USER MOD reduce.3.24.130724 H: found=0, std=0, add=785, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 784 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 28 HIS : no HD1:sc= -0.161 K(o=-0.12,f=-8.3!) USER MOD Set 1.2: A 71 THR OG1 : rot 180:sc= 0.0413 USER MOD Set 2.1: A 1 MET N :NH3+ -139:sc= 0.247 (180deg=-0.04) USER MOD Set 2.2: A 3 SER OG : rot 180:sc= 0.236 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 2 THR OG1 : rot -1:sc= 0.367 USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 THR OG1 : rot 78:sc= 1.1 USER MOD Single : A 15 THR OG1 : rot 70:sc= 1.24 USER MOD Single : A 16 CYS SG : rot 140:sc= -0.249 USER MOD Single : A 22 THR OG1 : rot -64:sc= 1.16 USER MOD Single : A 24 THR OG1 : rot 180:sc= -1.55! USER MOD Single : A 27 SER OG : rot 82:sc= -0.647 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ -142:sc= -0.331 (180deg=-2.09!) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ -142:sc= -1.1 (180deg=-3.19!) USER MOD Single : A 61 THR OG1 : rot 71:sc= 0.423 USER MOD Single : A 62 GLN : amide:sc= -0.14 X(o=-0.14,f=-0.14) USER MOD Single : A 65 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 68 LYS NZ :NH3+ -123:sc= 0.671 (180deg=-0.468) USER MOD Single : A 70 THR OG1 : rot 180:sc= -0.277 USER MOD Single : A 73 GLN : amide:sc= -0.347 K(o=-0.35,f=-2.6!) USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 ASN : amide:sc= -0.383 X(o=-0.38,f=-0.69) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 HIS : no HE2:sc= 0.453 K(o=0.45,f=-1.6!) USER MOD Single : A 97 HIS : no HD1:sc= -0.0494 X(o=-0.049,f=-0.049) USER MOD Single : A 98 HIS : no HD1:sc= -0.124 X(o=-0.12,f=-0.12) USER MOD Single : A 99 HIS : no HD1:sc= -0.0312 K(o=-0.031,f=-0.54) USER MOD Single : A 100 HIS : no HD1:sc= -0.0322 X(o=-0.032,f=-0.4) USER MOD Single : A 101 HIS : no HD1:sc=-0.000175 X(o=-0.00018,f=-0.03) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -13.564 -0.713 4.924 1.00 0.00 N ATOM 2 CA MET A 1 -13.222 -0.970 6.353 1.00 0.00 C ATOM 3 C MET A 1 -11.935 -1.790 6.442 1.00 0.00 C ATOM 4 O MET A 1 -11.825 -2.822 5.776 1.00 0.00 O ATOM 5 CB MET A 1 -14.376 -1.717 7.067 1.00 0.00 C ATOM 6 CG MET A 1 -15.692 -0.944 7.153 1.00 0.00 C ATOM 7 SD MET A 1 -16.978 -1.904 7.987 1.00 0.00 S ATOM 8 CE MET A 1 -18.367 -0.768 7.966 1.00 0.00 C ATOM 0 H1 MET A 1 -13.900 0.266 4.818 1.00 0.00 H new ATOM 0 H2 MET A 1 -12.719 -0.855 4.334 1.00 0.00 H new ATOM 0 H3 MET A 1 -14.312 -1.370 4.622 1.00 0.00 H new ATOM 0 HA MET A 1 -13.072 -0.012 6.850 1.00 0.00 H new ATOM 0 HB2 MET A 1 -14.558 -2.657 6.545 1.00 0.00 H new ATOM 0 HB3 MET A 1 -14.054 -1.970 8.077 1.00 0.00 H new ATOM 0 HG2 MET A 1 -15.530 -0.009 7.689 1.00 0.00 H new ATOM 0 HG3 MET A 1 -16.027 -0.682 6.149 1.00 0.00 H new ATOM 0 HE1 MET A 1 -19.226 -1.234 8.449 1.00 0.00 H new ATOM 0 HE2 MET A 1 -18.100 0.143 8.502 1.00 0.00 H new ATOM 0 HE3 MET A 1 -18.620 -0.522 6.935 1.00 0.00 H new ATOM 20 N THR A 2 -10.967 -1.307 7.263 1.00 0.00 N ATOM 21 CA THR A 2 -9.620 -1.929 7.464 1.00 0.00 C ATOM 22 C THR A 2 -8.911 -2.272 6.129 1.00 0.00 C ATOM 23 O THR A 2 -8.058 -3.169 6.064 1.00 0.00 O ATOM 24 CB THR A 2 -9.688 -3.191 8.415 1.00 0.00 C ATOM 25 OG1 THR A 2 -10.549 -4.212 7.879 1.00 0.00 O ATOM 26 CG2 THR A 2 -10.179 -2.810 9.823 1.00 0.00 C ATOM 0 H THR A 2 -11.097 -0.460 7.816 1.00 0.00 H new ATOM 0 HA THR A 2 -9.011 -1.172 7.958 1.00 0.00 H new ATOM 0 HB THR A 2 -8.673 -3.581 8.483 1.00 0.00 H new ATOM 0 HG1 THR A 2 -10.938 -3.902 7.035 1.00 0.00 H new ATOM 0 HG21 THR A 2 -10.214 -3.701 10.450 1.00 0.00 H new ATOM 0 HG22 THR A 2 -9.496 -2.083 10.262 1.00 0.00 H new ATOM 0 HG23 THR A 2 -11.176 -2.375 9.755 1.00 0.00 H new ATOM 34 N SER A 3 -9.251 -1.497 5.085 1.00 0.00 N ATOM 35 CA SER A 3 -8.839 -1.751 3.706 1.00 0.00 C ATOM 36 C SER A 3 -7.348 -1.427 3.535 1.00 0.00 C ATOM 37 O SER A 3 -6.905 -0.340 3.921 1.00 0.00 O ATOM 38 CB SER A 3 -9.714 -0.912 2.754 1.00 0.00 C ATOM 39 OG SER A 3 -11.093 -1.149 2.993 1.00 0.00 O ATOM 0 H SER A 3 -9.830 -0.663 5.184 1.00 0.00 H new ATOM 0 HA SER A 3 -8.977 -2.805 3.463 1.00 0.00 H new ATOM 0 HB2 SER A 3 -9.494 0.147 2.890 1.00 0.00 H new ATOM 0 HB3 SER A 3 -9.472 -1.158 1.720 1.00 0.00 H new ATOM 0 HG SER A 3 -11.630 -0.605 2.379 1.00 0.00 H new ATOM 45 N THR A 4 -6.601 -2.388 2.965 1.00 0.00 N ATOM 46 CA THR A 4 -5.139 -2.337 2.851 1.00 0.00 C ATOM 47 C THR A 4 -4.670 -1.077 2.088 1.00 0.00 C ATOM 48 O THR A 4 -3.870 -0.300 2.611 1.00 0.00 O ATOM 49 CB THR A 4 -4.608 -3.620 2.146 1.00 0.00 C ATOM 50 OG1 THR A 4 -5.165 -4.788 2.769 1.00 0.00 O ATOM 51 CG2 THR A 4 -3.081 -3.705 2.205 1.00 0.00 C ATOM 0 H THR A 4 -7.006 -3.235 2.565 1.00 0.00 H new ATOM 0 HA THR A 4 -4.730 -2.286 3.860 1.00 0.00 H new ATOM 0 HB THR A 4 -4.912 -3.569 1.100 1.00 0.00 H new ATOM 0 HG1 THR A 4 -4.828 -5.591 2.319 1.00 0.00 H new ATOM 0 HG21 THR A 4 -2.747 -4.613 1.703 1.00 0.00 H new ATOM 0 HG22 THR A 4 -2.649 -2.836 1.708 1.00 0.00 H new ATOM 0 HG23 THR A 4 -2.758 -3.726 3.246 1.00 0.00 H new ATOM 59 N PHE A 5 -5.216 -0.883 0.866 1.00 0.00 N ATOM 60 CA PHE A 5 -4.956 0.319 0.041 1.00 0.00 C ATOM 61 C PHE A 5 -5.282 1.599 0.817 1.00 0.00 C ATOM 62 O PHE A 5 -4.486 2.533 0.822 1.00 0.00 O ATOM 63 CB PHE A 5 -5.766 0.281 -1.302 1.00 0.00 C ATOM 64 CG PHE A 5 -5.963 1.659 -1.955 1.00 0.00 C ATOM 65 CD1 PHE A 5 -4.899 2.339 -2.544 1.00 0.00 C ATOM 66 CD2 PHE A 5 -7.206 2.302 -1.919 1.00 0.00 C ATOM 67 CE1 PHE A 5 -5.072 3.603 -3.067 1.00 0.00 C ATOM 68 CE2 PHE A 5 -7.375 3.558 -2.454 1.00 0.00 C ATOM 69 CZ PHE A 5 -6.306 4.209 -3.023 1.00 0.00 C ATOM 0 H PHE A 5 -5.847 -1.552 0.425 1.00 0.00 H new ATOM 0 HA PHE A 5 -3.894 0.319 -0.203 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -5.251 -0.373 -2.006 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -6.743 -0.162 -1.112 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -3.927 1.870 -2.591 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -8.048 1.803 -1.463 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -4.235 4.119 -3.513 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -8.345 4.032 -2.427 1.00 0.00 H new ATOM 0 HZ PHE A 5 -6.435 5.198 -3.436 1.00 0.00 H new ATOM 79 N ASP A 6 -6.468 1.625 1.447 1.00 0.00 N ATOM 80 CA ASP A 6 -6.983 2.826 2.133 1.00 0.00 C ATOM 81 C ASP A 6 -6.032 3.268 3.252 1.00 0.00 C ATOM 82 O ASP A 6 -5.738 4.456 3.374 1.00 0.00 O ATOM 83 CB ASP A 6 -8.405 2.577 2.685 1.00 0.00 C ATOM 84 CG ASP A 6 -8.990 3.805 3.406 1.00 0.00 C ATOM 85 OD1 ASP A 6 -9.330 4.794 2.729 1.00 0.00 O ATOM 86 OD2 ASP A 6 -9.106 3.792 4.652 1.00 0.00 O ATOM 0 H ASP A 6 -7.094 0.821 1.496 1.00 0.00 H new ATOM 0 HA ASP A 6 -7.041 3.633 1.402 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -9.064 2.296 1.864 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -8.379 1.734 3.376 1.00 0.00 H new ATOM 91 N ARG A 7 -5.527 2.291 4.024 1.00 0.00 N ATOM 92 CA ARG A 7 -4.532 2.526 5.088 1.00 0.00 C ATOM 93 C ARG A 7 -3.268 3.200 4.529 1.00 0.00 C ATOM 94 O ARG A 7 -2.783 4.176 5.102 1.00 0.00 O ATOM 95 CB ARG A 7 -4.134 1.190 5.768 1.00 0.00 C ATOM 96 CG ARG A 7 -5.234 0.500 6.600 1.00 0.00 C ATOM 97 CD ARG A 7 -5.630 1.303 7.850 1.00 0.00 C ATOM 98 NE ARG A 7 -6.554 0.545 8.720 1.00 0.00 N ATOM 99 CZ ARG A 7 -7.606 1.061 9.371 1.00 0.00 C ATOM 100 NH1 ARG A 7 -7.951 2.336 9.215 1.00 0.00 N ATOM 101 NH2 ARG A 7 -8.316 0.277 10.164 1.00 0.00 N ATOM 0 H ARG A 7 -5.797 1.312 3.929 1.00 0.00 H new ATOM 0 HA ARG A 7 -4.991 3.188 5.822 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -3.802 0.497 4.995 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -3.279 1.377 6.417 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -6.115 0.351 5.976 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -4.887 -0.488 6.903 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -4.734 1.565 8.413 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -6.101 2.238 7.547 1.00 0.00 H new ATOM 0 HE ARG A 7 -6.376 -0.453 8.834 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -7.412 2.938 8.592 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -8.755 2.712 9.718 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -8.060 -0.704 10.273 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -9.120 0.653 10.667 1.00 0.00 H new ATOM 115 N VAL A 8 -2.774 2.681 3.389 1.00 0.00 N ATOM 116 CA VAL A 8 -1.541 3.168 2.749 1.00 0.00 C ATOM 117 C VAL A 8 -1.763 4.554 2.122 1.00 0.00 C ATOM 118 O VAL A 8 -0.861 5.380 2.102 1.00 0.00 O ATOM 119 CB VAL A 8 -1.049 2.159 1.662 1.00 0.00 C ATOM 120 CG1 VAL A 8 0.250 2.645 0.972 1.00 0.00 C ATOM 121 CG2 VAL A 8 -0.854 0.754 2.274 1.00 0.00 C ATOM 0 H VAL A 8 -3.219 1.913 2.887 1.00 0.00 H new ATOM 0 HA VAL A 8 -0.774 3.254 3.518 1.00 0.00 H new ATOM 0 HB VAL A 8 -1.821 2.100 0.895 1.00 0.00 H new ATOM 0 HG11 VAL A 8 0.559 1.916 0.223 1.00 0.00 H new ATOM 0 HG12 VAL A 8 0.068 3.606 0.490 1.00 0.00 H new ATOM 0 HG13 VAL A 8 1.038 2.756 1.717 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -0.511 0.065 1.502 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -0.112 0.804 3.071 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -1.801 0.400 2.682 1.00 0.00 H new ATOM 131 N ALA A 9 -2.977 4.789 1.613 1.00 0.00 N ATOM 132 CA ALA A 9 -3.378 6.076 1.033 1.00 0.00 C ATOM 133 C ALA A 9 -3.407 7.168 2.115 1.00 0.00 C ATOM 134 O ALA A 9 -3.081 8.323 1.845 1.00 0.00 O ATOM 135 CB ALA A 9 -4.748 5.947 0.343 1.00 0.00 C ATOM 0 H ALA A 9 -3.715 4.086 1.592 1.00 0.00 H new ATOM 0 HA ALA A 9 -2.644 6.365 0.281 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -5.033 6.909 -0.083 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -4.687 5.203 -0.451 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -5.496 5.638 1.073 1.00 0.00 H new ATOM 141 N THR A 10 -3.831 6.774 3.333 1.00 0.00 N ATOM 142 CA THR A 10 -3.803 7.641 4.526 1.00 0.00 C ATOM 143 C THR A 10 -2.348 7.951 4.943 1.00 0.00 C ATOM 144 O THR A 10 -2.022 9.092 5.270 1.00 0.00 O ATOM 145 CB THR A 10 -4.568 6.976 5.726 1.00 0.00 C ATOM 146 OG1 THR A 10 -5.750 6.340 5.239 1.00 0.00 O ATOM 147 CG2 THR A 10 -4.982 7.993 6.805 1.00 0.00 C ATOM 0 H THR A 10 -4.203 5.842 3.516 1.00 0.00 H new ATOM 0 HA THR A 10 -4.304 8.574 4.267 1.00 0.00 H new ATOM 0 HB THR A 10 -3.884 6.259 6.180 1.00 0.00 H new ATOM 0 HG1 THR A 10 -5.512 5.490 4.813 1.00 0.00 H new ATOM 0 HG21 THR A 10 -5.507 7.477 7.609 1.00 0.00 H new ATOM 0 HG22 THR A 10 -4.093 8.480 7.206 1.00 0.00 H new ATOM 0 HG23 THR A 10 -5.640 8.743 6.365 1.00 0.00 H new ATOM 155 N ILE A 11 -1.488 6.905 4.934 1.00 0.00 N ATOM 156 CA ILE A 11 -0.039 7.032 5.210 1.00 0.00 C ATOM 157 C ILE A 11 0.612 8.043 4.249 1.00 0.00 C ATOM 158 O ILE A 11 1.223 9.007 4.699 1.00 0.00 O ATOM 159 CB ILE A 11 0.694 5.631 5.112 1.00 0.00 C ATOM 160 CG1 ILE A 11 0.202 4.675 6.246 1.00 0.00 C ATOM 161 CG2 ILE A 11 2.240 5.784 5.145 1.00 0.00 C ATOM 162 CD1 ILE A 11 0.760 3.255 6.196 1.00 0.00 C ATOM 0 H ILE A 11 -1.781 5.948 4.735 1.00 0.00 H new ATOM 0 HA ILE A 11 0.070 7.399 6.231 1.00 0.00 H new ATOM 0 HB ILE A 11 0.435 5.189 4.150 1.00 0.00 H new ATOM 0 HG12 ILE A 11 0.463 5.116 7.208 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -0.886 4.621 6.205 1.00 0.00 H new ATOM 0 HG21 ILE A 11 2.705 4.800 5.076 1.00 0.00 H new ATOM 0 HG22 ILE A 11 2.563 6.398 4.304 1.00 0.00 H new ATOM 0 HG23 ILE A 