USER MOD reduce.3.24.130724 H: found=0, std=0, add=785, rem=0, adj=21 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 70 THR OG1 : rot 180:sc= 0.377 USER MOD Set 1.2: A 73 GLN : amide:sc= -2.13! K(o=-1.8!,f=0.68) USER MOD Set 2.1: A 28 HIS : no HD1:sc= -0.0896 K(o=0.028,f=-10!) USER MOD Set 2.2: A 71 THR OG1 : rot 180:sc= 0.118 USER MOD Set 3.1: A 24 THR OG1 : rot -29:sc= 0.91 USER MOD Set 3.2: A 27 SER OG : rot -80:sc= 1.33 USER MOD Single : A 1 MET CE :methyl 159:sc= -0.133 (180deg=-0.624) USER MOD Single : A 1 MET N :NH3+ -113:sc= 0.129 (180deg=-0.00136) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0.323 USER MOD Single : A 4 THR OG1 : rot -150:sc= 0 USER MOD Single : A 10 THR OG1 : rot 79:sc= 1.21 USER MOD Single : A 15 THR OG1 : rot 65:sc= 1.23 USER MOD Single : A 16 CYS SG : rot -163:sc= -1.93! USER MOD Single : A 22 THR OG1 : rot -62:sc= 1.13 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 166:sc= -0.0234 (180deg=-0.246) USER MOD Single : A 59 LYS NZ :NH3+ 134:sc= -0.403 (180deg=-1.95!) USER MOD Single : A 61 THR OG1 : rot 70:sc= 0.467 USER MOD Single : A 62 GLN : amide:sc= -0.751 K(o=-0.75,f=-2.3!) USER MOD Single : A 65 ASN : amide:sc= 0.0486 X(o=0.049,f=-0.086) USER MOD Single : A 68 LYS NZ :NH3+ 151:sc= 0.807 (180deg=0.21) 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= -0.942 K(o=-0.94,f=-4.3!) USER MOD Single : A 91 LYS NZ :NH3+ 162:sc= -0.0972 (180deg=-0.433) USER MOD Single : A 96 HIS : no HD1:sc= -0.34 X(o=-0.34,f=-0.012) USER MOD Single : A 97 HIS : no HD1:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 98 HIS : no HD1:sc= -0.045 X(o=-0.045,f=-0.045) USER MOD Single : A 99 HIS : no HD1:sc= 0 X(o=0,f=-0.0063) USER MOD Single : A 100 HIS : no HE2:sc= -0.0542 K(o=-0.054,f=-1.2) USER MOD Single : A 101 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -15.737 -3.128 4.574 1.00 0.00 N ATOM 2 CA MET A 1 -15.146 -1.891 4.005 1.00 0.00 C ATOM 3 C MET A 1 -13.754 -1.633 4.611 1.00 0.00 C ATOM 4 O MET A 1 -13.296 -2.404 5.471 1.00 0.00 O ATOM 5 CB MET A 1 -16.090 -0.680 4.237 1.00 0.00 C ATOM 6 CG MET A 1 -16.285 -0.273 5.702 1.00 0.00 C ATOM 7 SD MET A 1 -17.480 1.067 5.893 1.00 0.00 S ATOM 8 CE MET A 1 -18.990 0.302 5.290 1.00 0.00 C ATOM 0 H1 MET A 1 -15.810 -3.852 3.831 1.00 0.00 H new ATOM 0 H2 MET A 1 -15.131 -3.481 5.342 1.00 0.00 H new ATOM 0 H3 MET A 1 -16.684 -2.920 4.949 1.00 0.00 H new ATOM 0 HA MET A 1 -15.027 -2.023 2.930 1.00 0.00 H new ATOM 0 HB2 MET A 1 -15.697 0.176 3.688 1.00 0.00 H new ATOM 0 HB3 MET A 1 -17.065 -0.913 3.809 1.00 0.00 H new ATOM 0 HG2 MET A 1 -16.619 -1.138 6.275 1.00 0.00 H new ATOM 0 HG3 MET A 1 -15.327 0.036 6.121 1.00 0.00 H new ATOM 0 HE1 MET A 1 -19.853 0.843 5.679 1.00 0.00 H new ATOM 0 HE2 MET A 1 -19.004 0.333 4.201 1.00 0.00 H new ATOM 0 HE3 MET A 1 -19.031 -0.735 5.624 1.00 0.00 H new ATOM 20 N THR A 2 -13.100 -0.542 4.142 1.00 0.00 N ATOM 21 CA THR A 2 -11.743 -0.142 4.555 1.00 0.00 C ATOM 22 C THR A 2 -10.721 -1.243 4.179 1.00 0.00 C ATOM 23 O THR A 2 -10.407 -2.128 4.984 1.00 0.00 O ATOM 24 CB THR A 2 -11.667 0.219 6.083 1.00 0.00 C ATOM 25 OG1 THR A 2 -12.662 1.199 6.403 1.00 0.00 O ATOM 26 CG2 THR A 2 -10.285 0.759 6.489 1.00 0.00 C ATOM 0 H THR A 2 -13.512 0.091 3.456 1.00 0.00 H new ATOM 0 HA THR A 2 -11.486 0.768 4.012 1.00 0.00 H new ATOM 0 HB THR A 2 -11.845 -0.702 6.638 1.00 0.00 H new ATOM 0 HG1 THR A 2 -12.610 1.418 7.357 1.00 0.00 H new ATOM 0 HG21 THR A 2 -10.284 0.993 7.553 1.00 0.00 H new ATOM 0 HG22 THR A 2 -9.525 0.005 6.283 1.00 0.00 H new ATOM 0 HG23 THR A 2 -10.065 1.661 5.919 1.00 0.00 H new ATOM 34 N SER A 3 -10.258 -1.197 2.920 1.00 0.00 N ATOM 35 CA SER A 3 -9.312 -2.175 2.362 1.00 0.00 C ATOM 36 C SER A 3 -7.877 -1.904 2.853 1.00 0.00 C ATOM 37 O SER A 3 -7.633 -0.946 3.608 1.00 0.00 O ATOM 38 CB SER A 3 -9.385 -2.124 0.810 1.00 0.00 C ATOM 39 OG SER A 3 -9.094 -0.825 0.317 1.00 0.00 O ATOM 0 H SER A 3 -10.532 -0.474 2.255 1.00 0.00 H new ATOM 0 HA SER A 3 -9.587 -3.172 2.705 1.00 0.00 H new ATOM 0 HB2 SER A 3 -8.680 -2.841 0.388 1.00 0.00 H new ATOM 0 HB3 SER A 3 -10.380 -2.424 0.482 1.00 0.00 H new ATOM 0 HG SER A 3 -9.147 -0.827 -0.662 1.00 0.00 H new ATOM 45 N THR A 4 -6.936 -2.766 2.436 1.00 0.00 N ATOM 46 CA THR A 4 -5.505 -2.537 2.660 1.00 0.00 C ATOM 47 C THR A 4 -5.058 -1.289 1.877 1.00 0.00 C ATOM 48 O THR A 4 -4.317 -0.473 2.404 1.00 0.00 O ATOM 49 CB THR A 4 -4.666 -3.781 2.251 1.00 0.00 C ATOM 50 OG1 THR A 4 -5.172 -4.925 2.946 1.00 0.00 O ATOM 51 CG2 THR A 4 -3.175 -3.616 2.569 1.00 0.00 C ATOM 0 H THR A 4 -7.145 -3.632 1.939 1.00 0.00 H new ATOM 0 HA THR A 4 -5.337 -2.370 3.724 1.00 0.00 H new ATOM 0 HB THR A 4 -4.755 -3.903 1.172 1.00 0.00 H new ATOM 0 HG1 THR A 4 -4.444 -5.564 3.098 1.00 0.00 H new ATOM 0 HG21 THR A 4 -2.636 -4.513 2.263 1.00 0.00 H new ATOM 0 HG22 THR A 4 -2.781 -2.755 2.030 1.00 0.00 H new ATOM 0 HG23 THR A 4 -3.046 -3.463 3.641 1.00 0.00 H new ATOM 59 N PHE A 5 -5.579 -1.136 0.634 1.00 0.00 N ATOM 60 CA PHE A 5 -5.370 0.075 -0.192 1.00 0.00 C ATOM 61 C PHE A 5 -5.826 1.337 0.560 1.00 0.00 C ATOM 62 O PHE A 5 -5.089 2.320 0.608 1.00 0.00 O ATOM 63 CB PHE A 5 -6.102 -0.032 -1.575 1.00 0.00 C ATOM 64 CG PHE A 5 -6.293 1.326 -2.281 1.00 0.00 C ATOM 65 CD1 PHE A 5 -5.199 2.094 -2.676 1.00 0.00 C ATOM 66 CD2 PHE A 5 -7.569 1.864 -2.473 1.00 0.00 C ATOM 67 CE1 PHE A 5 -5.372 3.349 -3.226 1.00 0.00 C ATOM 68 CE2 PHE A 5 -7.741 3.117 -3.040 1.00 0.00 C ATOM 69 CZ PHE A 5 -6.641 3.858 -3.410 1.00 0.00 C ATOM 0 H PHE A 5 -6.153 -1.846 0.180 1.00 0.00 H new ATOM 0 HA PHE A 5 -4.300 0.153 -0.387 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -5.533 -0.694 -2.227 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -7.078 -0.494 -1.425 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -4.201 1.702 -2.550 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -8.436 1.293 -2.174 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -4.511 3.934 -3.513 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -8.735 3.511 -3.191 1.00 0.00 H new ATOM 0 HZ PHE A 5 -6.772 4.838 -3.844 1.00 0.00 H new ATOM 79 N ASP A 6 -7.042 1.283 1.122 1.00 0.00 N ATOM 80 CA ASP A 6 -7.648 2.402 1.880 1.00 0.00 C ATOM 81 C ASP A 6 -6.665 2.909 2.957 1.00 0.00 C ATOM 82 O ASP A 6 -6.354 4.102 3.019 1.00 0.00 O ATOM 83 CB ASP A 6 -8.967 1.931 2.542 1.00 0.00 C ATOM 84 CG ASP A 6 -9.747 3.047 3.269 1.00 0.00 C ATOM 85 OD1 ASP A 6 -9.404 3.385 4.429 1.00 0.00 O ATOM 86 OD2 ASP A 6 -10.714 3.586 2.690 1.00 0.00 O ATOM 0 H ASP A 6 -7.641 0.459 1.067 1.00 0.00 H new ATOM 0 HA ASP A 6 -7.866 3.220 1.194 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -9.609 1.495 1.776 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -8.739 1.139 3.256 1.00 0.00 H new ATOM 91 N ARG A 7 -6.138 1.952 3.740 1.00 0.00 N ATOM 92 CA ARG A 7 -5.212 2.230 4.850 1.00 0.00 C ATOM 93 C ARG A 7 -3.821 2.698 4.369 1.00 0.00 C ATOM 94 O ARG A 7 -3.264 3.627 4.950 1.00 0.00 O ATOM 95 CB ARG A 7 -5.083 0.991 5.760 1.00 0.00 C ATOM 96 CG ARG A 7 -6.378 0.587 6.516 1.00 0.00 C ATOM 97 CD ARG A 7 -6.871 1.667 7.513 1.00 0.00 C ATOM 98 NE ARG A 7 -7.562 2.803 6.853 1.00 0.00 N ATOM 99 CZ ARG A 7 -7.658 4.051 7.342 1.00 0.00 C ATOM 100 NH1 ARG A 7 -6.987 4.415 8.429 1.00 0.00 N ATOM 101 NH2 ARG A 7 -8.386 4.948 6.697 1.00 0.00 N ATOM 0 H ARG A 7 -6.344 0.960 3.620 1.00 0.00 H new ATOM 0 HA ARG A 7 -5.638 3.056 5.420 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -4.758 0.146 5.153 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -4.298 1.178 6.492 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -7.166 0.386 5.790 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -6.199 -0.342 7.057 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -7.549 1.206 8.231 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -6.019 2.047 8.077 1.00 0.00 H new ATOM 0 HE ARG A 7 -8.002 2.621 5.951 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -6.387 3.743 8.907 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -7.072 5.367 8.786 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -8.868 4.690 5.836 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -8.465 5.898 7.061 1.00 0.00 H new ATOM 115 N VAL A 8 -3.282 2.067 3.304 1.00 0.00 N ATOM 116 CA VAL A 8 -1.929 2.379 2.773 1.00 0.00 C ATOM 117 C VAL A 8 -1.908 3.787 2.151 1.00 0.00 C ATOM 118 O VAL A 8 -0.967 4.551 2.360 1.00 0.00 O ATOM 119 CB VAL A 8 -1.465 1.303 1.708 1.00 0.00 C ATOM 120 CG1 VAL A 8 -0.177 1.731 0.951 1.00 0.00 C ATOM 121 CG2 VAL A 8 -1.268 -0.073 2.382 1.00 0.00 C ATOM 0 H VAL A 8 -3.765 1.331 2.788 1.00 0.00 H new ATOM 0 HA VAL A 8 -1.229 2.350 3.608 1.00 0.00 H new ATOM 0 HB VAL A 8 -2.258 1.226 0.964 1.00 0.00 H new ATOM 0 HG11 VAL A 8 0.097 0.958 0.233 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -0.359 2.667 0.424 1.00 0.00 H new ATOM 0 HG13 VAL A 8 0.636 1.868 1.664 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -0.949 -0.801 1.636 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -0.507 0.008 3.159 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -2.208 -0.398 2.827 1.00 0.00 H new ATOM 131 N ALA A 9 -2.987 4.113 1.427 1.00 0.00 N ATOM 132 CA ALA A 9 -3.186 5.424 0.787 1.00 0.00 C ATOM 133 C ALA A 9 -3.288 6.521 1.858 1.00 0.00 C ATOM 134 O ALA A 9 -2.781 7.635 1.675 1.00 0.00 O ATOM 135 CB ALA A 9 -4.446 5.409 -0.100 1.00 0.00 C ATOM 0 H ALA A 9 -3.758 3.465 1.266 1.00 0.00 H new ATOM 0 HA ALA A 9 -2.328 5.637 0.150 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -4.576 6.387 -0.564 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -4.336 4.651 -0.875 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -5.319 5.179 0.511 1.00 0.00 H new ATOM 141 N THR A 10 -3.958 6.178 2.989 1.00 0.00 N ATOM 142 CA THR A 10 -4.061 7.059 4.168 1.00 0.00 C ATOM 143 C THR A 10 -2.668 7.314 4.775 1.00 0.00 C ATOM 144 O THR A 10 -2.335 8.455 5.084 1.00 0.00 O ATOM 145 CB THR A 10 -5.053 6.475 5.250 1.00 0.00 C ATOM 146 OG1 THR A 10 -6.362 6.319 4.670 1.00 0.00 O ATOM 147 CG2 THR A 10 -5.178 7.364 6.506 1.00 0.00 C ATOM 0 H THR A 10 -4.438 5.285 3.103 1.00 0.00 H new ATOM 0 HA THR A 10 -4.472 8.012 3.835 1.00 0.00 H new ATOM 0 HB THR A 10 -4.639 5.517 5.564 1.00 0.00 H new ATOM 0 HG1 THR A 10 -6.386 5.500 4.132 1.00 0.00 H new ATOM 0 HG21 THR A 10 -5.874 6.906 7.208 1.00 0.00 H new ATOM 0 HG22 THR A 10 -4.201 7.466 6.978 1.00 0.00 H new ATOM 0 HG23 THR A 10 -5.548 8.349 6.220 1.00 0.00 H new ATOM 155 N ILE A 11 -1.849 6.246 4.902 1.00 0.00 N ATOM 156 CA ILE A 11 -0.456 6.345 5.400 1.00 0.00 C ATOM 157 C ILE A 11 0.389 7.286 4.520 1.00 0.00 C ATOM 158 O ILE A 11 1.078 8.155 5.048 1.00 0.00 O ATOM 159 CB ILE A 11 0.228 4.926 5.495 1.00 0.00 C ATOM 160 CG1 ILE A 11 -0.542 4.021 6.510 1.00 0.00 C ATOM 161 CG2 ILE A 11 1.729 5.026 5.875 1.00 0.00 C ATOM 162 CD1 ILE A 11 -0.080 2.575 6.563 1.00 0.00 C ATOM 0 H ILE A 11 -2.132 5.295 4.664 1.00 0.00 H new ATOM 0 HA ILE A 11 -0.506 6.766 6.404 1.00 0.00 H new ATOM 0 HB ILE A 11 0.179 4.470 4.506 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -0.445 4.454 7.506 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -1.602 4.038 6.257 1.00 0.00 H new ATOM 0 HG21 ILE A 11 2.158 4.025 5.929 1.00 0.00 H new ATOM 0 HG22 ILE A 11 2.258 5.607 5.120 