 7.637 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -6.460 -9.866 8.847 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -6.848 -8.545 7.740 1.00 0.00 H new ATOM 1216 N LEU A 79 -0.208 -5.533 10.173 1.00 0.00 N ATOM 1217 CA LEU A 79 1.061 -5.273 10.845 1.00 0.00 C ATOM 1218 C LEU A 79 1.254 -6.216 12.028 1.00 0.00 C ATOM 1219 O LEU A 79 2.353 -6.720 12.261 1.00 0.00 O ATOM 1220 CB LEU A 79 1.121 -3.820 11.321 1.00 0.00 C ATOM 1221 CG LEU A 79 -0.211 -3.199 11.745 1.00 0.00 C ATOM 1222 CD1 LEU A 79 0.020 -1.860 12.430 1.00 0.00 C ATOM 1223 CD2 LEU A 79 -1.128 -3.033 10.543 1.00 0.00 C ATOM 0 H LEU A 79 -1.034 -5.313 10.730 1.00 0.00 H new ATOM 0 HA LEU A 79 1.865 -5.448 10.130 1.00 0.00 H new ATOM 0 HB2 LEU A 79 1.811 -3.762 12.163 1.00 0.00 H new ATOM 0 HB3 LEU A 79 1.544 -3.213 10.520 1.00 0.00 H new ATOM 0 HG LEU A 79 -0.694 -3.870 12.455 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -0.938 -1.432 12.725 1.00 0.00 H new ATOM 0 HD12 LEU A 79 0.640 -2.006 13.315 1.00 0.00 H new ATOM 0 HD13 LEU A 79 0.524 -1.181 11.742 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -2.071 -2.590 10.863 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -0.652 -2.382 9.809 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -1.319 -4.008 10.094 1.00 0.00 H new ATOM 1235 N ARG A 80 0.178 -6.452 12.771 1.00 0.00 N ATOM 1236 CA ARG A 80 0.229 -7.336 13.930 1.00 0.00 C ATOM 1237 C ARG A 80 -1.176 -7.649 14.437 1.00 0.00 C ATOM 1238 O ARG A 80 -1.878 -6.769 14.937 1.00 0.00 O ATOM 1239 CB ARG A 80 1.056 -6.700 15.049 1.00 0.00 C ATOM 1240 CG ARG A 80 0.994 -7.462 16.361 1.00 0.00 C ATOM 1241 CD ARG A 80 1.835 -8.727 16.312 1.00 0.00 C ATOM 1242 NE ARG A 80 3.259 -8.434 16.181 1.00 0.00 N ATOM 1243 CZ ARG A 80 4.041 -8.117 17.206 1.00 0.00 C ATOM 1244 NH1 ARG A 80 3.540 -8.055 18.432 1.00 0.00 N ATOM 1245 NH2 ARG A 80 5.328 -7.863 17.008 1.00 0.00 N ATOM 0 H ARG A 80 -0.739 -6.044 12.592 1.00 0.00 H new ATOM 0 HA ARG A 80 0.703 -8.268 13.623 1.00 0.00 H new ATOM 0 HB2 ARG A 80 2.095 -6.632 14.727 1.00 0.00 H new ATOM 0 HB3 ARG A 80 0.706 -5.681 15.214 1.00 0.00 H new ATOM 0 HG2 ARG A 80 1.344 -6.822 17.171 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -0.041 -7.721 16.584 1.00 0.00 H new ATOM 0 HD2 ARG A 80 1.667 -9.309 17.218 1.00 0.00 H new ATOM 0 HD3 ARG A 80 1.513 -9.344 15.473 1.00 0.00 H new ATOM 0 HE ARG A 80 3.676 -8.475 15.251 1.00 0.00 H new ATOM 0 HH11 ARG A 80 2.552 -8.251 18.590 1.00 0.00 H new ATOM 0 HH12 ARG A 80 4.143 -7.811 19.218 1.00 0.00 H new ATOM 0 HH21 ARG A 80 5.718 -7.911 16.067 1.00 0.00 H new ATOM 0 HH22 ARG A 80 5.927 -7.620 17.797 1.00 0.00 H new ATOM 1259 N LEU A 81 -1.580 -8.907 14.305 1.00 0.00 N ATOM 1260 CA LEU A 81 -2.901 -9.337 14.749 1.00 0.00 C ATOM 1261 C LEU A 81 -3.156 -8.913 16.192 1.00 0.00 C ATOM 1262 O LEU A 81 -2.662 -9.540 17.130 1.00 0.00 O ATOM 1263 CB LEU A 81 -3.035 -10.856 14.622 1.00 0.00 C ATOM 1264 CG LEU A 81 -2.819 -11.433 13.223 1.00 0.00 C ATOM 1265 CD1 LEU A 81 -2.323 -12.868 13.308 1.00 0.00 C ATOM 1266 CD2 LEU A 81 -4.102 -11.357 12.409 1.00 0.00 C ATOM 0 H LEU A 81 -1.012 -9.648 13.894 1.00 0.00 H new ATOM 0 HA LEU