USER MOD reduce.3.24.130724 H: found=0, std=0, add=668, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 665 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 67 THR OG1 : rot 132:sc= -1.39 USER MOD Set 1.2: A 70 SER OG : rot -93:sc= 0.997 USER MOD Single : A 1 GLY N :NH3+ -126:sc= 0.0613 (180deg=0) USER MOD Single : A 2 SER OG : rot 1:sc= 0.956 USER MOD Single : A 3 SER OG : rot 49:sc= 0.00543 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 HIS : no HD1:sc= -0.387 X(o=-0.39,f=-0.25) USER MOD Single : A 9 GLN : amide:sc= -1.48 K(o=-1.5,f=0.49) USER MOD Single : A 10 GLN : amide:sc= -0.172 K(o=-0.17,f=-0.91) USER MOD Single : A 11 GLN : amide:sc= -0.0133 X(o=-0.013,f=0) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 15 MET CE :methyl -152:sc= -1.06 (180deg=-2.49) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 TYR OH : rot 180:sc= -0.169 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 MET CE :methyl 161:sc= -3.41 (180deg=-4.68!) USER MOD Single : A 36 GLN : amide:sc= -0.111 K(o=-0.11,f=-2.1!) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 41 GLN : amide:sc= -0.0197 K(o=-0.02,f=-3!) USER MOD Single : A 42 GLN : amide:sc=-0.00179 X(o=-0.0018,f=-0.11) USER MOD Single : A 44 SER OG : rot -86:sc= -7.86! USER MOD Single : A 46 CYS SG : rot -38:sc= 0.143 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot 129:sc= 1.11 USER MOD Single : A 62 CYS SG : rot 52:sc= -3.05! USER MOD Single : A 63 MET CE :methyl -122:sc= -0.287 (180deg=-0.7) USER MOD Single : A 65 THR OG1 : rot 90:sc= -0.481 USER MOD Single : A 72 GLN : amide:sc= -2.32! K(o=-2.3!,f=-1.4) USER MOD Single : A 73 SER OG : rot 97:sc= 1.22 USER MOD Single : A 75 LYS NZ :NH3+ 150:sc= -1.81 (180deg=-3.07!) USER MOD Single : A 80 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot -67:sc= 0.408 USER MOD Single : A 91 SER OG : rot 26:sc= 0.467! USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 20.145 -30.379 -22.738 1.00 0.00 N ATOM 2 CA GLY A 1 18.809 -30.541 -22.190 1.00 0.00 C ATOM 3 C GLY A 1 18.865 -31.085 -20.761 1.00 0.00 C ATOM 4 O GLY A 1 19.873 -30.932 -20.074 1.00 0.00 O ATOM 0 H1 GLY A 1 20.264 -29.404 -23.081 1.00 0.00 H new ATOM 0 H2 GLY A 1 20.850 -30.574 -21.998 1.00 0.00 H new ATOM 0 H3 GLY A 1 20.279 -31.042 -23.528 1.00 0.00 H new ATOM 0 HA2 GLY A 1 18.290 -29.582 -22.198 1.00 0.00 H new ATOM 0 HA3 GLY A 1 18.234 -31.220 -22.819 1.00 0.00 H new ATOM 8 N SER A 2 17.768 -31.710 -20.357 1.00 0.00 N ATOM 9 CA SER A 2 17.680 -32.277 -19.023 1.00 0.00 C ATOM 10 C SER A 2 17.904 -31.186 -17.974 1.00 0.00 C ATOM 11 O SER A 2 18.909 -31.198 -17.266 1.00 0.00 O ATOM 12 CB SER A 2 18.693 -33.408 -18.836 1.00 0.00 C ATOM 13 OG SER A 2 20.013 -32.914 -18.630 1.00 0.00 O ATOM 0 H SER A 2 16.934 -31.836 -20.930 1.00 0.00 H new ATOM 0 HA SER A 2 16.682 -32.695 -18.896 1.00 0.00 H new ATOM 0 HB2 SER A 2 18.398 -34.021 -17.984 1.00 0.00 H new ATOM 0 HB3 SER A 2 18.681 -34.054 -19.714 1.00 0.00 H new ATOM 0 HG SER A 2 20.001 -31.934 -18.638 1.00 0.00 H new ATOM 19 N SER A 3 16.950 -30.269 -17.907 1.00 0.00 N ATOM 20 CA SER A 3 17.030 -29.173 -16.957 1.00 0.00 C ATOM 21 C SER A 3 15.663 -28.499 -16.818 1.00 0.00 C ATOM 22 O SER A 3 15.231 -27.774 -17.712 1.00 0.00 O ATOM 23 CB SER A 3 18.085 -28.150 -17.384 1.00 0.00 C ATOM 24 OG SER A 3 19.223 -28.167 -16.527 1.00 0.00 O ATOM 0 H SER A 3 16.117 -30.263 -18.496 1.00 0.00 H new ATOM 0 HA SER A 3 17.327 -29.580 -15.990 1.00 0.00 H new ATOM 0 HB2 SER A 3 18.399 -28.358 -18.407 1.00 0.00 H new ATOM 0 HB3 SER A 3 17.645 -27.153 -17.382 1.00 0.00 H new ATOM 0 HG SER A 3 19.528 -29.091 -16.407 1.00 0.00 H new ATOM 30 N GLY A 4 15.022 -28.763 -15.689 1.00 0.00 N ATOM 31 CA GLY A 4 13.713 -28.192 -15.421 1.00 0.00 C ATOM 32 C GLY A 4 13.123 -28.755 -14.127 1.00 0.00 C ATOM 33 O GLY A 4 12.367 -29.725 -14.155 1.00 0.00 O ATOM 0 H GLY A 4 15.385 -29.365 -14.949 1.00 0.00 H new ATOM 0 HA2 GLY A 4 13.794 -27.108 -15.346 1.00 0.00 H new ATOM 0 HA3 GLY A 4 13.042 -28.405 -16.253 1.00 0.00 H new ATOM 37 N SER A 5 13.491 -28.122 -13.022 1.00 0.00 N ATOM 38 CA SER A 5 13.008 -28.547 -11.720 1.00 0.00 C ATOM 39 C SER A 5 13.290 -27.463 -10.677 1.00 0.00 C ATOM 40 O SER A 5 14.347 -26.835 -10.701 1.00 0.00 O ATOM 41 CB SER A 5 13.653 -29.869 -11.298 1.00 0.00 C ATOM 42 OG SER A 5 15.067 -29.755 -11.165 1.00 0.00 O ATOM 0 H SER A 5 14.118 -27.318 -13.002 1.00 0.00 H new ATOM 0 HA SER A 5 11.932 -28.704 -11.790 1.00 0.00 H new ATOM 0 HB2 SER A 5 13.225 -30.195 -10.350 1.00 0.00 H new ATOM 0 HB3 SER A 5 13.419 -30.638 -12.034 1.00 0.00 H new ATOM 0 HG SER A 5 15.441 -30.619 -10.893 1.00 0.00 H new ATOM 48 N SER A 6 12.326 -27.278 -9.787 1.00 0.00 N ATOM 49 CA SER A 6 12.457 -26.281 -8.739 1.00 0.00 C ATOM 50 C SER A 6 11.955 -26.849 -7.410 1.00 0.00 C ATOM 51 O SER A 6 11.052 -27.684 -7.390 1.00 0.00 O ATOM 52 CB SER A 6 11.692 -25.004 -9.093 1.00 0.00 C ATOM 53 OG SER A 6 10.284 -25.168 -8.947 1.00 0.00 O ATOM 0 H SER A 6 11.451 -27.802 -9.770 1.00 0.00 H new ATOM 0 HA SER A 6 13.512 -26.025 -8.642 1.00 0.00 H new ATOM 0 HB2 SER A 6 12.030 -24.189 -8.453 1.00 0.00 H new ATOM 0 HB3 SER A 6 11.919 -24.718 -10.120 1.00 0.00 H new ATOM 0 HG SER A 6 9.831 -24.331 -9.180 1.00 0.00 H new ATOM 59 N GLY A 7 12.561 -26.374 -6.332 1.00 0.00 N ATOM 60 CA GLY A 7 12.186 -26.825 -5.003 1.00 0.00 C ATOM 61 C GLY A 7 12.973 -26.073 -3.927 1.00 0.00 C ATOM 62 O GLY A 7 13.982 -26.572 -3.429 1.00 0.00 O ATOM 0 H GLY A 7 13.309 -25.681 -6.352 1.00 0.00 H new ATOM 0 HA2 GLY A 7 11.118 -26.672 -4.851 1.00 0.00 H new ATOM 0 HA3 GLY A 7 12.371 -27.895 -4.913 1.00 0.00 H new ATOM 66 N HIS A 8 12.483 -24.887 -3.601 1.00 0.00 N ATOM 67 CA HIS A 8 13.128 -24.062 -2.593 1.00 0.00 C ATOM 68 C HIS A 8 12.347 -22.758 -2.421 1.00 0.00 C ATOM 69 O HIS A 8 12.018 -22.093 -3.403 1.00 0.00 O ATOM 70 CB HIS A 8 14.600 -23.831 -2.941 1.00 0.00 C ATOM 71 CG HIS A 8 15.567 -24.520 -2.008 1.00 0.00 C ATOM 72 ND1 HIS A 8 15.656 -24.214 -0.661 1.00 0.00 N ATOM 73 CD2 HIS A 8 16.484 -25.502 -2.242 1.00 0.00 C ATOM 74 CE1 HIS A 8 16.588 -24.983 -0.119 1.00 0.00 C ATOM 75 NE2 HIS A 8 17.101 -25.780 -1.100 1.00 0.00 N ATOM 0 H HIS A 8 11.647 -24.477 -4.017 1.00 0.00 H new ATOM 0 HA HIS A 8 13.119 -24.579 -1.634 1.00 0.00 H new ATOM 0 HB2 HIS A 8 14.781 -24.179 -3.958 1.00 0.00 H new ATOM 0 HB3 HIS A 8 14.801 -22.760 -2.930 1.00 0.00 H new ATOM 0 HD2 HIS A 8 16.676 -25.973 -3.195 1.00 0.00 H new ATOM 0 HE1 HIS A 8 16.889 -24.980 0.918 1.00 0.00 H new ATOM 0 HE2 HIS A 8 17.837 -26.475 -0.976 1.00 0.00 H new ATOM 83 N GLN A 9 12.073 -22.430 -1.167 1.00 0.00 N ATOM 84 CA GLN A 9 11.337 -21.217 -0.854 1.00 0.00 C ATOM 85 C GLN A 9 11.627 -20.776 0.582 1.00 0.00 C ATOM 86 O GLN A 9 12.105 -19.666 0.810 1.00 0.00 O ATOM 87 CB GLN A 9 9.836 -21.413 -1.075 1.00 0.00 C ATOM 88 CG GLN A 9 9.394 -20.807 -2.408 1.00 0.00 C ATOM 89 CD GLN A 9 8.964 -21.897 -3.391 1.00 0.00 C ATOM 90 OE1 GLN A 9 9.753 -22.425 -4.158 1.00 0.00 O ATOM 91 NE2 GLN A 9 7.672 -22.205 -3.326 1.00 0.00 N ATOM 0 H GLN A 9 12.348 -22.983 -0.355 1.00 0.00 H new ATOM 0 HA GLN A 9 11.670 -20.429 -1.530 1.00 0.00 H new ATOM 0 HB2 GLN A 9 9.598 -22.477 -1.058 1.00 0.00 H new ATOM 0 HB3 GLN A 9 9.281 -20.950 -0.259 1.00 0.00 H new ATOM 0 HG2 GLN A 9 8.567 -20.116 -2.241 1.00 0.00 H new ATOM 0 HG3 GLN A 9 10.212 -20.228 -2.837 1.00 0.00 H new ATOM 0 HE21 GLN A 9 7.066 -21.725 -2.661 1.00 0.00 H new ATOM 0 HE22 GLN A 9 7.287 -22.922 -3.941 1.00 0.00 H new ATOM 100 N GLN A 10 11.325 -21.669 1.514 1.00 0.00 N ATOM 101 CA GLN A 10 11.547 -21.386 2.921 1.00 0.00 C ATOM 102 C GLN A 10 10.664 -20.221 3.374 1.00 0.00 C ATOM 103 O GLN A 10 10.806 -19.102 2.884 1.00 0.00 O ATOM 104 CB GLN A 10 13.023 -21.093 3.196 1.00 0.00 C ATOM 105 CG GLN A 10 13.763 -22.362 3.625 1.00 0.00 C ATOM 106 CD GLN A 10 14.553 -22.126 4.914 1.00 0.00 C ATOM 107 OE1 GLN A 10 14.161 -21.364 5.782 1.00 0.00 O ATOM 108 NE2 GLN A 10 15.684 -22.821 4.990 1.00 0.00 N ATOM 0 H GLN A 10 10.928 -22.589 1.321 1.00 0.00 H new ATOM 0 HA GLN A 10 11.273 -22.270 3.496 1.00 0.00 H new ATOM 0 HB2 GLN A 10 13.489 -20.681 2.301 1.00 0.00 H new ATOM 0 HB3 GLN A 10 13.108 -20.337 3.976 1.00 0.00 H new ATOM 0 HG2 GLN A 10 13.048 -23.171 3.775 1.00 0.00 H new ATOM 0 HG3 GLN A 10 14.440 -22.678 2.832 1.00 0.00 H new ATOM 0 HE21 GLN A 10 15.953 -23.442 4.227 1.00 0.00 H new ATOM 0 HE22 GLN A 10 16.282 -22.733 5.812 1.00 0.00 H new ATOM 117 N GLN A 11 9.770 -20.525 4.305 1.00 0.00 N ATOM 118 CA GLN A 11 8.864 -19.517 4.829 1.00 0.00 C ATOM 119 C GLN A 11 9.571 -18.665 5.885 1.00 0.00 C ATOM 120 O GLN A 11 10.538 -19.110 6.501 1.00 0.00 O ATOM 121 CB GLN A 11 7.600 -20.161 5.402 1.00 0.00 C ATOM 122 CG GLN A 11 6.343 -19.480 4.857 1.00 0.00 C ATOM 123 CD GLN A 11 5.154 -19.692 5.797 1.00 0.00 C ATOM 124 OE1 GLN A 11 4.649 -20.791 5.963 1.00 0.00 O ATOM 125 NE2 GLN A 11 4.736 -18.583 6.400 1.00 0.00 N ATOM 0 H GLN A 11 9.654 -21.454 4.709 1.00 0.00 H new ATOM 0 HA GLN A 11 8.562 -18.867 4.008 1.00 0.00 H new ATOM 0 HB2 GLN A 11 7.582 -21.221 5.150 1.00 0.00 H new ATOM 0 HB3 GLN A 11 7.613 -20.092 6.490 1.00 0.00 H new ATOM 0 HG2 GLN A 11 6.528 -18.413 4.733 1.00 0.00 H new ATOM 0 HG3 GLN A 11 6.107 -19.879 3.871 1.00 0.00 H new ATOM 0 HE21 GLN A 11 5.204 -17.695 6.216 1.00 0.00 H new ATOM 0 HE22 GLN A 11 3.948 -18.620 7.046 1.00 0.00 H new ATOM 134 N ARG A 12 9.062 -17.454 6.060 1.00 0.00 N ATOM 135 CA ARG A 12 9.633 -16.536 7.030 1.00 0.00 C ATOM 136 C ARG A 12 8.522 -15.829 7.810 1.00 0.00 C ATOM 137 O ARG A 12 7.342 -16.012 7.518 1.00 0.00 O ATOM 138 CB ARG A 12 10.513 -15.488 6.346 1.00 0.00 C ATOM 139 CG ARG A 12 11.947 -15.997 6.184 1.00 0.00 C ATOM 140 CD ARG A 12 12.452 -15.767 4.758 1.00 0.00 C ATOM 141 NE ARG A 12 13.181 -14.482 4.680 1.00 0.00 N ATOM 142 CZ ARG A 12 13.695 -13.976 3.550 