1.00 0.00 H new ATOM 0 HG23 ILE A 11 1.827 5.515 6.844 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -0.675 2.030 7.296 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -0.204 2.117 5.582 1.00 0.00 H new ATOM 0 HD13 ILE A 11 0.971 2.539 6.850 1.00 0.00 H new ATOM 174 N ILE A 12 0.311 7.114 3.181 1.00 0.00 N ATOM 175 CA ILE A 12 1.035 7.973 2.213 1.00 0.00 C ATOM 176 C ILE A 12 0.639 9.449 2.415 1.00 0.00 C ATOM 177 O ILE A 12 1.496 10.339 2.432 1.00 0.00 O ATOM 178 CB ILE A 12 0.754 7.554 0.714 1.00 0.00 C ATOM 179 CG1 ILE A 12 1.179 6.075 0.466 1.00 0.00 C ATOM 180 CG2 ILE A 12 1.457 8.502 -0.301 1.00 0.00 C ATOM 181 CD1 ILE A 12 0.967 5.566 -0.951 1.00 0.00 C ATOM 0 H ILE A 12 -0.250 6.383 2.743 1.00 0.00 H new ATOM 0 HA ILE A 12 2.100 7.842 2.402 1.00 0.00 H new ATOM 0 HB ILE A 12 -0.320 7.643 0.551 1.00 0.00 H new ATOM 0 HG12 ILE A 12 2.234 5.971 0.718 1.00 0.00 H new ATOM 0 HG13 ILE A 12 0.623 5.435 1.151 1.00 0.00 H new ATOM 0 HG21 ILE A 12 1.236 8.176 -1.317 1.00 0.00 H new ATOM 0 HG22 ILE A 12 1.094 9.520 -0.160 1.00 0.00 H new ATOM 0 HG23 ILE A 12 2.534 8.475 -0.138 1.00 0.00 H new ATOM 0 HD11 ILE A 12 1.294 4.528 -1.018 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -0.091 5.630 -1.206 1.00 0.00 H new ATOM 0 HD13 ILE A 12 1.546 6.174 -1.646 1.00 0.00 H new ATOM 193 N ALA A 13 -0.675 9.675 2.590 1.00 0.00 N ATOM 194 CA ALA A 13 -1.243 10.997 2.883 1.00 0.00 C ATOM 195 C ALA A 13 -0.656 11.628 4.165 1.00 0.00 C ATOM 196 O ALA A 13 -0.216 12.783 4.140 1.00 0.00 O ATOM 197 CB ALA A 13 -2.771 10.899 2.973 1.00 0.00 C ATOM 0 H ALA A 13 -1.376 8.937 2.531 1.00 0.00 H new ATOM 0 HA ALA A 13 -0.970 11.659 2.062 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -3.187 11.883 3.191 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -3.169 10.539 2.024 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -3.045 10.206 3.768 1.00 0.00 H new ATOM 203 N GLU A 14 -0.631 10.855 5.271 1.00 0.00 N ATOM 204 CA GLU A 14 -0.124 11.324 6.577 1.00 0.00 C ATOM 205 C GLU A 14 1.395 11.597 6.538 1.00 0.00 C ATOM 206 O GLU A 14 1.891 12.481 7.243 1.00 0.00 O ATOM 207 CB GLU A 14 -0.415 10.281 7.701 1.00 0.00 C ATOM 208 CG GLU A 14 -1.893 9.869 7.874 1.00 0.00 C ATOM 209 CD GLU A 14 -2.863 11.046 8.068 1.00 0.00 C ATOM 210 OE1 GLU A 14 -2.739 11.774 9.078 1.00 0.00 O ATOM 211 OE2 GLU A 14 -3.768 11.236 7.228 1.00 0.00 O ATOM 0 H GLU A 14 -0.961 9.890 5.283 1.00 0.00 H new ATOM 0 HA GLU A 14 -0.647 12.255 6.795 1.00 0.00 H new ATOM 0 HB2 GLU A 14 0.170 9.384 7.498 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -0.058 10.687 8.648 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -2.203 9.299 6.998 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -1.973 9.203 8.733 1.00 0.00 H new ATOM 218 N THR A 15 2.122 10.800 5.735 1.00 0.00 N ATOM 219 CA THR A 15 3.587 10.885 5.616 1.00 0.00 C ATOM 220 C THR A 15 4.004 12.132 4.800 1.00 0.00 C ATOM 221 O THR A 15 4.829 12.937 5.257 1.00 0.00 O ATOM 222 CB THR A 15 4.170 9.583 4.950 1.00 0.00 C ATOM 223 OG1 THR A 15 3.735 8.428 5.689 1.00 0.00 O ATOM 224 CG2 THR A 15 5.709 9.575 4.896 1.00 0.00 C ATOM 0 H THR A 15 1.707 10.076 5.148 1.00 0.00 H new ATOM 0 HA THR A 15 3.998 10.976 6.621 1.00 0.00 H new ATOM 0 HB THR A 15 3.799 9.562 3.925 1.00 0.00 H new ATOM 0 HG1 THR A 15 2.762 8.339 5.614 1.00 0.00 H new ATOM 0 HG21 THR A 15 6.052 8.653 4.427 1.00 0.00 H new ATOM 0 HG22 THR A 15 6.057 10.429 4.315 1.00 0.00 H new ATOM 0 HG23 THR A 15 6.109 9.637 5.908 1.00 0.00 H new ATOM 232 N CYS A 16 3.391 12.293 3.611 1.00 0.00 N ATOM 233 CA CYS A 16 3.804 13.292 2.600 1.00 0.00 C ATOM 234 C CYS A 16 2.969 14.591 2.651 1.00 0.00 C ATOM 235 O CYS A 16 3.198 15.485 1.834 1.00 0.00 O ATOM 236 CB CYS A 16 3.669 12.636 1.206 1.00 0.00 C ATOM 237 SG CYS A 16 4.516 11.049 1.060 1.00 0.00 S ATOM 0 H CYS A 16 2.590 11.731 3.321 1.00 0.00 H new ATOM 0 HA CYS A 16 4.833 13.585 2.810 1.00 0.00 H new ATOM 0 HB2 CYS A 16 2.612 12.494 0.983 1.00 0.00 H new ATOM 0 HB3 CYS A 16 4.065 13.319 0.454 1.00 0.00 H new ATOM 0 HG CYS A 16 4.660 10.748 -0.196 1.00 0.00 H new ATOM 243 N ASP A 17 2.044 14.693 3.638 1.00 0.00 N ATOM 244 CA ASP A 17 1.030 15.781 3.733 1.00 0.00 C ATOM 245 C ASP A 17 0.341 16.053 2.372 1.00 0.00 C ATOM 246 O ASP A 17 0.706 16.994 1.654 1.00 0.00 O ATOM 247 CB ASP A 17 1.647 17.077 4.344 1.00 0.00 C ATOM 248 CG ASP A 17 0.616 18.214 4.551 1.00 0.00 C ATOM 249 OD1 ASP A 17 -0.224 18.097 5.464 1.00 0.00 O ATOM 250 OD2 ASP A 17 0.644 19.223 3.804 1.00 0.00 O ATOM 0 H ASP A 17 1.978 14.017 4.399 1.00 0.00 H new ATOM 0 HA ASP A 17 0.250 15.440 4.413 1.00 0.00 H new ATOM 0 HB2 ASP A 17 2.106 16.834 5.303 1.00 0.00 H new ATOM 0 HB3 ASP A 17 2.443 17.434 3.691 1.00 0.00 H new ATOM 255 N ILE A 18 -0.612 15.176 2.008 1.00 0.00 N ATOM 256 CA ILE A 18 -1.359 15.245 0.726 1.00 0.00 C ATOM 257 C ILE A 18 -2.805 14.706 0.924 1.00 0.00 C ATOM 258 O ILE A 18 -3.015 13.848 1.784 1.00 0.00 O ATOM 259 CB ILE A 18 -0.621 14.448 -0.441 1.00 0.00 C ATOM 260 CG1 ILE A 18 -0.123 13.049 0.049 1.00 0.00 C ATOM 261 CG2 ILE A 18 0.543 15.275 -1.051 1.00 0.00 C ATOM 262 CD1 ILE A 18 0.601 12.214 -0.998 1.00 0.00 C ATOM 0 H ILE A 18 -0.892 14.391 2.596 1.00 0.00 H new ATOM 0 HA ILE A 18 -1.402 16.291 0.423 1.00 0.00 H new ATOM 0 HB ILE A 18 -1.354 14.281 -1.231 1.00 0.00 H new ATOM 0 HG12 ILE A 18 0.545 13.196 0.898 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -0.981 12.483 0.412 1.00 0.00 H new ATOM 0 HG21 ILE A 18 1.022 14.699 -1.843 1.00 0.00 H new ATOM 0 HG22 ILE A 18 0.151 16.205 -1.464 1.00 0.00 H new ATOM 0 HG23 ILE A 18 1.274 15.502 -0.275 1.00 0.00 H new ATOM 0 HD11 ILE A 18 0.905 11.264 -0.559 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -0.066 12.028 -1.840 1.00 0.00 H new ATOM 0 HD13 ILE A 18 1.483 12.752 -1.346 1.00 0.00 H new ATOM 274 N PRO A 19 -3.834 15.247 0.177 1.00 0.00 N ATOM 275 CA PRO A 19 -5.226 14.715 0.211 1.00 0.00 C ATOM 276 C PRO A 19 -5.292 13.259 -0.314 1.00 0.00 C ATOM 277 O PRO A 19 -4.932 12.999 -1.455 1.00 0.00 O ATOM 278 CB PRO A 19 -6.020 15.694 -0.707 1.00 0.00 C ATOM 279 CG PRO A 19 -4.978 16.339 -1.573 1.00 0.00 C ATOM 280 CD PRO A 19 -3.737 16.434 -0.712 1.00 0.00 C ATOM 0 HA PRO A 19 -5.632 14.667 1.221 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -6.759 15.162 -1.307 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -6.561 16.436 -0.120 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -4.790 15.746 -2.468 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -5.301 17.325 -1.906 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -2.829 16.410 -1.314 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -3.716 17.362 -0.140 1.00 0.00 H new ATOM 288 N ARG A 20 -5.793 12.341 0.530 1.00 0.00 N ATOM 289 CA ARG A 20 -5.806 10.883 0.273 1.00 0.00 C ATOM 290 C ARG A 20 -6.689 10.505 -0.937 1.00 0.00 C ATOM 291 O ARG A 20 -6.497 9.447 -1.552 1.00 0.00 O ATOM 292 CB ARG A 20 -6.273 10.147 1.567 1.00 0.00 C ATOM 293 CG ARG A 20 -6.081 8.607 1.572 1.00 0.00 C ATOM 294 CD ARG A 20 -7.316 7.786 1.159 1.00 0.00 C ATOM 295 NE ARG A 20 -8.355 7.771 2.208 1.00 0.00 N ATOM 296 CZ ARG A 20 -9.294 6.819 2.339 1.00 0.00 C ATOM 297 NH1 ARG A 20 -9.368 5.824 1.466 1.00 0.00 N ATOM 298 NH2 ARG A 20 -10.156 6.868 3.341 1.00 0.00 N ATOM 0 H ARG A 20 -6.209 12.592 1.427 1.00 0.00 H new ATOM 0 HA ARG A 20 -4.795 10.568 0.015 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -5.732 10.565 2.416 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -7.330 10.363 1.725 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -5.259 8.358 0.900 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -5.779 8.299 2.573 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -7.735 8.200 0.242 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -7.012 6.763 0.937 1.00 0.00 H new ATOM 0 HE ARG A 20 -8.360 8.538 2.881 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -8.709 5.778 0.689 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -10.084 5.105 1.572 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -10.109 7.630 4.017 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -10.868 6.144 3.437 1.00 0.00 H new ATOM 312 N GLU A 21 -7.609 11.414 -1.305 1.00 0.00 N ATOM 313 CA GLU A 21 -8.598 11.194 -2.376 1.00 0.00 C ATOM 314 C GLU A 21 -7.922 11.262 -3.759 1.00 0.00 C ATOM 315 O GLU A 21 -8.446 10.725 -4.740 1.00 0.00 O ATOM 316 CB GLU A 21 -9.723 12.259 -2.273 1.00 0.00 C ATOM 317 CG GLU A 21 -9.223 13.723 -2.333 1.00 0.00 C ATOM 318 CD GLU A 21 -10.357 14.755 -2.260 1.00 0.00 C ATOM 319 OE1 GLU A 21 -10.738 15.156 -1.133 1.00 0.00 O ATOM 320 OE2 GLU A 21 -10.877 15.164 -3.322 1.00 0.00 O ATOM 0 H GLU A 21 -7.688 12.330 -0.864 1.00 0.00 H new ATOM 0 HA GLU A 21 -9.033 10.201 -2.258 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -10.435 12.097 -3.082 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -10.263 12.110 -1.338 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -8.529 13.897 -1.510 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -8.665 13.871 -3.257 1.00 0.00 H new ATOM 327 N THR A 22 -6.755 11.938 -3.828 1.00 0.00 N ATOM 328 CA THR A 22 -5.989 12.093 -5.071 1.00 0.00 C ATOM 329 C THR A 22 -5.044 10.894 -5.288 1.00 0.00 C ATOM 330 O THR A 22 -4.469 10.741 -6.375 1.00 0.00 O ATOM 331 CB THR A 22 -5.184 13.433 -5.069 1.00 0.00 C ATOM 332 OG1 THR A 22 -4.178 13.403 -4.051 1.00 0.00 O ATOM 333 CG2 THR A 22 -6.102 14.648 -4.835 1.00 0.00 C ATOM 0 H THR A 22 -6.323 12.389 -3.022 1.00 0.00 H new ATOM 0 HA THR A 22 -6.698 12.123 -5.898 1.00 0.00 H new ATOM 0 HB THR A 22 -4.720 13.535 -6.050 1.00 0.00 H new ATOM 0 HG1 THR A 22 -4.604 13.316 -3.173 1.00 0.00 H new ATOM 0 HG21 THR A 22 -5.506 15.561 -4.840 1.00 0.00 H new ATOM 0 HG22 THR A 22 -6.849 14.698 -5.627 1.00 0.00 H new ATOM 0 HG23 THR A 22 -6.601 14.546 -3.871 1.00 0.00 H new ATOM 341 N ILE A 23 -4.893 10.037 -4.247 1.00 0.00 N ATOM 342 CA ILE A 23 -4.118 8.793 -4.334 1.00 0.00 C ATOM 343 C ILE A 23 -5.117 7.687 -4.740 1.00 0.00 C ATOM 344 O ILE A 23 -5.828 7.133 -3.900 1.00 0.00 O ATOM 345 CB ILE A 23 -3.381 8.425 -2.964 1.00 0.00 C ATOM 346 CG1 ILE A 23 -2.269 9.469 -2.562 1.00 0.00 C ATOM 347 CG2 ILE A 23 -2.764 7.007 -3.031 1.00 0.00 C ATOM 348 CD1 ILE A 23 -2.753 10.850 -2.163 1.00 0.00 C ATOM 0 H ILE A 23 -5.308 10.197 -3.329 1.00 0.00 H new ATOM 0 HA ILE A 23 -3.318 8.904 -5.066 1.00 0.00 H new ATOM 0 HB ILE A 23 -4.150 8.454 -2.192 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -1.696 9.055 -1.732 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -1.582 9.577 -3.402 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -2.269 6.781 -2.087 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -3.552 6.276 -3.212 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -2.037 6.965 -3.842 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -1.898 11.476 -1.909 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -3.297 11.299 -2.994 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -3.412 10.769 -1.299 1.00 0.00 H new ATOM 360 N THR A 24 -5.212 7.444 -6.055 1.00 0.00 N ATOM 361 CA THR A 24 -6.119 6.446 -6.647 1.00 0.00 C ATOM 362 C THR A 24 -5.472 5.034 -6.580 1.00 0.00 C ATOM 363 O THR A 24 -4.263 4.938 -6.356 1.00 