11 2.539 6.261 6.078 1.00 0.00 H new ATOM 0 HD11 ILE A 11 0.356 2.676 7.026 1.00 0.00 H new ATOM 0 HD12 ILE A 11 0.477 2.786 5.254 1.00 0.00 H new ATOM 0 HD13 ILE A 11 1.847 3.288 6.272 1.00 0.00 H new ATOM 174 N ILE A 12 0.430 7.822 2.935 1.00 0.00 N ATOM 175 CA ILE A 12 1.002 8.663 1.867 1.00 0.00 C ATOM 176 C ILE A 12 0.500 10.110 1.989 1.00 0.00 C ATOM 177 O ILE A 12 1.284 11.055 1.862 1.00 0.00 O ATOM 178 CB ILE A 12 0.659 8.077 0.437 1.00 0.00 C ATOM 179 CG1 ILE A 12 1.415 6.729 0.206 1.00 0.00 C ATOM 180 CG2 ILE A 12 0.955 9.084 -0.700 1.00 0.00 C ATOM 181 CD1 ILE A 12 1.252 6.117 -1.179 1.00 0.00 C ATOM 0 H ILE A 12 -0.126 7.044 2.580 1.00 0.00 H new ATOM 0 HA ILE A 12 2.086 8.661 1.983 1.00 0.00 H new ATOM 0 HB ILE A 12 -0.414 7.886 0.412 1.00 0.00 H new ATOM 0 HG12 ILE A 12 2.477 6.892 0.390 1.00 0.00 H new ATOM 0 HG13 ILE A 12 1.070 6.007 0.946 1.00 0.00 H new ATOM 0 HG21 ILE A 12 0.703 8.633 -1.660 1.00 0.00 H new ATOM 0 HG22 ILE A 12 0.358 9.984 -0.553 1.00 0.00 H new ATOM 0 HG23 ILE A 12 2.013 9.345 -0.689 1.00 0.00 H new ATOM 0 HD11 ILE A 12 1.816 5.186 -1.234 1.00 0.00 H new ATOM 0 HD12 ILE A 12 0.197 5.914 -1.365 1.00 0.00 H new ATOM 0 HD13 ILE A 12 1.626 6.812 -1.930 1.00 0.00 H new ATOM 193 N ALA A 13 -0.812 10.255 2.210 1.00 0.00 N ATOM 194 CA ALA A 13 -1.448 11.549 2.474 1.00 0.00 C ATOM 195 C ALA A 13 -0.748 12.326 3.614 1.00 0.00 C ATOM 196 O ALA A 13 -0.382 13.499 3.442 1.00 0.00 O ATOM 197 CB ALA A 13 -2.933 11.342 2.794 1.00 0.00 C ATOM 0 H ALA A 13 -1.466 9.472 2.210 1.00 0.00 H new ATOM 0 HA ALA A 13 -1.351 12.155 1.573 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -3.401 12.307 2.989 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -3.425 10.865 1.946 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -3.030 10.707 3.674 1.00 0.00 H new ATOM 203 N GLU A 14 -0.559 11.644 4.757 1.00 0.00 N ATOM 204 CA GLU A 14 0.118 12.209 5.940 1.00 0.00 C ATOM 205 C GLU A 14 1.619 12.457 5.693 1.00 0.00 C ATOM 206 O GLU A 14 2.194 13.363 6.297 1.00 0.00 O ATOM 207 CB GLU A 14 -0.072 11.273 7.162 1.00 0.00 C ATOM 208 CG GLU A 14 -1.510 11.226 7.713 1.00 0.00 C ATOM 209 CD GLU A 14 -1.688 10.279 8.916 1.00 0.00 C ATOM 210 OE1 GLU A 14 -0.843 10.307 9.839 1.00 0.00 O ATOM 211 OE2 GLU A 14 -2.661 9.499 8.938 1.00 0.00 O ATOM 0 H GLU A 14 -0.872 10.682 4.888 1.00 0.00 H new ATOM 0 HA GLU A 14 -0.342 13.176 6.144 1.00 0.00 H new ATOM 0 HB2 GLU A 14 0.229 10.264 6.881 1.00 0.00 H new ATOM 0 HB3 GLU A 14 0.599 11.596 7.959 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -1.809 12.232 8.008 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -2.184 10.914 6.915 1.00 0.00 H new ATOM 218 N THR A 15 2.243 11.642 4.825 1.00 0.00 N ATOM 219 CA THR A 15 3.687 11.713 4.546 1.00 0.00 C ATOM 220 C THR A 15 4.017 12.928 3.663 1.00 0.00 C ATOM 221 O THR A 15 4.735 13.841 4.086 1.00 0.00 O ATOM 222 CB THR A 15 4.187 10.389 3.867 1.00 0.00 C ATOM 223 OG1 THR A 15 3.923 9.263 4.725 1.00 0.00 O ATOM 224 CG2 THR A 15 5.689 10.426 3.538 1.00 0.00 C ATOM 0 H THR A 15 1.760 10.915 4.297 1.00 0.00 H new ATOM 0 HA THR A 15 4.207 11.831 5.496 1.00 0.00 H new ATOM 0 HB THR A 15 3.640 10.290 2.929 1.00 0.00 H new ATOM 0 HG1 THR A 15 2.958 9.095 4.757 1.00 0.00 H new ATOM 0 HG21 THR A 15 5.982 9.486 3.070 1.00 0.00 H new ATOM 0 HG22 THR A 15 5.892 11.250 2.854 1.00 0.00 H new ATOM 0 HG23 THR A 15 6.259 10.568 4.456 1.00 0.00 H new ATOM 232 N CYS A 16 3.446 12.958 2.454 1.00 0.00 N ATOM 233 CA CYS A 16 3.821 13.902 1.390 1.00 0.00 C ATOM 234 C CYS A 16 2.998 15.210 1.427 1.00 0.00 C ATOM 235 O CYS A 16 3.106 16.022 0.501 1.00 0.00 O ATOM 236 CB CYS A 16 3.622 13.179 0.046 1.00 0.00 C ATOM 237 SG CYS A 16 4.551 11.629 -0.093 1.00 0.00 S ATOM 0 H CYS A 16 2.699 12.319 2.181 1.00 0.00 H new ATOM 0 HA CYS A 16 4.859 14.202 1.533 1.00 0.00 H new ATOM 0 HB2 CYS A 16 2.561 12.970 -0.090 1.00 0.00 H new ATOM 0 HB3 CYS A 16 3.922 13.846 -0.763 1.00 0.00 H new ATOM 0 HG CYS A 16 3.817 10.735 -0.686 1.00 0.00 H new ATOM 243 N ASP A 17 2.230 15.418 2.524 1.00 0.00 N ATOM 244 CA ASP A 17 1.298 16.564 2.699 1.00 0.00 C ATOM 245 C ASP A 17 0.388 16.752 1.460 1.00 0.00 C ATOM 246 O ASP A 17 0.535 17.704 0.678 1.00 0.00 O ATOM 247 CB ASP A 17 2.086 17.857 3.081 1.00 0.00 C ATOM 248 CG ASP A 17 1.188 19.054 3.440 1.00 0.00 C ATOM 249 OD1 ASP A 17 0.514 18.996 4.489 1.00 0.00 O ATOM 250 OD2 ASP A 17 1.151 20.051 2.687 1.00 0.00 O ATOM 0 H ASP A 17 2.239 14.787 3.325 1.00 0.00 H new ATOM 0 HA ASP A 17 0.627 16.343 3.529 1.00 0.00 H new ATOM 0 HB2 ASP A 17 2.736 17.637 3.928 1.00 0.00 H new ATOM 0 HB3 ASP A 17 2.731 18.137 2.248 1.00 0.00 H new ATOM 255 N ILE A 18 -0.508 15.772 1.267 1.00 0.00 N ATOM 256 CA ILE A 18 -1.447 15.702 0.127 1.00 0.00 C ATOM 257 C ILE A 18 -2.772 15.080 0.615 1.00 0.00 C ATOM 258 O ILE A 18 -2.737 14.207 1.469 1.00 0.00 O ATOM 259 CB ILE A 18 -0.863 14.866 -1.094 1.00 0.00 C ATOM 260 CG1 ILE A 18 -0.263 13.500 -0.624 1.00 0.00 C ATOM 261 CG2 ILE A 18 0.178 15.678 -1.895 1.00 0.00 C ATOM 262 CD1 ILE A 18 0.287 12.626 -1.743 1.00 0.00 C ATOM 0 H ILE A 18 -0.605 14.987 1.911 1.00 0.00 H new ATOM 0 HA ILE A 18 -1.612 16.715 -0.241 1.00 0.00 H new ATOM 0 HB ILE A 18 -1.699 14.650 -1.759 1.00 0.00 H new ATOM 0 HG12 ILE A 18 0.536 13.697 0.091 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -1.035 12.943 -0.093 1.00 0.00 H new ATOM 0 HG21 ILE A 18 0.554 15.074 -2.721 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -0.289 16.580 -2.289 1.00 0.00 H new ATOM 0 HG23 ILE A 18 1.005 15.954 -1.241 1.00 0.00 H new ATOM 0 HD11 ILE A 18 0.681 11.701 -1.322 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -0.511 12.393 -2.448 1.00 0.00 H new ATOM 0 HD13 ILE A 18 1.085 13.158 -2.261 1.00 0.00 H new ATOM 274 N PRO A 19 -3.963 15.539 0.120 1.00 0.00 N ATOM 275 CA PRO A 19 -5.278 14.965 0.532 1.00 0.00 C ATOM 276 C PRO A 19 -5.433 13.472 0.120 1.00 0.00 C ATOM 277 O PRO A 19 -5.054 13.090 -0.986 1.00 0.00 O ATOM 278 CB PRO A 19 -6.302 15.882 -0.187 1.00 0.00 C ATOM 279 CG PRO A 19 -5.551 16.483 -1.334 1.00 0.00 C ATOM 280 CD PRO A 19 -4.129 16.653 -0.856 1.00 0.00 C ATOM 0 HA PRO A 19 -5.409 14.947 1.614 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -7.164 15.313 -0.535 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -6.679 16.653 0.484 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -5.594 15.836 -2.210 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -5.982 17.441 -1.624 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -3.416 16.578 -1.677 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -3.975 17.625 -0.388 1.00 0.00 H new ATOM 288 N ARG A 20 -6.020 12.658 1.030 1.00 0.00 N ATOM 289 CA ARG A 20 -6.145 11.179 0.903 1.00 0.00 C ATOM 290 C ARG A 20 -6.867 10.770 -0.401 1.00 0.00 C ATOM 291 O ARG A 20 -6.526 9.749 -1.012 1.00 0.00 O ATOM 292 CB ARG A 20 -6.884 10.636 2.183 1.00 0.00 C ATOM 293 CG ARG A 20 -6.740 9.118 2.529 1.00 0.00 C ATOM 294 CD ARG A 20 -7.555 8.166 1.624 1.00 0.00 C ATOM 295 NE ARG A 20 -8.927 8.653 1.398 1.00 0.00 N ATOM 296 CZ ARG A 20 -10.018 8.338 2.124 1.00 0.00 C ATOM 297 NH1 ARG A 20 -9.933 7.540 3.162 1.00 0.00 N ATOM 298 NH2 ARG A 20 -11.189 8.825 1.779 1.00 0.00 N ATOM 0 H ARG A 20 -6.430 13.015 1.893 1.00 0.00 H new ATOM 0 HA ARG A 20 -5.153 10.733 0.840 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -6.530 11.208 3.040 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -7.946 10.853 2.072 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -5.687 8.844 2.466 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -7.048 8.965 3.563 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -7.048 8.056 0.666 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -7.593 7.177 2.080 1.00 0.00 H new ATOM 0 HE ARG A 20 -9.065 9.292 0.615 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -9.031 7.147 3.431 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -10.769 7.312 3.700 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -11.268 9.437 0.967 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -12.019 8.591 2.324 1.00 0.00 H new ATOM 312 N GLU A 21 -7.800 11.619 -0.864 1.00 0.00 N ATOM 313 CA GLU A 21 -8.682 11.300 -2.002 1.00 0.00 C ATOM 314 C GLU A 21 -7.952 11.442 -3.353 1.00 0.00 C ATOM 315 O GLU A 21 -8.416 10.889 -4.353 1.00 0.00 O ATOM 316 CB GLU A 21 -9.975 12.174 -1.989 1.00 0.00 C ATOM 317 CG GLU A 21 -9.763 13.709 -1.817 1.00 0.00 C ATOM 318 CD GLU A 21 -9.899 14.185 -0.354 1.00 0.00 C ATOM 319 OE1 GLU A 21 -8.943 14.041 0.432 1.00 0.00 O ATOM 320 OE2 GLU A 21 -10.987 14.665 0.024 1.00 0.00 O ATOM 0 H GLU A 21 -7.965 12.542 -0.463 1.00 0.00 H new ATOM 0 HA GLU A 21 -8.974 10.256 -1.887 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -10.513 12.004 -2.921 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -10.618 11.824 -1.181 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -8.773 13.976 -2.188 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -10.488 14.240 -2.433 1.00 0.00 H new ATOM 327 N THR A 22 -6.812 12.177 -3.388 1.00 0.00 N ATOM 328 CA THR A 22 -6.019 12.322 -4.630 1.00 0.00 C ATOM 329 C THR A 22 -5.151 11.075 -4.892 1.00 0.00 C ATOM 330 O THR A 22 -4.588 10.936 -5.979 1.00 0.00 O ATOM 331 CB THR A 22 -5.118 13.607 -4.623 1.00 0.00 C ATOM 332 OG1 THR A 22 -4.215 13.593 -3.502 1.00 0.00 O ATOM 333 CG2 THR A 22 -5.950 14.898 -4.596 1.00 0.00 C ATOM 0 H THR A 22 -6.428 12.671 -2.582 1.00 0.00 H new ATOM 0 HA THR A 22 -6.742 12.428 -5.439 1.00 0.00 H new ATOM 0 HB THR A 22 -4.546 13.593 -5.551 1.00 0.00 H new ATOM 0 HG1 THR A 22 -4.728 13.634 -2.668 1.00 0.00 H new ATOM 0 HG21 THR A 22 -5.283 15.760 -4.592 1.00 0.00 H new ATOM 0 HG22 THR A 22 -6.589 14.937 -5.478 1.00 0.00 H new ATOM 0 HG23 THR A 22 -6.569 14.913 -3.699 1.00 0.00 H new ATOM 341 N ILE A 23 -5.037 10.170 -3.902 1.00 0.00 N ATOM 342 CA ILE A 23 -4.308 8.908 -4.081 1.00 0.00 C ATOM 343 C ILE A 23 -5.295 7.879 -4.684 1.00 0.00 C ATOM 344 O ILE A 23 -6.168 7.367 -3.975 1.00 0.00 O ATOM 345 CB ILE A 23 -3.676 8.375 -2.722 1.00 0.00 C ATOM 346 CG1 ILE A 23 -2.583 9.348 -2.135 1.00 0.00 C ATOM 347 CG2 ILE A 23 -3.071 6.968 -2.919 1.00 0.00 C ATOM 348 CD1 ILE A 23 -3.100 10.622 -1.498 1.00 0.00 C ATOM 0 H ILE A 23 -5.441 10.292 -2.973 1.00 0.00 H new ATOM 0 HA ILE A 23 -3.465 9.069 -4.753 1.00 0.00 H new ATOM 0 HB ILE A 23 -4.491 8.326 -2.000 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -2.002 8.803 -1.391 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -1.898 9.619 -2.938 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -2.644 6.621 -1.978 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -3.851 6.278 -3.240 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -2.290 7.011 -3.678 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -2.260 11.212 -1.130 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -3.653 11.200 -2.238 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -3.759 10.372 -0.667 1.00 0.00 H new ATOM 360 N THR A 24 -5.187 7.636 -6.008 1.00 0.00 N ATOM 361 CA THR A 24 -6.048 6.672 -6.725 1.00 0.00 C ATOM 362 C THR A 24 -5.509 5.232 -6.518 1.00 0.00 C ATOM 363 O THR A 24 -4.318 5.061 -6.238 1.00 0.00 O ATOM 364 CB THR A 24 -6.135 7.009 -8.264 1.00 0.00 C ATOM 365 OG1 THR A 24 -4.846 6.918 -8.875 1.00 0.00 O ATOM 366 CG2 THR A 24 -6.695 8.420 -8.515 