1.00 0.00 C ATOM 143 NH1 ARG A 12 13.563 -14.645 2.397 1.00 0.00 N ATOM 144 NH2 ARG A 12 14.340 -12.802 3.574 1.00 0.00 N ATOM 0 H ARG A 12 8.261 -17.088 5.546 1.00 0.00 H new ATOM 0 HA ARG A 12 10.249 -17.119 7.715 1.00 0.00 H new ATOM 0 HB2 ARG A 12 10.098 -15.242 5.369 1.00 0.00 H new ATOM 0 HB3 ARG A 12 10.514 -14.569 6.933 1.00 0.00 H new ATOM 0 HG2 ARG A 12 12.600 -15.487 6.892 1.00 0.00 H new ATOM 0 HG3 ARG A 12 11.989 -17.060 6.421 1.00 0.00 H new ATOM 0 HD2 ARG A 12 13.108 -16.585 4.459 1.00 0.00 H new ATOM 0 HD3 ARG A 12 11.613 -15.761 4.063 1.00 0.00 H new ATOM 0 HE ARG A 12 13.300 -13.947 5.540 1.00 0.00 H new ATOM 0 HH11 ARG A 12 13.072 -15.539 2.379 1.00 0.00 H new ATOM 0 HH12 ARG A 12 13.954 -14.261 1.537 1.00 0.00 H new ATOM 0 HH21 ARG A 12 14.440 -12.293 4.452 1.00 0.00 H new ATOM 0 HH22 ARG A 12 14.731 -12.417 2.714 1.00 0.00 H new ATOM 158 N SER A 13 8.940 -15.035 8.785 1.00 0.00 N ATOM 159 CA SER A 13 7.996 -14.299 9.608 1.00 0.00 C ATOM 160 C SER A 13 7.512 -13.053 8.863 1.00 0.00 C ATOM 161 O SER A 13 8.001 -12.746 7.777 1.00 0.00 O ATOM 162 CB SER A 13 8.621 -13.908 10.948 1.00 0.00 C ATOM 163 OG SER A 13 8.595 -14.983 11.883 1.00 0.00 O ATOM 0 H SER A 13 9.920 -14.885 9.023 1.00 0.00 H new ATOM 0 HA SER A 13 7.143 -14.946 9.812 1.00 0.00 H new ATOM 0 HB2 SER A 13 9.652 -13.591 10.789 1.00 0.00 H new ATOM 0 HB3 SER A 13 8.085 -13.054 11.362 1.00 0.00 H new ATOM 0 HG SER A 13 9.005 -14.694 12.725 1.00 0.00 H new ATOM 169 N VAL A 14 6.558 -12.369 9.477 1.00 0.00 N ATOM 170 CA VAL A 14 6.003 -11.163 8.886 1.00 0.00 C ATOM 171 C VAL A 14 6.925 -9.980 9.191 1.00 0.00 C ATOM 172 O VAL A 14 7.536 -9.924 10.257 1.00 0.00 O ATOM 173 CB VAL A 14 4.572 -10.949 9.381 1.00 0.00 C ATOM 174 CG1 VAL A 14 3.953 -9.702 8.746 1.00 0.00 C ATOM 175 CG2 VAL A 14 3.709 -12.185 9.116 1.00 0.00 C ATOM 0 H VAL A 14 6.155 -12.627 10.378 1.00 0.00 H new ATOM 0 HA VAL A 14 5.946 -11.260 7.802 1.00 0.00 H new ATOM 0 HB VAL A 14 4.611 -10.792 10.459 1.00 0.00 H new ATOM 0 HG11 VAL A 14 2.935 -9.573 9.115 1.00 0.00 H new ATOM 0 HG12 VAL A 14 4.548 -8.827 9.008 1.00 0.00 H new ATOM 0 HG13 VAL A 14 3.934 -9.817 7.662 1.00 0.00 H new ATOM 0 HG21 VAL A 14 2.696 -12.006 9.478 1.00 0.00 H new ATOM 0 HG22 VAL A 14 3.682 -12.387 8.045 1.00 0.00 H new ATOM 0 HG23 VAL A 14 4.134 -13.044 9.636 1.00 0.00 H new ATOM 185 N MET A 15 6.996 -9.065 8.236 1.00 0.00 N ATOM 186 CA MET A 15 7.832 -7.887 8.389 1.00 0.00 C ATOM 187 C MET A 15 7.026 -6.608 8.154 1.00 0.00 C ATOM 188 O MET A 15 5.957 -6.646 7.547 1.00 0.00 O ATOM 189 CB MET A 15 8.992 -7.951 7.393 1.00 0.00 C ATOM 190 CG MET A 15 8.479 -8.164 5.968 1.00 0.00 C ATOM 191 SD MET A 15 9.510 -7.280 4.809 1.00 0.00 S ATOM 192 CE MET A 15 9.054 -5.600 5.207 1.00 0.00 C ATOM 0 H MET A 15 6.488 -9.116 7.353 1.00 0.00 H new ATOM 0 HA MET A 15 8.218 -7.868 9.408 1.00 0.00 H new ATOM 0 HB2 MET A 15 9.569 -7.028 7.441 1.00 0.00 H new ATOM 0 HB3 MET A 15 9.666 -8.763 7.666 1.00 0.00 H new ATOM 0 HG2 MET A 15 8.478 -9.227 5.728 1.00 0.00 H new ATOM 0 HG3 MET A 15 7.449 -7.818 5.888 1.00 0.00 H new ATOM 0 HE1 MET A 15 9.181 -4.970 4.326 1.00 0.00 H new ATOM 0 HE2 MET A 15 8.012 -5.572 5.527 1.00 0.00 H new ATOM 0 HE3 MET A 15 9.690 -5.231 6.011 1.00 0.00 H new ATOM 202 N THR A 16 7.570 -5.504 8.646 1.00 0.00 N ATOM 203 CA THR A 16 6.915 -4.216 8.496 1.00 0.00 C ATOM 204 C THR A 16 7.867 -3.205 7.853 1.00 0.00 C ATOM 205 O THR A 16 8.959 -2.963 8.365 1.00 0.00 O ATOM 206 CB THR A 16 6.407 -3.782 9.872 1.00 0.00 C ATOM 207 OG1 THR A 16 5.630 -4.889 10.321 1.00 0.00 O ATOM 208 CG2 THR A 16 5.401 -2.631 9.788 1.00 0.00 C ATOM 0 H THR A 16 8.457 -5.475 9.149 1.00 0.00 H new ATOM 0 HA THR A 16 6.060 -4.283 7.823 1.00 0.00 H new ATOM 0 HB THR A 16 7.252 -3.482 10.492 1.00 0.00 H new ATOM 0 HG1 THR A 16 5.263 -4.693 11.208 1.00 0.00 H new ATOM 0 HG21 THR A 16 5.072 -2.361 10.792 1.00 0.00 H new ATOM 0 HG22 THR A 16 5.873 -1.769 9.317 1.00 0.00 H new ATOM 0 HG23 THR A 16 4.541 -2.942 9.195 1.00 0.00 H new ATOM 216 N GLU A 17 7.419 -2.643 6.741 1.00 0.00 N ATOM 217 CA GLU A 17 8.217 -1.664 6.023 1.00 0.00 C ATOM 218 C GLU A 17 7.495 -0.315 5.985 1.00 0.00 C ATOM 219 O GLU A 17 6.337 -0.215 6.388 1.00 0.00 O ATOM 220 CB GLU A 17 8.542 -2.151 4.610 1.00 0.00 C ATOM 221 CG GLU A 17 10.048 -2.097 4.344 1.00 0.00 C ATOM 222 CD GLU A 17 10.350 -2.295 2.858 1.00 0.00 C ATOM 223 OE1 GLU A 17 10.167 -1.313 2.106 1.00 0.00 O ATOM 224 OE2 GLU A 17 10.757 -3.424 2.507 1.00 0.00 O ATOM 0 H GLU A 17 6.513 -2.847 6.319 1.00 0.00 H new ATOM 0 HA GLU A 17 9.160 -1.535 6.553 1.00 0.00 H new ATOM 0 HB2 GLU A 17 8.183 -3.172 4.482 1.00 0.00 H new ATOM 0 HB3 GLU A 17 8.018 -1.535 3.880 1.00 0.00 H new ATOM 0 HG2 GLU A 17 10.445 -1.137 4.675 1.00 0.00 H new ATOM 0 HG3 GLU A 17 10.552 -2.868 4.927 1.00 0.00 H new ATOM 231 N GLU A 18 8.208 0.689 5.495 1.00 0.00 N ATOM 232 CA GLU A 18 7.650 2.026 5.399 1.00 0.00 C ATOM 233 C GLU A 18 7.763 2.547 3.965 1.00 0.00 C ATOM 234 O GLU A 18 8.820 3.025 3.556 1.00 0.00 O ATOM 235 CB GLU A 18 8.333 2.978 6.383 1.00 0.00 C ATOM 236 CG GLU A 18 7.810 4.406 6.218 1.00 0.00 C ATOM 237 CD GLU A 18 7.998 5.211 7.505 1.00 0.00 C ATOM 238 OE1 GLU A 18 9.092 5.090 8.096 1.00 0.00 O ATOM 239 OE2 GLU A 18 7.042 5.930 7.869 1.00 0.00 O ATOM 0 H GLU A 18 9.168 0.602 5.160 1.00 0.00 H new ATOM 0 HA GLU A 18 6.594 1.977 5.665 1.00 0.00 H new ATOM 0 HB2 GLU A 18 8.158 2.639 7.404 1.00 0.00 H new ATOM 0 HB3 GLU A 18 9.411 2.961 6.222 1.00 0.00 H new ATOM 0 HG2 GLU A 18 8.335 4.897 5.398 1.00 0.00 H new ATOM 0 HG3 GLU A 18 6.753 4.382 5.951 1.00 0.00 H new ATOM 246 N TYR A 19 6.660 2.436 3.240 1.00 0.00 N ATOM 247 CA TYR A 19 6.622 2.890 1.860 1.00 0.00 C ATOM 248 C TYR A 19 5.885 4.225 1.741 1.00 0.00 C ATOM 249 O TYR A 19 4.726 4.335 2.139 1.00 0.00 O ATOM 250 CB TYR A 19 5.847 1.822 1.086 1.00 0.00 C ATOM 251 CG TYR A 19 5.970 1.942 -0.434 1.00 0.00 C ATOM 252 CD1 TYR A 19 7.165 1.640 -1.056 1.00 0.00 C ATOM 253 CD2 TYR A 19 4.887 2.353 -1.184 1.00 0.00 C ATOM 254 CE1 TYR A 19 7.281 1.754 -2.486 1.00 0.00 C ATOM 255 CE2 TYR A 19 5.003 2.466 -2.615 1.00 0.00 C ATOM 256 CZ TYR A 19 6.194 2.161 -3.196 1.00 0.00 C ATOM 257 OH TYR A 19 6.304 2.268 -4.547 1.00 0.00 O ATOM 0 H TYR A 19 5.785 2.038 3.582 1.00 0.00 H new ATOM 0 HA TYR A 19 7.632 3.035 1.476 1.00 0.00 H new ATOM 0 HB2 TYR A 19 6.201 0.838 1.392 1.00 0.00 H new ATOM 0 HB3 TYR A 19 4.794 1.882 1.361 1.00 0.00 H new ATOM 0 HD1 TYR A 19 8.013 1.318 -0.469 1.00 0.00 H new ATOM 0 HD2 TYR A 19 3.952 2.590 -0.698 1.00 0.00 H new ATOM 0 HE1 TYR A 19 8.210 1.522 -2.985 1.00 0.00 H new ATOM 0 HE2 TYR A 19 4.163 2.786 -3.213 1.00 0.00 H new ATOM 0 HH TYR A 19 5.450 2.568 -4.922 1.00 0.00 H new ATOM 267 N LYS A 20 6.587 5.206 1.193 1.00 0.00 N ATOM 268 CA LYS A 20 6.013 6.529 1.018 1.00 0.00 C ATOM 269 C LYS A 20 5.424 6.642 -0.390 1.00 0.00 C ATOM 270 O LYS A 20 5.979 6.099 -1.344 1.00 0.00 O ATOM 271 CB LYS A 20 7.049 7.609 1.339 1.00 0.00 C ATOM 272 CG LYS A 20 7.121 7.868 2.845 1.00 0.00 C ATOM 273 CD LYS A 20 7.242 9.365 3.139 1.00 0.00 C ATOM 274 CE LYS A 20 8.428 9.647 4.064 1.00 0.00 C ATOM 275 NZ LYS A 20 8.252 10.948 4.749 1.00 0.00 N ATOM 0 H LYS A 20 7.548 5.111 0.864 1.00 0.00 H new ATOM 0 HA LYS A 20 5.194 6.685 1.721 1.00 0.00 H new ATOM 0 HB2 LYS A 20 8.028 7.300 0.972 1.00 0.00 H new ATOM 0 HB3 LYS A 20 6.791 8.532 0.819 1.00 0.00 H new ATOM 0 HG2 LYS A 20 6.229 7.470 3.329 1.00 0.00 H new ATOM 0 HG3 LYS A 20 7.976 7.340 3.268 1.00 0.00 H new ATOM 0 HD2 LYS A 20 7.366 9.914 2.205 1.00 0.00 H new ATOM 0 HD3 LYS A 20 6.322 9.724 3.601 1.00 0.00 H new ATOM 0 HE2 LYS A 20 8.519 8.850 4.802 1.00 0.00 H new ATOM 0 HE3 LYS A 20 9.353 9.655 3.487 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 9.065 11.125 5.373 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 8.187 11.707 4.041 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 7.380 10.927 5.315 1.00 0.00 H new ATOM 289 N VAL A 21 4.308 7.350 -0.474 1.00 0.00 N ATOM 290 CA VAL A 21 3.637 7.541 -1.749 1.00 0.00 C ATOM 291 C VAL A 21 3.163 8.992 -1.859 1.00 0.00 C ATOM 292 O VAL A 21 3.010 9.677 -0.849 1.00 0.00 O ATOM 293 CB VAL A 21 2.500 6.528 -1.899 1.00 0.00 C ATOM 294 CG1 VAL A 21 3.048 5.109 -2.059 1.00 0.00 C ATOM 295 CG2 VAL A 21 1.531 6.612 -0.718 1.00 0.00 C ATOM 0 H VAL A 21 3.851 7.799 0.320 1.00 0.00 H new ATOM 0 HA VAL A 21 4.326 7.361 -2.574 1.00 0.00 H new ATOM 0 HB VAL A 21 1.946 6.777 -2.804 1.00 0.00 H new ATOM 0 HG11 VAL A 21 2.219 4.409 -2.164 1.00 0.00 H new ATOM 0 HG12 VAL A 21 3.679 5.060 -2.947 1.00 0.00 H new ATOM 0 HG13 VAL A 21 3.637 4.845 -1.181 1.00 0.00 H new ATOM 0 HG21 VAL A 21 0.733 5.882 -0.850 1.00 0.00 H new ATOM 0 HG22 VAL A 21 2.066 6.401 0.208 1.00 0.00 H new ATOM 0 HG23 VAL A 21 1.103 7.613 -0.669 1.00 0.00 H new ATOM 305 N PRO A 22 2.939 9.429 -3.127 1.00 0.00 N ATOM 306 CA PRO A 22 2.486 10.786 -3.382 1.00 0.00 C ATOM 307 C PRO A 22 1.006 10.945 -3.029 1.00 0.00 C ATOM 308 O PRO A 22 0.149 10.291 -3.620 1.00 0.00 O ATOM 309 CB PRO A 22 2.774 11.026 -4.855 1.00 0.00 C ATOM 310 CG PRO A 22 2.946 9.650 -5.477 1.00 0.00 C ATOM 311 CD PRO A 22 3.110 8.646 -4.347 1.00 0.00 C ATOM 0 HA PRO A 22 2.998 11.524 -2.764 1.00 0.00 H new ATOM 0 HB2 PRO A 22 1.957 11.569 -5.329 1.00 0.00 H new ATOM 0 HB3 PRO A 22 3.674 11.628 -4.984 1.00 0.00 H new ATOM 0 HG2 PRO A 22 2.081 9.397 -6.090 1.00 0.00 H new ATOM 0 HG3 PRO A 22 3.817 9.633 -6.132 1.00 0.00 H new ATOM 0 HD2 PRO A 22 2.368 7.850 -4.414 1.00 0.00 H new ATOM 0 HD3 PRO A 22 4.091 8.171 -4.378 1.00 0.00 H new ATOM 319 N ASP A 23 0.752 11.819 -2.066 1.00 0.00 N ATOM 320 CA ASP A 23 -0.610 12.073 -1.626 1.00 0.00 C ATOM 321 C ASP A 23 -1.484 12.385 -2.842 1.00 0.00 C ATOM 322 O ASP A 23 -2.683 12.113 -2.836 1.00 0.00 O ATOM 323 CB ASP A 23 -0.669 13.274 -0.681 