0.00 O ATOM 364 CB THR A 24 -6.450 6.859 -8.133 1.00 0.00 C ATOM 365 OG1 THR A 24 -5.261 6.863 -8.946 1.00 0.00 O ATOM 366 CG2 THR A 24 -7.112 8.250 -8.195 1.00 0.00 C ATOM 0 H THR A 24 -4.654 7.942 -6.749 1.00 0.00 H new ATOM 0 HA THR A 24 -7.051 6.411 -6.083 1.00 0.00 H new ATOM 0 HB THR A 24 -7.148 6.118 -8.522 1.00 0.00 H new ATOM 0 HG1 THR A 24 -4.484 7.074 -8.388 1.00 0.00 H new ATOM 0 HG21 THR A 24 -7.327 8.505 -9.233 1.00 0.00 H new ATOM 0 HG22 THR A 24 -8.041 8.237 -7.625 1.00 0.00 H new ATOM 0 HG23 THR A 24 -6.437 8.994 -7.772 1.00 0.00 H new ATOM 374 N PRO A 25 -6.248 3.910 -6.767 1.00 0.00 N ATOM 375 CA PRO A 25 -5.670 2.534 -6.752 1.00 0.00 C ATOM 376 C PRO A 25 -4.647 2.292 -7.884 1.00 0.00 C ATOM 377 O PRO A 25 -3.788 1.414 -7.782 1.00 0.00 O ATOM 378 CB PRO A 25 -6.913 1.615 -6.891 1.00 0.00 C ATOM 379 CG PRO A 25 -7.964 2.486 -7.512 1.00 0.00 C ATOM 380 CD PRO A 25 -7.725 3.869 -6.958 1.00 0.00 C ATOM 0 HA PRO A 25 -5.097 2.345 -5.844 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -6.697 0.749 -7.516 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -7.235 1.236 -5.921 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -7.885 2.480 -8.599 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -8.964 2.131 -7.263 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -8.063 4.643 -7.647 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -8.257 4.024 -6.019 1.00 0.00 H new ATOM 388 N GLU A 26 -4.717 3.104 -8.947 1.00 0.00 N ATOM 389 CA GLU A 26 -3.815 2.985 -10.105 1.00 0.00 C ATOM 390 C GLU A 26 -2.786 4.135 -10.106 1.00 0.00 C ATOM 391 O GLU A 26 -2.146 4.404 -11.128 1.00 0.00 O ATOM 392 CB GLU A 26 -4.652 2.938 -11.407 1.00 0.00 C ATOM 393 CG GLU A 26 -5.614 1.727 -11.484 1.00 0.00 C ATOM 394 CD GLU A 26 -6.484 1.732 -12.749 1.00 0.00 C ATOM 395 OE1 GLU A 26 -7.529 2.425 -12.758 1.00 0.00 O ATOM 396 OE2 GLU A 26 -6.125 1.061 -13.741 1.00 0.00 O ATOM 0 H GLU A 26 -5.397 3.860 -9.031 1.00 0.00 H new ATOM 0 HA GLU A 26 -3.248 2.057 -10.041 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -5.232 3.857 -11.489 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -3.977 2.909 -12.262 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -5.033 0.806 -11.453 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -6.259 1.726 -10.606 1.00 0.00 H new ATOM 403 N SER A 27 -2.626 4.799 -8.939 1.00 0.00 N ATOM 404 CA SER A 27 -1.560 5.783 -8.716 1.00 0.00 C ATOM 405 C SER A 27 -0.219 5.067 -8.591 1.00 0.00 C ATOM 406 O SER A 27 -0.051 4.199 -7.726 1.00 0.00 O ATOM 407 CB SER A 27 -1.812 6.619 -7.437 1.00 0.00 C ATOM 408 OG SER A 27 -2.874 7.521 -7.624 1.00 0.00 O ATOM 0 H SER A 27 -3.234 4.663 -8.132 1.00 0.00 H new ATOM 0 HA SER A 27 -1.549 6.461 -9.570 1.00 0.00 H new ATOM 0 HB2 SER A 27 -2.038 5.955 -6.603 1.00 0.00 H new ATOM 0 HB3 SER A 27 -0.908 7.167 -7.173 1.00 0.00 H new ATOM 0 HG SER A 27 -2.553 8.307 -8.114 1.00 0.00 H new ATOM 414 N HIS A 28 0.707 5.405 -9.483 1.00 0.00 N ATOM 415 CA HIS A 28 2.089 4.974 -9.370 1.00 0.00 C ATOM 416 C HIS A 28 2.803 5.956 -8.432 1.00 0.00 C ATOM 417 O HIS A 28 2.779 7.157 -8.691 1.00 0.00 O ATOM 418 CB HIS A 28 2.768 4.950 -10.752 1.00 0.00 C ATOM 419 CG HIS A 28 4.099 4.252 -10.741 1.00 0.00 C ATOM 420 ND1 HIS A 28 5.235 4.845 -10.265 1.00 0.00 N ATOM 421 CD2 HIS A 28 4.399 3.012 -11.146 1.00 0.00 C ATOM 422 CE1 HIS A 28 6.189 3.949 -10.398 1.00 0.00 C ATOM 423 NE2 HIS A 28 5.724 2.819 -10.927 1.00 0.00 N ATOM 0 H HIS A 28 0.517 5.984 -10.301 1.00 0.00 H new ATOM 0 HA HIS A 28 2.139 3.961 -8.970 1.00 0.00 H new ATOM 0 HB2 HIS A 28 2.110 4.454 -11.465 1.00 0.00 H new ATOM 0 HB3 HIS A 28 2.904 5.973 -11.102 1.00 0.00 H new ATOM 0 HD2 HIS A 28 3.711 2.295 -11.570 1.00 0.00 H new ATOM 0 HE1 HIS A 28 7.219 4.110 -10.114 1.00 0.00 H new ATOM 0 HE2 HIS A 28 6.259 1.974 -11.128 1.00 0.00 H new ATOM 431 N ALA A 29 3.379 5.445 -7.337 1.00 0.00 N ATOM 432 CA ALA A 29 4.182 6.213 -6.372 1.00 0.00 C ATOM 433 C ALA A 29 5.110 7.239 -7.043 1.00 0.00 C ATOM 434 O ALA A 29 5.016 8.420 -6.758 1.00 0.00 O ATOM 435 CB ALA A 29 4.997 5.248 -5.490 1.00 0.00 C ATOM 0 H ALA A 29 3.298 4.459 -7.089 1.00 0.00 H new ATOM 0 HA ALA A 29 3.486 6.783 -5.756 1.00 0.00 H new ATOM 0 HB1 ALA A 29 5.590 5.820 -4.777 1.00 0.00 H new ATOM 0 HB2 ALA A 29 4.318 4.587 -4.950 1.00 0.00 H new ATOM 0 HB3 ALA A 29 5.660 4.653 -6.118 1.00 0.00 H new ATOM 441 N ILE A 30 5.891 6.800 -8.035 1.00 0.00 N ATOM 442 CA ILE A 30 6.989 7.610 -8.601 1.00 0.00 C ATOM 443 C ILE A 30 6.483 8.416 -9.827 1.00 0.00 C ATOM 444 O ILE A 30 6.704 9.629 -9.930 1.00 0.00 O ATOM 445 CB ILE A 30 8.195 6.686 -9.018 1.00 0.00 C ATOM 446 CG1 ILE A 30 8.717 5.873 -7.784 1.00 0.00 C ATOM 447 CG2 ILE A 30 9.337 7.492 -9.691 1.00 0.00 C ATOM 448 CD1 ILE A 30 9.800 4.847 -8.106 1.00 0.00 C ATOM 0 H ILE A 30 5.787 5.883 -8.469 1.00 0.00 H new ATOM 0 HA ILE A 30 7.334 8.309 -7.839 1.00 0.00 H new ATOM 0 HB ILE A 30 7.829 5.979 -9.762 1.00 0.00 H new ATOM 0 HG12 ILE A 30 9.107 6.572 -7.044 1.00 0.00 H new ATOM 0 HG13 ILE A 30 7.874 5.358 -7.323 1.00 0.00 H new ATOM 0 HG21 ILE A 30 10.148 6.816 -9.962 1.00 0.00 H new ATOM 0 HG22 ILE A 30 8.957 7.982 -10.588 1.00 0.00 H new ATOM 0 HG23 ILE A 30 9.709 8.245 -8.996 1.00 0.00 H new ATOM 0 HD11 ILE A 30 10.099 4.334 -7.192 1.00 0.00 H new ATOM 0 HD12 ILE A 30 9.412 4.120 -8.820 1.00 0.00 H new ATOM 0 HD13 ILE A 30 10.664 5.353 -8.537 1.00 0.00 H new ATOM 460 N ASP A 31 5.773 7.720 -10.720 1.00 0.00 N ATOM 461 CA ASP A 31 5.340 8.248 -12.034 1.00 0.00 C ATOM 462 C ASP A 31 4.135 9.215 -11.909 1.00 0.00 C ATOM 463 O ASP A 31 4.065 10.221 -12.622 1.00 0.00 O ATOM 464 CB ASP A 31 4.992 7.054 -12.966 1.00 0.00 C ATOM 465 CG ASP A 31 4.364 7.467 -14.313 1.00 0.00 C ATOM 466 OD1 ASP A 31 5.111 7.888 -15.219 1.00 0.00 O ATOM 467 OD2 ASP A 31 3.126 7.350 -14.468 1.00 0.00 O ATOM 0 H ASP A 31 5.474 6.759 -10.556 1.00 0.00 H new ATOM 0 HA ASP A 31 6.159 8.827 -12.460 1.00 0.00 H new ATOM 0 HB2 ASP A 31 5.900 6.483 -13.161 1.00 0.00 H new ATOM 0 HB3 ASP A 31 4.303 6.389 -12.445 1.00 0.00 H new ATOM 472 N ASP A 32 3.200 8.898 -11.002 1.00 0.00 N ATOM 473 CA ASP A 32 1.952 9.674 -10.813 1.00 0.00 C ATOM 474 C ASP A 32 2.090 10.629 -9.615 1.00 0.00 C ATOM 475 O ASP A 32 2.088 11.853 -9.783 1.00 0.00 O ATOM 476 CB ASP A 32 0.753 8.703 -10.618 1.00 0.00 C ATOM 477 CG ASP A 32 -0.593 9.406 -10.337 1.00 0.00 C ATOM 478 OD1 ASP A 32 -1.262 9.838 -11.297 1.00 0.00 O ATOM 479 OD2 ASP A 32 -0.988 9.521 -9.158 1.00 0.00 O ATOM 0 H ASP A 32 3.282 8.097 -10.375 1.00 0.00 H new ATOM 0 HA ASP A 32 1.768 10.277 -11.702 1.00 0.00 H new ATOM 0 HB2 ASP A 32 0.649 8.088 -11.512 1.00 0.00 H new ATOM 0 HB3 ASP A 32 0.977 8.029 -9.792 1.00 0.00 H new ATOM 484 N LEU A 33 2.231 10.052 -8.408 1.00 0.00 N ATOM 485 CA LEU A 33 2.290 10.806 -7.140 1.00 0.00 C ATOM 486 C LEU A 33 3.615 11.590 -6.974 1.00 0.00 C ATOM 487 O LEU A 33 3.713 12.442 -6.080 1.00 0.00 O ATOM 488 CB LEU A 33 2.079 9.835 -5.946 1.00 0.00 C ATOM 489 CG LEU A 33 0.724 9.060 -5.911 1.00 0.00 C ATOM 490 CD1 LEU A 33 0.683 8.060 -4.730 1.00 0.00 C ATOM 491 CD2 LEU A 33 -0.482 10.034 -5.877 1.00 0.00 C ATOM 0 H LEU A 33 2.308 9.043 -8.283 1.00 0.00 H new ATOM 0 HA LEU A 33 1.490 11.546 -7.160 1.00 0.00 H new ATOM 0 HB2 LEU A 33 2.889 9.106 -5.952 1.00 0.00 H new ATOM 0 HB3 LEU A 33 2.170 10.406 -5.022 1.00 0.00 H new ATOM 0 HG LEU A 33 0.647 8.482 -6.832 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -0.272 7.535 -4.731 1.00 0.00 H new ATOM 0 HD12 LEU A 33 1.494 7.339 -4.835 1.00 0.00 H new ATOM 0 HD13 LEU A 33 0.799 8.601 -3.791 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -1.410 9.463 -5.853 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -0.419 10.661 -4.988 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -0.466 10.664 -6.766 1.00 0.00 H new ATOM 503 N GLY A 34 4.619 11.288 -7.831 1.00 0.00 N ATOM 504 CA GLY A 34 5.894 12.031 -7.861 1.00 0.00 C ATOM 505 C GLY A 34 6.786 11.793 -6.647 1.00 0.00 C ATOM 506 O GLY A 34 7.648 12.610 -6.348 1.00 0.00 O ATOM 0 H GLY A 34 4.566 10.531 -8.512 1.00 0.00 H new ATOM 0 HA2 GLY A 34 6.443 11.753 -8.761 1.00 0.00 H new ATOM 0 HA3 GLY A 34 5.679 13.097 -7.936 1.00 0.00 H new ATOM 510 N ILE A 35 6.607 10.644 -5.989 1.00 0.00 N ATOM 511 CA ILE A 35 7.304 10.280 -4.742 1.00 0.00 C ATOM 512 C ILE A 35 8.722 9.803 -5.073 1.00 0.00 C ATOM 513 O ILE A 35 8.893 8.903 -5.907 1.00 0.00 O ATOM 514 CB ILE A 35 6.543 9.133 -3.976 1.00 0.00 C ATOM 515 CG1 ILE A 35 5.069 9.548 -3.657 1.00 0.00 C ATOM 516 CG2 ILE A 35 7.296 8.712 -2.688 1.00 0.00 C ATOM 517 CD1 ILE A 35 4.199 8.451 -3.050 1.00 0.00 C ATOM 0 H ILE A 35 5.961 9.923 -6.311 1.00 0.00 H new ATOM 0 HA ILE A 35 7.338 11.161 -4.102 1.00 0.00 H new ATOM 0 HB ILE A 35 6.511 8.265 -4.635 1.00 0.00 H new ATOM 0 HG12 ILE A 35 5.088 10.395 -2.971 1.00 0.00 H new ATOM 0 HG13 ILE A 35 4.599 9.894 -4.578 1.00 0.00 H new ATOM 0 HG21 ILE A 35 6.742 7.919 -2.185 1.00 0.00 H new ATOM 0 HG22 ILE A 35 8.290 8.350 -2.950 1.00 0.00 H new ATOM 0 HG23 ILE A 35 7.386 9.570 -2.022 1.00 0.00 H new ATOM 0 HD11 ILE A 35 3.198 8.840 -2.867 1.00 0.00 H new ATOM 0 HD12 ILE A 35 4.140 7.609 -3.740 1.00 0.00 H new ATOM 0 HD13 ILE A 35 4.637 8.118 -2.109 1.00 0.00 H new ATOM 529 N ASP A 36 9.730 10.435 -4.450 1.00 0.00 N ATOM 530 CA ASP A 36 11.145 10.031 -4.584 1.00 0.00 C ATOM 531 C ASP A 36 11.402 8.666 -3.889 1.00 0.00 C ATOM 532 O ASP A 36 10.672 8.287 -2.972 1.00 0.00 O ATOM 533 CB ASP A 36 12.065 11.139 -3.986 1.00 0.00 C ATOM 534 CG ASP A 36 13.513 11.035 -4.492 1.00 0.00 C ATOM 535 OD1 ASP A 36 14.288 10.220 -3.956 1.00 0.00 O ATOM 536 OD2 ASP A 36 13.871 11.735 -5.462 1.00 0.00 O ATOM 0 H ASP A 36 9.590 11.240 -3.839 1.00 0.00 H new ATOM 0 HA ASP A 36 11.377 9.910 -5.642 1.00 0.00 H new ATOM 0 HB2 ASP A 36 11.663 12.119 -4.243 1.00 0.00 H new ATOM 0 HB3 ASP A 36 12.057 11.066 -2.898 1.00 0.00 H new ATOM 541 N SER A 37 12.460 7.956 -4.333 1.00 0.00 N ATOM 542 CA SER A 37 12.831 6.621 -3.816 1.00 0.00 C ATOM 543 C SER A 37 13.223 6.671 -2.323 1.00 0.00 C ATOM 544 O SER A 37 12.805 5.804 -1.537 1.00 0.00 O ATOM 545 CB SER A 37 13.989 6.035 -4.655 1.00 0.00 C ATOM 546 OG SER A 37 13.622 5.931 -6.023 1.00 0.00 O ATOM 0 H SER A 37 13.085 8.294 -5.065 1.00 0.00 H new ATOM 0 HA SER A 37 11.957 5.975 -3.902 1.00 0.00 H new ATOM 0 HB2 SER A 37 14.870 6.669 -4.558 1.00 0.00 H new ATOM 0 HB3 SER A 37 14.260 5.051 -4.271 1.00 0.00 H new ATOM 0 HG SER A 37 14.370 5.560 -6.535 1.00 0.00 H new ATOM 552 N LEU A 38 13.982 7.722 -1.925 1.00 0.00 N ATOM 553 CA LEU A 38 14.441 7.882 -0.522 1.00 0.00 C ATOM 554 C LEU A 38 13.257 8.262 0.379 1.00 0.00 C ATOM 555 O LEU A 38 13.232 7.931 1.562 1.00 0.00 O ATOM 556 CB LEU A 38 15.621 8.911 -0.411 1.00 0.00 C ATOM 557 CG LEU A 38 15.372 10.406 -0.878 1.00 0.00 C ATOM 558 CD1 LEU A 38 14.683 11.283 0.202 1.00 0.00 C ATOM 559 CD2 LEU A 38 16.683 11.064 -1.378 1.00 0.00 C ATOM 0 H LEU A 38 14.288 8.467 -2.551 1.00 0.00 H new ATOM 0 HA LEU A 38 14.836 6.926 -0.177 1.00 0.00 H new ATOM 0 HB2 LEU A 38 15.939 8.939 0.631 1.00 0.00 H new ATOM 0 HB3 LEU A 38 16.458 8.519 -0.989 1.00 0.00 H new ATOM 0 HG LEU A 38 14.673 10.347 -1.712 1.00 0.00 H new ATOM 0 HD11 LEU A 38 14.543 12.293 -0.184 1.00 0.00 H new ATOM 