1.00 0.00 C ATOM 0 H THR A 24 -4.504 8.100 -6.607 1.00 0.00 H new ATOM 0 HA THR A 24 -7.055 6.744 -6.314 1.00 0.00 H new ATOM 0 HB THR A 24 -6.813 6.278 -8.704 1.00 0.00 H new ATOM 0 HG1 THR A 24 -4.921 7.129 -9.829 1.00 0.00 H new ATOM 0 HG21 THR A 24 -6.737 8.609 -9.588 1.00 0.00 H new ATOM 0 HG22 THR A 24 -7.698 8.494 -8.094 1.00 0.00 H new ATOM 0 HG23 THR A 24 -6.047 9.158 -8.042 1.00 0.00 H new ATOM 374 N PRO A 25 -6.375 4.165 -6.607 1.00 0.00 N ATOM 375 CA PRO A 25 -5.918 2.757 -6.474 1.00 0.00 C ATOM 376 C PRO A 25 -4.911 2.355 -7.575 1.00 0.00 C ATOM 377 O PRO A 25 -4.000 1.560 -7.334 1.00 0.00 O ATOM 378 CB PRO A 25 -7.235 1.929 -6.547 1.00 0.00 C ATOM 379 CG PRO A 25 -8.226 2.834 -7.224 1.00 0.00 C ATOM 380 CD PRO A 25 -7.853 4.239 -6.795 1.00 0.00 C ATOM 0 HA PRO A 25 -5.370 2.587 -5.547 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -7.091 1.008 -7.112 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -7.577 1.643 -5.552 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -8.176 2.729 -8.308 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -9.246 2.591 -6.926 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -8.125 4.975 -7.551 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -8.361 4.526 -5.874 1.00 0.00 H new ATOM 388 N GLU A 26 -5.040 2.968 -8.761 1.00 0.00 N ATOM 389 CA GLU A 26 -4.169 2.672 -9.912 1.00 0.00 C ATOM 390 C GLU A 26 -3.031 3.709 -10.024 1.00 0.00 C ATOM 391 O GLU A 26 -2.336 3.752 -11.038 1.00 0.00 O ATOM 392 CB GLU A 26 -5.009 2.625 -11.207 1.00 0.00 C ATOM 393 CG GLU A 26 -5.644 3.966 -11.622 1.00 0.00 C ATOM 394 CD GLU A 26 -6.476 3.860 -12.910 1.00 0.00 C ATOM 395 OE1 GLU A 26 -5.884 3.852 -14.011 1.00 0.00 O ATOM 396 OE2 GLU A 26 -7.723 3.760 -12.827 1.00 0.00 O ATOM 0 H GLU A 26 -5.746 3.679 -8.951 1.00 0.00 H new ATOM 0 HA GLU A 26 -3.708 1.696 -9.761 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -4.375 2.274 -12.021 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -5.803 1.888 -11.081 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -6.280 4.327 -10.813 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -4.857 4.707 -11.764 1.00 0.00 H new ATOM 403 N SER A 27 -2.836 4.514 -8.965 1.00 0.00 N ATOM 404 CA SER A 27 -1.788 5.539 -8.924 1.00 0.00 C ATOM 405 C SER A 27 -0.427 4.875 -8.781 1.00 0.00 C ATOM 406 O SER A 27 -0.251 4.014 -7.916 1.00 0.00 O ATOM 407 CB SER A 27 -2.001 6.504 -7.738 1.00 0.00 C ATOM 408 OG SER A 27 -1.002 7.495 -7.697 1.00 0.00 O ATOM 0 H SER A 27 -3.401 4.470 -8.117 1.00 0.00 H new ATOM 0 HA SER A 27 -1.835 6.107 -9.853 1.00 0.00 H new ATOM 0 HB2 SER A 27 -2.980 6.975 -7.822 1.00 0.00 H new ATOM 0 HB3 SER A 27 -1.997 5.942 -6.804 1.00 0.00 H new ATOM 0 HG SER A 27 -1.224 8.209 -8.330 1.00 0.00 H new ATOM 414 N HIS A 28 0.517 5.254 -9.638 1.00 0.00 N ATOM 415 CA HIS A 28 1.914 4.899 -9.448 1.00 0.00 C ATOM 416 C HIS A 28 2.515 5.922 -8.478 1.00 0.00 C ATOM 417 O HIS A 28 2.562 7.106 -8.802 1.00 0.00 O ATOM 418 CB HIS A 28 2.670 4.895 -10.792 1.00 0.00 C ATOM 419 CG HIS A 28 4.001 4.198 -10.712 1.00 0.00 C ATOM 420 ND1 HIS A 28 5.084 4.763 -10.081 1.00 0.00 N ATOM 421 CD2 HIS A 28 4.343 2.972 -11.150 1.00 0.00 C ATOM 422 CE1 HIS A 28 6.047 3.869 -10.163 1.00 0.00 C ATOM 423 NE2 HIS A 28 5.645 2.767 -10.805 1.00 0.00 N ATOM 0 H HIS A 28 0.335 5.810 -10.474 1.00 0.00 H new ATOM 0 HA HIS A 28 2.001 3.892 -9.039 1.00 0.00 H new ATOM 0 HB2 HIS A 28 2.055 4.407 -11.548 1.00 0.00 H new ATOM 0 HB3 HIS A 28 2.823 5.923 -11.120 1.00 0.00 H new ATOM 0 HD2 HIS A 28 3.704 2.279 -11.677 1.00 0.00 H new ATOM 0 HE1 HIS A 28 7.040 4.009 -9.761 1.00 0.00 H new ATOM 0 HE2 HIS A 28 6.204 1.936 -10.998 1.00 0.00 H new ATOM 431 N ALA A 29 2.922 5.474 -7.281 1.00 0.00 N ATOM 432 CA ALA A 29 3.526 6.327 -6.244 1.00 0.00 C ATOM 433 C ALA A 29 4.607 7.277 -6.800 1.00 0.00 C ATOM 434 O ALA A 29 4.605 8.467 -6.492 1.00 0.00 O ATOM 435 CB ALA A 29 4.108 5.436 -5.138 1.00 0.00 C ATOM 0 H ALA A 29 2.840 4.496 -7.001 1.00 0.00 H new ATOM 0 HA ALA A 29 2.740 6.965 -5.840 1.00 0.00 H new ATOM 0 HB1 ALA A 29 4.557 6.061 -4.366 1.00 0.00 H new ATOM 0 HB2 ALA A 29 3.312 4.834 -4.700 1.00 0.00 H new ATOM 0 HB3 ALA A 29 4.868 4.780 -5.562 1.00 0.00 H new ATOM 441 N ILE A 30 5.457 6.772 -7.707 1.00 0.00 N ATOM 442 CA ILE A 30 6.619 7.527 -8.193 1.00 0.00 C ATOM 443 C ILE A 30 6.198 8.374 -9.413 1.00 0.00 C ATOM 444 O ILE A 30 6.242 9.607 -9.373 1.00 0.00 O ATOM 445 CB ILE A 30 7.822 6.581 -8.579 1.00 0.00 C ATOM 446 CG1 ILE A 30 8.146 5.590 -7.410 1.00 0.00 C ATOM 447 CG2 ILE A 30 9.077 7.405 -8.967 1.00 0.00 C ATOM 448 CD1 ILE A 30 9.271 4.606 -7.698 1.00 0.00 C ATOM 0 H ILE A 30 5.360 5.844 -8.118 1.00 0.00 H new ATOM 0 HA ILE A 30 6.965 8.174 -7.387 1.00 0.00 H new ATOM 0 HB ILE A 30 7.524 5.996 -9.449 1.00 0.00 H new ATOM 0 HG12 ILE A 30 8.407 6.169 -6.524 1.00 0.00 H new ATOM 0 HG13 ILE A 30 7.244 5.028 -7.169 1.00 0.00 H new ATOM 0 HG21 ILE A 30 9.890 6.728 -9.228 1.00 0.00 H new ATOM 0 HG22 ILE A 30 8.845 8.040 -9.822 1.00 0.00 H new ATOM 0 HG23 ILE A 30 9.379 8.027 -8.124 1.00 0.00 H new ATOM 0 HD11 ILE A 30 9.422 3.962 -6.831 1.00 0.00 H new ATOM 0 HD12 ILE A 30 9.008 3.996 -8.562 1.00 0.00 H new ATOM 0 HD13 ILE A 30 10.189 5.154 -7.907 1.00 0.00 H new ATOM 460 N ASP A 31 5.718 7.678 -10.458 1.00 0.00 N ATOM 461 CA ASP A 31 5.388 8.261 -11.783 1.00 0.00 C ATOM 462 C ASP A 31 4.229 9.285 -11.714 1.00 0.00 C ATOM 463 O ASP A 31 4.245 10.295 -12.423 1.00 0.00 O ATOM 464 CB ASP A 31 5.043 7.100 -12.767 1.00 0.00 C ATOM 465 CG ASP A 31 4.572 7.563 -14.160 1.00 0.00 C ATOM 466 OD1 ASP A 31 5.421 7.944 -14.997 1.00 0.00 O ATOM 467 OD2 ASP A 31 3.348 7.529 -14.429 1.00 0.00 O ATOM 0 H ASP A 31 5.543 6.674 -10.411 1.00 0.00 H new ATOM 0 HA ASP A 31 6.257 8.814 -12.139 1.00 0.00 H new ATOM 0 HB2 ASP A 31 5.923 6.468 -12.886 1.00 0.00 H new ATOM 0 HB3 ASP A 31 4.264 6.481 -12.321 1.00 0.00 H new ATOM 472 N ASP A 32 3.240 9.014 -10.849 1.00 0.00 N ATOM 473 CA ASP A 32 2.011 9.833 -10.737 1.00 0.00 C ATOM 474 C ASP A 32 2.121 10.826 -9.562 1.00 0.00 C ATOM 475 O ASP A 32 2.149 12.047 -9.775 1.00 0.00 O ATOM 476 CB ASP A 32 0.768 8.909 -10.563 1.00 0.00 C ATOM 477 CG ASP A 32 -0.559 9.679 -10.494 1.00 0.00 C ATOM 478 OD1 ASP A 32 -1.152 9.962 -11.556 1.00 0.00 O ATOM 479 OD2 ASP A 32 -1.023 10.005 -9.382 1.00 0.00 O ATOM 0 H ASP A 32 3.264 8.223 -10.206 1.00 0.00 H new ATOM 0 HA ASP A 32 1.892 10.410 -11.654 1.00 0.00 H new ATOM 0 HB2 ASP A 32 0.728 8.205 -11.394 1.00 0.00 H new ATOM 0 HB3 ASP A 32 0.886 8.321 -9.653 1.00 0.00 H new ATOM 484 N LEU A 33 2.183 10.298 -8.316 1.00 0.00 N ATOM 485 CA LEU A 33 2.152 11.128 -7.083 1.00 0.00 C ATOM 486 C LEU A 33 3.449 11.944 -6.887 1.00 0.00 C ATOM 487 O LEU A 33 3.447 12.929 -6.146 1.00 0.00 O ATOM 488 CB LEU A 33 1.884 10.234 -5.838 1.00 0.00 C ATOM 489 CG LEU A 33 0.514 9.484 -5.807 1.00 0.00 C ATOM 490 CD1 LEU A 33 0.393 8.569 -4.571 1.00 0.00 C ATOM 491 CD2 LEU A 33 -0.672 10.474 -5.887 1.00 0.00 C ATOM 0 H LEU A 33 2.255 9.297 -8.136 1.00 0.00 H new ATOM 0 HA LEU A 33 1.338 11.843 -7.199 1.00 0.00 H new ATOM 0 HB2 LEU A 33 2.681 9.494 -5.770 1.00 0.00 H new ATOM 0 HB3 LEU A 33 1.953 10.858 -4.947 1.00 0.00 H new ATOM 0 HG LEU A 33 0.475 8.846 -6.690 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -0.573 8.065 -4.585 1.00 0.00 H new ATOM 0 HD12 LEU A 33 1.190 7.826 -4.589 1.00 0.00 H new ATOM 0 HD13 LEU A 33 0.476 9.169 -3.665 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -1.611 9.920 -5.863 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -0.633 11.158 -5.039 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -0.610 11.042 -6.815 1.00 0.00 H new ATOM 503 N GLY A 34 4.536 11.544 -7.571 1.00 0.00 N ATOM 504 CA GLY A 34 5.836 12.219 -7.438 1.00 0.00 C ATOM 505 C GLY A 34 6.527 11.891 -6.122 1.00 0.00 C ATOM 506 O GLY A 34 7.092 12.769 -5.466 1.00 0.00 O ATOM 0 H GLY A 34 4.538 10.757 -8.220 1.00 0.00 H new ATOM 0 HA2 GLY A 34 6.481 11.927 -8.267 1.00 0.00 H new ATOM 0 HA3 GLY A 34 5.692 13.297 -7.511 1.00 0.00 H new ATOM 510 N ILE A 35 6.456 10.613 -5.738 1.00 0.00 N ATOM 511 CA ILE A 35 7.107 10.071 -4.537 1.00 0.00 C ATOM 512 C ILE A 35 8.396 9.379 -4.975 1.00 0.00 C ATOM 513 O ILE A 35 8.337 8.325 -5.604 1.00 0.00 O ATOM 514 CB ILE A 35 6.164 9.031 -3.821 1.00 0.00 C ATOM 515 CG1 ILE A 35 4.850 9.714 -3.353 1.00 0.00 C ATOM 516 CG2 ILE A 35 6.868 8.313 -2.649 1.00 0.00 C ATOM 517 CD1 ILE A 35 3.812 8.761 -2.795 1.00 0.00 C ATOM 0 H ILE A 35 5.934 9.911 -6.262 1.00 0.00 H new ATOM 0 HA ILE A 35 7.320 10.876 -3.834 1.00 0.00 H new ATOM 0 HB ILE A 35 5.912 8.264 -4.553 1.00 0.00 H new ATOM 0 HG12 ILE A 35 5.092 10.455 -2.591 1.00 0.00 H new ATOM 0 HG13 ILE A 35 4.415 10.253 -4.195 1.00 0.00 H new ATOM 0 HG21 ILE A 35 6.178 7.607 -2.188 1.00 0.00 H new ATOM 0 HG22 ILE A 35 7.740 7.777 -3.022 1.00 0.00 H new ATOM 0 HG23 ILE A 35 7.183 9.048 -1.909 1.00 0.00 H new ATOM 0 HD11 ILE A 35 2.928 9.322 -2.493 1.00 0.00 H new ATOM 0 HD12 ILE A 35 3.537 8.034 -3.560 1.00 0.00 H new ATOM 0 HD13 ILE A 35 4.224 8.240 -1.931 1.00 0.00 H new ATOM 529 N ASP A 36 9.556 9.978 -4.676 1.00 0.00 N ATOM 530 CA ASP A 36 10.860 9.403 -5.047 1.00 0.00 C ATOM 531 C ASP A 36 11.164 8.171 -4.165 1.00 0.00 C ATOM 532 O ASP A 36 10.478 7.933 -3.158 1.00 0.00 O ATOM 533 CB ASP A 36 11.967 10.488 -4.898 1.00 0.00 C ATOM 534 CG ASP A 36 13.325 10.070 -5.494 1.00 0.00 C ATOM 535 OD1 ASP A 36 13.512 10.224 -6.718 1.00 0.00 O ATOM 536 OD2 ASP A 36 14.194 9.565 -4.751 1.00 0.00 O ATOM 0 H ASP A 36 9.620 10.865 -4.176 1.00 0.00 H new ATOM 0 HA ASP A 36 10.835 9.075 -6.086 1.00 0.00 H new ATOM 0 HB2 ASP A 36 11.633 11.405 -5.384 1.00 0.00 H new ATOM 0 HB3 ASP A 36 12.099 10.718 -3.841 1.00 0.00 H new ATOM 541 N SER A 37 12.197 7.407 -4.551 1.00 0.00 N ATOM 542 CA SER A 37 12.650 6.201 -3.843 1.00 0.00 C ATOM 543 C SER A 37 12.900 6.477 -2.339 1.00 0.00 C ATOM 544 O SER A 37 12.532 5.660 -1.480 1.00 0.00 O ATOM 545 CB SER A 37 13.936 5.682 -4.528 1.00 0.00 C ATOM 546 OG SER A 37 14.404 4.480 -3.939 1.00 0.00 O ATOM 0 H SER A 37 12.752 7.615 -5.381 1.00 0.00 H new ATOM 0 HA SER A 37 11.868 5.444 -3.896 1.00 0.00 H new ATOM 0 HB2 SER A 37 13.740 5.514 -5.587 1.00 0.00 H new ATOM 0 HB3 SER A 37 14.713 6.444 -4.464 1.00 0.00 H new ATOM 0 HG SER A 37 15.216 4.184 -4.401 1.00 0.00 H new ATOM 552 N LEU A 38 13.449 7.674 -2.030 1.00 0.00 N ATOM 553 CA LEU A 38 13.821 8.057 -0.657 1.00 0.00 C ATOM 554 C LEU A 38 12.584 8.413 0.197 1.00 0.00 C ATOM 555 O LEU A 38 12.625 8.293 1.425 1.00 0.00 O ATOM 556 CB LEU A 38 14.889 9.198 -0.673 1.00 0.00 C ATOM 557 CG LEU A 38 14.594 10.493 -1.532 1.00 0.00 C ATOM 558 CD1 LEU A 38 13.590 11.455 -0.858 1.00 0.00 C ATOM 559 CD2 LEU A 38 15.907 11.233 -1.889 1.00 0.00 C ATOM 0 H LEU A 38 13.644 8.395 -2.724 1.00 0.00 H new ATOM 0 HA LEU A 38 14.278 7.192 -0.176 1.00 0.00 H new ATOM 0 HB2 LEU A 38 15.053 9.513 0.357 1.00 0.00 H new ATOM 0 HB3 LEU A 38 15.826 8.770 -1.029 1.00 0.00 H new ATOM 0 HG LEU A 38 14.122 10.147 -2.452 1.00 0.00 H new ATOM 0 HD11 LEU A 38 13.431 12.323 -1.499 1.00 0.00 H new ATOM 0 HD12 LEU A 38 12.642 10.941 -0.702 1.00 0.00 H new ATOM 0 HD13 LEU A 38 13.988 11.781 0.103 1.00 0.00 H new ATOM 0 HD21 LEU A 38 15.676 12.119 -2.480 1.00 0.00 H new ATOM 0 HD22 LEU A 38 16.418 11.530 -0.973 1.00 0.00 H new ATOM 0 HD23 