1.00 0.00 C ATOM 324 CG ASP A 23 -2.030 13.968 -0.601 1.00 0.00 C ATOM 325 OD1 ASP A 23 -3.000 13.274 -0.230 1.00 0.00 O ATOM 326 OD2 ASP A 23 -2.069 15.178 -0.914 1.00 0.00 O ATOM 0 H ASP A 23 1.466 12.360 -1.578 1.00 0.00 H new ATOM 0 HA ASP A 23 -0.966 11.185 -1.103 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -0.387 12.945 0.319 1.00 0.00 H new ATOM 0 HB3 ASP A 23 0.076 14.004 -0.998 1.00 0.00 H new ATOM 331 N GLY A 24 -0.849 12.951 -3.858 1.00 0.00 N ATOM 332 CA GLY A 24 -1.553 13.303 -5.079 1.00 0.00 C ATOM 333 C GLY A 24 -1.996 12.050 -5.837 1.00 0.00 C ATOM 334 O GLY A 24 -2.715 12.143 -6.831 1.00 0.00 O ATOM 0 H GLY A 24 0.146 13.175 -3.860 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -2.423 13.913 -4.838 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -0.906 13.907 -5.715 1.00 0.00 H new ATOM 338 N MET A 25 -1.547 10.907 -5.340 1.00 0.00 N ATOM 339 CA MET A 25 -1.888 9.637 -5.958 1.00 0.00 C ATOM 340 C MET A 25 -2.528 8.688 -4.943 1.00 0.00 C ATOM 341 O MET A 25 -3.480 7.979 -5.266 1.00 0.00 O ATOM 342 CB MET A 25 -0.624 8.994 -6.533 1.00 0.00 C ATOM 343 CG MET A 25 -0.028 9.857 -7.647 1.00 0.00 C ATOM 344 SD MET A 25 -1.239 10.114 -8.934 1.00 0.00 S ATOM 345 CE MET A 25 -1.188 8.518 -9.731 1.00 0.00 C ATOM 0 H MET A 25 -0.950 10.834 -4.516 1.00 0.00 H new ATOM 0 HA MET A 25 -2.607 9.823 -6.756 1.00 0.00 H new ATOM 0 HB2 MET A 25 0.112 8.858 -5.740 1.00 0.00 H new ATOM 0 HB3 MET A 25 -0.860 8.004 -6.922 1.00 0.00 H new ATOM 0 HG2 MET A 25 0.294 10.817 -7.242 1.00 0.00 H new ATOM 0 HG3 MET A 25 0.857 9.372 -8.060 1.00 0.00 H new ATOM 0 HE1 MET A 25 -2.092 8.378 -10.323 1.00 0.00 H new ATOM 0 HE2 MET A 25 -0.316 8.464 -10.382 1.00 0.00 H new ATOM 0 HE3 MET A 25 -1.125 7.736 -8.975 1.00 0.00 H new ATOM 355 N VAL A 26 -1.979 8.704 -3.738 1.00 0.00 N ATOM 356 CA VAL A 26 -2.485 7.853 -2.674 1.00 0.00 C ATOM 357 C VAL A 26 -4.014 7.904 -2.669 1.00 0.00 C ATOM 358 O VAL A 26 -4.673 6.866 -2.650 1.00 0.00 O ATOM 359 CB VAL A 26 -1.868 8.266 -1.336 1.00 0.00 C ATOM 360 CG1 VAL A 26 -2.696 9.366 -0.667 1.00 0.00 C ATOM 361 CG2 VAL A 26 -1.709 7.059 -0.409 1.00 0.00 C ATOM 0 H VAL A 26 -1.189 9.293 -3.474 1.00 0.00 H new ATOM 0 HA VAL A 26 -2.196 6.816 -2.844 1.00 0.00 H new ATOM 0 HB VAL A 26 -0.875 8.668 -1.535 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -2.236 9.641 0.282 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -2.735 10.239 -1.318 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -3.708 9.002 -0.488 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -1.268 7.381 0.535 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -2.686 6.614 -0.220 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -1.059 6.321 -0.880 1.00 0.00 H new ATOM 371 N GLY A 27 -4.533 9.123 -2.685 1.00 0.00 N ATOM 372 CA GLY A 27 -5.972 9.323 -2.682 1.00 0.00 C ATOM 373 C GLY A 27 -6.646 8.473 -3.761 1.00 0.00 C ATOM 374 O GLY A 27 -7.793 8.057 -3.603 1.00 0.00 O ATOM 0 H GLY A 27 -3.983 9.982 -2.700 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -6.377 9.063 -1.704 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -6.197 10.376 -2.851 1.00 0.00 H new ATOM 378 N PHE A 28 -5.905 8.240 -4.834 1.00 0.00 N ATOM 379 CA PHE A 28 -6.416 7.447 -5.939 1.00 0.00 C ATOM 380 C PHE A 28 -6.005 5.980 -5.797 1.00 0.00 C ATOM 381 O PHE A 28 -6.645 5.095 -6.364 1.00 0.00 O ATOM 382 CB PHE A 28 -5.802 8.015 -7.220 1.00 0.00 C ATOM 383 CG PHE A 28 -5.725 7.011 -8.372 1.00 0.00 C ATOM 384 CD1 PHE A 28 -6.790 6.213 -8.650 1.00 0.00 C ATOM 385 CD2 PHE A 28 -4.592 6.917 -9.118 1.00 0.00 C ATOM 386 CE1 PHE A 28 -6.720 5.281 -9.719 1.00 0.00 C ATOM 387 CE2 PHE A 28 -4.521 5.986 -10.187 1.00 0.00 C ATOM 388 CZ PHE A 28 -5.586 5.187 -10.465 1.00 0.00 C ATOM 0 H PHE A 28 -4.954 8.587 -4.962 1.00 0.00 H new ATOM 0 HA PHE A 28 -7.505 7.491 -5.956 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -6.388 8.876 -7.541 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -4.798 8.377 -7.000 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -7.690 6.288 -8.057 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -3.746 7.551 -8.897 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -7.566 4.647 -9.940 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -3.621 5.912 -10.780 1.00 0.00 H new ATOM 0 HZ PHE A 28 -5.532 4.478 -11.278 1.00 0.00 H new ATOM 398 N ILE A 29 -4.940 5.768 -5.038 1.00 0.00 N ATOM 399 CA ILE A 29 -4.436 4.423 -4.815 1.00 0.00 C ATOM 400 C ILE A 29 -5.486 3.610 -4.056 1.00 0.00 C ATOM 401 O ILE A 29 -5.716 2.442 -4.367 1.00 0.00 O ATOM 402 CB ILE A 29 -3.074 4.470 -4.120 1.00 0.00 C ATOM 403 CG1 ILE A 29 -2.041 5.193 -4.987 1.00 0.00 C ATOM 404 CG2 ILE A 29 -2.610 3.067 -3.727 1.00 0.00 C ATOM 405 CD1 ILE A 29 -0.617 4.810 -4.579 1.00 0.00 C ATOM 0 H ILE A 29 -4.412 6.505 -4.570 1.00 0.00 H new ATOM 0 HA ILE A 29 -4.266 3.917 -5.765 1.00 0.00 H new ATOM 0 HB ILE A 29 -3.180 5.044 -3.199 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -2.202 4.943 -6.036 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -2.173 6.271 -4.893 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -1.639 3.129 -3.235 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -3.335 2.622 -3.045 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -2.525 2.448 -4.620 1.00 0.00 H new ATOM 0 HD11 ILE A 29 0.097 5.338 -5.211 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -0.451 5.084 -3.537 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -0.481 3.735 -4.698 1.00 0.00 H new ATOM 417 N ILE A 30 -6.094 4.258 -3.073 1.00 0.00 N ATOM 418 CA ILE A 30 -7.114 3.609 -2.267 1.00 0.00 C ATOM 419 C ILE A 30 -8.219 3.076 -3.182 1.00 0.00 C ATOM 420 O ILE A 30 -8.478 1.874 -3.212 1.00 0.00 O ATOM 421 CB ILE A 30 -7.621 4.558 -1.179 1.00 0.00 C ATOM 422 CG1 ILE A 30 -6.467 5.347 -0.558 1.00 0.00 C ATOM 423 CG2 ILE A 30 -8.431 3.801 -0.125 1.00 0.00 C ATOM 424 CD1 ILE A 30 -6.581 6.836 -0.888 1.00 0.00 C ATOM 0 H ILE A 30 -5.900 5.226 -2.817 1.00 0.00 H new ATOM 0 HA ILE A 30 -6.695 2.752 -1.740 1.00 0.00 H new ATOM 0 HB ILE A 30 -8.292 5.281 -1.642 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -6.468 5.209 0.523 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -5.517 4.961 -0.928 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -8.779 4.499 0.636 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -9.288 3.323 -0.599 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -7.803 3.041 0.340 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -5.748 7.374 -0.435 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -6.555 6.972 -1.969 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -7.521 7.225 -0.496 1.00 0.00 H new ATOM 436 N GLY A 31 -8.839 3.996 -3.906 1.00 0.00 N ATOM 437 CA GLY A 31 -9.910 3.634 -4.819 1.00 0.00 C ATOM 438 C GLY A 31 -11.278 3.824 -4.162 1.00 0.00 C ATOM 439 O GLY A 31 -11.367 4.290 -3.027 1.00 0.00 O ATOM 0 H GLY A 31 -8.620 4.992 -3.879 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -9.847 4.245 -5.719 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -9.793 2.596 -5.129 1.00 0.00 H new ATOM 443 N ARG A 32 -12.312 3.455 -4.905 1.00 0.00 N ATOM 444 CA ARG A 32 -13.672 3.580 -4.409 1.00 0.00 C ATOM 445 C ARG A 32 -13.934 2.547 -3.311 1.00 0.00 C ATOM 446 O ARG A 32 -14.142 1.369 -3.599 1.00 0.00 O ATOM 447 CB ARG A 32 -14.689 3.386 -5.536 1.00 0.00 C ATOM 448 CG ARG A 32 -16.017 4.068 -5.200 1.00 0.00 C ATOM 449 CD ARG A 32 -16.994 3.080 -4.560 1.00 0.00 C ATOM 450 NE ARG A 32 -17.442 2.089 -5.564 1.00 0.00 N ATOM 451 CZ ARG A 32 -17.968 0.895 -5.258 1.00 0.00 C ATOM 452 NH1 ARG A 32 -18.117 0.537 -3.976 1.00 0.00 N ATOM 453 NH2 ARG A 32 -18.347 0.060 -6.235 1.00 0.00 N ATOM 0 H ARG A 32 -12.235 3.070 -5.846 1.00 0.00 H new ATOM 0 HA ARG A 32 -13.785 4.585 -4.001 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -14.291 3.795 -6.464 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -14.855 2.322 -5.702 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -15.840 4.902 -4.521 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -16.456 4.484 -6.107 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -16.514 2.571 -3.724 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -17.854 3.615 -4.157 1.00 0.00 H new ATOM 0 HE ARG A 32 -17.344 2.330 -6.550 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -17.830 1.173 -3.232 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -18.517 -0.372 -3.744 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -18.235 0.333 -7.211 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -18.747 -0.849 -6.002 1.00 0.00 H new ATOM 467 N GLY A 33 -13.915 3.025 -2.076 1.00 0.00 N ATOM 468 CA GLY A 33 -14.148 2.158 -0.934 1.00 0.00 C ATOM 469 C GLY A 33 -12.886 1.369 -0.578 1.00 0.00 C ATOM 470 O GLY A 33 -12.941 0.423 0.206 1.00 0.00 O ATOM 0 H GLY A 33 -13.742 4.002 -1.841 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -14.462 2.755 -0.078 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -14.962 1.468 -1.157 1.00 0.00 H new ATOM 474 N GLY A 34 -11.778 1.789 -1.171 1.00 0.00 N ATOM 475 CA GLY A 34 -10.504 1.134 -0.926 1.00 0.00 C ATOM 476 C GLY A 34 -10.413 -0.190 -1.688 1.00 0.00 C ATOM 477 O GLY A 34 -9.891 -1.175 -1.168 1.00 0.00 O ATOM 0 H GLY A 34 -11.736 2.575 -1.820 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -9.689 1.790 -1.231 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -10.384 0.952 0.142 1.00 0.00 H new ATOM 481 N GLU A 35 -10.929 -0.171 -2.908 1.00 0.00 N ATOM 482 CA GLU A 35 -10.913 -1.357 -3.747 1.00 0.00 C ATOM 483 C GLU A 35 -9.659 -1.370 -4.623 1.00 0.00 C ATOM 484 O GLU A 35 -9.121 -2.434 -4.928 1.00 0.00 O ATOM 485 CB GLU A 35 -12.180 -1.442 -4.601 1.00 0.00 C ATOM 486 CG GLU A 35 -12.045 -0.596 -5.868 1.00 0.00 C ATOM 487 CD GLU A 35 -13.378 -0.508 -6.613 1.00 0.00 C ATOM 488 OE1 GLU A 35 -13.947 -1.587 -6.889 1.00 0.00 O ATOM 489 OE2 GLU A 35 -13.799 0.636 -6.890 1.00 0.00 O ATOM 0 H GLU A 35 -11.361 0.648 -3.336 1.00 0.00 H new ATOM 0 HA GLU A 35 -10.891 -2.235 -3.101 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -12.371 -2.480 -4.872 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -13.037 -1.100 -4.021 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -11.704 0.406 -5.606 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -11.288 -1.030 -6.521 1.00 0.00 H new ATOM 496 N GLN A 36 -9.230 -0.176 -5.005 1.00 0.00 N ATOM 497 CA GLN A 36 -8.049 -0.037 -5.840 1.00 0.00 C ATOM 498 C GLN A 36 -6.833 -0.658 -5.149 1.00 0.00 C ATOM 499 O GLN A 36 -5.957 -1.215 -5.808 1.00 0.00 O ATOM 500 CB GLN A 36 -7.792 1.431 -6.186 1.00 0.00 C ATOM 501 CG GLN A 36 -6.518 1.583 -7.019 1.00 0.00 C ATOM 502 CD GLN A 36 -6.825 1.480 -8.515 1.00 0.00 C ATOM 503 OE1 GLN A 36 -7.957 1.295 -8.931 1.00 0.00 O ATOM 504 NE2 GLN A 36 -5.757 1.611 -9.297 1.00 0.00 N ATOM 0 H GLN A 36 -9.679 0.704 -4.752 1.00 0.00 H new ATOM 0 HA GLN A 36 -8.224 -0.572 -6.774 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -8.642 1.832 -6.738 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -7.703 2.014 -5.269 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -6.052 2.545 -6.805 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -5.801 0.812 -6.737 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -4.837 1.764 -8.883 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -5.858 1.558 -10.311 1.00 0.00 H new ATOM 513 N ILE A 37 -6.820 -0.542 -3.829 1.00 0.00 N ATOM 514 CA ILE A 37 -5.726 -1.085 -3.041 1.00 0.00 C ATOM 515 C ILE A 37 -5.989 -2.567 -2.765 1.00 0.00 C ATOM 516 O ILE A 37 -5.066 -3.379 -2.789 1.00 0.00 O ATOM 517 CB ILE A 37 -5.512 -0.252 -1.776 1.00 0.00 C ATOM 518 CG1 ILE A 37 -4.193 -0.620 -1.093 1.00 0.00 C ATOM 519 CG2 ILE A 37 -6.705 -0.382 -0.826 1.00 0.00 C ATOM 520 CD1 ILE A 37 -3.000 -0.049 -1.863 1.00 0.00 C ATOM 0 H ILE A 37 -7.549 -0.080 -3.285 1.00 0.00 H new ATOM 0 HA ILE A 37 -4.790 -1.025 -3.596 1.00 0.00 H new ATOM 0 HB ILE A 37 -5.443 0.797 -2.065 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -4.189 -0.238 -0.072 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -4.103 -1.704 -1.028 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -6.528 0.220 0.065 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -7.608 -0.032 -1.326 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -6.830 -1.426 -0.540 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -2.075 -0.325 -1.357 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -2.994 -0.452 -2.876 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -3.081 1.037 -1.906 1.00 0.00 H new ATOM 532 N SER A 38 -7.252 -2.873 -2.510 1.00 0.00 N ATOM 533 CA SER A 38 -7.648 -4.243 -2.230 1.00 0.00 C ATOM 534 C SER A 38 -7.001 -5.192 -3.242 1.00 0.00 C ATOM 535 O SER A 38 -6.386 -6.186 -2.860 1.00 0.00 O ATOM 536 CB SER A 38 -9.170 -4.394 -2.259 1.00 0.00 C ATOM 537 OG SER A 38 -9.613 -5.494 -1.469 1.00 0.00 O ATOM 0 H SER A 38 -8.015 -2.196 -2.491 1.00 0.00 H new ATOM 0 HA SER A 38 -7.304 -4.500 -1.228 1.00 0.00 H new ATOM 0 HB2 SER A 38 -9.632 -3.477 -1.894 1.00 0.00 H new ATOM 0 HB3 SER A 38 -9.501 -4.531 -3.288 1.00 0.00 H new ATOM 0 HG SER A 38 -10.590 -5.555 -1.512 1.00 0.00 H new ATOM 543 N ARG A 39 -7.163 -4.851 -4.512 1.00 0.00 N ATOM 544 CA ARG A 39 -6.603 -5.660 -5.581 1.00 0.00 C ATOM 545 C ARG A 39 -5.085 -5.775 -5.420 1.00 0.00 C ATOM 546 O ARG A 39 -4.507 -6.826 -5.691 1.00 0.00 O ATOM 547 CB ARG A 39 -6.920 -5.058 -6.951 1.00 0.00 C ATOM 548 CG ARG A 39 -7.544 -6.102 -7.878 1.00 0.00 C ATOM 549 CD ARG A 39 -8.918 -5.645 -8.372 1.00 0.00 C ATOM 550 NE ARG A 39 -9.261 -6.343 -9.632 1.00 0.00 N ATOM 551 CZ ARG A 39 -10.367 -6.100 -10.348 1.00 0.00 C ATOM 552 NH1 ARG A 39 -11.245 -5.176 -9.933 1.00 0.00 N ATOM 553 NH2 ARG A 39 -10.597 -6.782 -11.478 1.00 0.00 N ATOM 0 H ARG A 39 -7.674 -4.025 -4.825 1.00 0.00 H new ATOM 0 HA ARG A 39 -7.054 -6.650 -5.519 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -7.603 -4.217 -6.833 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -6.007 -4.667 -7.400 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -6.887 -6.276 -8.730 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -7.640 -7.051 -7.350 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -9.674 -5.853 -7.614 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -8.916 -4.567 -8.533 1.00 0.00 H new ATOM 0 HE ARG A 39 -8.615 -7.053 -9.976 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -11.071 -4.658 -9.072 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -12.087 -4.991 -10.478 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -9.930 -7.486 -11.793 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -11.439 -6.597 -12.023 1.00 0.00 H new ATOM 567 N ILE A 40 -4.484 -4.679 -4.981 1.00 0.00 N ATOM 568 CA ILE A 40 -3.046 -4.643 -4.781 1.00 0.00 C ATOM 569 C ILE A 40 -2.684 -5.487 -3.557 1.00 0.00 C ATOM 570 O ILE A 40 -1.664 -6.175 -3.553 1.00 0.00 O ATOM 571 CB ILE A 40 -2.552 -3.197 -4.699 1.00 0.00 C ATOM 572 CG1 ILE A 40 -3.090 -2.366 -5.865 1.00 0.00 C ATOM 573 CG2 ILE A 40 -1.025 -3.143 -4.613 1.00 0.00 C ATOM 574 CD1 ILE A 40 -2.751 -0.885 -5.686 1.00 0.00 C ATOM 0 H ILE A 40 -4.967 -3.809 -4.758 1.00 0.00 H new ATOM 0 HA ILE A 40 -2.532 -5.083 -5.635 1.00 0.00 H new ATOM 0 HB ILE A 40 -2.942 -2.755 -3.782 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -2.666 -2.729 -6.801 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -4.171 -2.489 -5.936 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -0.700 -2.104 -4.556 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -0.692 -3.677 -3.723 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -0.594 -3.610 -5.499 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -3.145 -0.317 -6.529 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -3.197 -0.519 -4.761 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -1.669 -0.762 -5.640 1.00 0.00 H new ATOM 586 N GLN A 41 -3.539 -5.407 -2.549 1.00 0.00 N ATOM 587 CA GLN A 41 -3.323 -6.154 -1.322 1.00 0.00 C ATOM 588 C GLN A 41 -3.526 -7.651 -1.570 1.00 0.00 C ATOM 589 O GLN A 41 -2.853 -8.481 -0.961 1.00 0.00 O ATOM 590 CB GLN A 41 -4.241 -5.654 -0.205 1.00 0.00 C ATOM 591 CG GLN A 41 -3.670 -4.396 0.452 1.00 0.00 C ATOM 592 CD GLN A 41 -4.621 -3.857 1.522 1.00 0.00 C ATOM 593 OE1 GLN A 41 -4.479 -4.120 2.705 1.00 0.00 O ATOM 594 NE2 GLN A 41 -5.595 -3.089 1.043 1.00 0.00 N ATOM 0 H GLN A 41 -4.384 -4.836 -2.557 1.00 0.00 H new ATOM 0 HA GLN A 41 -2.294 -5.994 -0.999 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -5.230 -5.440 -0.611 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -4.366 -6.435 0.545 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -2.703 -4.623 0.901 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -3.498 -3.631 -0.306 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -5.656 -2.909 0.041 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -6.281 -2.680 1.678 1.00 0.00 H new ATOM 603 N GLN A 42 -4.456 -7.949 -2.465 1.00 0.00 N ATOM 604 CA GLN A 42 -4.756 -9.330 -2.801 1.00 0.00 C ATOM 605 C GLN A 42 -3.772 -9.847 -3.853 1.00 0.00 C ATOM 606 O GLN A 42 -3.452 -11.034 -3.879 1.00 0.00 O ATOM 607 CB GLN A 42 -6.201 -9.476 -3.282 1.00 0.00 C ATOM 608 CG GLN A 42 -7.176 -9.464 -2.103 1.00 0.00 C ATOM 609 CD GLN A 42 -7.781 -10.851 -1.878 1.00 0.00 C ATOM 610 OE1 GLN A 42 -7.108 -11.868 -1.940 1.00 0.00 O ATOM 611 NE2 GLN A 42 -9.084 -10.837 -1.614 1.00 0.00 N ATOM 0 H GLN A 42 -5.012 -7.257 -2.968 1.00 0.00 H new ATOM 0 HA GLN A 42 -4.645 -9.935 -1.901 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -6.444 -8.664 -3.967 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -6.310 -10.406 -3.839 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -6.658 -9.139 -1.201 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -7.971 -8.743 -2.291 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -9.587 -9.951 -1.577 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -9.580 -11.713 -1.449 1.00 0.00 H new ATOM 620 N GLU A 43 -3.320 -8.929 -4.695 1.00 0.00 N ATOM 621 CA GLU A 43 -2.379 -9.276 -5.746 1.00 0.00 C ATOM 622 C GLU A 43 -1.020 -9.637 -5.144 1.00 0.00 C ATOM 623 O GLU A 43 -0.433 -10.660 -5.495 1.00 0.00 O ATOM 624 CB GLU A 43 -2.245 -8.139 -6.760 1.00 0.00 C ATOM 625 CG GLU A 43 -3.231 -8.316 -7.917 1.00 0.00 C ATOM 626 CD GLU A 43 -2.684 -9.294 -8.959 1.00 0.00 C ATOM 627 OE1 GLU A 43 -2.216 -10.373 -8.534 1.00 0.00 O ATOM 628 OE2 GLU A 43 -2.745 -8.940 -10.156 1.00 0.00 O ATOM 0 H GLU A 43 -3.588 -7.945 -4.670 1.00 0.00 H new ATOM 0 HA GLU A 43 -2.763 -10.148 -6.276 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -2.426 -7.184 -6.267 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -1.226 -8.110 -7.147 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -4.184 -8.682 -7.535 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -3.425 -7.351 -8.385 1.00 0.00 H new ATOM 635 N SER A 44 -0.559 -8.778 -4.247 1.00 0.00 N ATOM 636 CA SER A 44 0.721 -8.993 -3.593 1.00 0.00 C ATOM 637 C SER A 44 0.514 -9.732 -2.270 1.00 0.00 C ATOM 638 O SER A 44 1.478 -10.049 -1.574 1.00 0.00 O ATOM 639 CB SER A 44 1.447 -7.668 -3.353 1.00 0.00 C ATOM 640 OG SER A 44 1.427 -7.290 -1.980 1.00 0.00 O ATOM 0 H SER A 44 -1.049 -7.931 -3.957 1.00 0.00 H new ATOM 0 HA SER A 44 1.342 -9.602 -4.249 1.00 0.00 H new ATOM 0 HB2 SER A 44 2.480 -7.754 -3.690 1.00 0.00 H new ATOM 0 HB3 SER A 44 0.981 -6.885 -3.951 1.00 0.00 H new ATOM 0 HG SER A 44 0.601 -6.798 -1.788 1.00 0.00 H new ATOM 646 N GLY A 45 -0.749 -9.986 -1.961 1.00 0.00 N ATOM 647 CA GLY A 45 -1.095 -10.682 -0.734 1.00 0.00 C ATOM 648 