0 HD12 LEU A 38 13.714 10.854 0.455 1.00 0.00 H new ATOM 0 HD13 LEU A 38 15.308 11.319 1.094 1.00 0.00 H new ATOM 0 HD21 LEU A 38 16.480 12.088 -1.691 1.00 0.00 H new ATOM 0 HD22 LEU A 38 17.417 11.070 -0.573 1.00 0.00 H new ATOM 0 HD23 LEU A 38 17.075 10.497 -2.223 1.00 0.00 H new ATOM 571 N ASP A 39 12.276 8.945 -0.231 1.00 0.00 N ATOM 572 CA ASP A 39 11.045 9.401 0.438 1.00 0.00 C ATOM 573 C ASP A 39 10.089 8.219 0.647 1.00 0.00 C ATOM 574 O ASP A 39 9.406 8.128 1.668 1.00 0.00 O ATOM 575 CB ASP A 39 10.358 10.493 -0.424 1.00 0.00 C ATOM 576 CG ASP A 39 9.156 11.159 0.271 1.00 0.00 C ATOM 577 OD1 ASP A 39 9.367 12.165 0.981 1.00 0.00 O ATOM 578 OD2 ASP A 39 7.999 10.702 0.106 1.00 0.00 O ATOM 0 H ASP A 39 12.315 9.200 -1.218 1.00 0.00 H new ATOM 0 HA ASP A 39 11.302 9.820 1.411 1.00 0.00 H new ATOM 0 HB2 ASP A 39 11.091 11.259 -0.678 1.00 0.00 H new ATOM 0 HB3 ASP A 39 10.025 10.048 -1.362 1.00 0.00 H new ATOM 583 N PHE A 40 10.062 7.307 -0.341 1.00 0.00 N ATOM 584 CA PHE A 40 9.195 6.120 -0.319 1.00 0.00 C ATOM 585 C PHE A 40 9.691 5.108 0.737 1.00 0.00 C ATOM 586 O PHE A 40 8.923 4.261 1.202 1.00 0.00 O ATOM 587 CB PHE A 40 9.136 5.473 -1.728 1.00 0.00 C ATOM 588 CG PHE A 40 8.005 4.459 -1.902 1.00 0.00 C ATOM 589 CD1 PHE A 40 6.678 4.886 -1.920 1.00 0.00 C ATOM 590 CD2 PHE A 40 8.256 3.091 -2.028 1.00 0.00 C ATOM 591 CE1 PHE A 40 5.644 3.986 -2.063 1.00 0.00 C ATOM 592 CE2 PHE A 40 7.215 2.192 -2.176 1.00 0.00 C ATOM 593 CZ PHE A 40 5.912 2.638 -2.189 1.00 0.00 C ATOM 0 H PHE A 40 10.642 7.374 -1.177 1.00 0.00 H new ATOM 0 HA PHE A 40 8.186 6.426 -0.042 1.00 0.00 H new ATOM 0 HB2 PHE A 40 9.022 6.260 -2.473 1.00 0.00 H new ATOM 0 HB3 PHE A 40 10.087 4.979 -1.929 1.00 0.00 H new ATOM 0 HD1 PHE A 40 6.457 5.938 -1.820 1.00 0.00 H new ATOM 0 HD2 PHE A 40 9.274 2.731 -2.010 1.00 0.00 H new ATOM 0 HE1 PHE A 40 4.622 4.336 -2.076 1.00 0.00 H new ATOM 0 HE2 PHE A 40 7.425 1.138 -2.282 1.00 0.00 H new ATOM 0 HZ PHE A 40 5.101 1.933 -2.298 1.00 0.00 H new ATOM 603 N LEU A 41 10.995 5.196 1.080 1.00 0.00 N ATOM 604 CA LEU A 41 11.581 4.468 2.228 1.00 0.00 C ATOM 605 C LEU A 41 10.906 4.885 3.554 1.00 0.00 C ATOM 606 O LEU A 41 10.633 4.033 4.398 1.00 0.00 O ATOM 607 CB LEU A 41 13.111 4.713 2.314 1.00 0.00 C ATOM 608 CG LEU A 41 13.955 4.176 1.120 1.00 0.00 C ATOM 609 CD1 LEU A 41 15.453 4.520 1.282 1.00 0.00 C ATOM 610 CD2 LEU A 41 13.743 2.664 0.935 1.00 0.00 C ATOM 0 H LEU A 41 11.668 5.770 0.572 1.00 0.00 H new ATOM 0 HA LEU A 41 11.404 3.404 2.068 1.00 0.00 H new ATOM 0 HB2 LEU A 41 13.283 5.786 2.402 1.00 0.00 H new ATOM 0 HB3 LEU A 41 13.482 4.255 3.231 1.00 0.00 H new ATOM 0 HG LEU A 41 13.607 4.676 0.216 1.00 0.00 H new ATOM 0 HD11 LEU A 41 16.010 4.129 0.430 1.00 0.00 H new ATOM 0 HD12 LEU A 41 15.575 5.602 1.330 1.00 0.00 H new ATOM 0 HD13 LEU A 41 15.832 4.071 2.200 1.00 0.00 H new ATOM 0 HD21 LEU A 41 14.343 2.313 0.095 1.00 0.00 H new ATOM 0 HD22 LEU A 41 14.046 2.140 1.842 1.00 0.00 H new ATOM 0 HD23 LEU A 41 12.690 2.466 0.737 1.00 0.00 H new ATOM 622 N ASP A 42 10.642 6.209 3.712 1.00 0.00 N ATOM 623 CA ASP A 42 9.925 6.769 4.897 1.00 0.00 C ATOM 624 C ASP A 42 8.481 6.271 4.927 1.00 0.00 C ATOM 625 O ASP A 42 7.962 5.906 5.992 1.00 0.00 O ATOM 626 CB ASP A 42 9.919 8.325 4.900 1.00 0.00 C ATOM 627 CG ASP A 42 11.329 8.927 4.948 1.00 0.00 C ATOM 628 OD1 ASP A 42 11.935 9.120 3.879 1.00 0.00 O ATOM 629 OD2 ASP A 42 11.842 9.198 6.056 1.00 0.00 O ATOM 0 H ASP A 42 10.916 6.916 3.030 1.00 0.00 H new ATOM 0 HA ASP A 42 10.462 6.426 5.781 1.00 0.00 H new ATOM 0 HB2 ASP A 42 9.407 8.683 4.007 1.00 0.00 H new ATOM 0 HB3 ASP A 42 9.349 8.680 5.759 1.00 0.00 H new ATOM 634 N ILE A 43 7.838 6.267 3.749 1.00 0.00 N ATOM 635 CA ILE A 43 6.439 5.819 3.600 1.00 0.00 C ATOM 636 C ILE A 43 6.300 4.329 3.971 1.00 0.00 C ATOM 637 O ILE A 43 5.397 3.951 4.714 1.00 0.00 O ATOM 638 CB ILE A 43 5.919 6.056 2.137 1.00 0.00 C ATOM 639 CG1 ILE A 43 6.023 7.567 1.759 1.00 0.00 C ATOM 640 CG2 ILE A 43 4.470 5.529 1.955 1.00 0.00 C ATOM 641 CD1 ILE A 43 5.543 7.910 0.364 1.00 0.00 C ATOM 0 H ILE A 43 8.268 6.572 2.876 1.00 0.00 H new ATOM 0 HA ILE A 43 5.830 6.412 4.283 1.00 0.00 H new ATOM 0 HB ILE A 43 6.555 5.489 1.458 1.00 0.00 H new ATOM 0 HG12 ILE A 43 5.446 8.147 2.479 1.00 0.00 H new ATOM 0 HG13 ILE A 43 7.062 7.880 1.857 1.00 0.00 H new ATOM 0 HG21 ILE A 43 4.143 5.710 0.931 1.00 0.00 H new ATOM 0 HG22 ILE A 43 4.443 4.459 2.161 1.00 0.00 H new ATOM 0 HG23 ILE A 43 3.805 6.048 2.645 1.00 0.00 H new ATOM 0 HD11 ILE A 43 5.654 8.981 0.194 1.00 0.00 H new ATOM 0 HD12 ILE A 43 6.135 7.363 -0.369 1.00 0.00 H new ATOM 0 HD13 ILE A 43 4.494 7.634 0.262 1.00 0.00 H new ATOM 653 N ALA A 44 7.242 3.505 3.469 1.00 0.00 N ATOM 654 CA ALA A 44 7.233 2.042 3.675 1.00 0.00 C ATOM 655 C ALA A 44 7.596 1.699 5.134 1.00 0.00 C ATOM 656 O ALA A 44 7.108 0.726 5.695 1.00 0.00 O ATOM 657 CB ALA A 44 8.205 1.366 2.692 1.00 0.00 C ATOM 0 H ALA A 44 8.029 3.834 2.910 1.00 0.00 H new ATOM 0 HA ALA A 44 6.229 1.664 3.482 1.00 0.00 H new ATOM 0 HB1 ALA A 44 8.192 0.288 2.851 1.00 0.00 H new ATOM 0 HB2 ALA A 44 7.899 1.586 1.669 1.00 0.00 H new ATOM 0 HB3 ALA A 44 9.213 1.745 2.859 1.00 0.00 H new ATOM 663 N PHE A 45 8.478 2.522 5.717 1.00 0.00 N ATOM 664 CA PHE A 45 8.854 2.465 7.151 1.00 0.00 C ATOM 665 C PHE A 45 7.611 2.683 8.044 1.00 0.00 C ATOM 666 O PHE A 45 7.425 2.002 9.064 1.00 0.00 O ATOM 667 CB PHE A 45 9.934 3.555 7.420 1.00 0.00 C ATOM 668 CG PHE A 45 10.746 3.395 8.703 1.00 0.00 C ATOM 669 CD1 PHE A 45 11.696 2.379 8.813 1.00 0.00 C ATOM 670 CD2 PHE A 45 10.598 4.268 9.777 1.00 0.00 C ATOM 671 CE1 PHE A 45 12.464 2.238 9.952 1.00 0.00 C ATOM 672 CE2 PHE A 45 11.367 4.124 10.921 1.00 0.00 C ATOM 673 CZ PHE A 45 12.300 3.109 11.006 1.00 0.00 C ATOM 0 H PHE A 45 8.962 3.260 5.205 1.00 0.00 H new ATOM 0 HA PHE A 45 9.261 1.483 7.393 1.00 0.00 H new ATOM 0 HB2 PHE A 45 10.624 3.569 6.577 1.00 0.00 H new ATOM 0 HB3 PHE A 45 9.441 4.527 7.445 1.00 0.00 H new ATOM 0 HD1 PHE A 45 11.833 1.690 7.992 1.00 0.00 H new ATOM 0 HD2 PHE A 45 9.875 5.068 9.718 1.00 0.00 H new ATOM 0 HE1 PHE A 45 13.194 1.444 10.016 1.00 0.00 H new ATOM 0 HE2 PHE A 45 11.236 4.807 11.748 1.00 0.00 H new ATOM 0 HZ PHE A 45 12.900 2.999 11.897 1.00 0.00 H new ATOM 683 N ALA A 46 6.751 3.618 7.607 1.00 0.00 N ATOM 684 CA ALA A 46 5.488 3.960 8.290 1.00 0.00 C ATOM 685 C ALA A 46 4.436 2.832 8.139 1.00 0.00 C ATOM 686 O ALA A 46 3.674 2.547 9.075 1.00 0.00 O ATOM 687 CB ALA A 46 4.950 5.287 7.731 1.00 0.00 C ATOM 0 H ALA A 46 6.913 4.164 6.761 1.00 0.00 H new ATOM 0 HA ALA A 46 5.688 4.071 9.356 1.00 0.00 H new ATOM 0 HB1 ALA A 46 4.017 5.542 8.234 1.00 0.00 H new ATOM 0 HB2 ALA A 46 5.682 6.077 7.901 1.00 0.00 H new ATOM 0 HB3 ALA A 46 4.769 5.184 6.661 1.00 0.00 H new ATOM 693 N ILE A 47 4.405 2.210 6.946 1.00 0.00 N ATOM 694 CA ILE A 47 3.514 1.065 6.639 1.00 0.00 C ATOM 695 C ILE A 47 3.918 -0.170 7.474 1.00 0.00 C ATOM 696 O ILE A 47 3.062 -0.886 8.002 1.00 0.00 O ATOM 697 CB ILE A 47 3.558 0.709 5.105 1.00 0.00 C ATOM 698 CG1 ILE A 47 3.003 1.885 4.241 1.00 0.00 C ATOM 699 CG2 ILE A 47 2.794 -0.598 4.802 1.00 0.00 C ATOM 700 CD1 ILE A 47 3.196 1.727 2.736 1.00 0.00 C ATOM 0 H ILE A 47 4.997 2.485 6.162 1.00 0.00 H new ATOM 0 HA ILE A 47 2.496 1.355 6.898 1.00 0.00 H new ATOM 0 HB ILE A 47 4.603 0.551 4.838 1.00 0.00 H new ATOM 0 HG12 ILE A 47 1.938 1.995 4.446 1.00 0.00 H new ATOM 0 HG13 ILE A 47 3.486 2.809 4.559 1.00 0.00 H new ATOM 0 HG21 ILE A 47 2.846 -0.811 3.734 1.00 0.00 H new ATOM 0 HG22 ILE A 47 3.244 -1.420 5.358 1.00 0.00 H new ATOM 0 HG23 ILE A 47 1.751 -0.487 5.099 1.00 0.00 H new ATOM 0 HD11 ILE A 47 2.778 2.593 2.223 1.00 0.00 H new ATOM 0 HD12 ILE A 47 4.260 1.651 2.512 1.00 0.00 H new ATOM 0 HD13 ILE A 47 2.688 0.824 2.397 1.00 0.00 H new ATOM 712 N ASP A 48 5.233 -0.381 7.576 1.00 0.00 N ATOM 713 CA ASP A 48 5.856 -1.449 8.388 1.00 0.00 C ATOM 714 C ASP A 48 5.329 -1.412 9.829 1.00 0.00 C ATOM 715 O ASP A 48 4.951 -2.442 10.384 1.00 0.00 O ATOM 716 CB ASP A 48 7.396 -1.252 8.380 1.00 0.00 C ATOM 717 CG ASP A 48 8.181 -2.195 9.318 1.00 0.00 C ATOM 718 OD1 ASP A 48 8.319 -1.892 10.529 1.00 0.00 O ATOM 719 OD2 ASP A 48 8.713 -3.215 8.848 1.00 0.00 O ATOM 0 H ASP A 48 5.917 0.196 7.087 1.00 0.00 H new ATOM 0 HA ASP A 48 5.603 -2.419 7.960 1.00 0.00 H new ATOM 0 HB2 ASP A 48 7.760 -1.392 7.362 1.00 0.00 H new ATOM 0 HB3 ASP A 48 7.617 -0.221 8.658 1.00 0.00 H new ATOM 724 N LYS A 49 5.321 -0.194 10.408 1.00 0.00 N ATOM 725 CA LYS A 49 4.807 0.052 11.772 1.00 0.00 C ATOM 726 C LYS A 49 3.309 -0.287 11.862 1.00 0.00 C ATOM 727 O LYS A 49 2.901 -1.133 12.669 1.00 0.00 O ATOM 728 CB LYS A 49 5.016 1.529 12.189 1.00 0.00 C ATOM 729 CG LYS A 49 6.475 2.000 12.183 1.00 0.00 C ATOM 730 CD LYS A 49 6.604 3.480 12.594 1.00 0.00 C ATOM 731 CE LYS A 49 8.047 3.986 12.550 1.00 0.00 C ATOM 732 NZ LYS A 49 8.132 5.415 12.940 1.00 0.00 N ATOM 0 H LYS A 49 5.670 0.645 9.945 1.00 0.00 H new ATOM 0 HA LYS A 49 5.366 -0.593 12.449 1.00 0.00 H new ATOM 0 HB2 LYS A 49 4.441 2.166 11.517 1.00 0.00 H new ATOM 0 HB3 LYS A 49 4.608 1.670 13.190 1.00 0.00 H new ATOM 0 HG2 LYS A 49 7.059 1.382 12.865 1.00 0.00 H new ATOM 0 HG3 LYS A 49 6.897 1.862 11.187 1.00 0.00 H new ATOM 0 HD2 LYS A 49 5.990 4.091 11.932 1.00 0.00 H new ATOM 0 HD3 LYS A 49 6.210 3.608 13.602 1.00 0.00 H new ATOM 0 HE2 LYS A 49 8.665 3.387 13.219 1.00 0.00 H new ATOM 0 HE3 LYS A 49 8.449 3.857 11.545 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 9.123 5.727 12.900 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 7.562 5.988 12.286 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 7.771 5.533 13.908 1.00 0.00 H new ATOM 746 N ALA A 50 2.522 0.358 10.981 1.00 0.00 N ATOM 747 CA ALA A 50 1.048 0.318 11.007 1.00 0.00 C ATOM 748 C ALA A 50 0.499 -1.122 10.908 1.00 0.00 C ATOM 749 O ALA A 50 -0.285 -1.560 11.760 1.00 0.00 O ATOM 750 CB ALA A 50 0.491 1.188 9.871 1.00 0.00 C ATOM 0 H ALA A 50 2.896 0.928 10.222 1.00 0.00 H new ATOM 0 HA ALA A 50 0.719 0.714 11.968 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -0.598 1.158 9.891 1.00 0.00 H new ATOM 0 HB2 ALA A 50 0.828 2.216 10.001 1.00 0.00 H new ATOM 0 HB3 ALA A 50 0.847 0.808 8.914 1.00 0.00 H new ATOM 756 N PHE A 51 0.963 -1.866 9.896 1.00 0.00 N ATOM 757 CA PHE A 51 0.495 -3.234 9.618 1.00 0.00 C ATOM 758 C PHE A 51 1.298 -4.279 10.413 1.00 0.00 C ATOM 759 O PHE A 51 0.856 -5.422 10.520 1.00 0.00 O ATOM 760 CB PHE A 51 0.566 -3.536 8.100 1.00 0.00 C ATOM 761 CG PHE A 51 -0.460 -2.775 7.260 1.00 0.00 C ATOM 762 CD1 PHE A 51 -1.726 -3.316 7.018 1.00 0.00 C ATOM 763 CD2 PHE A 51 -0.165 -1.528 6.710 1.00 0.00 C ATOM 764 CE1 PHE A 51 -2.654 -2.640 6.255 1.00 0.00 C ATOM 765 CE2 PHE A 51 -1.100 -0.852 5.945 1.00 0.00 C ATOM 766 CZ PHE A 51 -2.341 -1.408 5.717 1.00 0.00 C ATOM 0 H PHE A 51 1.675 -1.537 9.244 1.00 0.00 H new ATOM 0 HA PHE A 51 -0.544 -3.299 9.940 1.00 0.00 H new ATOM 0 HB2 PHE A 51 1.566 -3.294 7.739 1.00 0.00 H new ATOM 0 HB3 PHE A 51 0.423 -4.606 7.947 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -1.981 -4.279 7.435 1.00 0.00 H new ATOM 0 HD2 PHE A 51 0.804 -1.084 6.883 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -3.627 -3.075 6.078 