LEU A 38 16.553 10.571 -2.466 1.00 0.00 H new ATOM 571 N ASP A 39 11.495 8.855 -0.462 1.00 0.00 N ATOM 572 CA ASP A 39 10.211 9.135 0.214 1.00 0.00 C ATOM 573 C ASP A 39 9.491 7.818 0.529 1.00 0.00 C ATOM 574 O ASP A 39 8.916 7.650 1.612 1.00 0.00 O ATOM 575 CB ASP A 39 9.282 10.010 -0.666 1.00 0.00 C ATOM 576 CG ASP A 39 9.867 11.374 -1.046 1.00 0.00 C ATOM 577 OD1 ASP A 39 9.717 12.340 -0.271 1.00 0.00 O ATOM 578 OD2 ASP A 39 10.455 11.494 -2.137 1.00 0.00 O ATOM 0 H ASP A 39 11.479 9.027 -1.467 1.00 0.00 H new ATOM 0 HA ASP A 39 10.435 9.677 1.133 1.00 0.00 H new ATOM 0 HB2 ASP A 39 9.046 9.463 -1.579 1.00 0.00 H new ATOM 0 HB3 ASP A 39 8.342 10.167 -0.136 1.00 0.00 H new ATOM 583 N PHE A 40 9.541 6.889 -0.444 1.00 0.00 N ATOM 584 CA PHE A 40 8.833 5.604 -0.368 1.00 0.00 C ATOM 585 C PHE A 40 9.457 4.694 0.715 1.00 0.00 C ATOM 586 O PHE A 40 8.794 3.795 1.214 1.00 0.00 O ATOM 587 CB PHE A 40 8.824 4.910 -1.762 1.00 0.00 C ATOM 588 CG PHE A 40 7.724 3.856 -1.926 1.00 0.00 C ATOM 589 CD1 PHE A 40 7.915 2.538 -1.516 1.00 0.00 C ATOM 590 CD2 PHE A 40 6.487 4.194 -2.478 1.00 0.00 C ATOM 591 CE1 PHE A 40 6.914 1.596 -1.658 1.00 0.00 C ATOM 592 CE2 PHE A 40 5.490 3.248 -2.616 1.00 0.00 C ATOM 593 CZ PHE A 40 5.705 1.951 -2.206 1.00 0.00 C ATOM 0 H PHE A 40 10.075 7.012 -1.304 1.00 0.00 H new ATOM 0 HA PHE A 40 7.799 5.792 -0.078 1.00 0.00 H new ATOM 0 HB2 PHE A 40 8.703 5.670 -2.534 1.00 0.00 H new ATOM 0 HB3 PHE A 40 9.793 4.438 -1.928 1.00 0.00 H new ATOM 0 HD1 PHE A 40 8.860 2.248 -1.081 1.00 0.00 H new ATOM 0 HD2 PHE A 40 6.307 5.209 -2.801 1.00 0.00 H new ATOM 0 HE1 PHE A 40 7.082 0.578 -1.338 1.00 0.00 H new ATOM 0 HE2 PHE A 40 4.539 3.526 -3.047 1.00 0.00 H new ATOM 0 HZ PHE A 40 4.924 1.213 -2.315 1.00 0.00 H new ATOM 603 N LEU A 41 10.744 4.942 1.056 1.00 0.00 N ATOM 604 CA LEU A 41 11.423 4.280 2.196 1.00 0.00 C ATOM 605 C LEU A 41 10.596 4.418 3.497 1.00 0.00 C ATOM 606 O LEU A 41 10.317 3.429 4.176 1.00 0.00 O ATOM 607 CB LEU A 41 12.836 4.889 2.421 1.00 0.00 C ATOM 608 CG LEU A 41 13.896 4.638 1.305 1.00 0.00 C ATOM 609 CD1 LEU A 41 15.244 5.312 1.653 1.00 0.00 C ATOM 610 CD2 LEU A 41 14.082 3.133 1.037 1.00 0.00 C ATOM 0 H LEU A 41 11.337 5.602 0.553 1.00 0.00 H new ATOM 0 HA LEU A 41 11.518 3.223 1.949 1.00 0.00 H new ATOM 0 HB2 LEU A 41 12.725 5.966 2.548 1.00 0.00 H new ATOM 0 HB3 LEU A 41 13.230 4.496 3.358 1.00 0.00 H new ATOM 0 HG LEU A 41 13.522 5.093 0.388 1.00 0.00 H new ATOM 0 HD11 LEU A 41 15.963 5.120 0.857 1.00 0.00 H new ATOM 0 HD12 LEU A 41 15.097 6.387 1.757 1.00 0.00 H new ATOM 0 HD13 LEU A 41 15.623 4.905 2.590 1.00 0.00 H new ATOM 0 HD21 LEU A 41 14.827 2.992 0.254 1.00 0.00 H new ATOM 0 HD22 LEU A 41 14.417 2.640 1.949 1.00 0.00 H new ATOM 0 HD23 LEU A 41 13.134 2.700 0.717 1.00 0.00 H new ATOM 622 N ASP A 42 10.186 5.666 3.783 1.00 0.00 N ATOM 623 CA ASP A 42 9.445 6.024 5.013 1.00 0.00 C ATOM 624 C ASP A 42 8.019 5.481 4.965 1.00 0.00 C ATOM 625 O ASP A 42 7.489 5.042 5.978 1.00 0.00 O ATOM 626 CB ASP A 42 9.402 7.557 5.206 1.00 0.00 C ATOM 627 CG ASP A 42 10.792 8.187 5.185 1.00 0.00 C ATOM 628 OD1 ASP A 42 11.491 8.180 6.226 1.00 0.00 O ATOM 629 OD2 ASP A 42 11.213 8.665 4.112 1.00 0.00 O ATOM 0 H ASP A 42 10.358 6.461 3.167 1.00 0.00 H new ATOM 0 HA ASP A 42 9.971 5.574 5.855 1.00 0.00 H new ATOM 0 HB2 ASP A 42 8.793 8.002 4.419 1.00 0.00 H new ATOM 0 HB3 ASP A 42 8.916 7.787 6.154 1.00 0.00 H new ATOM 634 N ILE A 43 7.413 5.528 3.766 1.00 0.00 N ATOM 635 CA ILE A 43 6.040 5.049 3.529 1.00 0.00 C ATOM 636 C ILE A 43 5.953 3.531 3.741 1.00 0.00 C ATOM 637 O ILE A 43 5.055 3.046 4.429 1.00 0.00 O ATOM 638 CB ILE A 43 5.563 5.429 2.079 1.00 0.00 C ATOM 639 CG1 ILE A 43 5.575 6.983 1.907 1.00 0.00 C ATOM 640 CG2 ILE A 43 4.164 4.840 1.758 1.00 0.00 C ATOM 641 CD1 ILE A 43 5.243 7.484 0.515 1.00 0.00 C ATOM 0 H ILE A 43 7.864 5.901 2.930 1.00 0.00 H new ATOM 0 HA ILE A 43 5.380 5.536 4.247 1.00 0.00 H new ATOM 0 HB ILE A 43 6.260 4.989 1.365 1.00 0.00 H new ATOM 0 HG12 ILE A 43 4.863 7.415 2.610 1.00 0.00 H new ATOM 0 HG13 ILE A 43 6.562 7.355 2.183 1.00 0.00 H new ATOM 0 HG21 ILE A 43 3.872 5.126 0.748 1.00 0.00 H new ATOM 0 HG22 ILE A 43 4.201 3.753 1.831 1.00 0.00 H new ATOM 0 HG23 ILE A 43 3.434 5.227 2.470 1.00 0.00 H new ATOM 0 HD11 ILE A 43 5.278 8.573 0.502 1.00 0.00 H new ATOM 0 HD12 ILE A 43 5.968 7.089 -0.196 1.00 0.00 H new ATOM 0 HD13 ILE A 43 4.243 7.150 0.237 1.00 0.00 H new ATOM 653 N ALA A 44 6.938 2.798 3.195 1.00 0.00 N ATOM 654 CA ALA A 44 6.984 1.329 3.263 1.00 0.00 C ATOM 655 C ALA A 44 7.285 0.871 4.699 1.00 0.00 C ATOM 656 O ALA A 44 6.764 -0.149 5.163 1.00 0.00 O ATOM 657 CB ALA A 44 8.034 0.782 2.283 1.00 0.00 C ATOM 0 H ALA A 44 7.726 3.209 2.694 1.00 0.00 H new ATOM 0 HA ALA A 44 6.010 0.933 2.975 1.00 0.00 H new ATOM 0 HB1 ALA A 44 8.057 -0.306 2.344 1.00 0.00 H new ATOM 0 HB2 ALA A 44 7.776 1.083 1.268 1.00 0.00 H new ATOM 0 HB3 ALA A 44 9.015 1.181 2.541 1.00 0.00 H new ATOM 663 N PHE A 45 8.153 1.638 5.376 1.00 0.00 N ATOM 664 CA PHE A 45 8.483 1.425 6.792 1.00 0.00 C ATOM 665 C PHE A 45 7.304 1.824 7.712 1.00 0.00 C ATOM 666 O PHE A 45 7.164 1.279 8.803 1.00 0.00 O ATOM 667 CB PHE A 45 9.771 2.199 7.155 1.00 0.00 C ATOM 668 CG PHE A 45 10.272 1.948 8.577 1.00 0.00 C ATOM 669 CD1 PHE A 45 10.672 0.671 8.975 1.00 0.00 C ATOM 670 CD2 PHE A 45 10.337 2.977 9.513 1.00 0.00 C ATOM 671 CE1 PHE A 45 11.111 0.437 10.259 1.00 0.00 C ATOM 672 CE2 PHE A 45 10.776 2.741 10.797 1.00 0.00 C ATOM 673 CZ PHE A 45 11.166 1.474 11.170 1.00 0.00 C ATOM 0 H PHE A 45 8.647 2.425 4.955 1.00 0.00 H new ATOM 0 HA PHE A 45 8.663 0.362 6.950 1.00 0.00 H new ATOM 0 HB2 PHE A 45 10.557 1.925 6.451 1.00 0.00 H new ATOM 0 HB3 PHE A 45 9.588 3.266 7.029 1.00 0.00 H new ATOM 0 HD1 PHE A 45 10.637 -0.144 8.267 1.00 0.00 H new ATOM 0 HD2 PHE A 45 10.039 3.975 9.228 1.00 0.00 H new ATOM 0 HE1 PHE A 45 11.412 -0.557 10.554 1.00 0.00 H new ATOM 0 HE2 PHE A 45 10.814 3.550 11.512 1.00 0.00 H new ATOM 0 HZ PHE A 45 11.515 1.291 12.175 1.00 0.00 H new ATOM 683 N ALA A 46 6.461 2.767 7.266 1.00 0.00 N ATOM 684 CA ALA A 46 5.243 3.155 8.013 1.00 0.00 C ATOM 685 C ALA A 46 4.169 2.053 7.911 1.00 0.00 C ATOM 686 O ALA A 46 3.355 1.880 8.817 1.00 0.00 O ATOM 687 CB ALA A 46 4.695 4.491 7.495 1.00 0.00 C ATOM 0 H ALA A 46 6.595 3.278 6.393 1.00 0.00 H new ATOM 0 HA ALA A 46 5.510 3.277 9.063 1.00 0.00 H new ATOM 0 HB1 ALA A 46 3.800 4.759 8.056 1.00 0.00 H new ATOM 0 HB2 ALA A 46 5.449 5.267 7.622 1.00 0.00 H new ATOM 0 HB3 ALA A 46 4.446 4.397 6.438 1.00 0.00 H new ATOM 693 N ILE A 47 4.183 1.337 6.775 1.00 0.00 N ATOM 694 CA ILE A 47 3.362 0.132 6.547 1.00 0.00 C ATOM 695 C ILE A 47 3.871 -1.024 7.437 1.00 0.00 C ATOM 696 O ILE A 47 3.085 -1.815 7.963 1.00 0.00 O ATOM 697 CB ILE A 47 3.430 -0.267 5.027 1.00 0.00 C ATOM 698 CG1 ILE A 47 2.799 0.850 4.131 1.00 0.00 C ATOM 699 CG2 ILE A 47 2.766 -1.636 4.765 1.00 0.00 C ATOM 700 CD1 ILE A 47 3.110 0.734 2.646 1.00 0.00 C ATOM 0 H ILE A 47 4.771 1.580 5.978 1.00 0.00 H new ATOM 0 HA ILE A 47 2.325 0.339 6.810 1.00 0.00 H new ATOM 0 HB ILE A 47 4.482 -0.364 4.758 1.00 0.00 H new ATOM 0 HG12 ILE A 47 1.717 0.833 4.263 1.00 0.00 H new ATOM 0 HG13 ILE A 47 3.148 1.820 4.485 1.00 0.00 H new ATOM 0 HG21 ILE A 47 2.833 -1.876 3.704 1.00 0.00 H new ATOM 0 HG22 ILE A 47 3.277 -2.405 5.344 1.00 0.00 H new ATOM 0 HG23 ILE A 47 1.718 -1.595 5.062 1.00 0.00 H new ATOM 0 HD11 ILE A 47 2.630 1.552 2.109 1.00 0.00 H new ATOM 0 HD12 ILE A 47 4.188 0.785 2.495 1.00 0.00 H new ATOM 0 HD13 ILE A 47 2.735 -0.218 2.269 1.00 0.00 H new ATOM 712 N ASP A 48 5.204 -1.106 7.582 1.00 0.00 N ATOM 713 CA ASP A 48 5.877 -2.068 8.483 1.00 0.00 C ATOM 714 C ASP A 48 5.405 -1.889 9.940 1.00 0.00 C ATOM 715 O ASP A 48 5.165 -2.867 10.658 1.00 0.00 O ATOM 716 CB ASP A 48 7.419 -1.891 8.364 1.00 0.00 C ATOM 717 CG ASP A 48 8.253 -2.716 9.376 1.00 0.00 C ATOM 718 OD1 ASP A 48 8.430 -2.268 10.530 1.00 0.00 O ATOM 719 OD2 ASP A 48 8.782 -3.789 9.009 1.00 0.00 O ATOM 0 H ASP A 48 5.853 -0.504 7.075 1.00 0.00 H new ATOM 0 HA ASP A 48 5.612 -3.082 8.184 1.00 0.00 H new ATOM 0 HB2 ASP A 48 7.724 -2.167 7.355 1.00 0.00 H new ATOM 0 HB3 ASP A 48 7.659 -0.836 8.493 1.00 0.00 H new ATOM 724 N LYS A 49 5.296 -0.621 10.354 1.00 0.00 N ATOM 725 CA LYS A 49 4.817 -0.232 11.687 1.00 0.00 C ATOM 726 C LYS A 49 3.319 -0.568 11.844 1.00 0.00 C ATOM 727 O LYS A 49 2.930 -1.291 12.765 1.00 0.00 O ATOM 728 CB LYS A 49 5.073 1.285 11.906 1.00 0.00 C ATOM 729 CG LYS A 49 6.569 1.688 11.865 1.00 0.00 C ATOM 730 CD LYS A 49 6.805 3.221 11.781 1.00 0.00 C ATOM 731 CE LYS A 49 6.527 3.990 13.093 1.00 0.00 C ATOM 732 NZ LYS A 49 5.092 4.020 13.476 1.00 0.00 N ATOM 0 H LYS A 49 5.541 0.175 9.765 1.00 0.00 H new ATOM 0 HA LYS A 49 5.364 -0.794 12.444 1.00 0.00 H new ATOM 0 HB2 LYS A 49 4.536 1.847 11.142 1.00 0.00 H new ATOM 0 HB3 LYS A 49 4.656 1.577 12.870 1.00 0.00 H new ATOM 0 HG2 LYS A 49 7.064 1.302 12.756 1.00 0.00 H new ATOM 0 HG3 LYS A 49 7.041 1.210 11.006 1.00 0.00 H new ATOM 0 HD2 LYS A 49 7.838 3.400 11.483 1.00 0.00 H new ATOM 0 HD3 LYS A 49 6.171 3.630 10.995 1.00 0.00 H new ATOM 0 HE2 LYS A 49 7.100 3.533 13.900 1.00 0.00 H new ATOM 0 HE3 LYS A 49 6.887 5.013 12.987 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 4.860 4.950 13.880 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 4.505 3.851 12.635 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 4.906 3.280 14.182 1.00 0.00 H new ATOM 746 N ALA A 50 2.509 -0.064 10.895 1.00 0.00 N ATOM 747 CA ALA A 50 1.036 -0.177 10.915 1.00 0.00 C ATOM 748 C ALA A 50 0.553 -1.645 10.933 1.00 0.00 C ATOM 749 O ALA A 50 -0.180 -2.058 11.833 1.00 0.00 O ATOM 750 CB ALA A 50 0.450 0.563 9.697 1.00 0.00 C ATOM 0 H ALA A 50 2.862 0.440 10.082 1.00 0.00 H new ATOM 0 HA ALA A 50 0.682 0.281 11.838 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -0.637 0.481 9.710 1.00 0.00 H new ATOM 0 HB2 ALA A 50 0.735 1.614 9.738 1.00 0.00 H new ATOM 0 HB3 ALA A 50 0.837 0.118 8.780 1.00 0.00 H new ATOM 756 N PHE A 51 1.005 -2.421 9.934 1.00 0.00 N ATOM 757 CA PHE A 51 0.521 -3.796 9.686 1.00 0.00 C ATOM 758 C PHE A 51 1.361 -4.858 10.425 1.00 0.00 C ATOM 759 O PHE A 51 0.931 -6.013 10.527 1.00 0.00 O ATOM 760 CB PHE A 51 0.518 -4.090 8.167 1.00 0.00 C ATOM 761 CG PHE A 51 -0.472 -3.254 7.358 1.00 0.00 C ATOM 762 CD1 PHE A 51 -1.776 -3.698 7.138 1.00 0.00 C ATOM 763 CD2 PHE A 51 -0.093 -2.034 6.798 1.00 0.00 C ATOM 764 CE1 PHE A 51 -2.662 -2.957 6.380 1.00 0.00 C ATOM 765 CE2 PHE A 51 -0.979 -1.293 6.047 1.00 0.00 C ATOM 766 CZ PHE A 51 -2.261 -1.754 5.835 1.00 0.00 C ATOM 0 H PHE A 51 1.718 -2.115 9.272 1.00 0.00 H new ATOM 0 HA PHE A 51 -0.495 -3.856 10.077 1.00 0.00 H new ATOM 0 HB2 PHE A 51 1.521 -3.920 7.776 1.00 0.00 H new ATOM 0 HB3 PHE A 51 0.291 -5.145 8.015 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -2.098 -4.635 7.567 1.00 0.00 H new ATOM 0 HD2 PHE A 51 0.910 -1.665 6.955 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -3.666 -3.318 6.214 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -0.669 -0.349 5.624 1.00 0.00 H new ATOM 0 HZ PHE A 51 -2.952 -1.173 5.242 1.00 0.00 H new ATOM 776 N GLY A 52 2.541 -4.465 10.936 1.00 0.00 N ATOM 777 CA GLY A 52 3.445 -5.394 11.635 1.00 0.00 C ATOM 778 C GLY A 52 4.067 -6.439 10.720 1.00 0.00 C ATOM 779 O GLY A 52 