C GLY A 45 -0.396 -10.048 0.471 1.00 0.00 C ATOM 649 O GLY A 45 0.008 -10.749 1.398 1.00 0.00 O ATOM 0 H GLY A 45 -1.546 -9.722 -2.540 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -2.175 -10.655 -0.588 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -0.810 -11.731 -0.814 1.00 0.00 H new ATOM 653 N CYS A 46 -0.273 -8.730 0.418 1.00 0.00 N ATOM 654 CA CYS A 46 0.370 -7.995 1.493 1.00 0.00 C ATOM 655 C CYS A 46 -0.614 -6.946 2.015 1.00 0.00 C ATOM 656 O CYS A 46 -1.458 -6.455 1.266 1.00 0.00 O ATOM 657 CB CYS A 46 1.688 -7.364 1.038 1.00 0.00 C ATOM 658 SG CYS A 46 2.988 -7.654 2.293 1.00 0.00 S ATOM 0 H CYS A 46 -0.608 -8.152 -0.353 1.00 0.00 H new ATOM 0 HA CYS A 46 0.630 -8.680 2.300 1.00 0.00 H new ATOM 0 HB2 CYS A 46 1.993 -7.789 0.082 1.00 0.00 H new ATOM 0 HB3 CYS A 46 1.554 -6.294 0.883 1.00 0.00 H new ATOM 0 HG CYS A 46 2.474 -7.547 3.482 1.00 0.00 H new ATOM 664 N LYS A 47 -0.474 -6.633 3.295 1.00 0.00 N ATOM 665 CA LYS A 47 -1.340 -5.652 3.925 1.00 0.00 C ATOM 666 C LYS A 47 -0.765 -4.252 3.701 1.00 0.00 C ATOM 667 O LYS A 47 0.451 -4.071 3.693 1.00 0.00 O ATOM 668 CB LYS A 47 -1.559 -5.998 5.399 1.00 0.00 C ATOM 669 CG LYS A 47 -2.911 -5.476 5.890 1.00 0.00 C ATOM 670 CD LYS A 47 -2.905 -5.279 7.407 1.00 0.00 C ATOM 671 CE LYS A 47 -3.452 -6.516 8.123 1.00 0.00 C ATOM 672 NZ LYS A 47 -4.717 -6.194 8.820 1.00 0.00 N ATOM 0 H LYS A 47 0.227 -7.042 3.913 1.00 0.00 H new ATOM 0 HA LYS A 47 -2.329 -5.668 3.468 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -1.512 -7.079 5.533 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -0.759 -5.567 6.000 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -3.140 -4.531 5.398 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -3.698 -6.178 5.614 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -1.889 -5.077 7.747 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -3.507 -4.408 7.667 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -3.621 -7.316 7.402 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -2.718 -6.883 8.840 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -5.075 -7.044 9.301 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -4.546 -5.446 9.522 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -5.421 -5.866 8.128 1.00 0.00 H new ATOM 686 N ILE A 48 -1.667 -3.298 3.524 1.00 0.00 N ATOM 687 CA ILE A 48 -1.265 -1.920 3.301 1.00 0.00 C ATOM 688 C ILE A 48 -2.102 -0.998 4.190 1.00 0.00 C ATOM 689 O ILE A 48 -3.274 -0.755 3.909 1.00 0.00 O ATOM 690 CB ILE A 48 -1.341 -1.574 1.812 1.00 0.00 C ATOM 691 CG1 ILE A 48 -0.349 -2.412 1.003 1.00 0.00 C ATOM 692 CG2 ILE A 48 -1.141 -0.074 1.587 1.00 0.00 C ATOM 693 CD1 ILE A 48 -0.868 -2.657 -0.415 1.00 0.00 C ATOM 0 H ILE A 48 -2.675 -3.452 3.531 1.00 0.00 H new ATOM 0 HA ILE A 48 -0.223 -1.777 3.585 1.00 0.00 H new ATOM 0 HB ILE A 48 -2.340 -1.823 1.454 1.00 0.00 H new ATOM 0 HG12 ILE A 48 0.613 -1.901 0.959 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -0.181 -3.366 1.503 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -1.200 0.145 0.521 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -1.918 0.480 2.114 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -0.163 0.223 1.965 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -0.144 -3.255 -0.969 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -1.818 -3.189 -0.368 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -1.012 -1.702 -0.920 1.00 0.00 H new ATOM 705 N GLN A 49 -1.466 -0.509 5.245 1.00 0.00 N ATOM 706 CA GLN A 49 -2.138 0.380 6.177 1.00 0.00 C ATOM 707 C GLN A 49 -1.736 1.832 5.908 1.00 0.00 C ATOM 708 O GLN A 49 -0.666 2.271 6.326 1.00 0.00 O ATOM 709 CB GLN A 49 -1.836 -0.013 7.625 1.00 0.00 C ATOM 710 CG GLN A 49 -2.767 -1.134 8.094 1.00 0.00 C ATOM 711 CD GLN A 49 -3.644 -0.667 9.257 1.00 0.00 C ATOM 712 OE1 GLN A 49 -3.416 -0.993 10.410 1.00 0.00 O ATOM 713 NE2 GLN A 49 -4.658 0.113 8.891 1.00 0.00 N ATOM 0 H GLN A 49 -0.493 -0.712 5.475 1.00 0.00 H new ATOM 0 HA GLN A 49 -3.214 0.287 6.027 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -0.799 -0.338 7.709 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -1.951 0.856 8.273 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -3.397 -1.459 7.266 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -2.177 -1.997 8.403 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -4.792 0.348 7.907 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -5.301 0.476 9.594 1.00 0.00 H new ATOM 722 N ILE A 50 -2.616 2.537 5.212 1.00 0.00 N ATOM 723 CA ILE A 50 -2.367 3.930 4.883 1.00 0.00 C ATOM 724 C ILE A 50 -3.034 4.824 5.929 1.00 0.00 C ATOM 725 O ILE A 50 -4.123 4.516 6.410 1.00 0.00 O ATOM 726 CB ILE A 50 -2.806 4.228 3.448 1.00 0.00 C ATOM 727 CG1 ILE A 50 -2.387 3.102 2.501 1.00 0.00 C ATOM 728 CG2 ILE A 50 -2.284 5.590 2.987 1.00 0.00 C ATOM 729 CD1 ILE A 50 -2.774 3.428 1.057 1.00 0.00 C ATOM 0 H ILE A 50 -3.503 2.169 4.867 1.00 0.00 H new ATOM 0 HA ILE A 50 -1.299 4.144 4.916 1.00 0.00 H new ATOM 0 HB ILE A 50 -3.895 4.277 3.427 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -1.310 2.948 2.567 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -2.861 2.169 2.807 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -2.610 5.777 1.964 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -2.675 6.370 3.641 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -1.195 5.595 3.027 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -2.465 2.612 0.404 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -3.854 3.557 0.990 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -2.279 4.348 0.746 1.00 0.00 H new ATOM 741 N ALA A 51 -2.353 5.914 6.251 1.00 0.00 N ATOM 742 CA ALA A 51 -2.867 6.856 7.231 1.00 0.00 C ATOM 743 C ALA A 51 -4.136 7.512 6.685 1.00 0.00 C ATOM 744 O ALA A 51 -4.321 7.601 5.473 1.00 0.00 O ATOM 745 CB ALA A 51 -1.782 7.879 7.574 1.00 0.00 C ATOM 0 H ALA A 51 -1.449 6.166 5.851 1.00 0.00 H new ATOM 0 HA ALA A 51 -3.134 6.342 8.154 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -2.167 8.586 8.309 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -0.914 7.364 7.986 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -1.491 8.417 6.672 1.00 0.00 H new ATOM 751 N PRO A 52 -5.000 7.967 7.632 1.00 0.00 N ATOM 752 CA PRO A 52 -6.247 8.613 7.258 1.00 0.00 C ATOM 753 C PRO A 52 -5.998 10.035 6.753 1.00 0.00 C ATOM 754 O PRO A 52 -6.800 10.578 5.994 1.00 0.00 O ATOM 755 CB PRO A 52 -7.104 8.570 8.513 1.00 0.00 C ATOM 756 CG PRO A 52 -6.143 8.325 9.666 1.00 0.00 C ATOM 757 CD PRO A 52 -4.814 7.879 9.077 1.00 0.00 C ATOM 0 HA PRO A 52 -6.749 8.111 6.431 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -7.646 9.506 8.648 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -7.849 7.777 8.450 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -6.014 9.233 10.255 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -6.538 7.563 10.337 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -3.998 8.520 9.411 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -4.567 6.863 9.383 1.00 0.00 H new ATOM 765 N ASP A 53 -4.883 10.599 7.193 1.00 0.00 N ATOM 766 CA ASP A 53 -4.518 11.947 6.794 1.00 0.00 C ATOM 767 C ASP A 53 -3.025 12.164 7.051 1.00 0.00 C ATOM 768 O ASP A 53 -2.610 12.359 8.193 1.00 0.00 O ATOM 769 CB ASP A 53 -5.293 12.990 7.603 1.00 0.00 C ATOM 770 CG ASP A 53 -6.615 13.440 6.978 1.00 0.00 C ATOM 771 OD1 ASP A 53 -6.827 13.103 5.793 1.00 0.00 O ATOM 772 OD2 ASP A 53 -7.384 14.111 7.700 1.00 0.00 O ATOM 0 H ASP A 53 -4.220 10.146 7.822 1.00 0.00 H new ATOM 0 HA ASP A 53 -4.755 12.061 5.736 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -5.497 12.582 8.593 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -4.658 13.865 7.743 1.00 0.00 H new ATOM 777 N SER A 54 -2.259 12.124 5.971 1.00 0.00 N ATOM 778 CA SER A 54 -0.822 12.314 6.065 1.00 0.00 C ATOM 779 C SER A 54 -0.511 13.533 6.937 1.00 0.00 C ATOM 780 O SER A 54 0.503 13.560 7.633 1.00 0.00 O ATOM 781 CB SER A 54 -0.196 12.479 4.679 1.00 0.00 C ATOM 782 OG SER A 54 -0.835 13.505 3.924 1.00 0.00 O ATOM 0 H SER A 54 -2.607 11.963 5.026 1.00 0.00 H new ATOM 0 HA SER A 54 -0.389 11.426 6.526 1.00 0.00 H new ATOM 0 HB2 SER A 54 0.863 12.713 4.785 1.00 0.00 H new ATOM 0 HB3 SER A 54 -0.261 11.536 4.137 1.00 0.00 H new ATOM 0 HG SER A 54 -0.406 13.581 3.046 1.00 0.00 H new ATOM 788 N GLY A 55 -1.402 14.511 6.870 1.00 0.00 N ATOM 789 CA GLY A 55 -1.235 15.729 7.644 1.00 0.00 C ATOM 790 C GLY A 55 -0.874 16.909 6.739 1.00 0.00 C ATOM 791 O GLY A 55 -0.845 18.054 7.188 1.00 0.00 O ATOM 0 H GLY A 55 -2.242 14.485 6.292 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -2.155 15.949 8.185 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -0.453 15.586 8.390 1.00 0.00 H new ATOM 795 N GLY A 56 -0.607 16.588 5.482 1.00 0.00 N ATOM 796 CA GLY A 56 -0.249 17.608 4.510 1.00 0.00 C ATOM 797 C GLY A 56 1.100 17.294 3.859 1.00 0.00 C ATOM 798 O GLY A 56 1.446 17.874 2.831 1.00 0.00 O ATOM 0 H GLY A 56 -0.631 15.637 5.114 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -1.021 17.672 3.743 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -0.204 18.581 4.999 1.00 0.00 H new ATOM 802 N LEU A 57 1.824 16.378 4.484 1.00 0.00 N ATOM 803 CA LEU A 57 3.127 15.980 3.978 1.00 0.00 C ATOM 804 C LEU A 57 3.033 15.745 2.469 1.00 0.00 C ATOM 805 O LEU A 57 1.940 15.583 1.929 1.00 0.00 O ATOM 806 CB LEU A 57 3.659 14.775 4.757 1.00 0.00 C ATOM 807 CG LEU A 57 4.537 15.094 5.968 1.00 0.00 C ATOM 808 CD1 LEU A 57 3.831 14.716 7.272 1.00 0.00 C ATOM 809 CD2 LEU A 57 5.907 14.423 5.843 1.00 0.00 C ATOM 0 H LEU A 57 1.533 15.900 5.337 1.00 0.00 H new ATOM 0 HA LEU A 57 3.855 16.776 4.132 1.00 0.00 H new ATOM 0 HB2 LEU A 57 2.809 14.182 5.095 1.00 0.00 H new ATOM 0 HB3 LEU A 57 4.232 14.149 4.073 1.00 0.00 H new ATOM 0 HG