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -0.857 0.113 5.526 1.00 0.00 H new ATOM 0 HZ PHE A 51 -3.068 -0.880 5.118 1.00 0.00 H new ATOM 776 N GLY A 52 2.453 -3.882 10.981 1.00 0.00 N ATOM 777 CA GLY A 52 3.322 -4.808 11.731 1.00 0.00 C ATOM 778 C GLY A 52 3.974 -5.874 10.850 1.00 0.00 C ATOM 779 O GLY A 52 4.252 -6.992 11.305 1.00 0.00 O ATOM 0 H GLY A 52 2.805 -2.926 10.934 1.00 0.00 H new ATOM 0 HA2 GLY A 52 4.102 -4.236 12.234 1.00 0.00 H new ATOM 0 HA3 GLY A 52 2.734 -5.298 12.507 1.00 0.00 H new ATOM 783 N ILE A 53 4.224 -5.510 9.579 1.00 0.00 N ATOM 784 CA ILE A 53 4.729 -6.433 8.543 1.00 0.00 C ATOM 785 C ILE A 53 6.176 -6.107 8.179 1.00 0.00 C ATOM 786 O ILE A 53 6.597 -4.957 8.271 1.00 0.00 O ATOM 787 CB ILE A 53 3.876 -6.373 7.229 1.00 0.00 C ATOM 788 CG1 ILE A 53 3.817 -4.915 6.656 1.00 0.00 C ATOM 789 CG2 ILE A 53 2.458 -6.932 7.459 1.00 0.00 C ATOM 790 CD1 ILE A 53 3.309 -4.843 5.242 1.00 0.00 C ATOM 0 H ILE A 53 4.080 -4.559 9.238 1.00 0.00 H new ATOM 0 HA ILE A 53 4.659 -7.433 8.971 1.00 0.00 H new ATOM 0 HB ILE A 53 4.368 -7.003 6.488 1.00 0.00 H new ATOM 0 HG12 ILE A 53 3.175 -4.308 7.295 1.00 0.00 H new ATOM 0 HG13 ILE A 53 4.814 -4.477 6.698 1.00 0.00 H new ATOM 0 HG21 ILE A 53 1.890 -6.877 6.530 1.00 0.00 H new ATOM 0 HG22 ILE A 53 2.524 -7.971 7.783 1.00 0.00 H new ATOM 0 HG23 ILE A 53 1.955 -6.344 8.227 1.00 0.00 H new ATOM 0 HD11 ILE A 53 3.296 -3.804 4.913 1.00 0.00 H new ATOM 0 HD12 ILE A 53 3.963 -5.422 4.590 1.00 0.00 H new ATOM 0 HD13 ILE A 53 2.299 -5.251 5.197 1.00 0.00 H new ATOM 802 N LYS A 54 6.921 -7.138 7.757 1.00 0.00 N ATOM 803 CA LYS A 54 8.295 -6.991 7.267 1.00 0.00 C ATOM 804 C LYS A 54 8.266 -6.835 5.742 1.00 0.00 C ATOM 805 O LYS A 54 8.150 -7.826 5.004 1.00 0.00 O ATOM 806 CB LYS A 54 9.203 -8.193 7.699 1.00 0.00 C ATOM 807 CG LYS A 54 9.717 -8.144 9.162 1.00 0.00 C ATOM 808 CD LYS A 54 8.597 -8.289 10.221 1.00 0.00 C ATOM 809 CE LYS A 54 9.124 -8.133 11.658 1.00 0.00 C ATOM 810 NZ LYS A 54 9.729 -6.792 11.877 1.00 0.00 N ATOM 0 H LYS A 54 6.584 -8.101 7.747 1.00 0.00 H new ATOM 0 HA LYS A 54 8.734 -6.099 7.715 1.00 0.00 H new ATOM 0 HB2 LYS A 54 8.644 -9.118 7.559 1.00 0.00 H new ATOM 0 HB3 LYS A 54 10.063 -8.236 7.031 1.00 0.00 H new ATOM 0 HG2 LYS A 54 10.448 -8.940 9.308 1.00 0.00 H new ATOM 0 HG3 LYS A 54 10.237 -7.200 9.323 1.00 0.00 H new ATOM 0 HD2 LYS A 54 7.827 -7.540 10.036 1.00 0.00 H new ATOM 0 HD3 LYS A 54 8.124 -9.265 10.114 1.00 0.00 H new ATOM 0 HE2 LYS A 54 8.307 -8.284 12.364 1.00 0.00 H new ATOM 0 HE3 LYS A 54 9.867 -8.905 11.860 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 9.856 -6.631 12.897 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 10.653 -6.746 11.401 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 9.102 -6.060 11.487 1.00 0.00 H new ATOM 824 N LEU A 55 8.291 -5.569 5.298 1.00 0.00 N ATOM 825 CA LEU A 55 8.401 -5.210 3.885 1.00 0.00 C ATOM 826 C LEU A 55 9.836 -5.480 3.384 1.00 0.00 C ATOM 827 O LEU A 55 10.784 -4.880 3.905 1.00 0.00 O ATOM 828 CB LEU A 55 8.048 -3.705 3.691 1.00 0.00 C ATOM 829 CG LEU A 55 6.549 -3.317 3.911 1.00 0.00 C ATOM 830 CD1 LEU A 55 6.356 -1.788 3.966 1.00 0.00 C ATOM 831 CD2 LEU A 55 5.660 -3.936 2.810 1.00 0.00 C ATOM 0 H LEU A 55 8.235 -4.762 5.919 1.00 0.00 H new ATOM 0 HA LEU A 55 7.702 -5.817 3.309 1.00 0.00 H new ATOM 0 HB2 LEU A 55 8.659 -3.118 4.377 1.00 0.00 H new ATOM 0 HB3 LEU A 55 8.333 -3.413 2.680 1.00 0.00 H new ATOM 0 HG LEU A 55 6.245 -3.721 4.876 1.00 0.00 H new ATOM 0 HD11 LEU A 55 5.301 -1.560 4.120 1.00 0.00 H new ATOM 0 HD12 LEU A 55 6.940 -1.377 4.789 1.00 0.00 H new ATOM 0 HD13 LEU A 55 6.690 -1.345 3.028 1.00 0.00 H new ATOM 0 HD21 LEU A 55 4.621 -3.655 2.980 1.00 0.00 H new ATOM 0 HD22 LEU A 55 5.980 -3.569 1.835 1.00 0.00 H new ATOM 0 HD23 LEU A 55 5.751 -5.022 2.837 1.00 0.00 H new ATOM 843 N PRO A 56 10.032 -6.372 2.370 1.00 0.00 N ATOM 844 CA PRO A 56 11.298 -6.462 1.627 1.00 0.00 C ATOM 845 C PRO A 56 11.284 -5.437 0.480 1.00 0.00 C ATOM 846 O PRO A 56 11.411 -5.782 -0.696 1.00 0.00 O ATOM 847 CB PRO A 56 11.292 -7.924 1.141 1.00 0.00 C ATOM 848 CG PRO A 56 9.846 -8.218 0.882 1.00 0.00 C ATOM 849 CD PRO A 56 9.051 -7.374 1.876 1.00 0.00 C ATOM 0 HA PRO A 56 12.197 -6.234 2.199 1.00 0.00 H new ATOM 0 HB2 PRO A 56 11.891 -8.046 0.239 1.00 0.00 H new ATOM 0 HB3 PRO A 56 11.707 -8.596 1.893 1.00 0.00 H new ATOM 0 HG2 PRO A 56 9.576 -7.967 -0.144 1.00 0.00 H new ATOM 0 HG3 PRO A 56 9.635 -9.279 1.017 1.00 0.00 H new ATOM 0 HD2 PRO A 56 8.198 -6.894 1.397 1.00 0.00 H new ATOM 0 HD3 PRO A 56 8.659 -7.982 2.691 1.00 0.00 H new ATOM 857 N LEU A 57 11.113 -4.165 0.876 1.00 0.00 N ATOM 858 CA LEU A 57 11.019 -3.014 -0.038 1.00 0.00 C ATOM 859 C LEU A 57 12.333 -2.897 -0.824 1.00 0.00 C ATOM 860 O LEU A 57 12.320 -2.630 -2.026 1.00 0.00 O ATOM 861 CB LEU A 57 10.700 -1.705 0.781 1.00 0.00 C ATOM 862 CG LEU A 57 10.157 -0.435 0.018 1.00 0.00 C ATOM 863 CD1 LEU A 57 11.220 0.275 -0.848 1.00 0.00 C ATOM 864 CD2 LEU A 57 8.894 -0.781 -0.792 1.00 0.00 C ATOM 0 H LEU A 57 11.035 -3.903 1.859 1.00 0.00 H new ATOM 0 HA LEU A 57 10.206 -3.156 -0.750 1.00 0.00 H new ATOM 0 HB2 LEU A 57 9.969 -1.966 1.546 1.00 0.00 H new ATOM 0 HB3 LEU A 57 11.613 -1.411 1.300 1.00 0.00 H new ATOM 0 HG LEU A 57 9.887 0.290 0.786 1.00 0.00 H new ATOM 0 HD11 LEU A 57 10.771 1.138 -1.341 1.00 0.00 H new ATOM 0 HD12 LEU A 57 12.043 0.606 -0.215 1.00 0.00 H new ATOM 0 HD13 LEU A 57 11.597 -0.417 -1.601 1.00 0.00 H new ATOM 0 HD21 LEU A 57 8.538 0.110 -1.309 1.00 0.00 H new ATOM 0 HD22 LEU A 57 9.131 -1.554 -1.523 1.00 0.00 H new ATOM 0 HD23 LEU A 57 8.118 -1.144 -0.118 1.00 0.00 H new ATOM 876 N GLU A 58 13.460 -3.153 -0.126 1.00 0.00 N ATOM 877 CA GLU A 58 14.798 -3.147 -0.729 1.00 0.00 C ATOM 878 C GLU A 58 14.911 -4.219 -1.826 1.00 0.00 C ATOM 879 O GLU A 58 15.555 -3.992 -2.850 1.00 0.00 O ATOM 880 CB GLU A 58 15.904 -3.301 0.371 1.00 0.00 C ATOM 881 CG GLU A 58 15.679 -4.407 1.450 1.00 0.00 C ATOM 882 CD GLU A 58 15.873 -5.856 0.965 1.00 0.00 C ATOM 883 OE1 GLU A 58 17.007 -6.219 0.588 1.00 0.00 O ATOM 884 OE2 GLU A 58 14.892 -6.633 0.940 1.00 0.00 O ATOM 0 H GLU A 58 13.461 -3.369 0.871 1.00 0.00 H new ATOM 0 HA GLU A 58 14.958 -2.182 -1.211 1.00 0.00 H new ATOM 0 HB2 GLU A 58 16.852 -3.501 -0.127 1.00 0.00 H new ATOM 0 HB3 GLU A 58 16.009 -2.344 0.883 1.00 0.00 H new ATOM 0 HG2 GLU A 58 16.363 -4.225 2.279 1.00 0.00 H new ATOM 0 HG3 GLU A 58 14.667 -4.306 1.843 1.00 0.00 H new ATOM 891 N LYS A 59 14.244 -5.373 -1.604 1.00 0.00 N ATOM 892 CA LYS A 59 14.230 -6.494 -2.560 1.00 0.00 C ATOM 893 C LYS A 59 13.434 -6.106 -3.803 1.00 0.00 C ATOM 894 O LYS A 59 13.929 -6.233 -4.908 1.00 0.00 O ATOM 895 CB LYS A 59 13.611 -7.789 -1.940 1.00 0.00 C ATOM 896 CG LYS A 59 13.800 -9.082 -2.792 1.00 0.00 C ATOM 897 CD LYS A 59 14.943 -10.029 -2.298 1.00 0.00 C ATOM 898 CE LYS A 59 16.328 -9.370 -2.106 1.00 0.00 C ATOM 899 NZ LYS A 59 16.447 -8.663 -0.801 1.00 0.00 N ATOM 0 H LYS A 59 13.702 -5.550 -0.758 1.00 0.00 H new ATOM 0 HA LYS A 59 15.266 -6.707 -2.824 1.00 0.00 H new ATOM 0 HB2 LYS A 59 14.054 -7.951 -0.957 1.00 0.00 H new ATOM 0 HB3 LYS A 59 12.544 -7.626 -1.786 1.00 0.00 H new ATOM 0 HG2 LYS A 59 12.863 -9.638 -2.797 1.00 0.00 H new ATOM 0 HG3 LYS A 59 14.005 -8.795 -3.823 1.00 0.00 H new ATOM 0 HD2 LYS A 59 14.638 -10.472 -1.350 1.00 0.00 H new ATOM 0 HD3 LYS A 59 15.046 -10.846 -3.012 1.00 0.00 H new ATOM 0 HE2 LYS A 59 17.103 -10.134 -2.174 1.00 0.00 H new ATOM 0 HE3 LYS A 59 16.506 -8.663 -2.916 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 17.353 -8.910 -0.354 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 16.407 -7.636 -0.958 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 15.664 -8.949 -0.179 1.00 0.00 H new ATOM 913 N TRP A 60 12.209 -5.605 -3.580 1.00 0.00 N ATOM 914 CA TRP A 60 11.275 -5.195 -4.646 1.00 0.00 C ATOM 915 C TRP A 60 11.916 -4.162 -5.584 1.00 0.00 C ATOM 916 O TRP A 60 11.892 -4.321 -6.808 1.00 0.00 O ATOM 917 CB TRP A 60 9.989 -4.609 -4.015 1.00 0.00 C ATOM 918 CG TRP A 60 9.167 -5.601 -3.229 1.00 0.00 C ATOM 919 CD1 TRP A 60 9.189 -6.963 -3.326 1.00 0.00 C ATOM 920 CD2 TRP A 60 8.170 -5.289 -2.253 1.00 0.00 C ATOM 921 NE1 TRP A 60 8.290 -7.511 -2.453 1.00 0.00 N ATOM 922 CE2 TRP A 60 7.650 -6.504 -1.788 1.00 0.00 C ATOM 923 CE3 TRP A 60 7.678 -4.098 -1.722 1.00 0.00 C ATOM 924 CZ2 TRP A 60 6.659 -6.569 -0.825 1.00 0.00 C ATOM 925 CZ3 TRP A 60 6.693 -4.157 -0.764 1.00 0.00 C ATOM 926 CH2 TRP A 60 6.200 -5.388 -0.315 1.00 0.00 C ATOM 0 H TRP A 60 11.832 -5.471 -2.642 1.00 0.00 H new ATOM 0 HA TRP A 60 11.025 -6.076 -5.237 1.00 0.00 H new ATOM 0 HB2 TRP A 60 10.266 -3.785 -3.358 1.00 0.00 H new ATOM 0 HB3 TRP A 60 9.369 -4.191 -4.808 1.00 0.00 H new ATOM 0 HD1 TRP A 60 9.824 -7.525 -3.995 1.00 0.00 H new ATOM 0 HE1 TRP A 60 8.124 -8.509 -2.320 1.00 0.00 H new ATOM 0 HE3 TRP A 60 8.063 -3.146 -2.057 1.00 0.00 H new ATOM 0 HZ2 TRP A 60 6.264 -7.516 -0.490 1.00 0.00 H new ATOM 0 HZ3 TRP A 60 6.294 -3.241 -0.353 1.00 0.00 H new ATOM 0 HH2 TRP A 60 5.440 -5.404 0.452 1.00 0.00 H new ATOM 937 N THR A 61 12.526 -3.134 -4.967 1.00 0.00 N ATOM 938 CA THR A 61 13.241 -2.067 -5.679 1.00 0.00 C ATOM 939 C THR A 61 14.448 -2.645 -6.454 1.00 0.00 C ATOM 940 O THR A 61 14.714 -2.244 -7.587 1.00 0.00 O ATOM 941 CB THR A 61 13.724 -0.952 -4.683 1.00 0.00 C ATOM 942 OG1 THR A 61 12.614 -0.501 -3.888 1.00 0.00 O ATOM 943 CG2 THR A 61 14.336 0.260 -5.408 1.00 0.00 C ATOM 0 H THR A 61 12.535 -3.022 -3.953 1.00 0.00 H new ATOM 0 HA THR A 61 12.549 -1.617 -6.390 1.00 0.00 H new ATOM 0 HB THR A 61 14.498 -1.396 -4.057 1.00 0.00 H new ATOM 0 HG1 THR A 61 12.352 -1.207 -3.261 1.00 0.00 H new ATOM 0 HG21 THR A 61 14.653 1.001 -4.674 1.00 0.00 H new ATOM 0 HG22 THR A 61 15.197 -0.063 -5.993 1.00 0.00 H new ATOM 0 HG23 THR A 61 13.592 0.702 -6.071 1.00 0.00 H new ATOM 951 N GLN A 62 15.124 -3.639 -5.853 1.00 0.00 N ATOM 952 CA GLN A 62 16.325 -4.264 -6.432 1.00 0.00 C ATOM 953 C GLN A 62 15.969 -5.039 -7.714 1.00 0.00 C ATOM 954 O GLN A 62 16.677 -4.940 -8.712 1.00 0.00 O ATOM 955 CB GLN A 62 16.973 -5.210 -5.395 1.00 0.00 C ATOM 956 CG GLN A 62 18.252 -5.911 -5.869 1.00 0.00 C ATOM 957 CD GLN A 62 18.822 -6.906 -4.860 1.00 0.00 C ATOM 958 OE1 GLN A 62 18.095 -7.502 -4.064 1.00 0.00 O ATOM 959 NE2 GLN A 62 20.133 -7.075 -4.870 1.00 0.00 N ATOM 0 H GLN A 62 14.853 -4.032 -4.952 1.00 0.00 H new ATOM 0 HA GLN A 62 17.036 -3.481 -6.694 1.00 0.00 H new ATOM 0 HB2 GLN A 62 17.202 -4.637 -4.496 1.00 0.00 H new ATOM 0 HB3 GLN A 62 16.244 -5.969 -5.112 1.00 0.00 H new ATOM 0 HG2 GLN A 62 18.044 -6.434 -6.802 1.00 0.00 H new ATOM 0 HG3 GLN A 62 19.008 -5.157 -6.088 1.00 0.00 H new ATOM 0 HE21 GLN A 62 20.708 -6.567 -5.542 1.00 0.00 H new ATOM 0 HE22 GLN A 62 20.570 -7.714 -4.206 1.00 0.00 H new ATOM 968 N GLU A 63 14.850 -5.784 -7.664 1.00 0.00 N ATOM 969 CA GLU A 63 14.358 -6.598 -8.796 1.00 0.00 C ATOM 970 C GLU A 63 13.916 -5.699 -9.960 1.00 0.00 C ATOM 971 O GLU A 63 14.068 -6.060 -11.128 1.00 0.00 O ATOM 972 CB GLU A 63 13.183 -7.511 -8.348 1.00 0.00 C ATOM 973 CG GLU A 63 13.462 -8.359 -7.085 1.00 0.00 C ATOM 974 CD GLU A 63 14.655 -9.333 -7.199 1.00 0.00 C ATOM 975 OE1 GLU A 63 15.831 -8.891 -7.103 1.00 0.00 O ATOM 976 OE2 GLU A 63 14.424 -10.546 -7.355 1.00 0.00 O ATOM 0 H GLU A 63 14.258 -5.840 -6.835 1.00 0.00 H new ATOM 0 HA GLU A 63 15.178 -7.230 -9.137 1.00 0.00 H new ATOM 0 HB2 GLU A 63 12.308 -6.888 -8.163 1.00 0.00 H new ATOM 0 HB3 GLU A 63 12.929 -8.181 -9.169 1.00 0.00 H new ATOM 0 HG2 GLU A 63 13.642 -7.686 -6.247 1.00 0.00 H new ATOM 0 HG3 GLU A 63 12.566 -8.933 -6.847 1.00 0.00 H new ATOM 983 N VAL A 64 13.373 -4.523 -9.609 1.00 0.00 N ATOM 984 CA VAL A 64 13.041 -3.471 -10.575 1.00 0.00 C ATOM 985 C VAL A 64 14.320 -2.994 -11.304 1.00 0.00 C ATOM 986 O VAL A 64 14.379 -3.003 -12.542 1.00 0.00 O ATOM 987 CB VAL A 64 12.308 -2.267 -9.878 1.00 0.00 C ATOM 988 CG1 VAL A 64 12.166 -1.065 -10.836 1.00 0.00 C ATOM 989 CG2 VAL A 64 10.925 -2.703 -9.323 1.00 0.00 C ATOM 0 H VAL A 64 13.152 -4.277 -8.644 1.00 0.00 H new ATOM 0 HA VAL A 64 12.355 -3.888 -11.313 1.00 0.00 H new ATOM 0 HB VAL A 64 12.923 -1.948 -9.037 1.00 0.00 H new ATOM 0 HG11 VAL A 64 11.655 -0.250 -10.324 1.00 0.00 H new ATOM 0 HG12 VAL A 64 13.155 -0.732 -11.151 1.00 0.00 H new ATOM 0 HG13 VAL A 64 11.587 -1.363 -11.710 1.00 0.00 H new ATOM 0 HG21 VAL A 64 10.439 -1.852 -8.846 1.00 0.00 H new ATOM 0 HG22 VAL A 64 10.302 -3.065 -10.141 1.00 0.00 H new ATOM 0 HG23 VAL A 64 11.061 -3.499 -8.591 1.00 0.00 H new ATOM 999 N ASN A 65 15.354 -2.618 -10.515 1.00 0.00 N ATOM 1000 CA ASN A 65 16.648 -2.137 -11.052 1.00 0.00 C ATOM 1001 C ASN A 65 17.390 -3.245 -11.818 1.00 0.00 C ATOM 1002 O ASN A 65 18.178 -2.951 -12.720 1.00 0.00 O ATOM 1003 CB ASN A 65 17.571 -1.549 -9.939 1.00 0.00 C ATOM 1004 CG ASN A 65 17.064 -0.225 -9.354 1.00 0.00 C ATOM 1005 OD1 ASN A 65 17.244 0.836 -9.951 1.00 0.00 O ATOM 1006 ND2 ASN A 65 16.487 -0.269 -8.167 1.00 0.00 N ATOM 0 H ASN A 65 15.315 -2.639 -9.496 1.00 0.00 H new ATOM 0 HA ASN A 65 16.407 -1.333 -11.747 1.00 0.00 H new ATOM 0 HB2 ASN A 65 17.666 -2.279 -9.135 1.00 0.00 H new ATOM 0 HB3 ASN A 65 18.569 -1.396 -10.350 1.00 0.00 H new ATOM 0 HD21 ASN A 65 16.176 0.593 -7.719 1.00 0.00 H new ATOM 0 HD22 ASN A 65 16.352 -1.165 -7.698 1.00 0.00 H new ATOM 1013 N ASP A 66 17.139 -4.515 -11.462 1.00 0.00 N ATOM 1014 CA ASP A 66 17.802 -5.676 -12.090 1.00 0.00 C ATOM 1015 C ASP A 66 16.999 -6.207 -13.303 1.00 0.00 C ATOM 1016 O ASP A 66 17.405 -7.181 -13.952 1.00 0.00 O ATOM 1017 CB ASP A 66 17.990 -6.783 -11.015 1.00 0.00 C ATOM 1018 CG ASP A 66 18.940 -7.917 -11.443 1.00 0.00 C ATOM 1019 OD1 ASP A 66 20.162 -7.678 -11.528 1.00 0.00 O ATOM 1020 OD2 ASP A 66 18.468 -9.049 -11.694 1.00 0.00 O ATOM 0 H ASP A 66 16.473 -4.769 -10.733 1.00 0.00 H new ATOM 0 HA ASP A 66 18.775 -5.367 -12.473 1.00 0.00 H new ATOM 0 HB2 ASP A 66 18.373 -6.327 -10.102 1.00 0.00 H new ATOM 0 HB3 ASP A 66 17.017 -7.210 -10.774 1.00 0.00 H new ATOM 1025 N GLY A 67 15.873 -5.538 -13.626 1.00 0.00 N ATOM 1026 CA GLY A 67 15.030 -5.915 -14.768 1.00 0.00 C ATOM 1027 C GLY A 67 14.247 -7.215 -14.593 1.00 0.00 C ATOM 1028 O GLY A 67 13.706 -7.737 -15.568 1.00 0.00 O ATOM 0 H GLY A 67 15.529 -4.731 -13.106 1.00 0.00 H new ATOM 0 HA2 GLY A 67 14.324 -5.107 -14.961 1.00 0.00 H new ATOM 0 HA3 GLY A 67 15.661 -6.005 -15.652 1.00 0.00 H new ATOM 1032 N LYS A 68 14.180 -7.746 -13.353 1.00 0.00 N ATOM 1033 CA LYS A 68 13.314 -8.904 -13.039 1.00 0.00 C ATOM 1034 C LYS A 68 11.836 -8.472 -13.026 1.00 0.00 C ATOM 1035 O LYS A 68 10.934 -9.281 -13.265 1.00 0.00 O ATOM 1036 CB LYS A 68 13.667 -9.538 -11.677 1.00 0.00 C ATOM 1037 CG LYS A 68 15.106 -10.089 -11.556 1.00 0.00 C ATOM 1038 CD LYS A 68 15.210 -11.226 -10.510 1.00 0.00 C ATOM 1039 CE LYS A 68 16.653 -11.592 -10.150 1.00 0.00 C ATOM 1040 NZ LYS A 68 17.313 -10.495 -9.403 1.00 0.00 N ATOM 0 H LYS A 68 14.712 -7.394 -12.557 1.00 0.00 H new ATOM 0 HA LYS A 68 13.481 -9.650 -13.816 1.00 0.00 H new ATOM 0 HB2 LYS A 68 13.515 -8.791 -10.897 1.00 0.00 H new ATOM 0 HB3 LYS A 68 12.967 -10.350 -11.481 1.00 0.00 H new ATOM 0 HG2 LYS A 68 15.434 -10.460 -12.527 1.00 0.00 H new ATOM 0 HG3 LYS A 68 15.781 -9.280 -11.279 1.00 0.00 H new ATOM 0 HD2 LYS A 68 14.683 -10.926 -9.605 1.00 0.00 H new ATOM 0 HD3 LYS A 68 14.704 -12.111 -10.895 1.00 0.00 H new ATOM 0 HE2 LYS A 68 16.661 -12.501 -9.549 1.00 0.00 H new ATOM 0 HE3 LYS A 68 17.215 -11.806 -11.059 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 18.036 -10.892 -8.770 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 17.763 -9.840 -10.074 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 16.604 -9.982 -8.841 1.00 0.00 H new ATOM 1054 N ALA A 69 11.623 -7.180 -12.731 1.00 0.00 N ATOM 1055 CA ALA A 69 10.297 -6.556 -12.657 1.00 0.00 C ATOM 1056 C ALA A 69 10.389 -5.094 -13.105 1.00 0.00 C ATOM 1057 O ALA A 69 11.486 -4.548 -13.266 1.00 0.00 O ATOM 1058 CB ALA A 69 9.740 -6.650 -11.223 1.00 0.00 C ATOM 0 H ALA A 69 12.383 -6.529 -12.534 1.00 0.00 H new ATOM 0 HA ALA A 69 9.615 -7.086 -13.322 1.00 0.00 H new ATOM 0 HB1 ALA A 69 8.756 -6.183 -11.184 1.00 0.00 H new ATOM 0 HB2 ALA A 69 9.656 -7.697 -10.933 1.00 0.00 H new ATOM 0 HB3 ALA A 69 10.413 -6.136 -10.537 1.00 0.00 H new ATOM 1064 N THR A 70 9.221 -4.489 -13.321 1.00 0.00 N ATOM 1065 CA THR A 70 9.072 -3.056 -13.602 1.00 0.00 C ATOM 1066 C THR A 70 8.642 -2.341 -12.316 1.00 0.00 C ATOM 1067 O THR A 70 8.174 -3.003 -11.368 1.00 0.00 O ATOM 1068 CB THR A 70 8.023 -2.819 -14.740 1.00 0.00 C ATOM 1069 OG1 THR A 70 6.760 -3.432 -14.387 1.00 0.00 O ATOM 1070 CG2 THR A 70 8.521 -3.382 -16.092 1.00 0.00 C ATOM 0 H THR A 70 8.332 -4.989 -13.306 1.00 0.00 H new ATOM 0 HA THR A 70 10.026 -2.653 -13.943 1.00 0.00 H new ATOM 0 HB THR A 70 7.886 -1.743 -14.851 1.00 0.00 H new ATOM 0 HG1 THR A 70 6.110 -3.277 -15.104 1.00 0.00 H new ATOM 0 HG21 THR A 70 7.769 -3.201 -16.860 1.00 0.00 H new ATOM 0 HG22 THR A 70 9.452 -2.888 -16.371 1.00 0.00 H new ATOM 0 HG23 THR A 70 8.693 -4.454 -15.998 1.00 0.00 H new ATOM 1078 N THR A 71 8.787 -0.999 -12.291 1.00 0.00 N ATOM 1079 CA THR A 71 8.430 -0.176 -11.123 1.00 0.00 C ATOM 1080 C THR A 71 6.949 -0.388 -10.750 1.00 0.00 C ATOM 1081 O THR A 71 6.632 -0.576 -9.583 1.00 0.00 O ATOM 1082 CB THR A 71 8.695 1.350 -11.372 1.00 0.00 C ATOM 1083 OG1 THR A 71 7.952 1.788 -12.518 1.00 0.00 O ATOM 1084 CG2 THR A 71 10.181 1.682 -11.574 1.00 0.00 C ATOM 0 H THR A 71 9.153 -0.461 -13.077 1.00 0.00 H new ATOM 0 HA THR A 71 9.067 -0.497 -10.299 1.00 0.00 H new ATOM 0 HB THR A 71 8.369 1.875 -10.474 1.00 0.00 H new ATOM 0 HG1 THR A 71 8.118 2.742 -12.670 1.00 0.00 H new ATOM 0 HG21 THR A 71 10.295 2.753 -11.741 1.00 0.00 H new ATOM 0 HG22 THR A 71 10.743 1.392 -10.686 1.00 0.00 H new ATOM 0 HG23 THR A 71 10.561 1.137 -12.438 1.00 0.00 H new ATOM 1092 N GLU A 72 6.088 -0.415 -11.791 1.00 0.00 N ATOM 1093 CA GLU A 72 4.621 -0.621 -11.688 1.00 0.00 C ATOM 1094 C GLU A 72 4.240 -1.715 -10.662 1.00 0.00 C ATOM 1095 O GLU A 72 3.493 -1.474 -9.699 1.00 0.00 O ATOM 1096 CB GLU A 72 4.029 -1.019 -13.086 1.00 0.00 C ATOM 1097 CG GLU A 72 4.515 -0.193 -14.296 1.00 0.00 C ATOM 1098 CD GLU A 72 4.283 1.316 -14.155 1.00 0.00 C ATOM 1099 OE1 GLU A 72 3.110 1.741 -14.057 1.00 0.00 O ATOM 1100 OE2 GLU A 72 5.275 2.080 -14.128 1.00 0.00 O ATOM 0 H GLU A 72 6.400 -0.291 -12.754 1.00 0.00 H new ATOM 0 HA GLU A 72 4.201 0.325 -11.346 1.00 0.00 H new ATOM 0 HB2 GLU A 72 4.264 -2.067 -13.271 1.00 0.00 H new ATOM 0 HB3 GLU A 72 2.943 -0.941 -13.032 1.00 0.00 H new ATOM 0 HG2 GLU A 72 5.580 -0.374 -14.442 1.00 0.00 H new ATOM 0 HG3 GLU A 72 4.005 -0.546 -15.192 1.00 0.00 H new ATOM 1107 N GLN A 73 4.848 -2.885 -10.856 1.00 0.00 N ATOM 1108 CA GLN A 73 4.516 -4.114 -10.123 1.00 0.00 C ATOM 1109 C GLN A 73 4.720 -4.012 -8.595 1.00 0.00 C ATOM 1110 O GLN A 73 4.141 -4.807 -7.849 1.00 0.00 O ATOM 1111 CB GLN A 73 5.321 -5.299 -10.714 1.00 0.00 C ATOM 1112 CG GLN A 73 4.895 -5.677 -12.151 1.00 0.00 C ATOM 1113 CD GLN A 73 5.780 -6.754 -12.778 1.00 0.00 C ATOM 1114 OE1 GLN A 73 5.535 -7.953 -12.628 1.00 0.00 O ATOM 1115 NE2 GLN A 73 6.783 -6.331 -13.532 1.00 0.00 N ATOM 0 H GLN A 73 5.597 -3.011 -11.537 1.00 0.00 H new ATOM 0 HA GLN A 73 3.447 -4.282 -10.255 1.00 0.00 H new ATOM 0 HB2 GLN A 73 6.381 -5.045 -10.713 1.00 0.00 H new ATOM 0 HB3 GLN A 73 5.201 -6.168 -10.067 1.00 0.00 H new ATOM 0 HG2 GLN A 73 3.863 -6.027 -12.137 1.00 0.00 H new ATOM 0 HG3 GLN A 73 4.921 -4.785 -12.777 1.00 0.00 H new ATOM 0 HE21 GLN A 73 6.958 -5.331 -13.634 1.00 0.00 H new ATOM 0 HE22 GLN A 73 7.381 -7.005 -14.010 1.00 0.00 H new ATOM 1124 N TYR A 74 5.550 -3.063 -8.114 1.00 0.00 N ATOM 1125 CA TYR A 74 5.761 -2.862 -6.653 1.00 0.00 C ATOM 1126 C TYR A 74 5.576 -1.399 -6.214 1.00 0.00 C ATOM 1127 O TYR A 74 5.627 -1.113 -5.011 1.00 0.00 O ATOM 1128 CB TYR A 74 7.176 -3.377 -6.255 1.00 0.00 C ATOM 1129 CG TYR A 74 7.404 -4.860 -6.588 1.00 0.00 C ATOM 1130 CD1 TYR A 74 6.626 -5.853 -5.983 1.00 0.00 C ATOM 1131 CD2 TYR A 74 8.361 -5.261 -7.522 1.00 0.00 C ATOM 1132 CE1 TYR A 74 6.808 -7.187 -6.290 1.00 0.00 C ATOM 1133 CE2 TYR A 74 8.541 -6.594 -7.830 1.00 0.00 C ATOM 1134 CZ TYR A 74 7.758 -7.553 -7.220 1.00 0.00 C ATOM 1135 OH TYR A 74 7.936 -8.886 -7.532 1.00 0.00 O ATOM 0 H TYR A 74 6.084 -2.426 -8.705 1.00 0.00 H new ATOM 0 HA TYR A 74 4.995 -3.437 -6.132 1.00 0.00 H new ATOM 0 HB2 TYR A 74 7.929 -2.778 -6.767 1.00 0.00 H new ATOM 0 HB3 TYR A 74 7.321 -3.226 -5.185 1.00 0.00 H new ATOM 0 HD1 TYR A 74 5.871 -5.572 -5.264 1.00 0.00 H new ATOM 0 HD2 TYR A 74 8.970 -4.516 -8.011 1.00 0.00 H new ATOM 0 HE1 TYR A 74 6.208 -7.942 -5.803 1.00 0.00 H new ATOM 0 HE2 TYR A 74 9.294 -6.886 -8.547 1.00 0.00 H new ATOM 0 HH TYR A 74 8.643 -8.973 -8.205 1.00 0.00 H new ATOM 1145 N PHE A 75 5.344 -0.470 -7.169 1.00 0.00 N ATOM 1146 CA PHE A 75 5.237 0.981 -6.876 1.00 0.00 C ATOM 1147 C PHE A 75 3.915 1.565 -7.420 1.00 0.00 C ATOM 1148 O PHE A 75 3.821 2.762 -7.611 1.00 0.00 O ATOM 1149 CB PHE A 75 6.452 1.760 -7.480 1.00 0.00 C ATOM 1150 CG PHE A 75 7.819 1.447 -6.859 1.00 0.00 C ATOM 1151 CD1 PHE A 75 8.283 2.159 -5.750 1.00 0.00 C ATOM 1152 CD2 PHE A 75 8.648 0.457 -7.390 1.00 0.00 C ATOM 1153 CE1 PHE A 75 9.524 1.887 -5.201 1.00 0.00 C ATOM 1154 CE2 PHE A 75 9.887 0.187 -6.838 1.00 0.00 C ATOM 1155 CZ PHE A 75 10.323 0.903 -5.745 1.00 0.00 C ATOM 0 H PHE A 75 5.226 -0.700 -8.156 1.00 0.00 H new ATOM 0 HA PHE A 75 5.246 1.099 -5.792 1.00 0.00 H new ATOM 0 HB2 PHE A 75 6.502 1.547 -8.548 1.00 0.00 H new ATOM 0 HB3 PHE A 75 6.263 2.828 -7.376 1.00 0.00 H new ATOM 0 HD1 PHE A 75 7.665 2.931 -5.316 1.00 0.00 H new ATOM 0 HD2 PHE A 75 8.315 -0.109 -8.248 1.00 0.00 H new ATOM 0 HE1 PHE A 75 9.868 2.447 -4.344 1.00 0.00 H new ATOM 0 HE2 PHE A 75 10.512 -0.584 -7.263 1.00 0.00 H new ATOM 0 HZ PHE A 75 11.291 0.694 -5.314 1.00 0.00 H new ATOM 1165 N VAL A 76 2.898 0.721 -7.681 1.00 0.00 N ATOM 1166 CA VAL A 76 1.497 1.191 -7.891 1.00 0.00 C ATOM 1167 C VAL A 76 0.667 0.770 -6.676 1.00 0.00 C ATOM 1168 O VAL A 76 0.895 -0.299 -6.143 1.00 0.00 O ATOM 1169 CB VAL A 76 0.841 0.624 -9.208 1.00 0.00 C ATOM 1170 CG1 VAL A 76 -0.627 1.091 -9.381 1.00 0.00 C ATOM 1171 CG2 VAL A 76 1.666 1.011 -10.444 1.00 0.00 C ATOM 0 H VAL A 76 3.011 -0.290 -7.753 1.00 0.00 H new ATOM 0 HA VAL A 76 1.519 2.275 -8.004 1.00 0.00 H new ATOM 0 HB VAL A 76 0.834 -0.462 -9.111 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -1.035 0.675 -10.302 