A 81 -3.644 -8.858 14.112 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -2.320 -11.322 15.300 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -4.030 -11.143 14.962 1.00 0.00 H new ATOM 0 HG LEU A 81 -2.058 -10.837 12.719 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -2.175 -13.262 12.303 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -1.378 -12.895 13.851 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -3.060 -13.477 13.832 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -3.928 -11.772 11.416 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -4.885 -11.927 12.909 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -4.414 -10.317 12.317 1.00 0.00 H new ATOM 1278 N CYS A 82 -3.929 -7.846 16.362 1.00 0.00 N ATOM 1279 CA CYS A 82 -4.250 -7.338 17.691 1.00 0.00 C ATOM 1280 C CYS A 82 -5.760 -7.269 17.897 1.00 0.00 C ATOM 1281 O CYS A 82 -6.483 -6.705 17.074 1.00 0.00 O ATOM 1282 CB CYS A 82 -3.631 -5.955 17.895 1.00 0.00 C ATOM 1283 SG CYS A 82 -4.307 -4.676 16.809 1.00 0.00 S ATOM 0 H CYS A 82 -4.345 -7.316 15.596 1.00 0.00 H new ATOM 0 HA CYS A 82 -3.833 -8.026 18.426 1.00 0.00 H new ATOM 0 HB2 CYS A 82 -3.779 -5.652 18.931 1.00 0.00 H new ATOM 0 HB3 CYS A 82 -2.555 -6.023 17.733 1.00 0.00 H new ATOM 0 HG CYS A 82 -5.501 -5.019 16.426 1.00 0.00 H new ATOM 1289 N ASP A 83 -6.229 -7.845 18.997 1.00 0.00 N ATOM 1290 CA ASP A 83 -7.654 -7.849 19.311 1.00 0.00 C ATOM 1291 C ASP A 83 -7.884 -8.160 20.787 1.00 0.00 C ATOM 1292 O ASP A 83 -6.966 -8.572 21.495 1.00 0.00 O ATOM 1293 CB ASP A 83 -8.386 -8.871 18.440 1.00 0.00 C ATOM 1294 CG ASP A 83 -9.872 -8.924 18.736 1.00 0.00 C ATOM 1295 OD1 ASP A 83 -10.479 -7.849 18.918 1.00 0.00 O ATOM 1296 OD2 ASP A 83 -10.428 -10.042 18.786 1.00 0.00 O ATOM 0 H ASP A 83 -5.644 -8.316 19.687 1.00 0.00 H new ATOM 0 HA ASP A 83 -8.051 -6.855 19.102 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -8.236 -8.622 17.389 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -7.951 -9.858 18.599 1.00 0.00 H new ATOM 1301 N ASP A 84 -9.116 -7.959 21.243 1.00 0.00 N ATOM 1302 CA ASP A 84 -9.468 -8.218 22.634 1.00 0.00 C ATOM 1303 C ASP A 84 -10.565 -9.274 22.729 1.00 0.00 C ATOM 1304 O ASP A 84 -10.435 -10.253 23.463 1.00 0.00 O ATOM 1305 CB ASP A 84 -9.923 -6.927 23.316 1.00 0.00 C ATOM 1306 CG ASP A 84 -10.856 -7.187 24.482 1.00 0.00 C ATOM 1307 OD1 ASP A 84 -10.457 -7.923 25.409 1.00 0.00 O ATOM 1308 OD2 ASP A 84 -11.984 -6.653 24.470 1.00 0.00 O ATOM 0 H ASP A 84 -9.887 -7.618 20.669 1.00 0.00 H new ATOM 0 HA ASP A 84 -8.581 -8.595 23.144 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -9.050 -6.378 23.668 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -10.426 -6.292 22.587 1.00 0.00 H new ATOM 1313 N SER A 85 -11.646 -9.066 21.983 1.00 0.00 N ATOM 1314 CA SER A 85 -12.768 -9.997 21.988 1.00 0.00 C ATOM 1315 C SER A 85 -13.488 -9.986 20.644 1.00 0.00 C ATOM 1316 O SER A 85 -14.174 -9.023 20.302 1.00 0.00 O ATOM 1317 CB SER A 85 -13.748 -9.641 23.108 1.00 0.00 C ATOM 1318 OG SER A 85 -14.761 -10.625 23.230 1.00 0.00 O ATOM 0 H SER A 85 -11.768 -8.261 21.368 1.00 0.00 H new ATOM 0 HA SER A 85 -12.377 -10.999 22.163 