4.315 -7.586 11.128 1.00 0.00 O ATOM 0 H GLY A 52 2.891 -3.509 10.878 1.00 0.00 H new ATOM 0 HA2 GLY A 52 4.240 -4.823 12.115 1.00 0.00 H new ATOM 0 HA3 GLY A 52 2.893 -5.899 12.427 1.00 0.00 H new ATOM 783 N ILE A 53 4.337 -6.017 9.482 1.00 0.00 N ATOM 784 CA ILE A 53 4.927 -6.863 8.429 1.00 0.00 C ATOM 785 C ILE A 53 6.245 -6.251 7.977 1.00 0.00 C ATOM 786 O ILE A 53 6.413 -5.050 8.085 1.00 0.00 O ATOM 787 CB ILE A 53 3.975 -6.973 7.186 1.00 0.00 C ATOM 788 CG1 ILE A 53 3.676 -5.568 6.572 1.00 0.00 C ATOM 789 CG2 ILE A 53 2.664 -7.682 7.561 1.00 0.00 C ATOM 790 CD1 ILE A 53 2.971 -5.614 5.245 1.00 0.00 C ATOM 0 H ILE A 53 4.150 -5.063 9.173 1.00 0.00 H new ATOM 0 HA ILE A 53 5.082 -7.860 8.841 1.00 0.00 H new ATOM 0 HB ILE A 53 4.489 -7.569 6.432 1.00 0.00 H new ATOM 0 HG12 ILE A 53 3.068 -4.999 7.275 1.00 0.00 H new ATOM 0 HG13 ILE A 53 4.615 -5.028 6.453 1.00 0.00 H new ATOM 0 HG21 ILE A 53 2.021 -7.746 6.683 1.00 0.00 H new ATOM 0 HG22 ILE A 53 2.884 -8.686 7.924 1.00 0.00 H new ATOM 0 HG23 ILE A 53 2.156 -7.117 8.343 1.00 0.00 H new ATOM 0 HD11 ILE A 53 2.801 -4.598 4.888 1.00 0.00 H new ATOM 0 HD12 ILE A 53 3.586 -6.154 4.525 1.00 0.00 H new ATOM 0 HD13 ILE A 53 2.014 -6.124 5.359 1.00 0.00 H new ATOM 802 N LYS A 54 7.182 -7.058 7.476 1.00 0.00 N ATOM 803 CA LYS A 54 8.406 -6.523 6.862 1.00 0.00 C ATOM 804 C LYS A 54 8.258 -6.556 5.336 1.00 0.00 C ATOM 805 O LYS A 54 8.222 -7.627 4.717 1.00 0.00 O ATOM 806 CB LYS A 54 9.692 -7.267 7.350 1.00 0.00 C ATOM 807 CG LYS A 54 9.793 -8.776 7.006 1.00 0.00 C ATOM 808 CD LYS A 54 11.118 -9.436 7.477 1.00 0.00 C ATOM 809 CE LYS A 54 12.382 -8.684 7.016 1.00 0.00 C ATOM 810 NZ LYS A 54 12.468 -8.529 5.545 1.00 0.00 N ATOM 0 H LYS A 54 7.121 -8.076 7.481 1.00 0.00 H new ATOM 0 HA LYS A 54 8.534 -5.489 7.181 1.00 0.00 H new ATOM 0 HB2 LYS A 54 10.560 -6.762 6.926 1.00 0.00 H new ATOM 0 HB3 LYS A 54 9.758 -7.159 8.433 1.00 0.00 H new ATOM 0 HG2 LYS A 54 8.954 -9.301 7.462 1.00 0.00 H new ATOM 0 HG3 LYS A 54 9.698 -8.901 5.927 1.00 0.00 H new ATOM 0 HD2 LYS A 54 11.118 -9.495 8.565 1.00 0.00 H new ATOM 0 HD3 LYS A 54 11.157 -10.459 7.102 1.00 0.00 H new ATOM 0 HE2 LYS A 54 12.399 -7.698 7.480 1.00 0.00 H new ATOM 0 HE3 LYS A 54 13.264 -9.218 7.370 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 13.339 -8.016 5.300 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 12.482 -9.468 5.097 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 11.644 -7.994 5.203 1.00 0.00 H new ATOM 824 N LEU A 55 8.069 -5.364 4.736 1.00 0.00 N ATOM 825 CA LEU A 55 8.110 -5.213 3.281 1.00 0.00 C ATOM 826 C LEU A 55 9.562 -5.407 2.818 1.00 0.00 C ATOM 827 O LEU A 55 10.462 -4.740 3.341 1.00 0.00 O ATOM 828 CB LEU A 55 7.580 -3.821 2.823 1.00 0.00 C ATOM 829 CG LEU A 55 6.065 -3.517 3.100 1.00 0.00 C ATOM 830 CD1 LEU A 55 5.635 -2.173 2.470 1.00 0.00 C ATOM 831 CD2 LEU A 55 5.154 -4.668 2.611 1.00 0.00 C ATOM 0 H LEU A 55 7.887 -4.497 5.242 1.00 0.00 H new ATOM 0 HA LEU A 55 7.459 -5.962 2.831 1.00 0.00 H new ATOM 0 HB2 LEU A 55 8.177 -3.052 3.313 1.00 0.00 H new ATOM 0 HB3 LEU A 55 7.756 -3.726 1.751 1.00 0.00 H new ATOM 0 HG LEU A 55 5.947 -3.436 4.181 1.00 0.00 H new ATOM 0 HD11 LEU A 55 4.581 -1.993 2.681 1.00 0.00 H new ATOM 0 HD12 LEU A 55 6.232 -1.365 2.893 1.00 0.00 H new ATOM 0 HD13 LEU A 55 5.788 -2.211 1.391 1.00 0.00 H new ATOM 0 HD21 LEU A 55 4.113 -4.422 2.820 1.00 0.00 H new ATOM 0 HD22 LEU A 55 5.286 -4.806 1.538 1.00 0.00 H new ATOM 0 HD23 LEU A 55 5.420 -5.589 3.130 1.00 0.00 H new ATOM 843 N PRO A 56 9.837 -6.346 1.864 1.00 0.00 N ATOM 844 CA PRO A 56 11.177 -6.483 1.249 1.00 0.00 C ATOM 845 C PRO A 56 11.410 -5.399 0.180 1.00 0.00 C ATOM 846 O PRO A 56 11.721 -5.703 -0.963 1.00 0.00 O ATOM 847 CB PRO A 56 11.146 -7.915 0.655 1.00 0.00 C ATOM 848 CG PRO A 56 9.702 -8.150 0.317 1.00 0.00 C ATOM 849 CD PRO A 56 8.890 -7.366 1.337 1.00 0.00 C ATOM 0 HA PRO A 56 11.999 -6.348 1.952 1.00 0.00 H new ATOM 0 HB2 PRO A 56 11.778 -7.992 -0.230 1.00 0.00 H new ATOM 0 HB3 PRO A 56 11.511 -8.650 1.372 1.00 0.00 H new ATOM 0 HG2 PRO A 56 9.481 -7.815 -0.696 1.00 0.00 H new ATOM 0 HG3 PRO A 56 9.460 -9.212 0.361 1.00 0.00 H new ATOM 0 HD2 PRO A 56 8.019 -6.899 0.877 1.00 0.00 H new ATOM 0 HD3 PRO A 56 8.521 -8.013 2.133 1.00 0.00 H new ATOM 857 N LEU A 57 11.289 -4.122 0.607 1.00 0.00 N ATOM 858 CA LEU A 57 11.371 -2.941 -0.270 1.00 0.00 C ATOM 859 C LEU A 57 12.758 -2.852 -0.920 1.00 0.00 C ATOM 860 O LEU A 57 12.872 -2.477 -2.085 1.00 0.00 O ATOM 861 CB LEU A 57 11.027 -1.651 0.558 1.00 0.00 C ATOM 862 CG LEU A 57 10.779 -0.301 -0.218 1.00 0.00 C ATOM 863 CD1 LEU A 57 12.081 0.416 -0.626 1.00 0.00 C ATOM 864 CD2 LEU A 57 9.865 -0.527 -1.434 1.00 0.00 C ATOM 0 H LEU A 57 11.129 -3.884 1.586 1.00 0.00 H new ATOM 0 HA LEU A 57 10.644 -3.031 -1.077 1.00 0.00 H new ATOM 0 HB2 LEU A 57 10.134 -1.863 1.147 1.00 0.00 H new ATOM 0 HB3 LEU A 57 11.841 -1.483 1.263 1.00 0.00 H new ATOM 0 HG LEU A 57 10.274 0.366 0.480 1.00 0.00 H new ATOM 0 HD11 LEU A 57 11.838 1.337 -1.156 1.00 0.00 H new ATOM 0 HD12 LEU A 57 12.661 0.652 0.266 1.00 0.00 H new ATOM 0 HD13 LEU A 57 12.666 -0.234 -1.277 1.00 0.00 H new ATOM 0 HD21 LEU A 57 9.709 0.419 -1.953 1.00 0.00 H new ATOM 0 HD22 LEU A 57 10.332 -1.240 -2.113 1.00 0.00 H new ATOM 0 HD23 LEU A 57 8.905 -0.920 -1.099 1.00 0.00 H new ATOM 876 N GLU A 58 13.804 -3.192 -0.154 1.00 0.00 N ATOM 877 CA GLU A 58 15.183 -3.251 -0.672 1.00 0.00 C ATOM 878 C GLU A 58 15.326 -4.289 -1.812 1.00 0.00 C ATOM 879 O GLU A 58 16.047 -4.052 -2.788 1.00 0.00 O ATOM 880 CB GLU A 58 16.194 -3.487 0.493 1.00 0.00 C ATOM 881 CG GLU A 58 15.848 -4.614 1.511 1.00 0.00 C ATOM 882 CD GLU A 58 16.105 -6.048 1.017 1.00 0.00 C ATOM 883 OE1 GLU A 58 17.283 -6.416 0.816 1.00 0.00 O ATOM 884 OE2 GLU A 58 15.135 -6.817 0.840 1.00 0.00 O ATOM 0 H GLU A 58 13.722 -3.432 0.834 1.00 0.00 H new ATOM 0 HA GLU A 58 15.424 -2.286 -1.118 1.00 0.00 H new ATOM 0 HB2 GLU A 58 17.167 -3.711 0.057 1.00 0.00 H new ATOM 0 HB3 GLU A 58 16.300 -2.553 1.045 1.00 0.00 H new ATOM 0 HG2 GLU A 58 16.428 -4.451 2.419 1.00 0.00 H new ATOM 0 HG3 GLU A 58 14.796 -4.524 1.784 1.00 0.00 H new ATOM 891 N LYS A 59 14.602 -5.415 -1.692 1.00 0.00 N ATOM 892 CA LYS A 59 14.591 -6.487 -2.704 1.00 0.00 C ATOM 893 C LYS A 59 13.754 -6.067 -3.917 1.00 0.00 C ATOM 894 O LYS A 59 14.109 -6.368 -5.046 1.00 0.00 O ATOM 895 CB LYS A 59 14.031 -7.803 -2.096 1.00 0.00 C ATOM 896 CG LYS A 59 14.315 -9.082 -2.920 1.00 0.00 C ATOM 897 CD LYS A 59 15.832 -9.397 -3.088 1.00 0.00 C ATOM 898 CE LYS A 59 16.540 -9.863 -1.791 1.00 0.00 C ATOM 899 NZ LYS A 59 16.649 -8.804 -0.748 1.00 0.00 N ATOM 0 H LYS A 59 14.006 -5.609 -0.888 1.00 0.00 H new ATOM 0 HA LYS A 59 15.616 -6.663 -3.030 1.00 0.00 H new ATOM 0 HB2 LYS A 59 14.452 -7.932 -1.099 1.00 0.00 H new ATOM 0 HB3 LYS A 59 12.953 -7.699 -1.976 1.00 0.00 H new ATOM 0 HG2 LYS A 59 13.829 -9.930 -2.437 1.00 0.00 H new ATOM 0 HG3 LYS A 59 13.864 -8.975 -3.907 1.00 0.00 H new ATOM 0 HD2 LYS A 59 15.947 -10.170 -3.848 1.00 0.00 H new ATOM 0 HD3 LYS A 59 16.336 -8.506 -3.462 1.00 0.00 H new ATOM 0 HE2 LYS A 59 15.996 -10.712 -1.377 1.00 0.00 H new ATOM 0 HE3 LYS A 59 17.540 -10.216 -2.042 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 17.567 -8.884 -0.266 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 16.573 -7.868 -1.195 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 15.883 -8.920 -0.054 1.00 0.00 H new ATOM 913 N TRP A 60 12.650 -5.353 -3.648 1.00 0.00 N ATOM 914 CA TRP A 60 11.728 -4.846 -4.678 1.00 0.00 C ATOM 915 C TRP A 60 12.443 -3.848 -5.597 1.00 0.00 C ATOM 916 O TRP A 60 12.423 -3.993 -6.818 1.00 0.00 O ATOM 917 CB TRP A 60 10.508 -4.167 -4.005 1.00 0.00 C ATOM 918 CG TRP A 60 9.557 -5.105 -3.302 1.00 0.00 C ATOM 919 CD1 TRP A 60 9.550 -6.470 -3.333 1.00 0.00 C ATOM 920 CD2 TRP A 60 8.442 -4.724 -2.486 1.00 0.00 C ATOM 921 NE1 TRP A 60 8.510 -6.954 -2.587 1.00 0.00 N ATOM 922 CE2 TRP A 60 7.816 -5.902 -2.056 1.00 0.00 C ATOM 923 CE3 TRP A 60 7.920 -3.496 -2.079 1.00 0.00 C ATOM 924 CZ2 TRP A 60 6.697 -5.889 -1.239 1.00 0.00 C ATOM 925 CZ3 TRP A 60 6.809 -3.486 -1.266 1.00 0.00 C ATOM 926 CH2 TRP A 60 6.204 -4.675 -0.856 1.00 0.00 C ATOM 0 H TRP A 60 12.369 -5.108 -2.699 1.00 0.00 H new ATOM 0 HA TRP A 60 11.384 -5.686 -5.281 1.00 0.00 H new ATOM 0 HB2 TRP A 60 10.872 -3.436 -3.283 1.00 0.00 H new ATOM 0 HB3 TRP A 60 9.954 -3.616 -4.765 1.00 0.00 H new ATOM 0 HD1 TRP A 60 10.262 -7.080 -3.869 1.00 0.00 H new ATOM 0 HE1 TRP A 60 8.288 -7.940 -2.449 1.00 0.00 H new ATOM 0 HE3 TRP A 60 8.379 -2.571 -2.396 1.00 0.00 H new ATOM 0 HZ2 TRP A 60 6.231 -6.808 -0.916 1.00 0.00 H new ATOM 0 HZ3 TRP A 60 6.399 -2.542 -0.940 1.00 0.00 H new ATOM 0 HH2 TRP A 60 5.329 -4.634 -0.224 1.00 0.00 H new ATOM 937 N THR A 61 13.106 -2.861 -4.969 1.00 0.00 N ATOM 938 CA THR A 61 13.884 -1.829 -5.665 1.00 0.00 C ATOM 939 C THR A 61 15.073 -2.468 -6.409 1.00 0.00 C ATOM 940 O THR A 61 15.450 -1.998 -7.479 1.00 0.00 O ATOM 941 CB THR A 61 14.387 -0.732 -4.662 1.00 0.00 C ATOM 942 OG1 THR A 61 13.263 -0.184 -3.942 1.00 0.00 O ATOM 943 CG2 THR A 61 15.148 0.416 -5.369 1.00 0.00 C ATOM 0 H THR A 61 13.115 -2.759 -3.954 1.00 0.00 H new ATOM 0 HA THR A 61 13.234 -1.345 -6.394 1.00 0.00 H new ATOM 0 HB THR A 61 15.084 -1.216 -3.978 1.00 0.00 H new ATOM 0 HG1 THR A 61 12.922 -0.851 -3.310 1.00 0.00 H new ATOM 0 HG21 THR A 61 15.473 1.147 -4.629 1.00 0.00 H new ATOM 0 HG22 THR A 61 16.018 0.011 -5.886 1.00 0.00 H new ATOM 0 HG23 THR A 61 14.489 0.899 -6.090 1.00 0.00 H new ATOM 951 N GLN A 62 15.620 -3.572 -5.850 1.00 0.00 N ATOM 952 CA GLN A 62 16.720 -4.326 -6.474 1.00 0.00 C ATOM 953 C GLN A 62 16.240 -5.038 -7.753 1.00 0.00 C ATOM 954 O GLN A 62 16.951 -5.043 -8.752 1.00 0.00 O ATOM 955 CB GLN A 62 17.318 -5.355 -5.471 1.00 0.00 C ATOM 956 CG GLN A 62 18.403 -6.280 -6.064 1.00 0.00 C ATOM 957 CD GLN A 62 19.600 -5.535 -6.673 1.00 0.00 C ATOM 958 OE1 GLN A 62 19.990 -4.462 -6.205 1.00 0.00 O ATOM 959 NE2 GLN A 62 20.178 -6.084 -7.734 1.00 0.00 N ATOM 0 H GLN A 62 15.310 -3.959 -4.959 1.00 0.00 H new ATOM 0 HA GLN A 62 17.501 -3.618 -6.750 1.00 0.00 H new ATOM 0 HB2 GLN A 62 17.744 -4.813 -4.627 1.00 0.00 H new ATOM 0 HB3 GLN A 62 16.509 -5.972 -5.079 1.00 0.00 H new ATOM 0 HG2 GLN A 62 18.764 -6.947 -5.281 1.00 0.00 H new ATOM 0 HG3 GLN A 62 17.950 -6.907 -6.832 1.00 0.00 H new ATOM 0 HE21 GLN A 62 19.834 -6.972 -8.099 1.00 0.00 H new ATOM 0 HE22 GLN A 62 20.966 -5.618 -8.184 1.00 0.00 H new ATOM 968 N GLU A 63 15.044 -5.649 -7.696 1.00 0.00 N ATOM 969 CA GLU A 63 14.445 -6.349 -8.850 1.00 0.00 C ATOM 970 C GLU A 63 14.189 -5.369 -10.003 1.00 0.00 C ATOM 971 O GLU A 63 14.484 -5.674 -11.154 1.00 0.00 O ATOM 972 CB GLU A 63 13.142 -7.073 -8.429 1.00 0.00 C ATOM 973 CG GLU A 63 13.365 -8.254 -7.462 1.00 0.00 C ATOM 974 CD GLU A 63 12.058 -8.861 -6.938 1.00 0.00 C ATOM 975 OE1 GLU A 63 11.431 -9.663 -7.671 1.00 0.00 O ATOM 976 OE2 GLU A 63 11.636 -8.528 -5.805 1.00 0.00 O ATOM 0 H GLU A 63 14.467 -5.673 -6.855 1.00 0.00 H new ATOM 0 HA GLU A 63 15.149 -7.103 -9.203 1.00 0.00 H new ATOM 0 HB2 GLU A 63 12.474 -6.352 -7.958 1.00 0.00 H new ATOM 0 HB3 GLU A 63 12.637 -7.439 -9.323 1.00 0.00 H new ATOM 0 HG2 GLU A 63 13.939 -9.028 -7.971 1.00 0.00 H new ATOM 0 HG3 GLU A 63 13.965 -7.915 -6.617 1.00 0.00 H new ATOM 983 N VAL A 64 