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -1.220 0.748 -8.533 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -0.659 2.179 -9.429 1.00 0.00 H new ATOM 0 HG21 VAL A 76 1.192 0.608 -11.339 1.00 0.00 H new ATOM 0 HG22 VAL A 76 1.720 2.097 -10.520 1.00 0.00 H new ATOM 0 HG23 VAL A 76 2.673 0.603 -10.352 1.00 0.00 H new ATOM 1181 N LEU A 77 -0.294 1.610 -6.273 1.00 0.00 N ATOM 1182 CA LEU A 77 -1.102 1.427 -5.044 1.00 0.00 C ATOM 1183 C LEU A 77 -1.879 0.093 -4.992 1.00 0.00 C ATOM 1184 O LEU A 77 -2.013 -0.481 -3.914 1.00 0.00 O ATOM 1185 CB LEU A 77 -2.062 2.643 -4.848 1.00 0.00 C ATOM 1186 CG LEU A 77 -1.544 3.764 -3.902 1.00 0.00 C ATOM 1187 CD1 LEU A 77 -1.468 3.256 -2.441 1.00 0.00 C ATOM 1188 CD2 LEU A 77 -0.191 4.341 -4.384 1.00 0.00 C ATOM 0 H LEU A 77 -0.542 2.451 -6.794 1.00 0.00 H new ATOM 0 HA LEU A 77 -0.395 1.379 -4.216 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -2.266 3.082 -5.824 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -3.011 2.274 -4.459 1.00 0.00 H new ATOM 0 HG LEU A 77 -2.261 4.585 -3.931 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -1.103 4.056 -1.796 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -2.460 2.948 -2.111 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -0.787 2.407 -2.386 1.00 0.00 H new ATOM 0 HD21 LEU A 77 0.137 5.121 -3.697 1.00 0.00 H new ATOM 0 HD22 LEU A 77 0.554 3.546 -4.413 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -0.310 4.763 -5.382 1.00 0.00 H new ATOM 1200 N LYS A 78 -2.381 -0.384 -6.145 1.00 0.00 N ATOM 1201 CA LYS A 78 -3.120 -1.674 -6.223 1.00 0.00 C ATOM 1202 C LYS A 78 -2.157 -2.858 -5.942 1.00 0.00 C ATOM 1203 O LYS A 78 -2.508 -3.807 -5.230 1.00 0.00 O ATOM 1204 CB LYS A 78 -3.803 -1.828 -7.623 1.00 0.00 C ATOM 1205 CG LYS A 78 -2.812 -1.805 -8.806 1.00 0.00 C ATOM 1206 CD LYS A 78 -3.467 -1.842 -10.204 1.00 0.00 C ATOM 1207 CE LYS A 78 -2.405 -1.826 -11.323 1.00 0.00 C ATOM 1208 NZ LYS A 78 -3.005 -1.836 -12.676 1.00 0.00 N ATOM 0 H LYS A 78 -2.293 0.098 -7.040 1.00 0.00 H new ATOM 0 HA LYS A 78 -3.902 -1.680 -5.464 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -4.358 -2.766 -7.645 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -4.528 -1.025 -7.753 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -2.200 -0.906 -8.731 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -2.139 -2.657 -8.714 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -4.081 -2.738 -10.296 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -4.132 -0.986 -10.319 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -1.780 -0.940 -11.213 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -1.753 -2.692 -11.212 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -2.250 -1.825 -13.391 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -3.581 -2.694 -12.794 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -3.607 -0.996 -12.795 1.00 0.00 H new ATOM 1222 N ASN A 79 -0.930 -2.755 -6.487 1.00 0.00 N ATOM 1223 CA ASN A 79 0.119 -3.787 -6.365 1.00 0.00 C ATOM 1224 C ASN A 79 0.702 -3.786 -4.954 1.00 0.00 C ATOM 1225 O ASN A 79 0.839 -4.830 -4.335 1.00 0.00 O ATOM 1226 CB ASN A 79 1.249 -3.521 -7.385 1.00 0.00 C ATOM 1227 CG ASN A 79 0.775 -3.608 -8.827 1.00 0.00 C ATOM 1228 OD1 ASN A 79 0.272 -2.634 -9.375 1.00 0.00 O ATOM 1229 ND2 ASN A 79 0.956 -4.753 -9.468 1.00 0.00 N ATOM 0 H ASN A 79 -0.635 -1.944 -7.031 1.00 0.00 H new ATOM 0 HA ASN A 79 -0.330 -4.759 -6.567 1.00 0.00 H new ATOM 0 HB2 ASN A 79 1.669 -2.532 -7.205 1.00 0.00 H new ATOM 0 HB3 ASN A 79 2.051 -4.242 -7.227 1.00 0.00 H new ATOM 0 HD21 ASN A 79 0.674 -4.841 -10.444 1.00 0.00 H new ATOM 0 HD22 ASN A 79 1.377 -5.547 -8.985 1.00 0.00 H new ATOM 1236 N LEU A 80 1.024 -2.577 -4.480 1.00 0.00 N ATOM 1237 CA LEU A 80 1.628 -2.322 -3.166 1.00 0.00 C ATOM 1238 C LEU A 80 0.698 -2.833 -2.055 1.00 0.00 C ATOM 1239 O LEU A 80 1.128 -3.576 -1.180 1.00 0.00 O ATOM 1240 CB LEU A 80 1.894 -0.794 -3.001 1.00 0.00 C ATOM 1241 CG LEU A 80 2.604 -0.339 -1.682 1.00 0.00 C ATOM 1242 CD1 LEU A 80 4.025 -0.945 -1.554 1.00 0.00 C ATOM 1243 CD2 LEU A 80 2.617 1.208 -1.560 1.00 0.00 C ATOM 0 H LEU A 80 0.867 -1.723 -5.016 1.00 0.00 H new ATOM 0 HA LEU A 80 2.577 -2.853 -3.092 1.00 0.00 H new ATOM 0 HB2 LEU A 80 2.499 -0.462 -3.844 1.00 0.00 H new ATOM 0 HB3 LEU A 80 0.939 -0.274 -3.069 1.00 0.00 H new ATOM 0 HG LEU A 80 2.024 -0.727 -0.844 1.00 0.00 H new ATOM 0 HD11 LEU A 80 4.483 -0.605 -0.625 1.00 0.00 H new ATOM 0 HD12 LEU A 80 3.957 -2.033 -1.548 1.00 0.00 H new ATOM 0 HD13 LEU A 80 4.635 -0.624 -2.399 1.00 0.00 H new ATOM 0 HD21 LEU A 80 3.116 1.496 -0.635 1.00 0.00 H new ATOM 0 HD22 LEU A 80 3.151 1.635 -2.409 1.00 0.00 H new ATOM 0 HD23 LEU A 80 1.593 1.581 -1.551 1.00 0.00 H new ATOM 1255 N ALA A 81 -0.597 -2.473 -2.162 1.00 0.00 N ATOM 1256 CA ALA A 81 -1.648 -2.916 -1.223 1.00 0.00 C ATOM 1257 C ALA A 81 -1.820 -4.438 -1.237 1.00 0.00 C ATOM 1258 O ALA A 81 -2.077 -5.042 -0.199 1.00 0.00 O ATOM 1259 CB ALA A 81 -2.981 -2.238 -1.552 1.00 0.00 C ATOM 0 H ALA A 81 -0.944 -1.865 -2.904 1.00 0.00 H new ATOM 0 HA ALA A 81 -1.332 -2.624 -0.222 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -3.744 -2.576 -0.851 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -2.869 -1.157 -1.473 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -3.281 -2.498 -2.567 1.00 0.00 H new ATOM 1265 N ALA A 82 -1.675 -5.044 -2.432 1.00 0.00 N ATOM 1266 CA ALA A 82 -1.733 -6.506 -2.604 1.00 0.00 C ATOM 1267 C ALA A 82 -0.562 -7.187 -1.868 1.00 0.00 C ATOM 1268 O ALA A 82 -0.772 -8.145 -1.130 1.00 0.00 O ATOM 1269 CB ALA A 82 -1.723 -6.878 -4.095 1.00 0.00 C ATOM 0 H ALA A 82 -1.515 -4.534 -3.301 1.00 0.00 H new ATOM 0 HA ALA A 82 -2.666 -6.863 -2.168 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -1.766 -7.962 -4.200 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -2.587 -6.431 -4.587 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -0.809 -6.505 -4.557 1.00 0.00 H new ATOM 1275 N ARG A 83 0.663 -6.641 -2.056 1.00 0.00 N ATOM 1276 CA ARG A 83 1.899 -7.154 -1.422 1.00 0.00 C ATOM 1277 C ARG A 83 1.777 -7.117 0.117 1.00 0.00 C ATOM 1278 O ARG A 83 2.039 -8.103 0.803 1.00 0.00 O ATOM 1279 CB ARG A 83 3.148 -6.317 -1.846 1.00 0.00 C ATOM 1280 CG ARG A 83 3.457 -6.248 -3.363 1.00 0.00 C ATOM 1281 CD ARG A 83 3.544 -7.631 -4.022 1.00 0.00 C ATOM 1282 NE ARG A 83 4.524 -8.512 -3.358 1.00 0.00 N ATOM 1283 CZ ARG A 83 4.417 -9.845 -3.260 1.00 0.00 C ATOM 1284 NH1 ARG A 83 3.376 -10.500 -3.761 1.00 0.00 N ATOM 1285 NH2 ARG A 83 5.350 -10.522 -2.638 1.00 0.00 N ATOM 0 H ARG A 83 0.821 -5.830 -2.654 1.00 0.00 H new ATOM 0 HA ARG A 83 2.029 -8.182 -1.759 1.00 0.00 H new ATOM 0 HB2 ARG A 83 3.016 -5.299 -1.479 1.00 0.00 H new ATOM 0 HB3 ARG A 83 4.021 -6.728 -1.339 1.00 0.00 H new ATOM 0 HG2 ARG A 83 2.682 -5.663 -3.859 1.00 0.00 H new ATOM 0 HG3 ARG A 83 4.399 -5.721 -3.512 1.00 0.00 H new ATOM 0 HD2 ARG A 83 2.562 -8.103 -3.999 1.00 0.00 H new ATOM 0 HD3 ARG A 83 3.817 -7.514 -5.071 1.00 0.00 H new ATOM 0 HE ARG A 83 5.346 -8.073 -2.942 1.00 0.00 H new ATOM 0 HH11 ARG A 83 2.632 -9.988 -4.235 1.00 0.00 H new ATOM 0 HH12 ARG A 83 3.321 -11.515 -3.672 1.00 0.00 H new ATOM 0 HH21 ARG A 83 6.149 -10.035 -2.233 1.00 0.00 H new ATOM 0 HH22 ARG A 83 5.277 -11.536 -2.559 1.00 0.00 H new ATOM 1299 N ILE A 84 1.336 -5.956 0.612 1.00 0.00 N ATOM 1300 CA ILE A 84 1.176 -5.663 2.046 1.00 0.00 C ATOM 1301 C ILE A 84 0.108 -6.579 2.678 1.00 0.00 C ATOM 1302 O ILE A 84 0.324 -7.133 3.755 1.00 0.00 O ATOM 1303 CB ILE A 84 0.809 -4.136 2.213 1.00 0.00 C ATOM 1304 CG1 ILE A 84 2.036 -3.255 1.796 1.00 0.00 C ATOM 1305 CG2 ILE A 84 0.308 -3.781 3.636 1.00 0.00 C ATOM 1306 CD1 ILE A 84 1.746 -1.778 1.627 1.00 0.00 C ATOM 0 H ILE A 84 1.073 -5.172 0.014 1.00 0.00 H new ATOM 0 HA ILE A 84 2.110 -5.862 2.571 1.00 0.00 H new ATOM 0 HB ILE A 84 -0.030 -3.923 1.551 1.00 0.00 H new ATOM 0 HG12 ILE A 84 2.817 -3.371 2.547 1.00 0.00 H new ATOM 0 HG13 ILE A 84 2.436 -3.639 0.858 1.00 0.00 H new ATOM 0 HG21 ILE A 84 0.073 -2.718 3.684 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -0.587 -4.361 3.862 1.00 0.00 H new ATOM 0 HG23 ILE A 84 1.085 -4.014 4.364 1.00 0.00 H new ATOM 0 HD11 ILE A 84 2.660 -1.259 1.338 1.00 0.00 H new ATOM 0 HD12 ILE A 84 0.991 -1.642 0.853 1.00 0.00 H new ATOM 0 HD13 ILE A 84 1.378 -1.369 2.568 1.00 0.00 H new ATOM 1318 N ASP A 85 -1.013 -6.761 1.961 1.00 0.00 N ATOM 1319 CA ASP A 85 -2.125 -7.644 2.388 1.00 0.00 C ATOM 1320 C ASP A 85 -1.662 -9.112 2.481 1.00 0.00 C ATOM 1321 O ASP A 85 -2.048 -9.834 3.407 1.00 0.00 O ATOM 1322 CB ASP A 85 -3.313 -7.510 1.399 1.00 0.00 C ATOM 1323 CG ASP A 85 -4.565 -8.301 1.821 1.00 0.00 C ATOM 1324 OD1 ASP A 85 -5.336 -7.806 2.675 1.00 0.00 O ATOM 1325 OD2 ASP A 85 -4.796 -9.403 1.295 1.00 0.00 O ATOM 0 H ASP A 85 -1.180 -6.301 1.066 1.00 0.00 H new ATOM 0 HA ASP A 85 -2.452 -7.334 3.381 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -3.576 -6.457 1.302 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -2.994 -7.851 0.414 1.00 0.00 H new ATOM 1330 N GLU A 86 -0.815 -9.524 1.517 1.00 0.00 N ATOM 1331 CA GLU A 86 -0.196 -10.864 1.493 1.00 0.00 C ATOM 1332 C GLU A 86 0.726 -11.061 2.714 1.00 0.00 C ATOM 1333 O GLU A 86 0.741 -12.134 3.306 1.00 0.00 O ATOM 1334 CB GLU A 86 0.609 -11.092 0.177 1.00 0.00 C ATOM 1335 CG GLU A 86 -0.243 -11.237 -1.100 1.00 0.00 C ATOM 1336 CD GLU A 86 -1.153 -12.474 -1.078 1.00 0.00 C ATOM 1337 OE1 GLU A 86 -0.664 -13.586 -1.360 1.00 0.00 O ATOM 1338 OE2 GLU A 86 -2.356 -12.351 -0.770 1.00 0.00 O ATOM 0 H GLU A 86 -0.540 -8.935 0.731 1.00 0.00 H new ATOM 0 HA GLU A 86 -1.001 -11.598 1.535 1.00 0.00 H new ATOM 0 HB2 GLU A 86 1.297 -10.257 0.042 1.00 0.00 H new ATOM 0 HB3 GLU A 86 1.216 -11.990 0.293 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -0.856 -10.344 -1.224 1.00 0.00 H new ATOM 0 HG3 GLU A 86 0.417 -11.294 -1.966 1.00 0.00 H new ATOM 1345 N LEU A 87 1.494 -10.014 3.073 1.00 0.00 N ATOM 1346 CA LEU A 87 2.430 -10.056 4.225 1.00 0.00 C ATOM 1347 C LEU A 87 1.683 -10.081 5.578 1.00 0.00 C ATOM 1348 O LEU A 87 2.141 -10.727 6.530 1.00 0.00 O ATOM 1349 CB LEU A 87 3.436 -8.872 4.173 1.00 0.00 C ATOM 1350 CG LEU A 87 4.334 -8.797 2.895 1.00 0.00 C ATOM 1351 CD1 LEU A 87 5.338 -7.635 2.984 1.00 0.00 C ATOM 1352 CD2 LEU A 87 5.044 -10.142 2.608 1.00 0.00 C ATOM 0 H LEU A 87 1.487 -9.121 2.581 1.00 0.00 H new ATOM 0 HA LEU A 87 2.991 -10.987 4.146 1.00 0.00 H new ATOM 0 HB2 LEU A 87 2.876 -7.940 4.256 1.00 0.00 H new ATOM 0 HB3 LEU A 87 4.085 -8.933 5.047 1.00 0.00 H new ATOM 0 HG LEU A 87 3.675 -8.599 2.049 1.00 0.00 H new ATOM 0 HD11 LEU A 87 5.947 -7.610 2.080 1.00 0.00 H new ATOM 0 HD12 LEU A 87 4.797 -6.694 3.083 1.00 0.00 H new ATOM 0 HD13 LEU A 87 5.982 -7.776 3.852 1.00 0.00 H new ATOM 0 HD21 LEU A 87 5.657 -10.046 1.712 1.00 0.00 H new ATOM 0 HD22 LEU A 87 5.677 -10.407 3.455 1.00 0.00 H new ATOM 0 HD23 LEU A 87 4.298 -10.922 2.455 1.00 0.00 H new ATOM 1364 N VAL A 88 0.525 -9.386 5.645 1.00 0.00 N ATOM 1365 CA VAL A 88 -0.371 -9.417 6.829 1.00 0.00 C ATOM 1366 C VAL A 88 -0.932 -10.841 7.013 1.00 0.00 C ATOM 1367 O VAL A 88 -0.965 -11.386 8.130 1.00 0.00 O ATOM 1368 CB VAL A 88 -1.560 -8.380 6.702 1.00 0.00 C ATOM 1369 CG1 VAL A 88 -2.549 -8.500 7.888 1.00 