LEU A 57 4.706 16.171 5.994 1.00 0.00 H new ATOM 0 HD11 LEU A 57 4.477 14.953 8.117 1.00 0.00 H new ATOM 0 HD12 LEU A 57 2.900 15.277 7.358 1.00 0.00 H new ATOM 0 HD13 LEU A 57 3.612 13.648 7.271 1.00 0.00 H new ATOM 0 HD21 LEU A 57 6.512 14.666 6.717 1.00 0.00 H new ATOM 0 HD22 LEU A 57 5.778 13.342 5.779 1.00 0.00 H new ATOM 0 HD23 LEU A 57 6.408 14.782 4.944 1.00 0.00 H new ATOM 821 N PRO A 58 4.225 15.734 1.815 1.00 0.00 N ATOM 822 CA PRO A 58 4.288 15.522 0.379 1.00 0.00 C ATOM 823 C PRO A 58 4.044 14.052 0.030 1.00 0.00 C ATOM 824 O PRO A 58 3.591 13.738 -1.069 1.00 0.00 O ATOM 825 CB PRO A 58 5.669 16.007 -0.031 1.00 0.00 C ATOM 826 CG PRO A 58 6.495 16.039 1.245 1.00 0.00 C ATOM 827 CD PRO A 58 5.540 15.922 2.422 1.00 0.00 C ATOM 0 HA PRO A 58 3.513 16.066 -0.160 1.00 0.00 H new ATOM 0 HB2 PRO A 58 6.115 15.339 -0.768 1.00 0.00 H new ATOM 0 HB3 PRO A 58 5.616 16.996 -0.487 1.00 0.00 H new ATOM 0 HG2 PRO A 58 7.215 15.220 1.254 1.00 0.00 H new ATOM 0 HG3 PRO A 58 7.066 16.966 1.307 1.00 0.00 H new ATOM 0 HD2 PRO A 58 5.804 15.081 3.064 1.00 0.00 H new ATOM 0 HD3 PRO A 58 5.565 16.817 3.043 1.00 0.00 H new ATOM 835 N GLU A 59 4.355 13.191 0.988 1.00 0.00 N ATOM 836 CA GLU A 59 4.175 11.762 0.796 1.00 0.00 C ATOM 837 C GLU A 59 3.436 11.155 1.991 1.00 0.00 C ATOM 838 O GLU A 59 3.738 11.475 3.140 1.00 0.00 O ATOM 839 CB GLU A 59 5.518 11.065 0.570 1.00 0.00 C ATOM 840 CG GLU A 59 6.119 11.458 -0.781 1.00 0.00 C ATOM 841 CD GLU A 59 5.706 10.469 -1.873 1.00 0.00 C ATOM 842 OE1 GLU A 59 5.931 9.258 -1.657 1.00 0.00 O ATOM 843 OE2 GLU A 59 5.174 10.946 -2.899 1.00 0.00 O ATOM 0 H GLU A 59 4.730 13.455 1.899 1.00 0.00 H new ATOM 0 HA GLU A 59 3.569 11.609 -0.097 1.00 0.00 H new ATOM 0 HB2 GLU A 59 6.209 11.330 1.370 1.00 0.00 H new ATOM 0 HB3 GLU A 59 5.382 9.984 0.611 1.00 0.00 H new ATOM 0 HG2 GLU A 59 5.791 12.462 -1.051 1.00 0.00 H new ATOM 0 HG3 GLU A 59 7.206 11.488 -0.705 1.00 0.00 H new ATOM 850 N ARG A 60 2.483 10.289 1.679 1.00 0.00 N ATOM 851 CA ARG A 60 1.699 9.634 2.713 1.00 0.00 C ATOM 852 C ARG A 60 2.326 8.289 3.082 1.00 0.00 C ATOM 853 O ARG A 60 2.386 7.380 2.256 1.00 0.00 O ATOM 854 CB ARG A 60 0.258 9.408 2.252 1.00 0.00 C ATOM 855 CG ARG A 60 -0.473 8.445 3.189 1.00 0.00 C ATOM 856 CD ARG A 60 -1.781 9.057 3.693 1.00 0.00 C ATOM 857 NE ARG A 60 -2.869 8.794 2.726 1.00 0.00 N ATOM 858 CZ ARG A 60 -4.154 9.112 2.935 1.00 0.00 C ATOM 859 NH1 ARG A 60 -4.519 9.707 4.079 1.00 0.00 N ATOM 860 NH2 ARG A 60 -5.074 8.836 2.001 1.00 0.00 N ATOM 0 H ARG A 60 2.236 10.026 0.725 1.00 0.00 H new ATOM 0 HA ARG A 60 1.691 10.287 3.586 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -0.271 10.361 2.219 1.00 0.00 H new ATOM 0 HB3 ARG A 60 0.255 9.007 1.238 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -0.682 7.512 2.666 1.00 0.00 H new ATOM 0 HG3 ARG A 60 0.168 8.199 4.036 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -2.038 8.636 4.665 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -1.659 10.131 3.833 1.00 0.00 H new ATOM 0 HE ARG A 60 -2.626 8.342 1.844 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -3.819 9.918 4.790 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -5.497 9.949 4.238 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -4.797 8.383 1.130 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -6.052 9.078 2.161 1.00 0.00 H new ATOM 874 N SER A 61 2.778 8.203 4.325 1.00 0.00 N ATOM 875 CA SER A 61 3.399 6.984 4.814 1.00 0.00 C ATOM 876 C SER A 61 2.392 5.832 4.773 1.00 0.00 C ATOM 877 O SER A 61 1.253 5.982 5.211 1.00 0.00 O ATOM 878 CB SER A 61 3.934 7.170 6.235 1.00 0.00 C ATOM 879 OG SER A 61 4.529 5.978 6.741 1.00 0.00 O ATOM 0 H SER A 61 2.726 8.959 5.008 1.00 0.00 H new ATOM 0 HA SER A 61 4.242 6.746 4.166 1.00 0.00 H new ATOM 0 HB2 SER A 61 4.670 7.974 6.243 1.00 0.00 H new ATOM 0 HB3 SER A 61 3.120 7.476 6.892 1.00 0.00 H new ATOM 0 HG SER A 61 5.420 6.182 7.094 1.00 0.00 H new ATOM 885 N CYS A 62 2.850 4.708 4.241 1.00 0.00 N ATOM 886 CA CYS A 62 2.004 3.531 4.137 1.00 0.00 C ATOM 887 C CYS A 62 2.750 2.347 4.754 1.00 0.00 C ATOM 888 O CYS A 62 3.772 1.909 4.226 1.00 0.00 O ATOM 889 CB CYS A 62 1.594 3.256 2.689 1.00 0.00 C ATOM 890 SG CYS A 62 0.746 4.719 1.989 1.00 0.00 S ATOM 0 H CYS A 62 3.795 4.588 3.878 1.00 0.00 H new ATOM 0 HA CYS A 62 1.075 3.698 4.683 1.00 0.00 H new ATOM 0 HB2 CYS A 62 2.474 3.016 2.093 1.00 0.00 H new ATOM 0 HB3 CYS A 62 0.935 2.389 2.648 1.00 0.00 H new ATOM 0 HG CYS A 62 1.475 5.777 2.183 1.00 0.00 H new ATOM 896 N MET A 63 2.211 1.861 5.862 1.00 0.00 N ATOM 897 CA MET A 63 2.813 0.735 6.556 1.00 0.00 C ATOM 898 C MET A 63 2.364 -0.592 5.942 1.00 0.00 C ATOM 899 O MET A 63 1.175 -0.907 5.936 1.00 0.00 O ATOM 900 CB MET A 63 2.416 0.775 8.033 1.00 0.00 C ATOM 901 CG MET A 63 2.842 2.093 8.681 1.00 0.00 C ATOM 902 SD MET A 63 4.590 2.357 8.434 1.00 0.00 S ATOM 903 CE MET A 63 5.250 1.115 9.533 1.00 0.00 C ATOM 0 H MET A 63 1.364 2.226 6.297 1.00 0.00 H new ATOM 0 HA MET A 63 3.896 0.810 6.459 1.00 0.00 H new ATOM 0 HB2 MET A 63 1.337 0.652 8.126 1.00 0.00 H new ATOM 0 HB3 MET A 63 2.879 -0.059 8.560 1.00 0.00 H new ATOM 0 HG2 MET A 63 2.276 2.919 8.250 1.00 0.00 H new ATOM 0 HG3 MET A 63 2.616 2.074 9.747 1.00 0.00 H new ATOM 0 HE1 MET A 63 5.895 1.589 10.273 1.00 0.00 H new ATOM 0 HE2 MET A 63 4.431 0.605 10.040 1.00 0.00 H new ATOM 0 HE3 MET A 63 5.828 0.391 8.959 1.00 0.00 H new ATOM 913 N LEU A 64 3.339 -1.335 5.439 1.00 0.00 N ATOM 914 CA LEU A 64 3.059 -2.621 4.824 1.00 0.00 C ATOM 915 C LEU A 64 3.344 -3.736 5.831 1.00 0.00 C ATOM 916 O LEU A 64 4.199 -3.586 6.703 1.00 0.00 O ATOM 917 CB LEU A 64 3.832 -2.766 3.511 1.00 0.00 C ATOM 918 CG LEU A 64 3.465 -1.775 2.404 1.00 0.00 C ATOM 919 CD1 LEU A 64 4.652 -0.872 2.062 1.00 0.00 C ATOM 920 CD2 LEU A 64 2.926 -2.504 1.172 1.00 0.00 C ATOM 0 H LEU A 64 4.324 -1.071 5.445 1.00 0.00 H new ATOM 0 HA LEU A 64 2.005 -2.694 4.557 1.00 0.00 H new ATOM 0 HB2 LEU A 64 4.896 -2.663 3.725 1.00 0.00 H new ATOM 0 HB3 LEU A 64 3.679 -3.777 3.132 1.00 0.00 H new ATOM 0 HG LEU A 64 2.666 -1.132 2.772 1.00 0.00 H new ATOM 0 HD11 LEU A 64 4.365 -0.177 1.273 1.00 0.00 H new ATOM 0 HD12 LEU A 64 4.950 -0.312 2.948 1.00 0.00 H new ATOM 0 HD13 LEU A 64 5.488 -1.483 1.721 1.00 0.00 H new ATOM 0 HD21 LEU A 64 2.673 -1.777 0.401 1.00 0.00 H new ATOM 0 HD22 LEU A 64 3.686 -3.187 0.792 1.00 0.00 H new ATOM 0 HD23 LEU A 64 2.035 -3.069 1.445 1.00 0.00 H new ATOM 932 N THR A 65 2.613 -4.830 5.677 1.00 0.00 N ATOM 933 CA THR A 65 2.776 -5.970 6.563 1.00 0.00 C ATOM 934 C THR A 65 2.583 -7.277 5.791 1.00 0.00 C ATOM 935 O THR A 65 1.616 -7.425 5.045 1.00 0.00 O ATOM 936 CB THR A 65 1.802 -5.805 7.731 1.00 0.00 C ATOM 937 OG1 THR A 65 2.028 -4.474 8.186 1.00 0.00 O ATOM 938 CG2 THR A 65 2.174 -6.678 8.932 1.00 0.00 C ATOM 0 H THR A 65 1.906 -4.951 4.952 1.00 0.00 H new ATOM 0 HA THR A 65 3.787 -6.014 6.968 1.00 0.00 H new ATOM 0 HB THR A 65 0.794 -6.054 7.400 1.00 0.00 H new ATOM 0 HG1 THR A 65 1.434 -3.859 7.707 1.00 0.00 H new ATOM 0 HG21 THR A 65 1.451 -6.523 9.733 1.00 0.00 H new ATOM 0 HG22 THR A 65 2.167 -7.727 8.635 1.00 0.00 H new ATOM 0 HG23 THR A 65 3.169 -6.407 9.284 1.00 0.00 H new ATOM 946 N GLY A 66 3.519 -8.192 5.996 1.00 0.00 N ATOM 947 CA GLY A 66 3.464 -9.482 5.329 1.00 0.00 C ATOM 948 C GLY A 66 4.854 -9.915 4.858 1.00 0.00 C ATOM 949 O GLY A 66 5.857 -9.307 5.230 1.00 0.00 O ATOM 0 H GLY A 66 4.320 -8.066 6.615 1.00 0.00 H new ATOM 0 HA2 GLY A 66 3.057 -10.230 6.009 1.00 0.00 H new ATOM 0 HA3 GLY A 66 2.788 -9.426 4.476 1.00 0.00 H new ATOM 953 N THR A 67 4.869 -10.963 4.048 1.00 0.00 N ATOM 954 CA THR A 67 6.119 -11.485 3.523 1.00 0.00 C ATOM 955 C THR A 67 6.917 -10.372 2.841 1.00 0.00 C ATOM 956 O THR A 67 6.367 -9.325 2.505 1.00 0.00 O ATOM 957 CB THR A 67 5.790 -12.655 2.593 1.00 0.00 C ATOM 958 OG1 THR A 67 4.688 -12.185 1.822 1.00 0.00 O ATOM 959 CG2 THR A 67 5.230 -13.863 3.347 1.00 0.00 C ATOM 0 H THR A 67 4.035 -11.465 3.742 1.00 0.00 H new ATOM 0 HA THR A 67 6.759 -11.857 4.323 1.00 0.00 H new ATOM 0 HB THR A 67 6.688 -12.951 2.050 1.00 0.00 H new ATOM 0 HG1 THR A 67 4.852 -12.365 0.873 1.00 0.00 H new ATOM 0 HG21 THR A 67 5.014 -14.664 2.641 1.00 0.00 H new ATOM 0 HG22 THR A 67 5.963 -14.209 4.075 1.00 0.00 H new ATOM 0 HG23 THR A 67 4.314 -13.577 3.863 1.00 0.00 H new ATOM 967 N PRO A 68 8.236 -10.645 2.651 1.00 0.00 N ATOM 968 CA PRO A 68 9.116 -9.679 2.015 1.00 0.00 C ATOM 969 C PRO A 68 8.873 -9.627 0.505 1.00 0.00 C ATOM 970 O PRO A 68 8.860 -8.551 -0.089 1.00 0.00 O ATOM 971 CB PRO A 68 10.522 -10.129 2.376 1.00 0.00 C ATOM 972 CG PRO A 68 10.396 -11.582 2.806 1.00 0.00 C ATOM 973 CD PRO A 68 8.923 -11.874 3.035 1.00 0.00 C ATOM 0 HA PRO A 68 8.939 -8.660 2.358 1.00 0.00 H new ATOM 0 HB2 PRO A 68 11.195 -10.031 1.524 1.00 0.00 H new ATOM 0 HB3 PRO A 68 10.934 -9.518 3.179 1.00 0.00 H new ATOM 0 HG2 PRO A 68 10.802 -12.243 2.040 1.00 0.00 H new ATOM 0 HG3 PRO A 68 10.967 -11.761 3.717 1.00 0.00 H new ATOM 0 HD2 PRO A 68 8.589 -12.719 2.433 1.00 0.00 H new ATOM 0 HD3 PRO A 68 8.727 -12.128 4.077 1.00 0.00 H new ATOM 981 N GLU A 69 8.687 -10.805 -0.073 1.00 0.00 N ATOM 982 CA GLU A 69 8.446 -10.908 -1.502 1.00 0.00 C ATOM 983 C GLU A 69 7.091 -10.292 -1.857 1.00 0.00 C ATOM 984 O GLU A 69 6.833 -9.979 -3.018 1.00 0.00 O ATOM 985 CB GLU A 69 8.526 -12.364 -1.968 1.00 0.00 C ATOM 986 CG GLU A 69 9.819 -12.621 -2.743 1.00 0.00 C ATOM 987 CD GLU A 69 9.564 -13.525 -3.950 1.00 0.00 C ATOM 988 OE1 GLU A 69 8.623 -14.343 -3.858 1.00 0.00 O ATOM 989 OE2 GLU A 69 10.316 -13.379 -4.938 1.00 0.00 O ATOM 0 H GLU A 69 8.698 -11.696 0.423 1.00 0.00 H new ATOM 0 HA GLU A 69 9.224 -10.351 -2.024 1.00 0.00 H new ATOM 0 HB2 GLU A 69 8.476 -13.029 -1.106 1.00 0.00 H new ATOM 0 HB3 GLU A 69 7.668 -12.595 -2.599 1.00 0.00 H new ATOM 0 