13.676 -4.177 -9.668 1.00 0.00 N ATOM 984 CA VAL A 64 13.464 -3.089 -10.646 1.00 0.00 C ATOM 985 C VAL A 64 14.814 -2.668 -11.277 1.00 0.00 C ATOM 986 O VAL A 64 14.959 -2.586 -12.504 1.00 0.00 O ATOM 987 CB VAL A 64 12.778 -1.845 -9.973 1.00 0.00 C ATOM 988 CG1 VAL A 64 12.554 -0.709 -10.999 1.00 0.00 C ATOM 989 CG2 VAL A 64 11.448 -2.243 -9.280 1.00 0.00 C ATOM 0 H VAL A 64 13.396 -3.936 -8.717 1.00 0.00 H new ATOM 0 HA VAL A 64 12.802 -3.463 -11.427 1.00 0.00 H new ATOM 0 HB VAL A 64 13.453 -1.471 -9.203 1.00 0.00 H new ATOM 0 HG11 VAL A 64 12.078 0.138 -10.505 1.00 0.00 H new ATOM 0 HG12 VAL A 64 13.513 -0.397 -11.411 1.00 0.00 H new ATOM 0 HG13 VAL A 64 11.912 -1.067 -11.804 1.00 0.00 H new ATOM 0 HG21 VAL A 64 10.997 -1.362 -8.824 1.00 0.00 H new ATOM 0 HG22 VAL A 64 10.763 -2.660 -10.019 1.00 0.00 H new ATOM 0 HG23 VAL A 64 11.648 -2.988 -8.510 1.00 0.00 H new ATOM 999 N ASN A 65 15.780 -2.425 -10.380 1.00 0.00 N ATOM 1000 CA ASN A 65 17.167 -2.020 -10.707 1.00 0.00 C ATOM 1001 C ASN A 65 17.872 -3.031 -11.641 1.00 0.00 C ATOM 1002 O ASN A 65 18.585 -2.641 -12.568 1.00 0.00 O ATOM 1003 CB ASN A 65 17.962 -1.885 -9.370 1.00 0.00 C ATOM 1004 CG ASN A 65 19.348 -1.261 -9.514 1.00 0.00 C ATOM 1005 OD1 ASN A 65 20.339 -1.948 -9.755 1.00 0.00 O ATOM 1006 ND2 ASN A 65 19.423 0.048 -9.324 1.00 0.00 N ATOM 0 H ASN A 65 15.620 -2.505 -9.376 1.00 0.00 H new ATOM 0 HA ASN A 65 17.134 -1.071 -11.241 1.00 0.00 H new ATOM 0 HB2 ASN A 65 17.378 -1.283 -8.674 1.00 0.00 H new ATOM 0 HB3 ASN A 65 18.068 -2.874 -8.924 1.00 0.00 H new ATOM 0 HD21 ASN A 65 20.326 0.520 -9.376 1.00 0.00 H new ATOM 0 HD22 ASN A 65 18.578 0.584 -9.126 1.00 0.00 H new ATOM 1013 N ASP A 66 17.665 -4.328 -11.374 1.00 0.00 N ATOM 1014 CA ASP A 66 18.357 -5.439 -12.067 1.00 0.00 C ATOM 1015 C ASP A 66 17.465 -6.061 -13.176 1.00 0.00 C ATOM 1016 O ASP A 66 17.730 -7.176 -13.664 1.00 0.00 O ATOM 1017 CB ASP A 66 18.774 -6.485 -10.988 1.00 0.00 C ATOM 1018 CG ASP A 66 19.691 -7.610 -11.490 1.00 0.00 C ATOM 1019 OD1 ASP A 66 20.560 -7.351 -12.345 1.00 0.00 O ATOM 1020 OD2 ASP A 66 19.533 -8.766 -11.044 1.00 0.00 O ATOM 0 H ASP A 66 17.006 -4.646 -10.663 1.00 0.00 H new ATOM 0 HA ASP A 66 19.246 -5.070 -12.579 1.00 0.00 H new ATOM 0 HB2 ASP A 66 19.277 -5.963 -10.174 1.00 0.00 H new ATOM 0 HB3 ASP A 66 17.872 -6.932 -10.570 1.00 0.00 H new ATOM 1025 N GLY A 67 16.415 -5.320 -13.589 1.00 0.00 N ATOM 1026 CA GLY A 67 15.534 -5.716 -14.704 1.00 0.00 C ATOM 1027 C GLY A 67 14.745 -7.010 -14.481 1.00 0.00 C ATOM 1028 O GLY A 67 14.190 -7.573 -15.423 1.00 0.00 O ATOM 0 H GLY A 67 16.156 -4.432 -13.159 1.00 0.00 H new ATOM 0 HA2 GLY A 67 14.829 -4.907 -14.894 1.00 0.00 H new ATOM 0 HA3 GLY A 67 16.140 -5.829 -15.603 1.00 0.00 H new ATOM 1032 N LYS A 68 14.704 -7.473 -13.228 1.00 0.00 N ATOM 1033 CA LYS A 68 13.977 -8.687 -12.828 1.00 0.00 C ATOM 1034 C LYS A 68 12.473 -8.380 -12.650 1.00 0.00 C ATOM 1035 O LYS A 68 11.629 -9.271 -12.783 1.00 0.00 O ATOM 1036 CB LYS A 68 14.592 -9.244 -11.518 1.00 0.00 C ATOM 1037 CG LYS A 68 16.081 -9.660 -11.637 1.00 0.00 C ATOM 1038 CD LYS A 68 16.297 -10.811 -12.650 1.00 0.00 C ATOM 1039 CE LYS A 68 17.778 -11.179 -12.852 1.00 0.00 C ATOM 1040 NZ LYS A 68 18.549 -10.064 -13.468 1.00 0.00 N ATOM 0 H LYS A 68 15.179 -7.012 -12.452 1.00 0.00 H new ATOM 0 HA LYS A 68 14.070 -9.442 -13.609 1.00 0.00 H new ATOM 0 HB2 LYS A 68 14.499 -8.489 -10.737 1.00 0.00 H new ATOM 0 HB3 LYS A 68 14.010 -10.108 -11.196 1.00 0.00 H new ATOM 0 HG2 LYS A 68 16.673 -8.797 -11.942 1.00 0.00 H new ATOM 0 HG3 LYS A 68 16.448 -9.969 -10.658 1.00 0.00 H new ATOM 0 HD2 LYS A 68 15.755 -11.693 -12.308 1.00 0.00 H new ATOM 0 HD3 LYS A 68 15.867 -10.525 -13.610 1.00 0.00 H new ATOM 0 HE2 LYS A 68 18.222 -11.439 -11.891 1.00 0.00 H new ATOM 0 HE3 LYS A 68 17.849 -12.063 -13.486 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 18.996 -10.395 -14.347 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 17.907 -9.275 -13.683 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 19.283 -9.742 -12.806 1.00 0.00 H new ATOM 1054 N ALA A 69 12.164 -7.101 -12.367 1.00 0.00 N ATOM 1055 CA ALA A 69 10.783 -6.590 -12.235 1.00 0.00 C ATOM 1056 C ALA A 69 10.720 -5.124 -12.704 1.00 0.00 C ATOM 1057 O ALA A 69 11.753 -4.528 -13.019 1.00 0.00 O ATOM 1058 CB ALA A 69 10.310 -6.724 -10.773 1.00 0.00 C ATOM 0 H ALA A 69 12.874 -6.383 -12.221 1.00 0.00 H new ATOM 0 HA ALA A 69 10.117 -7.180 -12.864 1.00 0.00 H new ATOM 0 HB1 ALA A 69 9.292 -6.345 -10.684 1.00 0.00 H new ATOM 0 HB2 ALA A 69 10.334 -7.773 -10.477 1.00 0.00 H new ATOM 0 HB3 ALA A 69 10.969 -6.149 -10.123 1.00 0.00 H new ATOM 1064 N THR A 70 9.498 -4.564 -12.773 1.00 0.00 N ATOM 1065 CA THR A 70 9.277 -3.134 -13.070 1.00 0.00 C ATOM 1066 C THR A 70 8.840 -2.400 -11.790 1.00 0.00 C ATOM 1067 O THR A 70 8.466 -3.055 -10.798 1.00 0.00 O ATOM 1068 CB THR A 70 8.191 -2.955 -14.186 1.00 0.00 C ATOM 1069 OG1 THR A 70 6.923 -3.451 -13.728 1.00 0.00 O ATOM 1070 CG2 THR A 70 8.585 -3.679 -15.493 1.00 0.00 C ATOM 0 H THR A 70 8.636 -5.089 -12.625 1.00 0.00 H new ATOM 0 HA THR A 70 10.212 -2.708 -13.433 1.00 0.00 H new ATOM 0 HB THR A 70 8.116 -1.889 -14.399 1.00 0.00 H new ATOM 0 HG1 THR A 70 6.252 -3.333 -14.432 1.00 0.00 H new ATOM 0 HG21 THR A 70 7.806 -3.530 -16.241 1.00 0.00 H new ATOM 0 HG22 THR A 70 9.526 -3.273 -15.864 1.00 0.00 H new ATOM 0 HG23 THR A 70 8.701 -4.745 -15.298 1.00 0.00 H new ATOM 1078 N THR A 71 8.904 -1.047 -11.810 1.00 0.00 N ATOM 1079 CA THR A 71 8.458 -0.206 -10.676 1.00 0.00 C ATOM 1080 C THR A 71 6.984 -0.492 -10.341 1.00 0.00 C ATOM 1081 O THR A 71 6.654 -0.755 -9.195 1.00 0.00 O ATOM 1082 CB THR A 71 8.627 1.329 -10.961 1.00 0.00 C ATOM 1083 OG1 THR A 71 8.088 1.635 -12.257 1.00 0.00 O ATOM 1084 CG2 THR A 71 10.079 1.813 -10.876 1.00 0.00 C ATOM 0 H THR A 71 9.262 -0.514 -12.603 1.00 0.00 H new ATOM 0 HA THR A 71 9.095 -0.465 -9.830 1.00 0.00 H new ATOM 0 HB THR A 71 8.081 1.857 -10.179 1.00 0.00 H new ATOM 0 HG1 THR A 71 8.191 2.593 -12.436 1.00 0.00 H new ATOM 0 HG21 THR A 71 10.119 2.882 -11.084 1.00 0.00 H new ATOM 0 HG22 THR A 71 10.468 1.623 -9.875 1.00 0.00 H new ATOM 0 HG23 THR A 71 10.684 1.278 -11.608 1.00 0.00 H new ATOM 1092 N GLU A 72 6.140 -0.470 -11.387 1.00 0.00 N ATOM 1093 CA GLU A 72 4.667 -0.644 -11.316 1.00 0.00 C ATOM 1094 C GLU A 72 4.228 -1.714 -10.293 1.00 0.00 C ATOM 1095 O GLU A 72 3.420 -1.458 -9.400 1.00 0.00 O ATOM 1096 CB GLU A 72 4.149 -1.034 -12.729 1.00 0.00 C ATOM 1097 CG GLU A 72 4.562 -0.069 -13.862 1.00 0.00 C ATOM 1098 CD GLU A 72 4.257 -0.633 -15.256 1.00 0.00 C ATOM 1099 OE1 GLU A 72 5.078 -1.426 -15.769 1.00 0.00 O ATOM 1100 OE2 GLU A 72 3.192 -0.321 -15.835 1.00 0.00 O ATOM 0 H GLU A 72 6.470 -0.326 -12.341 1.00 0.00 H new ATOM 0 HA GLU A 72 4.239 0.301 -10.980 1.00 0.00 H new ATOM 0 HB2 GLU A 72 4.514 -2.032 -12.971 1.00 0.00 H new ATOM 0 HB3 GLU A 72 3.061 -1.091 -12.698 1.00 0.00 H new ATOM 0 HG2 GLU A 72 4.040 0.879 -13.735 1.00 0.00 H new ATOM 0 HG3 GLU A 72 5.629 0.142 -13.784 1.00 0.00 H new ATOM 1107 N GLN A 73 4.849 -2.885 -10.423 1.00 0.00 N ATOM 1108 CA GLN A 73 4.482 -4.109 -9.687 1.00 0.00 C ATOM 1109 C GLN A 73 4.573 -3.949 -8.147 1.00 0.00 C ATOM 1110 O GLN A 73 3.920 -4.689 -7.408 1.00 0.00 O ATOM 1111 CB GLN A 73 5.362 -5.273 -10.205 1.00 0.00 C ATOM 1112 CG GLN A 73 5.226 -5.495 -11.729 1.00 0.00 C ATOM 1113 CD GLN A 73 6.161 -6.549 -12.317 1.00 0.00 C ATOM 1114 OE1 GLN A 73 7.263 -6.771 -11.824 1.00 0.00 O ATOM 1115 NE2 GLN A 73 5.725 -7.205 -13.380 1.00 0.00 N ATOM 0 H GLN A 73 5.639 -3.020 -11.054 1.00 0.00 H new ATOM 0 HA GLN A 73 3.431 -4.327 -9.878 1.00 0.00 H new ATOM 0 HB2 GLN A 73 6.405 -5.069 -9.964 1.00 0.00 H new ATOM 0 HB3 GLN A 73 5.088 -6.190 -9.683 1.00 0.00 H new ATOM 0 HG2 GLN A 73 4.197 -5.782 -11.948 1.00 0.00 H new ATOM 0 HG3 GLN A 73 5.408 -4.547 -12.236 1.00 0.00 H new ATOM 0 HE21 GLN A 73 4.804 -6.997 -13.765 1.00 0.00 H new ATOM 0 HE22 GLN A 73 6.310 -7.919 -13.814 1.00 0.00 H new ATOM 1124 N TYR A 74 5.397 -3.002 -7.671 1.00 0.00 N ATOM 1125 CA TYR A 74 5.560 -2.729 -6.223 1.00 0.00 C ATOM 1126 C TYR A 74 5.178 -1.289 -5.863 1.00 0.00 C ATOM 1127 O TYR A 74 4.860 -1.005 -4.700 1.00 0.00 O ATOM 1128 CB TYR A 74 7.031 -2.979 -5.815 1.00 0.00 C ATOM 1129 CG TYR A 74 7.564 -4.339 -6.272 1.00 0.00 C ATOM 1130 CD1 TYR A 74 6.971 -5.524 -5.823 1.00 0.00 C ATOM 1131 CD2 TYR A 74 8.632 -4.443 -7.168 1.00 0.00 C ATOM 1132 CE1 TYR A 74 7.433 -6.751 -6.232 1.00 0.00 C ATOM 1133 CE2 TYR A 74 9.093 -5.675 -7.580 1.00 0.00 C ATOM 1134 CZ TYR A 74 8.486 -6.824 -7.112 1.00 0.00 C ATOM 1135 OH TYR A 74 8.934 -8.056 -7.527 1.00 0.00 O ATOM 0 H TYR A 74 5.968 -2.405 -8.269 1.00 0.00 H new ATOM 0 HA TYR A 74 4.892 -3.400 -5.683 1.00 0.00 H new ATOM 0 HB2 TYR A 74 7.656 -2.192 -6.236 1.00 0.00 H new ATOM 0 HB3 TYR A 74 7.117 -2.909 -4.731 1.00 0.00 H new ATOM 0 HD1 TYR A 74 6.134 -5.473 -5.142 1.00 0.00 H new ATOM 0 HD2 TYR A 74 9.102 -3.546 -7.543 1.00 0.00 H new ATOM 0 HE1 TYR A 74 6.971 -7.655 -5.864 1.00 0.00 H new ATOM 0 HE2 TYR A 74 9.925 -5.742 -8.266 1.00 0.00 H new ATOM 0 HH TYR A 74 9.683 -7.940 -8.148 1.00 0.00 H new ATOM 1145 N PHE A 75 5.220 -0.379 -6.849 1.00 0.00 N ATOM 1146 CA PHE A 75 5.133 1.076 -6.613 1.00 0.00 C ATOM 1147 C PHE A 75 3.855 1.659 -7.255 1.00 0.00 C ATOM 1148 O PHE A 75 3.777 2.856 -7.496 1.00 0.00 O ATOM 1149 CB PHE A 75 6.424 1.769 -7.155 1.00 0.00 C ATOM 1150 CG PHE A 75 7.719 1.307 -6.463 1.00 0.00 C ATOM 1151 CD1 PHE A 75 8.124 1.871 -5.259 1.00 0.00 C ATOM 1152 CD2 PHE A 75 8.529 0.307 -7.014 1.00 0.00 C ATOM 1153 CE1 PHE A 75 9.281 1.449 -4.631 1.00 0.00 C ATOM 1154 CE2 PHE A 75 9.686 -0.112 -6.388 1.00 0.00 C ATOM 1155 CZ PHE A 75 10.062 0.459 -5.196 1.00 0.00 C ATOM 0 H PHE A 75 5.315 -0.628 -7.833 1.00 0.00 H new ATOM 0 HA PHE A 75 5.066 1.267 -5.542 1.00 0.00 H new ATOM 0 HB2 PHE A 75 6.506 1.575 -8.224 1.00 0.00 H new ATOM 0 HB3 PHE A 75 6.324 2.848 -7.033 1.00 0.00 H new ATOM 0 HD1 PHE A 75 7.527 2.650 -4.808 1.00 0.00 H new ATOM 0 HD2 PHE A 75 8.242 -0.147 -7.951 1.00 0.00 H new ATOM 0 HE1 PHE A 75 9.576 1.896 -3.693 1.00 0.00 H new ATOM 0 HE2 PHE A 75 10.293 -0.886 -6.834 1.00 0.00 H new ATOM 0 HZ PHE A 75 10.966 0.135 -4.702 1.00 0.00 H new ATOM 1165 N VAL A 76 2.864 0.791 -7.536 1.00 0.00 N ATOM 1166 CA VAL A 76 1.462 1.199 -7.765 1.00 0.00 C ATOM 1167 C VAL A 76 0.668 0.805 -6.517 1.00 0.00 C ATOM 1168 O VAL A 76 0.882 -0.268 -5.984 1.00 0.00 O ATOM 1169 CB VAL A 76 0.812 0.533 -9.044 1.00 0.00 C ATOM 1170 CG1 VAL A 76 -0.702 0.832 -9.151 1.00 0.00 C ATOM 1171 CG2 VAL A 76 1.518 0.979 -10.337 1.00 0.00 C ATOM 0 H VAL A 76 3.012 -0.215 -7.611 1.00 0.00 H new ATOM 0 HA VAL A 76 1.441 2.273 -7.947 1.00 0.00 H new ATOM 0 HB VAL A 76 0.942 -0.543 -8.924 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -1.105 0.355 -10.044 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -1.213 0.443 -8.270 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -0.857 1.909 -9.214 1.00 0.00 H new ATOM 0 HG21 VAL A 76 1.044 0.501 -11.194 1.00 0.00 H new ATOM 0 HG22 VAL A 76 1.443 2.062 -10.438 1.00 0.00 H new ATOM 0 HG23 VAL A 76 2.568 0.691 -10.296 1.00 0.00 H new ATOM 1181 N LEU A 77 -0.250 1.669 -6.098 1.00 0.00 N ATOM 1182 CA LEU A 77 -1.000 1.553 -4.838 1.00 0.00 C ATOM 1183 C LEU A 77 -1.776 0.224 -4.690 