1.00 0.00 H new ATOM 0 HB2 SER A 85 -13.210 -9.550 24.051 1.00 0.00 H new ATOM 0 HB3 SER A 85 -14.201 -8.671 22.904 1.00 0.00 H new ATOM 0 HG SER A 85 -15.374 -10.376 23.953 1.00 0.00 H new ATOM 1324 N GLY A 86 -13.328 -11.064 19.883 1.00 0.00 N ATOM 1325 CA GLY A 86 -13.968 -11.159 18.585 1.00 0.00 C ATOM 1326 C GLY A 86 -14.755 -12.444 18.419 1.00 0.00 C ATOM 1327 O GLY A 86 -14.389 -13.493 18.949 1.00 0.00 O ATOM 0 H GLY A 86 -12.766 -11.874 20.143 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -14.635 -10.308 18.449 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -13.210 -11.097 17.804 1.00 0.00 H new ATOM 1331 N PRO A 87 -15.864 -12.371 17.668 1.00 0.00 N ATOM 1332 CA PRO A 87 -16.727 -13.528 17.417 1.00 0.00 C ATOM 1333 C PRO A 87 -16.065 -14.561 16.512 1.00 0.00 C ATOM 1334 O PRO A 87 -15.885 -14.329 15.317 1.00 0.00 O ATOM 1335 CB PRO A 87 -17.949 -12.917 16.726 1.00 0.00 C ATOM 1336 CG PRO A 87 -17.440 -11.666 16.095 1.00 0.00 C ATOM 1337 CD PRO A 87 -16.359 -11.153 17.006 1.00 0.00 C ATOM 0 HA PRO A 87 -16.964 -14.065 18.335 1.00 0.00 H new ATOM 0 HB2 PRO A 87 -18.364 -13.596 15.981 1.00 0.00 H new ATOM 0 HB3 PRO A 87 -18.744 -12.705 17.441 1.00 0.00 H new ATOM 0 HG2 PRO A 87 -17.048 -11.864 15.097 1.00 0.00 H new ATOM 0 HG3 PRO A 87 -18.238 -10.932 15.984 1.00 0.00 H new ATOM 0 HD2 PRO A 87 -15.569 -10.649 16.449 1.00 0.00 H new ATOM 0 HD3 PRO A 87 -16.749 -10.434 17.727 1.00 0.00 H new ATOM 1345 N SER A 88 -15.705 -15.703 17.089 1.00 0.00 N ATOM 1346 CA SER A 88 -15.058 -16.771 16.334 1.00 0.00 C ATOM 1347 C SER A 88 -16.082 -17.556 15.518 1.00 0.00 C ATOM 1348 O SER A 88 -16.994 -18.170 16.072 1.00 0.00 O ATOM 1349 CB SER A 88 -14.313 -17.714 17.281 1.00 0.00 C ATOM 1350 OG SER A 88 -13.191 -18.296 16.640 1.00 0.00 O ATOM 0 H SER A 88 -15.850 -15.913 18.077 1.00 0.00 H new ATOM 0 HA SER A 88 -14.343 -16.317 15.648 1.00 0.00 H new ATOM 0 HB2 SER A 88 -13.987 -17.165 18.165 1.00 0.00 H new ATOM 0 HB3 SER A 88 -14.988 -18.498 17.624 1.00 0.00 H new ATOM 0 HG SER A 88 -12.730 -18.893 17.266 1.00 0.00 H new ATOM 1356 N SER A 89 -15.924 -17.529 14.199 1.00 0.00 N ATOM 1357 CA SER A 89 -16.835 -18.233 13.305 1.00 0.00 C ATOM 1358 C SER A 89 -18.285 -17.868 13.609 1.00 0.00 C ATOM 1359 O SER A 89 -19.165 -18.728 13.622 1.00 0.00 O ATOM 1360 CB SER A 89 -16.642 -19.745 13.434 1.00 0.00 C ATOM 1361 OG SER A 89 -16.957 -20.405 12.220 1.00 0.00 O ATOM 0 H SER A 89 -15.173 -17.027 13.725 1.00 0.00 H new ATOM 0 HA SER A 89 -16.608 -17.930 12.283 1.00 0.00 H new ATOM 0 HB2 SER A 89 -15.610 -19.961 13.712 1.00 0.00 H new ATOM 0 HB3 SER A 89 -17.274 -20.128 14.235 1.00 0.00 H new ATOM 0 HG SER A 89 -16.824 -21.370 12.328 1.00 0.00 H new ATOM 1367 N GLY A 90 -18.526 -16.584 13.854 1.00 0.00 N ATOM 1368 CA GLY A 90 -19.870 -16.125 14.155 1.00 0.00 C ATOM 1369 C GLY A 90 -20.362 -15.083 13.170 1.00 0.00 C ATOM 1370 O GLY A 90 -21.036 -14.127 13.552 1.00 0.00 O ATOM 0 H GLY A 90 -17.815 -15.853 13.850 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -20.551 -16.976 14.149 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -19.891 -15.707 15.162 1.00 0.00 H new TER 1374 GLY A 90