HG2 GLU A 69 10.242 -11.673 -3.077 1.00 0.00 H new ATOM 0 HG3 GLU A 69 10.555 -13.084 -2.086 1.00 0.00 H new ATOM 996 N SER A 70 6.261 -10.137 -0.836 1.00 0.00 N ATOM 997 CA SER A 70 4.940 -9.564 -1.026 1.00 0.00 C ATOM 998 C SER A 70 5.008 -8.040 -0.909 1.00 0.00 C ATOM 999 O SER A 70 4.373 -7.325 -1.682 1.00 0.00 O ATOM 1000 CB SER A 70 3.943 -10.130 -0.012 1.00 0.00 C ATOM 1001 OG SER A 70 3.487 -11.429 -0.380 1.00 0.00 O ATOM 0 H SER A 70 6.478 -10.398 0.126 1.00 0.00 H new ATOM 0 HA SER A 70 4.593 -9.830 -2.024 1.00 0.00 H new ATOM 0 HB2 SER A 70 4.412 -10.175 0.971 1.00 0.00 H new ATOM 0 HB3 SER A 70 3.090 -9.457 0.072 1.00 0.00 H new ATOM 0 HG SER A 70 2.660 -11.350 -0.899 1.00 0.00 H new ATOM 1007 N VAL A 71 5.785 -7.588 0.065 1.00 0.00 N ATOM 1008 CA VAL A 71 5.945 -6.162 0.293 1.00 0.00 C ATOM 1009 C VAL A 71 6.452 -5.498 -0.989 1.00 0.00 C ATOM 1010 O VAL A 71 5.931 -4.465 -1.405 1.00 0.00 O ATOM 1011 CB VAL A 71 6.864 -5.924 1.493 1.00 0.00 C ATOM 1012 CG1 VAL A 71 7.356 -4.475 1.528 1.00 0.00 C ATOM 1013 CG2 VAL A 71 6.164 -6.297 2.802 1.00 0.00 C ATOM 0 H VAL A 71 6.310 -8.184 0.705 1.00 0.00 H new ATOM 0 HA VAL A 71 4.986 -5.705 0.538 1.00 0.00 H new ATOM 0 HB VAL A 71 7.734 -6.571 1.382 1.00 0.00 H new ATOM 0 HG11 VAL A 71 8.007 -4.333 2.390 1.00 0.00 H new ATOM 0 HG12 VAL A 71 7.910 -4.257 0.615 1.00 0.00 H new ATOM 0 HG13 VAL A 71 6.502 -3.802 1.604 1.00 0.00 H new ATOM 0 HG21 VAL A 71 6.839 -6.118 3.639 1.00 0.00 H new ATOM 0 HG22 VAL A 71 5.268 -5.688 2.922 1.00 0.00 H new ATOM 0 HG23 VAL A 71 5.886 -7.351 2.778 1.00 0.00 H new ATOM 1023 N GLN A 72 7.463 -6.119 -1.579 1.00 0.00 N ATOM 1024 CA GLN A 72 8.047 -5.602 -2.805 1.00 0.00 C ATOM 1025 C GLN A 72 7.034 -5.679 -3.949 1.00 0.00 C ATOM 1026 O GLN A 72 6.830 -4.704 -4.670 1.00 0.00 O ATOM 1027 CB GLN A 72 9.333 -6.351 -3.159 1.00 0.00 C ATOM 1028 CG GLN A 72 10.500 -5.877 -2.292 1.00 0.00 C ATOM 1029 CD GLN A 72 10.880 -6.936 -1.255 1.00 0.00 C ATOM 1030 OE1 GLN A 72 11.489 -7.949 -1.559 1.00 0.00 O ATOM 1031 NE2 GLN A 72 10.486 -6.649 -0.018 1.00 0.00 N ATOM 0 H GLN A 72 7.893 -6.976 -1.230 1.00 0.00 H new ATOM 0 HA GLN A 72 8.308 -4.556 -2.647 1.00 0.00 H new ATOM 0 HB2 GLN A 72 9.184 -7.422 -3.021 1.00 0.00 H new ATOM 0 HB3 GLN A 72 9.571 -6.196 -4.211 1.00 0.00 H new ATOM 0 HG2 GLN A 72 11.361 -5.657 -2.924 1.00 0.00 H new ATOM 0 HG3 GLN A 72 10.229 -4.950 -1.787 1.00 0.00 H new ATOM 0 HE21 GLN A 72 9.980 -5.783 0.168 1.00 0.00 H new ATOM 0 HE22 GLN A 72 10.690 -7.295 0.745 1.00 0.00 H new ATOM 1040 N SER A 73 6.426 -6.850 -4.080 1.00 0.00 N ATOM 1041 CA SER A 73 5.439 -7.067 -5.124 1.00 0.00 C ATOM 1042 C SER A 73 4.351 -5.995 -5.047 1.00 0.00 C ATOM 1043 O SER A 73 3.997 -5.391 -6.059 1.00 0.00 O ATOM 1044 CB SER A 73 4.820 -8.462 -5.014 1.00 0.00 C ATOM 1045 OG SER A 73 5.717 -9.481 -5.447 1.00 0.00 O ATOM 0 H SER A 73 6.598 -7.657 -3.481 1.00 0.00 H new ATOM 0 HA SER A 73 5.940 -6.997 -6.089 1.00 0.00 H new ATOM 0 HB2 SER A 73 4.531 -8.649 -3.980 1.00 0.00 H new ATOM 0 HB3 SER A 73 3.910 -8.503 -5.612 1.00 0.00 H new ATOM 0 HG SER A 73 6.168 -9.872 -4.670 1.00 0.00 H new ATOM 1051 N ALA A 74 3.850 -5.791 -3.838 1.00 0.00 N ATOM 1052 CA ALA A 74 2.808 -4.802 -3.616 1.00 0.00 C ATOM 1053 C ALA A 74 3.335 -3.419 -4.003 1.00 0.00 C ATOM 1054 O ALA A 74 2.640 -2.649 -4.664 1.00 0.00 O ATOM 1055 CB ALA A 74 2.347 -4.865 -2.158 1.00 0.00 C ATOM 0 H ALA A 74 4.146 -6.294 -3.001 1.00 0.00 H new ATOM 0 HA ALA A 74 1.940 -5.011 -4.241 1.00 0.00 H new ATOM 0 HB1 ALA A 74 1.566 -4.124 -1.991 1.00 0.00 H new ATOM 0 HB2 ALA A 74 1.956 -5.859 -1.943 1.00 0.00 H new ATOM 0 HB3 ALA A 74 3.191 -4.657 -1.500 1.00 0.00 H new ATOM 1061 N LYS A 75 4.557 -3.144 -3.573 1.00 0.00 N ATOM 1062 CA LYS A 75 5.185 -1.867 -3.866 1.00 0.00 C ATOM 1063 C LYS A 75 5.077 -1.583 -5.365 1.00 0.00 C ATOM 1064 O LYS A 75 4.603 -0.521 -5.767 1.00 0.00 O ATOM 1065 CB LYS A 75 6.620 -1.841 -3.336 1.00 0.00 C ATOM 1066 CG LYS A 75 6.658 -1.385 -1.876 1.00 0.00 C ATOM 1067 CD LYS A 75 8.099 -1.260 -1.378 1.00 0.00 C ATOM 1068 CE LYS A 75 8.720 -2.638 -1.143 1.00 0.00 C ATOM 1069 NZ LYS A 75 9.590 -2.618 0.054 1.00 0.00 N ATOM 0 H LYS A 75 5.130 -3.784 -3.023 1.00 0.00 H new ATOM 0 HA LYS A 75 4.665 -1.059 -3.350 1.00 0.00 H new ATOM 0 HB2 LYS A 75 7.061 -2.834 -3.422 1.00 0.00 H new ATOM 0 HB3 LYS A 75 7.225 -1.170 -3.946 1.00 0.00 H new ATOM 0 HG2 LYS A 75 6.151 -0.425 -1.778 1.00 0.00 H new ATOM 0 HG3 LYS A 75 6.115 -2.097 -1.255 1.00 0.00 H new ATOM 0 HD2 LYS A 75 8.693 -0.709 -2.107 1.00 0.00 H new ATOM 0 HD3 LYS A 75 8.119 -0.686 -0.452 1.00 0.00 H new ATOM 0 HE2 LYS A 75 7.933 -3.381 -1.015 1.00 0.00 H new ATOM 0 HE3 LYS A 75 9.300 -2.936 -2.016 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 9.593 -3.559 0.497 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 10.559 -2.364 -0.225 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 9.230 -1.917 0.733 1.00 0.00 H new ATOM 1083 N ARG A 76 5.526 -2.550 -6.152 1.00 0.00 N ATOM 1084 CA ARG A 76 5.486 -2.417 -7.598 1.00 0.00 C ATOM 1085 C ARG A 76 4.113 -1.913 -8.047 1.00 0.00 C ATOM 1086 O ARG A 76 4.020 -0.970 -8.831 1.00 0.00 O ATOM 1087 CB ARG A 76 5.779 -3.753 -8.283 1.00 0.00 C ATOM 1088 CG ARG A 76 7.275 -4.074 -8.241 1.00 0.00 C ATOM 1089 CD ARG A 76 7.891 -3.998 -9.640 1.00 0.00 C ATOM 1090 NE ARG A 76 8.342 -5.341 -10.067 1.00 0.00 N ATOM 1091 CZ ARG A 76 8.803 -5.624 -11.293 1.00 0.00 C ATOM 1092 NH1 ARG A 76 8.878 -4.659 -12.220 1.00 0.00 N ATOM 1093 NH2 ARG A 76 9.191 -6.872 -11.592 1.00 0.00 N ATOM 0 H ARG A 76 5.919 -3.429 -5.815 1.00 0.00 H new ATOM 0 HA ARG A 76 6.253 -1.698 -7.885 1.00 0.00 H new ATOM 0 HB2 ARG A 76 5.219 -4.548 -7.792 1.00 0.00 H new ATOM 0 HB3 ARG A 76 5.440 -3.717 -9.318 1.00 0.00 H new ATOM 0 HG2 ARG A 76 7.782 -3.374 -7.578 1.00 0.00 H new ATOM 0 HG3 ARG A 76 7.425 -5.071 -7.827 1.00 0.00 H new ATOM 0 HD2 ARG A 76 7.159 -3.609 -10.348 1.00 0.00 H new ATOM 0 HD3 ARG A 76 8.733 -3.306 -9.639 1.00 0.00 H new ATOM 0 HE ARG A 76 8.299 -6.099 -9.386 1.00 0.00 H new ATOM 0 HH11 ARG A 76 8.584 -3.709 -11.992 1.00 0.00 H new ATOM 0 HH12 ARG A 76 9.229 -4.874 -13.153 1.00 0.00 H new ATOM 0 HH21 ARG A 76 9.135 -7.606 -10.886 1.00 0.00 H new ATOM 0 HH22 ARG A 76 9.542 -7.087 -12.525 1.00 0.00 H new ATOM 1107 N LEU A 77 3.081 -2.564 -7.531 1.00 0.00 N ATOM 1108 CA LEU A 77 1.717 -2.194 -7.869 1.00 0.00 C ATOM 1109 C LEU A 77 1.479 -0.732 -7.483 1.00 0.00 C ATOM 1110 O LEU A 77 0.997 0.057 -8.294 1.00 0.00 O ATOM 1111 CB LEU A 77 0.724 -3.167 -7.232 1.00 0.00 C ATOM 1112 CG LEU A 77 0.353 -4.392 -8.070 1.00 0.00 C ATOM 1113 CD1 LEU A 77 0.281 -5.650 -7.202 1.00 0.00 C ATOM 1114 CD2 LEU A 77 -0.946 -4.154 -8.844 1.00 0.00 C ATOM 0 H LEU A 77 3.162 -3.346 -6.881 1.00 0.00 H new ATOM 0 HA LEU A 77 1.557 -2.271 -8.945 1.00 0.00 H new ATOM 0 HB2 LEU A 77 1.140 -3.512 -6.285 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -0.190 -2.621 -6.998 1.00 0.00 H new ATOM 0 HG LEU A 77 1.141 -4.554 -8.805 1.00 0.00 H new ATOM 0 HD11 LEU A 77 0.015 -6.506 -7.823 1.00 0.00 H new ATOM 0 HD12 LEU A 77 1.250 -5.827 -6.736 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -0.474 -5.515 -6.428 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -1.187 -5.040 -9.431 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -1.756 -3.952 -8.143 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -0.822 -3.300 -9.510 1.00 0.00 H new ATOM 1126 N LEU A 78 1.829 -0.416 -6.244 1.00 0.00 N ATOM 1127 CA LEU A 78 1.660 0.936 -5.741 1.00 0.00 C ATOM 1128 C LEU A 78 2.362 1.917 -6.681 1.00 0.00 C ATOM 1129 O LEU A 78 1.708 2.695 -7.375 1.00 0.00 O ATOM 1130 CB LEU A 78 2.132 1.030 -4.289 1.00 0.00 C ATOM 1131 CG LEU A 78 1.290 0.275 -3.259 1.00 0.00 C ATOM 1132 CD1 LEU A 78 1.728 0.619 -1.834 1.00 0.00 C ATOM 1133 CD2 LEU A 78 -0.203 0.532 -3.477 1.00 0.00 C ATOM 0 H LEU A 78 2.229 -1.073 -5.574 1.00 0.00 H new ATOM 0 HA LEU A 78 0.605 1.208 -5.727 1.00 0.00 H new ATOM 0 HB2 LEU A 78 3.155 0.658 -4.236 1.00 0.00 H new ATOM 0 HB3 LEU A 78 2.161 2.082 -4.005 1.00 0.00 H new ATOM 0 HG LEU A 78 1.457 -0.793 -3.398 1.00 0.00 H new ATOM 0 HD11 LEU A 78 1.113 0.069 -1.122 1.00 0.00 H new ATOM 0 HD12 LEU A 78 2.774 0.344 -1.699 1.00 0.00 H new ATOM 0 HD13 LEU A 78 1.609 1.689 -1.665 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -0.779 -0.016 -2.732 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -0.407 1.598 -3.381 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -0.488 0.197 -4.474 1.00 0.00 H new ATOM 1145 N ASP A 79 3.685 1.849 -6.675 1.00 0.00 N ATOM 1146 CA ASP A 79 4.484 2.722 -7.519 1.00 0.00 C ATOM 1147 C ASP A 79 3.816 2.849 -8.889 1.00 0.00 C ATOM 1148 O ASP A 79 3.605 3.957 -9.380 1.00 0.00 O ATOM 1149 CB ASP A 79 5.888 2.152 -7.728 1.00 0.00 C ATOM 1150 CG ASP A 79 6.986 3.197 -7.932 1.00 0.00 C ATOM 1151 OD1 ASP A 79 6.674 4.393 -7.744 1.00 0.00 O ATOM 1152 OD2 ASP A 79 8.113 2.777 -8.273 1.00 0.00 O ATOM 0 H ASP A 79 4.224 1.203 -6.099 1.00 0.00 H new ATOM 0 HA ASP A 79 4.559 3.692 -7.027 1.00 0.00 H new ATOM 0 HB2 ASP A 79 6.147 1.539 -6.865 1.00 0.00 H new ATOM 0 HB3 ASP A 79 5.870 1.491 -8.595 1.00 0.00 H new ATOM 1157 N GLN A 80 3.503 1.699 -9.469 1.00 0.00 N ATOM 1158 CA GLN A 80 2.864 1.668 -10.773 1.00 0.00 C ATOM 1159 C GLN A 80 1.792 2.756 -10.865 1.00 0.00 C ATOM 1160 O GLN A 80 1.886 3.657 -11.697 1.00 0.00 O ATOM 1161 CB GLN A 80 2.271 0.288 -11.060 1.00 0.00 C ATOM 1162 CG GLN A 80 2.944 -0.357 -12.273 1.00 0.00 C ATOM 1163 CD GLN A 80 2.035 -0.296 -13.502 1.00 0.00 C ATOM 1164 OE1 GLN A 80 1.801 0.752 -14.082 1.00 0.00 O ATOM 1165 NE2 GLN A 80 1.537 -1.474 -13.867 1.00 0.00 N ATOM 0 H GLN A 80 3.680 0.782 -9.059 1.00 0.00 H new ATOM 0 HA GLN A 80 3.621 1.867 -11.532 1.00 0.00 H new ATOM 0 HB2 GLN A 80 2.395 -0.353 -10.187 1.00 0.00 H