1.00 0.00 C ATOM 1184 O LEU A 77 -1.792 -0.351 -3.601 1.00 0.00 O ATOM 1185 CB LEU A 77 -1.942 2.783 -4.689 1.00 0.00 C ATOM 1186 CG LEU A 77 -1.347 4.007 -3.936 1.00 0.00 C ATOM 1187 CD1 LEU A 77 -1.090 3.666 -2.455 1.00 0.00 C ATOM 1188 CD2 LEU A 77 -0.076 4.560 -4.627 1.00 0.00 C ATOM 0 H LEU A 77 -0.506 2.497 -6.637 1.00 0.00 H new ATOM 0 HA LEU A 77 -0.272 1.541 -4.027 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -2.246 3.106 -5.685 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -2.845 2.464 -4.168 1.00 0.00 H new ATOM 0 HG LEU A 77 -2.088 4.805 -3.973 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -0.674 4.537 -1.948 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -2.029 3.383 -1.979 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -0.385 2.837 -2.389 1.00 0.00 H new ATOM 0 HD21 LEU A 77 0.302 5.413 -4.064 1.00 0.00 H new ATOM 0 HD22 LEU A 77 0.687 3.782 -4.662 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -0.321 4.874 -5.642 1.00 0.00 H new ATOM 1200 N LYS A 78 -2.400 -0.254 -5.778 1.00 0.00 N ATOM 1201 CA LYS A 78 -3.193 -1.515 -5.759 1.00 0.00 C ATOM 1202 C LYS A 78 -2.272 -2.754 -5.666 1.00 0.00 C ATOM 1203 O LYS A 78 -2.584 -3.722 -4.970 1.00 0.00 O ATOM 1204 CB LYS A 78 -4.114 -1.605 -7.017 1.00 0.00 C ATOM 1205 CG LYS A 78 -3.361 -1.543 -8.364 1.00 0.00 C ATOM 1206 CD LYS A 78 -4.291 -1.560 -9.599 1.00 0.00 C ATOM 1207 CE LYS A 78 -3.507 -1.420 -10.918 1.00 0.00 C ATOM 1208 NZ LYS A 78 -4.394 -1.483 -12.113 1.00 0.00 N ATOM 0 H LYS A 78 -2.377 0.207 -6.688 1.00 0.00 H new ATOM 0 HA LYS A 78 -3.824 -1.501 -4.870 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -4.679 -2.536 -6.973 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -4.838 -0.791 -6.981 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -2.755 -0.638 -8.390 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -2.675 -2.388 -8.426 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -4.858 -2.491 -9.612 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -5.013 -0.748 -9.519 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -2.967 -0.473 -10.918 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -2.761 -2.212 -10.980 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -3.822 -1.384 -12.976 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -4.890 -2.397 -12.129 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -5.090 -0.712 -12.069 1.00 0.00 H new ATOM 1222 N ASN A 79 -1.132 -2.692 -6.377 1.00 0.00 N ATOM 1223 CA ASN A 79 -0.151 -3.794 -6.444 1.00 0.00 C ATOM 1224 C ASN A 79 0.589 -3.914 -5.110 1.00 0.00 C ATOM 1225 O ASN A 79 0.758 -5.008 -4.579 1.00 0.00 O ATOM 1226 CB ASN A 79 0.844 -3.552 -7.610 1.00 0.00 C ATOM 1227 CG ASN A 79 0.176 -3.483 -8.985 1.00 0.00 C ATOM 1228 OD1 ASN A 79 -0.858 -4.105 -9.228 1.00 0.00 O ATOM 1229 ND2 ASN A 79 0.770 -2.735 -9.896 1.00 0.00 N ATOM 0 H ASN A 79 -0.863 -1.874 -6.924 1.00 0.00 H new ATOM 0 HA ASN A 79 -0.675 -4.731 -6.633 1.00 0.00 H new ATOM 0 HB2 ASN A 79 1.381 -2.621 -7.430 1.00 0.00 H new ATOM 0 HB3 ASN A 79 1.585 -4.352 -7.616 1.00 0.00 H new ATOM 0 HD21 ASN A 79 0.373 -2.660 -10.833 1.00 0.00 H new ATOM 0 HD22 ASN A 79 1.626 -2.232 -9.663 1.00 0.00 H new ATOM 1236 N LEU A 80 1.013 -2.755 -4.599 1.00 0.00 N ATOM 1237 CA LEU A 80 1.593 -2.589 -3.261 1.00 0.00 C ATOM 1238 C LEU A 80 0.649 -3.168 -2.195 1.00 0.00 C ATOM 1239 O LEU A 80 1.078 -3.955 -1.362 1.00 0.00 O ATOM 1240 CB LEU A 80 1.856 -1.081 -2.990 1.00 0.00 C ATOM 1241 CG LEU A 80 2.419 -0.708 -1.578 1.00 0.00 C ATOM 1242 CD1 LEU A 80 3.816 -1.322 -1.331 1.00 0.00 C ATOM 1243 CD2 LEU A 80 2.430 0.821 -1.377 1.00 0.00 C ATOM 0 H LEU A 80 0.961 -1.879 -5.119 1.00 0.00 H new ATOM 0 HA LEU A 80 2.538 -3.129 -3.212 1.00 0.00 H new ATOM 0 HB2 LEU A 80 2.556 -0.717 -3.742 1.00 0.00 H new ATOM 0 HB3 LEU A 80 0.921 -0.541 -3.137 1.00 0.00 H new ATOM 0 HG LEU A 80 1.749 -1.140 -0.835 1.00 0.00 H new ATOM 0 HD11 LEU A 80 4.168 -1.038 -0.340 1.00 0.00 H new ATOM 0 HD12 LEU A 80 3.753 -2.408 -1.396 1.00 0.00 H new ATOM 0 HD13 LEU A 80 4.513 -0.954 -2.083 1.00 0.00 H new ATOM 0 HD21 LEU A 80 2.825 1.055 -0.389 1.00 0.00 H new ATOM 0 HD22 LEU A 80 3.058 1.284 -2.138 1.00 0.00 H new ATOM 0 HD23 LEU A 80 1.414 1.206 -1.462 1.00 0.00 H new ATOM 1255 N ALA A 81 -0.643 -2.805 -2.282 1.00 0.00 N ATOM 1256 CA ALA A 81 -1.674 -3.261 -1.331 1.00 0.00 C ATOM 1257 C ALA A 81 -1.858 -4.788 -1.378 1.00 0.00 C ATOM 1258 O ALA A 81 -2.160 -5.414 -0.360 1.00 0.00 O ATOM 1259 CB ALA A 81 -2.999 -2.541 -1.600 1.00 0.00 C ATOM 0 H ALA A 81 -1.002 -2.189 -3.011 1.00 0.00 H new ATOM 0 HA ALA A 81 -1.337 -3.009 -0.326 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -3.751 -2.887 -0.891 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -2.859 -1.466 -1.485 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -3.331 -2.757 -2.616 1.00 0.00 H new ATOM 1265 N ALA A 82 -1.656 -5.378 -2.566 1.00 0.00 N ATOM 1266 CA ALA A 82 -1.699 -6.838 -2.748 1.00 0.00 C ATOM 1267 C ALA A 82 -0.500 -7.503 -2.050 1.00 0.00 C ATOM 1268 O ALA A 82 -0.653 -8.541 -1.402 1.00 0.00 O ATOM 1269 CB ALA A 82 -1.737 -7.187 -4.243 1.00 0.00 C ATOM 0 H ALA A 82 -1.459 -4.861 -3.423 1.00 0.00 H new ATOM 0 HA ALA A 82 -2.609 -7.224 -2.288 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -1.769 -8.270 -4.363 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -2.624 -6.745 -4.697 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -0.845 -6.794 -4.731 1.00 0.00 H new ATOM 1275 N ARG A 83 0.687 -6.878 -2.190 1.00 0.00 N ATOM 1276 CA ARG A 83 1.927 -7.349 -1.542 1.00 0.00 C ATOM 1277 C ARG A 83 1.784 -7.364 -0.008 1.00 0.00 C ATOM 1278 O ARG A 83 2.188 -8.319 0.666 1.00 0.00 O ATOM 1279 CB ARG A 83 3.143 -6.446 -1.921 1.00 0.00 C ATOM 1280 CG ARG A 83 3.437 -6.225 -3.434 1.00 0.00 C ATOM 1281 CD ARG A 83 3.254 -7.486 -4.294 1.00 0.00 C ATOM 1282 NE ARG A 83 3.934 -8.673 -3.725 1.00 0.00 N ATOM 1283 CZ ARG A 83 3.413 -9.913 -3.707 1.00 0.00 C ATOM 1284 NH1 ARG A 83 2.208 -10.147 -4.222 1.00 0.00 N ATOM 1285 NH2 ARG A 83 4.092 -10.919 -3.175 1.00 0.00 N ATOM 0 H ARG A 83 0.812 -6.037 -2.753 1.00 0.00 H new ATOM 0 HA ARG A 83 2.103 -8.363 -1.901 1.00 0.00 H new ATOM 0 HB2 ARG A 83 2.991 -5.469 -1.463 1.00 0.00 H new ATOM 0 HB3 ARG A 83 4.035 -6.876 -1.465 1.00 0.00 H new ATOM 0 HG2 ARG A 83 2.780 -5.441 -3.811 1.00 0.00 H new ATOM 0 HG3 ARG A 83 4.460 -5.865 -3.547 1.00 0.00 H new ATOM 0 HD2 ARG A 83 2.190 -7.698 -4.398 1.00 0.00 H new ATOM 0 HD3 ARG A 83 3.641 -7.297 -5.295 1.00 0.00 H new ATOM 0 HE ARG A 83 4.860 -8.541 -3.319 1.00 0.00 H new ATOM 0 HH11 ARG A 83 1.672 -9.383 -4.634 1.00 0.00 H new ATOM 0 HH12 ARG A 83 1.820 -11.090 -4.204 1.00 0.00 H new ATOM 0 HH21 ARG A 83 5.016 -10.756 -2.776 1.00 0.00 H new ATOM 0 HH22 ARG A 83 3.690 -11.857 -3.165 1.00 0.00 H new ATOM 1299 N ILE A 84 1.211 -6.272 0.508 1.00 0.00 N ATOM 1300 CA ILE A 84 0.986 -6.054 1.944 1.00 0.00 C ATOM 1301 C ILE A 84 -0.023 -7.075 2.485 1.00 0.00 C ATOM 1302 O ILE A 84 0.230 -7.706 3.499 1.00 0.00 O ATOM 1303 CB ILE A 84 0.469 -4.592 2.179 1.00 0.00 C ATOM 1304 CG1 ILE A 84 1.534 -3.557 1.702 1.00 0.00 C ATOM 1305 CG2 ILE A 84 0.069 -4.336 3.655 1.00 0.00 C ATOM 1306 CD1 ILE A 84 1.026 -2.132 1.624 1.00 0.00 C ATOM 0 H ILE A 84 0.883 -5.499 -0.071 1.00 0.00 H new ATOM 0 HA ILE A 84 1.926 -6.187 2.479 1.00 0.00 H new ATOM 0 HB ILE A 84 -0.436 -4.468 1.584 1.00 0.00 H new ATOM 0 HG12 ILE A 84 2.386 -3.590 2.381 1.00 0.00 H new ATOM 0 HG13 ILE A 84 1.899 -3.855 0.719 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -0.282 -3.310 3.764 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -0.727 -5.024 3.941 1.00 0.00 H new ATOM 0 HG23 ILE A 84 0.934 -4.494 4.299 1.00 0.00 H new ATOM 0 HD11 ILE A 84 1.829 -1.478 1.284 1.00 0.00 H new ATOM 0 HD12 ILE A 84 0.194 -2.080 0.922 1.00 0.00 H new ATOM 0 HD13 ILE A 84 0.689 -1.811 2.610 1.00 0.00 H new ATOM 1318 N ASP A 85 -1.142 -7.257 1.752 1.00 0.00 N ATOM 1319 CA ASP A 85 -2.243 -8.158 2.157 1.00 0.00 C ATOM 1320 C ASP A 85 -1.752 -9.617 2.265 1.00 0.00 C ATOM 1321 O ASP A 85 -2.158 -10.345 3.182 1.00 0.00 O ATOM 1322 CB ASP A 85 -3.427 -8.052 1.161 1.00 0.00 C ATOM 1323 CG ASP A 85 -4.645 -8.899 1.581 1.00 0.00 C ATOM 1324 OD1 ASP A 85 -5.392 -8.470 2.482 1.00 0.00 O ATOM 1325 OD2 ASP A 85 -4.851 -10.000 1.025 1.00 0.00 O ATOM 0 H ASP A 85 -1.308 -6.784 0.864 1.00 0.00 H new ATOM 0 HA ASP A 85 -2.591 -7.846 3.142 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -3.730 -7.008 1.074 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -3.093 -8.370 0.173 1.00 0.00 H new ATOM 1330 N GLU A 86 -0.867 -10.021 1.325 1.00 0.00 N ATOM 1331 CA GLU A 86 -0.208 -11.342 1.366 1.00 0.00 C ATOM 1332 C GLU A 86 0.600 -11.506 2.660 1.00 0.00 C ATOM 1333 O GLU A 86 0.431 -12.491 3.371 1.00 0.00 O ATOM 1334 CB GLU A 86 0.720 -11.565 0.140 1.00 0.00 C ATOM 1335 CG GLU A 86 -0.019 -11.849 -1.184 1.00 0.00 C ATOM 1336 CD GLU A 86 0.869 -12.353 -2.339 1.00 0.00 C ATOM 1337 OE1 GLU A 86 2.021 -12.797 -2.102 1.00 0.00 O ATOM 1338 OE2 GLU A 86 0.412 -12.327 -3.501 1.00 0.00 O ATOM 0 H GLU A 86 -0.594 -9.447 0.527 1.00 0.00 H new ATOM 0 HA GLU A 86 -0.998 -12.093 1.335 1.00 0.00 H new ATOM 0 HB2 GLU A 86 1.345 -10.682 0.009 1.00 0.00 H new ATOM 0 HB3 GLU A 86 1.388 -12.399 0.354 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -0.796 -12.589 -0.995 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -0.520 -10.936 -1.505 1.00 0.00 H new ATOM 1345 N LEU A 87 1.454 -10.508 2.957 1.00 0.00 N ATOM 1346 CA LEU A 87 2.346 -10.545 4.130 1.00 0.00 C ATOM 1347 C LEU A 87 1.564 -10.504 5.459 1.00 0.00 C ATOM 1348 O LEU A 87 1.968 -11.152 6.416 1.00 0.00 O ATOM 1349 CB LEU A 87 3.389 -9.397 4.057 1.00 0.00 C ATOM 1350 CG LEU A 87 4.438 -9.509 2.907 1.00 0.00 C ATOM 1351 CD1 LEU A 87 5.394 -8.299 2.908 1.00 0.00 C ATOM 1352 CD2 LEU A 87 5.220 -10.841 2.990 1.00 0.00 C ATOM 0 H LEU A 87 1.544 -9.661 2.396 1.00 0.00 H new ATOM 0 HA LEU A 87 2.876 -11.497 4.107 1.00 0.00 H new ATOM 0 HB2 LEU A 87 2.856 -8.453 3.947 1.00 0.00 H new ATOM 0 HB3 LEU A 87 3.922 -9.354 5.007 1.00 0.00 H new ATOM 0 HG LEU A 87 3.896 -9.503 1.961 1.00 0.00 H new ATOM 0 HD11 LEU A 87 6.114 -8.404 2.096 1.00 0.00 H new ATOM 0 HD12 LEU A 87 4.821 -7.382 2.769 1.00 0.00 H new ATOM 0 HD13 LEU A 87 5.924 -8.255 3.860 1.00 0.00 H new ATOM 0 HD21 LEU A 87 5.943 -10.890 2.176 1.00 0.00 H new ATOM 0 HD22 LEU A 87 5.744 -10.897 3.944 1.00 0.00 H new ATOM 0 HD23 LEU A 87 4.525 -11.677 2.908 1.00 0.00 H new ATOM 1364 N VAL A 88 0.444 -9.755 5.504 1.00 0.00 N ATOM 1365 CA VAL A 88 -0.402 -9.626 6.712 1.00 0.00 C ATOM 1366 C VAL A 88 -1.081 -10.966 7.041 1.00 0.00 C ATOM 1367 O VAL A 88 -1.053 -11.429 8.193 1.00 0.00 O ATOM 1368 CB VAL A 88 -1.477 -8.483 6.553 1.00 0.00 C ATOM 1369 CG1 VAL A 88 -2.469 -8.455 7.745 1.00 0.00 C ATOM 1370 CG2 VAL A 88 -0.801 -7.101 6.388 1.00 0.00 C ATOM 0 H VAL A 88 0.099 -9.222 4.706 1.00 0.00 H new ATOM 0 HA VAL A 88 0.249 -9.350 7.542 1.00 0.00 H new ATOM 0 HB VAL A 88 -2.045 -8.704 5.649 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -3.193 -7.654 7.597 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -2.992 -9.410 7.806 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -1.920 -8.282 8.671 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -1.566 -6.332 6.280 