new ATOM 0 HB3 GLN A 80 1.200 0.379 -11.240 1.00 0.00 H new ATOM 0 HG2 GLN A 80 3.884 0.153 -12.486 1.00 0.00 H new ATOM 0 HG3 GLN A 80 3.188 -1.395 -12.048 1.00 0.00 H new ATOM 0 HE21 GLN A 80 1.773 -2.313 -13.338 1.00 0.00 H new ATOM 0 HE22 GLN A 80 0.919 -1.538 -14.676 1.00 0.00 H new ATOM 1174 N ILE A 81 0.797 2.636 -9.998 1.00 0.00 N ATOM 1175 CA ILE A 81 -0.292 3.597 -9.971 1.00 0.00 C ATOM 1176 C ILE A 81 0.272 5.006 -10.168 1.00 0.00 C ATOM 1177 O ILE A 81 -0.039 5.670 -11.156 1.00 0.00 O ATOM 1178 CB ILE A 81 -1.115 3.438 -8.691 1.00 0.00 C ATOM 1179 CG1 ILE A 81 -1.842 2.092 -8.670 1.00 0.00 C ATOM 1180 CG2 ILE A 81 -2.079 4.612 -8.510 1.00 0.00 C ATOM 1181 CD1 ILE A 81 -2.420 1.802 -7.284 1.00 0.00 C ATOM 0 H ILE A 81 0.722 1.888 -9.309 1.00 0.00 H new ATOM 0 HA ILE A 81 -0.984 3.412 -10.793 1.00 0.00 H new ATOM 0 HB ILE A 81 -0.431 3.448 -7.842 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -2.644 2.096 -9.408 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -1.152 1.297 -8.953 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -2.652 4.474 -7.593 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -1.513 5.541 -8.448 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -2.760 4.658 -9.360 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -2.931 0.839 -7.297 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -1.613 1.774 -6.552 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -3.128 2.585 -7.014 1.00 0.00 H new ATOM 1193 N VAL A 82 1.091 5.420 -9.213 1.00 0.00 N ATOM 1194 CA VAL A 82 1.701 6.737 -9.269 1.00 0.00 C ATOM 1195 C VAL A 82 2.192 7.006 -10.693 1.00 0.00 C ATOM 1196 O VAL A 82 1.807 7.999 -11.309 1.00 0.00 O ATOM 1197 CB VAL A 82 2.812 6.845 -8.223 1.00 0.00 C ATOM 1198 CG1 VAL A 82 3.560 8.173 -8.352 1.00 0.00 C ATOM 1199 CG2 VAL A 82 2.253 6.665 -6.810 1.00 0.00 C ATOM 0 H VAL A 82 1.347 4.866 -8.395 1.00 0.00 H new ATOM 0 HA VAL A 82 0.969 7.507 -9.026 1.00 0.00 H new ATOM 0 HB VAL A 82 3.525 6.041 -8.407 1.00 0.00 H new ATOM 0 HG11 VAL A 82 4.344 8.224 -7.597 1.00 0.00 H new ATOM 0 HG12 VAL A 82 4.006 8.244 -9.344 1.00 0.00 H new ATOM 0 HG13 VAL A 82 2.863 8.999 -8.207 1.00 0.00 H new ATOM 0 HG21 VAL A 82 3.063 6.746 -6.085 1.00 0.00 H new ATOM 0 HG22 VAL A 82 1.510 7.437 -6.612 1.00 0.00 H new ATOM 0 HG23 VAL A 82 1.787 5.683 -6.725 1.00 0.00 H new ATOM 1209 N GLU A 83 3.036 6.105 -11.174 1.00 0.00 N ATOM 1210 CA GLU A 83 3.584 6.233 -12.513 1.00 0.00 C ATOM 1211 C GLU A 83 2.455 6.334 -13.541 1.00 0.00 C ATOM 1212 O GLU A 83 2.367 7.315 -14.278 1.00 0.00 O ATOM 1213 CB GLU A 83 4.518 5.065 -12.837 1.00 0.00 C ATOM 1214 CG GLU A 83 5.515 5.448 -13.933 1.00 0.00 C ATOM 1215 CD GLU A 83 5.204 4.713 -15.238 1.00 0.00 C ATOM 1216 OE1 GLU A 83 4.019 4.740 -15.637 1.00 0.00 O ATOM 1217 OE2 GLU A 83 6.157 4.140 -15.808 1.00 0.00 O ATOM 0 H GLU A 83 3.354 5.283 -10.660 1.00 0.00 H new ATOM 0 HA GLU A 83 4.173 7.149 -12.558 1.00 0.00 H new ATOM 0 HB2 GLU A 83 5.057 4.766 -11.938 1.00 0.00 H new ATOM 0 HB3 GLU A 83 3.932 4.204 -13.158 1.00 0.00 H new ATOM 0 HG2 GLU A 83 5.481 6.524 -14.101 1.00 0.00 H new ATOM 0 HG3 GLU A 83 6.528 5.208 -13.609 1.00 0.00 H new ATOM 1224 N LYS A 84 1.620 5.305 -13.558 1.00 0.00 N ATOM 1225 CA LYS A 84 0.501 5.266 -14.484 1.00 0.00 C ATOM 1226 C LYS A 84 -0.190 6.631 -14.501 1.00 0.00 C ATOM 1227 O LYS A 84 -0.726 7.046 -15.528 1.00 0.00 O ATOM 1228 CB LYS A 84 -0.438 4.107 -14.141 1.00 0.00 C ATOM 1229 CG LYS A 84 -1.074 3.524 -15.404 1.00 0.00 C ATOM 1230 CD LYS A 84 -2.594 3.700 -15.384 1.00 0.00 C ATOM 1231 CE LYS A 84 -3.237 3.053 -16.612 1.00 0.00 C ATOM 1232 NZ LYS A 84 -4.080 4.034 -17.333 1.00 0.00 N ATOM 0 H LYS A 84 1.696 4.493 -12.946 1.00 0.00 H new ATOM 0 HA LYS A 84 0.853 5.073 -15.498 1.00 0.00 H new ATOM 0 HB2 LYS A 84 0.116 3.329 -13.616 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -1.218 4.455 -13.464 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -0.659 4.015 -16.284 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -0.828 2.465 -15.484 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -3.003 3.254 -14.477 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -2.840 4.761 -15.357 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -2.462 2.672 -17.277 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -3.842 2.200 -16.306 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -4.509 3.579 -18.164 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -4.831 4.378 -16.701 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -3.493 4.835 -17.642 1.00 0.00 H new ATOM 1246 N GLY A 85 -0.154 7.291 -13.353 1.00 0.00 N ATOM 1247 CA GLY A 85 -0.769 8.601 -13.224 1.00 0.00 C ATOM 1248 C GLY A 85 0.258 9.650 -12.793 1.00 0.00 C ATOM 1249 O GLY A 85 0.102 10.286 -11.752 1.00 0.00 O ATOM 0 H GLY A 85 0.291 6.943 -12.504 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -1.214 8.893 -14.175 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -1.577 8.557 -12.494 1.00 0.00 H new ATOM 1253 N ARG A 86 1.287 9.797 -13.615 1.00 0.00 N ATOM 1254 CA ARG A 86 2.340 10.757 -13.332 1.00 0.00 C ATOM 1255 C ARG A 86 2.393 11.824 -14.428 1.00 0.00 C ATOM 1256 O ARG A 86 2.510 13.013 -14.135 1.00 0.00 O ATOM 1257 CB ARG A 86 3.702 10.068 -13.235 1.00 0.00 C ATOM 1258 CG ARG A 86 4.113 9.870 -11.774 1.00 0.00 C ATOM 1259 CD ARG A 86 5.029 11.002 -11.305 1.00 0.00 C ATOM 1260 NE ARG A 86 5.935 10.513 -10.242 1.00 0.00 N ATOM 1261 CZ ARG A 86 6.961 11.217 -9.746 1.00 0.00 C ATOM 1262 NH1 ARG A 86 7.218 12.446 -10.213 1.00 0.00 N ATOM 1263 NH2 ARG A 86 7.730 10.693 -8.782 1.00 0.00 N ATOM 0 H ARG A 86 1.414 9.267 -14.477 1.00 0.00 H new ATOM 0 HA ARG A 86 2.114 11.225 -12.374 1.00 0.00 H new ATOM 0 HB2 ARG A 86 3.662 9.103 -13.739 1.00 0.00 H new ATOM 0 HB3 ARG A 86 4.454 10.666 -13.750 1.00 0.00 H new ATOM 0 HG2 ARG A 86 3.224 9.832 -11.144 1.00 0.00 H new ATOM 0 HG3 ARG A 86 4.624 8.914 -11.662 1.00 0.00 H new ATOM 0 HD2 ARG A 86 5.612 11.381 -12.145 1.00 0.00 H new ATOM 0 HD3 ARG A 86 4.431 11.833 -10.931 1.00 0.00 H new ATOM 0 HE ARG A 86 5.768 9.581 -9.863 1.00 0.00 H new ATOM 0 HH11 ARG A 86 6.632 12.846 -10.946 1.00 0.00 H new ATOM 0 HH12 ARG A 86 7.999 12.982 -9.835 1.00 0.00 H new ATOM 0 HH21 ARG A 86 7.534 9.758 -8.425 1.00 0.00 H new ATOM 0 HH22 ARG A 86 8.511 11.229 -8.405 1.00 0.00 H new ATOM 1277 N SER A 87 2.305 11.361 -15.666 1.00 0.00 N ATOM 1278 CA SER A 87 2.342 12.261 -16.806 1.00 0.00 C ATOM 1279 C SER A 87 1.429 11.737 -17.916 1.00 0.00 C ATOM 1280 O SER A 87 1.895 11.096 -18.857 1.00 0.00 O ATOM 1281 CB SER A 87 3.770 12.429 -17.329 1.00 0.00 C ATOM 1282 OG SER A 87 4.612 13.081 -16.382 1.00 0.00 O ATOM 0 H SER A 87 2.208 10.374 -15.905 1.00 0.00 H new ATOM 0 HA SER A 87 1.985 13.239 -16.482 1.00 0.00 H new ATOM 0 HB2 SER A 87 4.185 11.450 -17.570 1.00 0.00 H new ATOM 0 HB3 SER A 87 3.752 13.004 -18.255 1.00 0.00 H new ATOM 0 HG SER A 87 5.515 13.168 -16.753 1.00 0.00 H new ATOM 1288 N GLY A 88 0.145 12.028 -17.769 1.00 0.00 N ATOM 1289 CA GLY A 88 -0.838 11.594 -18.748 1.00 0.00 C ATOM 1290 C GLY A 88 -0.759 10.083 -18.971 1.00 0.00 C ATOM 1291 O GLY A 88 -0.109 9.372 -18.206 1.00 0.00 O ATOM 0 H GLY A 88 -0.238 12.559 -16.987 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -1.838 11.863 -18.408 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -0.671 12.114 -19.691 1.00 0.00 H new ATOM 1295 N PRO A 89 -1.446 9.625 -20.051 1.00 0.00 N ATOM 1296 CA PRO A 89 -1.460 8.211 -20.385 1.00 0.00 C ATOM 1297 C PRO A 89 -0.129 7.781 -21.007 1.00 0.00 C ATOM 1298 O PRO A 89 -0.080 7.399 -22.175 1.00 0.00 O ATOM 1299 CB PRO A 89 -2.639 8.041 -21.330 1.00 0.00 C ATOM 1300 CG PRO A 89 -2.956 9.431 -21.855 1.00 0.00 C ATOM 1301 CD PRO A 89 -2.226 10.438 -20.980 1.00 0.00 C ATOM 0 HA PRO A 89 -1.574 7.573 -19.508 1.00 0.00 H new ATOM 0 HB2 PRO A 89 -2.391 7.363 -22.146 1.00 0.00 H new ATOM 0 HB3 PRO A 89 -3.497 7.614 -20.811 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -2.640 9.528 -22.894 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -4.031 9.612 -21.831 1.00 0.00 H new ATOM 0 HD2 PRO A 89 -1.583 11.087 -21.575 1.00 0.00 H new ATOM 0 HD3 PRO A 89 -2.927 11.083 -20.450 1.00 0.00 H new ATOM 1309 N SER A 90 0.917 7.858 -20.198 1.00 0.00 N ATOM 1310 CA SER A 90 2.245 7.482 -20.654 1.00 0.00 C ATOM 1311 C SER A 90 2.478 8.003 -22.073 1.00 0.00 C ATOM 1312 O SER A 90 2.379 7.248 -23.039 1.00 0.00 O ATOM 1313 CB SER A 90 2.434 5.965 -20.607 1.00 0.00 C ATOM 1314 OG SER A 90 3.586 5.548 -21.334 1.00 0.00 O ATOM 0 H SER A 90 0.872 8.175 -19.230 1.00 0.00 H new ATOM 0 HA SER A 90 2.977 7.933 -19.984 1.00 0.00 H new ATOM 0 HB2 SER A 90 2.524 5.643 -19.570 1.00 0.00 H new ATOM 0 HB3 SER A 90 1.550 5.477 -21.017 1.00 0.00 H new ATOM 0 HG SER A 90 3.448 5.715 -22.290 1.00 0.00 H new ATOM 1320 N SER A 91 2.782 9.290 -22.155 1.00 0.00 N ATOM 1321 CA SER A 91 3.030 9.920 -23.440 1.00 0.00 C ATOM 1322 C SER A 91 3.497 11.363 -23.234 1.00 0.00 C ATOM 1323 O SER A 91 2.792 12.167 -22.626 1.00 0.00 O ATOM 1324 CB SER A 91 1.779 9.888 -24.320 1.00 0.00 C ATOM 1325 OG SER A 91 0.802 10.835 -23.894 1.00 0.00 O ATOM 0 H SER A 91 2.862 9.914 -21.352 1.00 0.00 H new ATOM 0 HA SER A 91 3.814 9.360 -23.950 1.00 0.00 H new ATOM 0 HB2 SER A 91 2.057 10.094 -25.353 1.00 0.00 H new ATOM 0 HB3 SER A 91 1.347 8.887 -24.300 1.00 0.00 H new ATOM 0 HG SER A 91 1.244 11.570 -23.420 1.00 0.00 H new ATOM 1331 N GLY A 92 4.683 11.647 -23.752 1.00 0.00 N ATOM 1332 CA GLY A 92 5.253 12.978 -23.633 1.00 0.00 C ATOM 1333 C GLY A 92 6.171 13.290 -24.816 1.00 0.00 C ATOM 1334 O GLY A 92 6.004 12.732 -25.900 1.00 0.00 O ATOM 0 H GLY A 92 5.265 10.977 -24.255 1.00 0.00 H new ATOM 0 HA2 GLY A 92 4.453 13.717 -23.584 1.00 0.00 H new ATOM 0 HA3 GLY A 92 5.815 13.055 -22.702 1.00 0.00 H new TER 1338 GLY A 92