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -0.192 -6.887 7.266 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -0.168 -7.109 5.501 1.00 0.00 H new ATOM 1380 N ALA A 89 -1.662 -11.588 6.011 1.00 0.00 N ATOM 1381 CA ALA A 89 -2.305 -12.904 6.134 1.00 0.00 C ATOM 1382 C ALA A 89 -1.256 -13.999 6.440 1.00 0.00 C ATOM 1383 O ALA A 89 -1.546 -14.964 7.155 1.00 0.00 O ATOM 1384 CB ALA A 89 -3.090 -13.220 4.856 1.00 0.00 C ATOM 0 H ALA A 89 -1.701 -11.197 5.070 1.00 0.00 H new ATOM 0 HA ALA A 89 -3.005 -12.882 6.969 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -3.565 -14.197 4.953 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -3.855 -12.459 4.701 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -2.410 -13.230 4.004 1.00 0.00 H new ATOM 1390 N ALA A 90 -0.032 -13.811 5.905 1.00 0.00 N ATOM 1391 CA ALA A 90 1.090 -14.739 6.102 1.00 0.00 C ATOM 1392 C ALA A 90 1.581 -14.726 7.560 1.00 0.00 C ATOM 1393 O ALA A 90 1.726 -15.777 8.167 1.00 0.00 O ATOM 1394 CB ALA A 90 2.236 -14.391 5.140 1.00 0.00 C ATOM 0 H ALA A 90 0.202 -13.007 5.323 1.00 0.00 H new ATOM 0 HA ALA A 90 0.739 -15.748 5.884 1.00 0.00 H new ATOM 0 HB1 ALA A 90 3.063 -15.084 5.293 1.00 0.00 H new ATOM 0 HB2 ALA A 90 1.884 -14.468 4.111 1.00 0.00 H new ATOM 0 HB3 ALA A 90 2.575 -13.373 5.332 1.00 0.00 H new ATOM 1400 N LYS A 91 1.768 -13.513 8.122 1.00 0.00 N ATOM 1401 CA LYS A 91 2.348 -13.329 9.476 1.00 0.00 C ATOM 1402 C LYS A 91 1.290 -13.584 10.556 1.00 0.00 C ATOM 1403 O LYS A 91 1.629 -13.921 11.701 1.00 0.00 O ATOM 1404 CB LYS A 91 2.979 -11.906 9.617 1.00 0.00 C ATOM 1405 CG LYS A 91 2.006 -10.703 9.477 1.00 0.00 C ATOM 1406 CD LYS A 91 1.286 -10.267 10.779 1.00 0.00 C ATOM 1407 CE LYS A 91 0.231 -9.179 10.515 1.00 0.00 C ATOM 1408 NZ LYS A 91 -0.553 -8.838 11.723 1.00 0.00 N ATOM 0 H LYS A 91 1.525 -12.638 7.657 1.00 0.00 H new ATOM 0 HA LYS A 91 3.145 -14.059 9.614 1.00 0.00 H new ATOM 0 HB2 LYS A 91 3.464 -11.842 10.591 1.00 0.00 H new ATOM 0 HB3 LYS A 91 3.761 -11.803 8.865 1.00 0.00 H new ATOM 0 HG2 LYS A 91 2.564 -9.851 9.089 1.00 0.00 H new ATOM 0 HG3 LYS A 91 1.251 -10.955 8.733 1.00 0.00 H new ATOM 0 HD2 LYS A 91 0.808 -11.133 11.237 1.00 0.00 H new ATOM 0 HD3 LYS A 91 2.021 -9.894 11.493 1.00 0.00 H new ATOM 0 HE2 LYS A 91 0.726 -8.282 10.143 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -0.446 -9.518 9.731 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -1.248 -8.101 11.489 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -1.049 -9.685 12.066 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 0.087 -8.488 12.464 1.00 0.00 H new ATOM 1422 N GLY A 92 0.008 -13.411 10.171 1.00 0.00 N ATOM 1423 CA GLY A 92 -1.122 -13.598 11.081 1.00 0.00 C ATOM 1424 C GLY A 92 -1.291 -15.050 11.501 1.00 0.00 C ATOM 1425 O GLY A 92 -1.790 -15.339 12.593 1.00 0.00 O ATOM 0 H GLY A 92 -0.263 -13.140 9.226 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -0.978 -12.980 11.967 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -2.036 -13.253 10.597 1.00 0.00 H new ATOM 1429 N ALA A 93 -0.864 -15.960 10.620 1.00 0.00 N ATOM 1430 CA ALA A 93 -0.861 -17.405 10.875 1.00 0.00 C ATOM 1431 C ALA A 93 0.577 -17.876 11.176 1.00 0.00 C ATOM 1432 O ALA A 93 0.880 -18.327 12.286 1.00 0.00 O ATOM 1433 CB ALA A 93 -1.447 -18.145 9.664 1.00 0.00 C ATOM 0 H ALA A 93 -0.506 -15.711 9.698 1.00 0.00 H new ATOM 0 HA ALA A 93 -1.481 -17.628 11.743 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -1.443 -19.218 9.857 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -2.470 -17.810 9.493 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -0.844 -17.933 8.781 1.00 0.00 H new ATOM 1439 N LEU A 94 1.450 -17.739 10.166 1.00 0.00 N ATOM 1440 CA LEU A 94 2.861 -18.161 10.225 1.00 0.00 C ATOM 1441 C LEU A 94 3.744 -16.898 10.321 1.00 0.00 C ATOM 1442 O LEU A 94 4.225 -16.364 9.313 1.00 0.00 O ATOM 1443 CB LEU A 94 3.188 -19.033 8.966 1.00 0.00 C ATOM 1444 CG LEU A 94 4.431 -19.992 9.029 1.00 0.00 C ATOM 1445 CD1 LEU A 94 4.382 -21.001 7.862 1.00 0.00 C ATOM 1446 CD2 LEU A 94 5.777 -19.223 9.021 1.00 0.00 C ATOM 0 H LEU A 94 1.193 -17.325 9.270 1.00 0.00 H new ATOM 0 HA LEU A 94 3.059 -18.776 11.103 1.00 0.00 H new ATOM 0 HB2 LEU A 94 2.310 -19.640 8.744 1.00 0.00 H new ATOM 0 HB3 LEU A 94 3.330 -18.358 8.122 1.00 0.00 H new ATOM 0 HG LEU A 94 4.377 -20.527 9.977 1.00 0.00 H new ATOM 0 HD11 LEU A 94 5.248 -21.661 7.915 1.00 0.00 H new ATOM 0 HD12 LEU A 94 3.470 -21.593 7.931 1.00 0.00 H new ATOM 0 HD13 LEU A 94 4.394 -20.462 6.915 1.00 0.00 H new ATOM 0 HD21 LEU A 94 6.602 -19.934 9.066 1.00 0.00 H new ATOM 0 HD22 LEU A 94 5.854 -18.634 8.107 1.00 0.00 H new ATOM 0 HD23 LEU A 94 5.822 -18.559 9.885 1.00 0.00 H new ATOM 1458 N GLU A 95 3.867 -16.385 11.547 1.00 0.00 N ATOM 1459 CA GLU A 95 4.735 -15.237 11.870 1.00 0.00 C ATOM 1460 C GLU A 95 6.212 -15.586 11.591 1.00 0.00 C ATOM 1461 O GLU A 95 6.787 -16.452 12.257 1.00 0.00 O ATOM 1462 CB GLU A 95 4.495 -14.819 13.348 1.00 0.00 C ATOM 1463 CG GLU A 95 4.508 -15.990 14.358 1.00 0.00 C ATOM 1464 CD GLU A 95 4.122 -15.573 15.778 1.00 0.00 C ATOM 1465 OE1 GLU A 95 4.977 -15.013 16.487 1.00 0.00 O ATOM 1466 OE2 GLU A 95 2.969 -15.813 16.190 1.00 0.00 O ATOM 0 H GLU A 95 3.365 -16.754 12.355 1.00 0.00 H new ATOM 0 HA GLU A 95 4.487 -14.387 11.234 1.00 0.00 H new ATOM 0 HB2 GLU A 95 5.260 -14.099 13.637 1.00 0.00 H new ATOM 0 HB3 GLU A 95 3.534 -14.308 13.416 1.00 0.00 H new ATOM 0 HG2 GLU A 95 3.821 -16.763 14.015 1.00 0.00 H new ATOM 0 HG3 GLU A 95 5.504 -16.434 14.376 1.00 0.00 H new ATOM 1473 N HIS A 96 6.802 -14.938 10.570 1.00 0.00 N ATOM 1474 CA HIS A 96 8.141 -15.294 10.060 1.00 0.00 C ATOM 1475 C HIS A 96 9.055 -14.055 9.986 1.00 0.00 C ATOM 1476 O HIS A 96 8.684 -13.024 9.403 1.00 0.00 O ATOM 1477 CB HIS A 96 8.025 -15.984 8.664 1.00 0.00 C ATOM 1478 CG HIS A 96 7.439 -15.115 7.575 1.00 0.00 C ATOM 1479 ND1 HIS A 96 6.082 -14.930 7.402 1.00 0.00 N ATOM 1480 CD2 HIS A 96 8.037 -14.376 6.606 1.00 0.00 C ATOM 1481 CE1 HIS A 96 5.875 -14.100 6.397 1.00 0.00 C ATOM 1482 NE2 HIS A 96 7.044 -13.752 5.899 1.00 0.00 N ATOM 0 H HIS A 96 6.368 -14.157 10.077 1.00 0.00 H new ATOM 0 HA HIS A 96 8.595 -15.999 10.757 1.00 0.00 H new ATOM 0 HB2 HIS A 96 9.017 -16.313 8.353 1.00 0.00 H new ATOM 0 HB3 HIS A 96 7.410 -16.878 8.766 1.00 0.00 H new ATOM 0 HD1 HIS A 96 5.352 -15.367 7.964 1.00 0.00 H new ATOM 0 HD2 HIS A 96 9.099 -14.295 6.426 1.00 0.00 H new ATOM 0 HE1 HIS A 96 4.912 -13.763 6.043 1.00 0.00 H new ATOM 1491 N HIS A 97 10.213 -14.152 10.663 1.00 0.00 N ATOM 1492 CA HIS A 97 11.389 -13.267 10.475 1.00 0.00 C ATOM 1493 C HIS A 97 11.130 -11.774 10.854 1.00 0.00 C ATOM 1494 O HIS A 97 11.996 -10.920 10.626 1.00 0.00 O ATOM 1495 CB HIS A 97 11.929 -13.413 9.014 1.00 0.00 C ATOM 1496 CG HIS A 97 13.349 -12.943 8.814 1.00 0.00 C ATOM 1497 ND1 HIS A 97 13.722 -12.050 7.837 1.00 0.00 N ATOM 1498 CD2 HIS A 97 14.488 -13.273 9.469 1.00 0.00 C ATOM 1499 CE1 HIS A 97 15.026 -11.854 7.895 1.00 0.00 C ATOM 1500 NE2 HIS A 97 15.512 -12.584 8.877 1.00 0.00 N ATOM 0 H HIS A 97 10.366 -14.865 11.376 1.00 0.00 H new ATOM 0 HA HIS A 97 12.153 -13.598 11.178 1.00 0.00 H new ATOM 0 HB2 HIS A 97 11.863 -14.461 8.720 1.00 0.00 H new ATOM 0 HB3 HIS A 97 11.278 -12.852 8.343 1.00 0.00 H new ATOM 0 HD2 HIS A 97 14.572 -13.953 10.303 1.00 0.00 H new ATOM 0 HE1 HIS A 97 15.597 -11.205 7.247 1.00 0.00 H new ATOM 0 HE2 HIS A 97 16.493 -12.629 9.152 1.00 0.00 H new ATOM 1509 N HIS A 98 9.960 -11.481 11.465 1.00 0.00 N ATOM 1510 CA HIS A 98 9.576 -10.117 11.884 1.00 0.00 C ATOM 1511 C HIS A 98 8.297 -10.148 12.722 1.00 0.00 C ATOM 1512 O HIS A 98 7.367 -10.904 12.427 1.00 0.00 O ATOM 1513 CB HIS A 98 9.355 -9.181 10.668 1.00 0.00 C ATOM 1514 CG HIS A 98 8.971 -7.756 11.008 1.00 0.00 C ATOM 1515 ND1 HIS A 98 9.880 -6.810 11.410 1.00 0.00 N ATOM 1516 CD2 HIS A 98 7.774 -7.116 10.959 1.00 0.00 C ATOM 1517 CE1 HIS A 98 9.267 -5.661 11.592 1.00 0.00 C ATOM 1518 NE2 HIS A 98 7.985 -5.809 11.324 1.00 0.00 N ATOM 0 H HIS A 98 9.255 -12.186 11.681 1.00 0.00 H new ATOM 0 HA HIS A 98 10.401 -9.727 12.481 1.00 0.00 H new ATOM 0 HB2 HIS A 98 10.269 -9.162 10.075 1.00 0.00 H new ATOM 0 HB3 HIS A 98 8.575 -9.609 10.038 1.00 0.00 H new ATOM 0 HD2 HIS A 98 6.827 -7.556 10.683 1.00 0.00 H new ATOM 0 HE1 HIS A 98 9.739 -4.743 11.910 1.00 0.00 H new ATOM 0 HE2 HIS A 98 7.274 -5.080 11.378 1.00 0.00 H new ATOM 1527 N HIS A 99 8.274 -9.298 13.760 1.00 0.00 N ATOM 1528 CA HIS A 99 7.088 -9.037 14.596 1.00 0.00 C ATOM 1529 C HIS A 99 6.927 -7.515 14.796 1.00 0.00 C ATOM 1530 O HIS A 99 7.823 -6.738 14.429 1.00 0.00 O ATOM 1531 CB HIS A 99 7.231 -9.741 15.969 1.00 0.00 C ATOM 1532 CG HIS A 99 7.363 -11.243 15.902 1.00 0.00 C ATOM 1533 ND1 HIS A 99 8.373 -11.937 16.530 1.00 0.00 N ATOM 1534 CD2 HIS A 99 6.616 -12.174 15.261 1.00 0.00 C ATOM 1535 CE1 HIS A 99 8.239 -13.222 16.283 1.00 0.00 C ATOM 1536 NE2 HIS A 99 7.181 -13.398 15.517 1.00 0.00 N ATOM 0 H HIS A 99 9.093 -8.762 14.049 1.00 0.00 H new ATOM 0 HA HIS A 99 6.204 -9.433 14.096 1.00 0.00 H new ATOM 0 HB2 HIS A 99 8.105 -9.336 16.479 1.00 0.00 H new ATOM 0 HB3 HIS A 99 6.363 -9.494 16.580 1.00 0.00 H new ATOM 0 HD2 HIS A 99 5.738 -11.987 14.660 1.00 0.00 H new ATOM 0 HE1 HIS A 99 8.889 -14.004 16.648 1.00 0.00 H new ATOM 0 HE2 HIS A 99 6.839 -14.295 15.172 1.00 0.00 H new ATOM 1545 N HIS A 100 5.788 -7.105 15.378 1.00 0.00 N ATOM 1546 CA HIS A 100 5.545 -5.712 15.796 1.00 0.00 C ATOM 1547 C HIS A 100 4.293 -5.665 16.688 1.00 0.00 C ATOM 1548 O HIS A 100 3.167 -5.804 16.196 1.00 0.00 O ATOM 1549 CB HIS A 100 5.388 -4.761 14.575 1.00 0.00 C ATOM 1550 CG HIS A 100 5.218 -3.309 14.939 1.00 0.00 C ATOM 1551 ND1 HIS A 100 4.019 -2.771 15.360 1.00 0.00 N ATOM 1552 CD2 HIS A 100 6.107 -2.290 14.968 1.00 0.00 C ATOM 1553 CE1 HIS A 100 4.182 -1.497 15.641 1.00 0.00 C ATOM 1554 NE2 HIS A 100 5.436 -1.179 15.411 1.00 0.00 N ATOM 0 H HIS A 100 5.007 -7.731 15.573 1.00 0.00 H new ATOM 0 HA HIS A 100 6.410 -5.363 16.359 1.00 0.00 H new ATOM 0 HB2 HIS A 100 6.264 -4.863 13.935 1.00 0.00 H new ATOM 0 HB3 HIS A 100 4.526 -5.080 13.989 1.00 0.00 H new ATOM 0 HD2 HIS A 100 7.150 -2.342 14.694 1.00 0.00 H new ATOM 0 HE1 HIS A 100 3.416 -0.826 16.000 1.00 0.00 H new ATOM 0 HE2 HIS A 100 5.845 -0.254 15.541 1.00 0.00 H new ATOM 1563 N HIS A 101 4.503 -5.506 18.005 1.00 0.00 N ATOM 1564 CA HIS A 101 3.408 -5.355 18.992 1.00 0.00 C ATOM 1565 C HIS A 101 2.976 -3.868 19.108 1.00 0.00 C ATOM 1566 O HIS A 101 3.828 -2.970 18.913 1.00 0.00 O ATOM 1567 CB HIS A 101 3.819 -5.936 20.378 1.00 0.00 C ATOM 1568 CG HIS A 101 4.987 -5.257 21.053 1.00 0.00 C ATOM 1569 ND1 HIS A 101 6.286 -5.691 20.914 1.00 0.00 N ATOM 1570 CD2 HIS A 101 5.046 -4.185 21.887 1.00 0.00 C ATOM 1571 CE1 HIS A 101 7.087 -4.924 21.625 1.00 0.00 C ATOM 1572 NE2 HIS A 101 6.363 -3.999 22.228 1.00 0.00 N ATOM 1573 OXT HIS A 101 1.799 -3.603 19.415 1.00 0.00 O ATOM 0 H HIS A 101 5.434 -5.478 18.421 1.00 0.00 H new ATOM 0 HA HIS A 101 2.550 -5.927 18.639 1.00 0.00 H new ATOM 0 HB2 HIS A 101 2.957 -5.883 21.044 1.00 0.00 H new ATOM 0 HB3 HIS A 101 4.060 -6.992 20.252 1.00 0.00 H new ATOM 0 HD2 HIS A 101 4.210 -3.589 22.220 1.00 0.00 H new ATOM 0 HE1 HIS A 101 8.159 -5.034 21.702 1.00 0.00 H new ATOM 0 HE2 HIS A 101 6.722 -3.269 22.844 1.00 0.00 H new TER 1582 HIS A 101