0.00 C ATOM 1370 CG2 VAL A 88 -1.030 -6.927 6.587 1.00 0.00 C ATOM 0 H VAL A 88 0.185 -8.792 4.888 1.00 0.00 H new ATOM 0 HA VAL A 88 0.218 -9.132 7.701 1.00 0.00 H new ATOM 0 HB VAL A 88 -2.099 -8.622 5.786 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -3.352 -7.773 7.767 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -2.970 -9.505 7.910 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -2.022 -8.306 8.822 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -1.871 -6.239 6.501 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -0.448 -6.680 7.475 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -0.398 -6.839 5.704 1.00 0.00 H new ATOM 1380 N ALA A 89 -1.319 -11.439 5.883 1.00 0.00 N ATOM 1381 CA ALA A 89 -1.866 -12.795 5.831 1.00 0.00 C ATOM 1382 C ALA A 89 -0.789 -13.842 6.165 1.00 0.00 C ATOM 1383 O ALA A 89 -1.076 -14.831 6.836 1.00 0.00 O ATOM 1384 CB ALA A 89 -2.477 -13.052 4.449 1.00 0.00 C ATOM 0 H ALA A 89 -1.260 -10.989 4.969 1.00 0.00 H new ATOM 0 HA ALA A 89 -2.649 -12.886 6.584 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -2.884 -14.063 4.413 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -3.275 -12.333 4.265 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -1.707 -12.943 3.685 1.00 0.00 H new ATOM 1390 N ALA A 90 0.451 -13.601 5.701 1.00 0.00 N ATOM 1391 CA ALA A 90 1.601 -14.502 5.907 1.00 0.00 C ATOM 1392 C ALA A 90 1.980 -14.596 7.390 1.00 0.00 C ATOM 1393 O ALA A 90 2.181 -15.693 7.933 1.00 0.00 O ATOM 1394 CB ALA A 90 2.805 -14.022 5.077 1.00 0.00 C ATOM 0 H ALA A 90 0.686 -12.765 5.166 1.00 0.00 H new ATOM 0 HA ALA A 90 1.312 -15.499 5.574 1.00 0.00 H new ATOM 0 HB1 ALA A 90 3.648 -14.694 5.237 1.00 0.00 H new ATOM 0 HB2 ALA A 90 2.540 -14.018 4.020 1.00 0.00 H new ATOM 0 HB3 ALA A 90 3.081 -13.014 5.386 1.00 0.00 H new ATOM 1400 N LYS A 91 2.017 -13.430 8.053 1.00 0.00 N ATOM 1401 CA LYS A 91 2.394 -13.336 9.472 1.00 0.00 C ATOM 1402 C LYS A 91 1.204 -13.734 10.369 1.00 0.00 C ATOM 1403 O LYS A 91 1.379 -14.010 11.558 1.00 0.00 O ATOM 1404 CB LYS A 91 2.868 -11.907 9.829 1.00 0.00 C ATOM 1405 CG LYS A 91 1.758 -10.842 9.806 1.00 0.00 C ATOM 1406 CD LYS A 91 2.210 -9.482 10.359 1.00 0.00 C ATOM 1407 CE LYS A 91 1.048 -8.492 10.443 1.00 0.00 C ATOM 1408 NZ LYS A 91 -0.039 -8.991 11.318 1.00 0.00 N ATOM 0 H LYS A 91 1.789 -12.533 7.625 1.00 0.00 H new ATOM 0 HA LYS A 91 3.220 -14.025 9.646 1.00 0.00 H new ATOM 0 HB2 LYS A 91 3.317 -11.924 10.822 1.00 0.00 H new ATOM 0 HB3 LYS A 91 3.651 -11.612 9.130 1.00 0.00 H new ATOM 0 HG2 LYS A 91 1.410 -10.712 8.781 1.00 0.00 H new ATOM 0 HG3 LYS A 91 0.909 -11.199 10.389 1.00 0.00 H new ATOM 0 HD2 LYS A 91 2.645 -9.618 11.349 1.00 0.00 H new ATOM 0 HD3 LYS A 91 2.993 -9.071 9.721 1.00 0.00 H new ATOM 0 HE2 LYS A 91 1.411 -7.537 10.823 1.00 0.00 H new ATOM 0 HE3 LYS A 91 0.654 -8.308 9.443 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -0.652 -8.198 11.596 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -0.601 -9.700 10.804 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 0.372 -9.426 12.169 1.00 0.00 H new ATOM 1422 N GLY A 92 -0.011 -13.725 9.783 1.00 0.00 N ATOM 1423 CA GLY A 92 -1.214 -14.177 10.481 1.00 0.00 C ATOM 1424 C GLY A 92 -1.380 -15.690 10.357 1.00 0.00 C ATOM 1425 O GLY A 92 -1.970 -16.329 11.230 1.00 0.00 O ATOM 0 H GLY A 92 -0.176 -13.408 8.828 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -1.155 -13.899 11.533 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -2.089 -13.676 10.067 1.00 0.00 H new ATOM 1429 N ALA A 93 -0.816 -16.249 9.259 1.00 0.00 N ATOM 1430 CA ALA A 93 -0.855 -17.697 8.937 1.00 0.00 C ATOM 1431 C ALA A 93 0.303 -18.463 9.596 1.00 0.00 C ATOM 1432 O ALA A 93 0.515 -19.648 9.301 1.00 0.00 O ATOM 1433 CB ALA A 93 -0.840 -17.899 7.408 1.00 0.00 C ATOM 0 H ALA A 93 -0.314 -15.699 8.562 1.00 0.00 H new ATOM 0 HA ALA A 93 -1.781 -18.104 9.343 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -0.869 -18.965 7.182 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -1.710 -17.411 6.968 1.00 0.00 H new ATOM 0 HB3 ALA A 93 0.069 -17.464 6.992 1.00 0.00 H new ATOM 1439 N LEU A 94 1.047 -17.787 10.493 1.00 0.00 N ATOM 1440 CA LEU A 94 2.040 -18.439 11.369 1.00 0.00 C ATOM 1441 C LEU A 94 1.326 -19.405 12.339 1.00 0.00 C ATOM 1442 O LEU A 94 0.084 -19.394 12.440 1.00 0.00 O ATOM 1443 CB LEU A 94 2.862 -17.376 12.160 1.00 0.00 C ATOM 1444 CG LEU A 94 3.738 -16.404 11.300 1.00 0.00 C ATOM 1445 CD1 LEU A 94 4.425 -15.330 12.174 1.00 0.00 C ATOM 1446 CD2 LEU A 94 4.768 -17.172 10.447 1.00 0.00 C ATOM 0 H LEU A 94 0.977 -16.779 10.630 1.00 0.00 H new ATOM 0 HA LEU A 94 2.734 -19.007 10.750 1.00 0.00 H new ATOM 0 HB2 LEU A 94 2.170 -16.779 12.754 1.00 0.00 H new ATOM 0 HB3 LEU A 94 3.515 -17.898 12.860 1.00 0.00 H new ATOM 0 HG LEU A 94 3.065 -15.888 10.616 1.00 0.00 H new ATOM 0 HD11 LEU A 94 5.024 -14.675 11.541 1.00 0.00 H new ATOM 0 HD12 LEU A 94 3.667 -14.742 12.691 1.00 0.00 H new ATOM 0 HD13 LEU A 94 5.070 -15.815 12.907 1.00 0.00 H new ATOM 0 HD21 LEU A 94 5.357 -16.464 9.864 1.00 0.00 H new ATOM 0 HD22 LEU A 94 5.428 -17.743 11.100 1.00 0.00 H new ATOM 0 HD23 LEU A 94 4.247 -17.852 9.773 1.00 0.00 H new ATOM 1458 N GLU A 95 2.108 -20.241 13.052 1.00 0.00 N ATOM 1459 CA GLU A 95 1.547 -21.234 13.986 1.00 0.00 C ATOM 1460 C GLU A 95 0.791 -20.513 15.129 1.00 0.00 C ATOM 1461 O GLU A 95 1.174 -19.409 15.551 1.00 0.00 O ATOM 1462 CB GLU A 95 2.649 -22.240 14.478 1.00 0.00 C ATOM 1463 CG GLU A 95 3.848 -21.641 15.259 1.00 0.00 C ATOM 1464 CD GLU A 95 3.581 -21.416 16.758 1.00 0.00 C ATOM 1465 OE1 GLU A 95 3.375 -22.413 17.494 1.00 0.00 O ATOM 1466 OE2 GLU A 95 3.580 -20.256 17.213 1.00 0.00 O ATOM 0 H GLU A 95 3.127 -20.247 12.998 1.00 0.00 H new ATOM 0 HA GLU A 95 0.812 -21.851 13.469 1.00 0.00 H new ATOM 0 HB2 GLU A 95 2.169 -22.985 15.113 1.00 0.00 H new ATOM 0 HB3 GLU A 95 3.040 -22.767 13.608 1.00 0.00 H new ATOM 0 HG2 GLU A 95 4.705 -22.306 15.151 1.00 0.00 H new ATOM 0 HG3 GLU A 95 4.123 -20.689 14.804 1.00 0.00 H new ATOM 1473 N HIS A 96 -0.287 -21.147 15.618 1.00 0.00 N ATOM 1474 CA HIS A 96 -1.301 -20.507 16.493 1.00 0.00 C ATOM 1475 C HIS A 96 -0.864 -20.495 17.974 1.00 0.00 C ATOM 1476 O HIS A 96 -1.692 -20.250 18.865 1.00 0.00 O ATOM 1477 CB HIS A 96 -2.671 -21.229 16.326 1.00 0.00 C ATOM 1478 CG HIS A 96 -3.264 -21.148 14.937 1.00 0.00 C ATOM 1479 ND1 HIS A 96 -4.617 -21.045 14.703 1.00 0.00 N ATOM 1480 CD2 HIS A 96 -2.687 -21.182 13.708 1.00 0.00 C ATOM 1481 CE1 HIS A 96 -4.840 -21.022 13.405 1.00 0.00 C ATOM 1482 NE2 HIS A 96 -3.688 -21.103 12.779 1.00 0.00 N ATOM 0 H HIS A 96 -0.487 -22.127 15.419 1.00 0.00 H new ATOM 0 HA HIS A 96 -1.403 -19.466 16.185 1.00 0.00 H new ATOM 0 HB2 HIS A 96 -2.548 -22.279 16.593 1.00 0.00 H new ATOM 0 HB3 HIS A 96 -3.380 -20.801 17.034 1.00 0.00 H new ATOM 0 HD2 HIS A 96 -1.630 -21.258 13.502 1.00 0.00 H new ATOM 0 HE1 HIS A 96 -5.809 -20.949 12.934 1.00 0.00 H new ATOM 0 HE2 HIS A 96 -3.561 -21.106 11.767 1.00 0.00 H new ATOM 1491 N HIS A 97 0.450 -20.732 18.209 1.00 0.00 N ATOM 1492 CA HIS A 97 1.079 -20.697 19.542 1.00 0.00 C ATOM 1493 C HIS A 97 0.401 -21.707 20.485 1.00 0.00 C ATOM 1494 O HIS A 97 -0.087 -21.346 21.563 1.00 0.00 O ATOM 1495 CB HIS A 97 1.095 -19.248 20.110 1.00 0.00 C ATOM 1496 CG HIS A 97 1.800 -18.257 19.217 1.00 0.00 C ATOM 1497 ND1 HIS A 97 1.189 -17.676 18.127 1.00 0.00 N ATOM 1498 CD2 HIS A 97 3.066 -17.777 19.230 1.00 0.00 C ATOM 1499 CE1 HIS A 97 2.045 -16.887 17.511 1.00 0.00 C ATOM 1500 NE2 HIS A 97 3.192 -16.928 18.156 1.00 0.00 N ATOM 0 H HIS A 97 1.108 -20.956 17.463 1.00 0.00 H new ATOM 0 HA HIS A 97 2.122 -21.002 19.453 1.00 0.00 H new ATOM 0 HB2 HIS A 97 0.068 -18.917 20.267 1.00 0.00 H new ATOM 0 HB3 HIS A 97 1.580 -19.255 21.086 1.00 0.00 H new ATOM 0 HD2 HIS A 97 3.834 -18.017 19.950 1.00 0.00 H new ATOM 0 HE1 HIS A 97 1.840 -16.304 16.625 1.00 0.00 H new ATOM 0 HE2 HIS A 97 4.035 -16.414 17.901 1.00 0.00 H new ATOM 1509 N HIS A 98 0.357 -22.980 20.024 1.00 0.00 N ATOM 1510 CA HIS A 98 -0.168 -24.123 20.816 1.00 0.00 C ATOM 1511 C HIS A 98 0.588 -24.229 22.154 1.00 0.00 C ATOM 1512 O HIS A 98 0.013 -24.609 23.181 1.00 0.00 O ATOM 1513 CB HIS A 98 -0.057 -25.462 20.021 1.00 0.00 C ATOM 1514 CG HIS A 98 1.357 -25.983 19.827 1.00 0.00 C ATOM 1515 ND1 HIS A 98 1.907 -26.972 20.621 1.00 0.00 N ATOM 1516 CD2 HIS A 98 2.326 -25.641 18.944 1.00 0.00 C ATOM 1517 CE1 HIS A 98 3.144 -27.209 20.232 1.00 0.00 C ATOM 1518 NE2 HIS A 98 3.428 -26.412 19.223 1.00 0.00 N ATOM 0 H HIS A 98 0.683 -23.245 19.095 1.00 0.00 H new ATOM 0 HA HIS A 98 -1.224 -23.941 21.016 1.00 0.00 H new ATOM 0 HB2 HIS A 98 -0.640 -26.223 20.539 1.00 0.00 H new ATOM 0 HB3 HIS A 98 -0.514 -25.323 19.041 1.00 0.00 H new ATOM 0 HD2 HIS A 98 2.247 -24.898 18.164 1.00 0.00 H new ATOM 0 HE1 HIS A 98 3.813 -27.936 20.668 1.00 0.00 H new ATOM 0 HE2 HIS A 98 4.320 -26.373 18.730 1.00 0.00 H new ATOM 1527 N HIS A 99 1.887 -23.882 22.096 1.00 0.00 N ATOM 1528 CA HIS A 99 2.750 -23.740 23.268 1.00 0.00 C ATOM 1529 C HIS A 99 4.005 -22.954 22.833 1.00 0.00 C ATOM 1530 O HIS A 99 4.856 -23.490 22.117 1.00 0.00 O ATOM 1531 CB HIS A 99 3.126 -25.125 23.879 1.00 0.00 C ATOM 1532 CG HIS A 99 3.651 -25.052 25.294 1.00 0.00 C ATOM 1533 ND1 HIS A 99 3.009 -25.627 26.369 1.00 0.00 N ATOM 1534 CD2 HIS A 99 4.756 -24.458 25.805 1.00 0.00 C ATOM 1535 CE1 HIS A 99 3.692 -25.388 27.470 1.00 0.00 C ATOM 1536 NE2 HIS A 99 4.758 -24.682 27.153 1.00 0.00 N ATOM 0 H HIS A 99 2.367 -23.691 21.217 1.00 0.00 H new ATOM 0 HA HIS A 99 2.223 -23.199 24.054 1.00 0.00 H new ATOM 0 HB2 HIS A 99 2.247 -25.769 23.862 1.00 0.00 H new ATOM 0 HB3 HIS A 99 3.879 -25.597 23.247 1.00 0.00 H new ATOM 0 HD2 HIS A 99 5.500 -23.908 25.248 1.00 0.00 H new ATOM 0 HE1 HIS A 99 3.424 -25.715 28.464 1.00 0.00 H new ATOM 0 HE2 HIS A 99 5.469 -24.356 27.807 1.00 0.00 H new ATOM 1545 N HIS A 100 4.062 -21.668 23.218 1.00 0.00 N ATOM 1546 CA HIS A 100 5.204 -20.769 22.966 1.00 0.00 C ATOM 1547 C HIS A 100 5.195 -19.666 24.036 1.00 0.00 C ATOM 1548 O HIS A 100 4.587 -18.604 23.847 1.00 0.00 O ATOM 1549 CB HIS A 100 5.175 -20.168 21.511 1.00 0.00 C ATOM 1550 CG HIS A 100 6.048 -20.890 20.512 1.00 0.00 C ATOM 1551 ND1 HIS A 100 5.835 -20.838 19.154 1.00 0.00 N ATOM 1552 CD2 HIS A 100 7.183 -21.615 20.679 1.00 0.00 C ATOM 1553 CE1 HIS A 100 6.792 -21.495 18.532 1.00 0.00 C ATOM 1554 NE2 HIS A 100 7.623 -21.978 19.433 1.00 0.00 N ATOM 0 H HIS A 100 3.301 -21.214 23.723 1.00 0.00 H new ATOM 0 HA HIS A 100 6.131 -21.338 23.032 1.00 0.00 H new ATOM 0 HB2 HIS A 100 4.147 -20.178 21.149 1.00 0.00 H new ATOM 0 HB3 HIS A 100 5.486 -19.124 21.557 1.00 0.00 H new ATOM 0 HD1 HIS A 100 5.055 -20.363 18.699 1.00 0.00 H new ATOM 0 HD2 HIS A 100 7.653 -21.861 21.620 1.00 0.00 H new ATOM 0 HE1 HIS A 100 6.881 -21.617 17.463 1.00 0.00 H new ATOM 1563 N HIS A 101 5.834 -19.966 25.181 1.00 0.00 N ATOM 1564 CA HIS A 101 5.896 -19.077 26.352 1.00 0.00 C ATOM 1565 C HIS A 101 7.149 -19.450 27.184 1.00 0.00 C ATOM 1566 O HIS A 101 8.226 -18.865 26.944 1.00 0.00 O ATOM 1567 CB HIS A 101 4.569 -19.194 27.174 1.00 0.00 C ATOM 1568 CG HIS A 101 4.476 -18.282 28.373 1.00 0.00 C ATOM 1569 ND1 HIS A 101 3.913 -17.025 28.319 1.00 0.00 N ATOM 1570 CD2 HIS A 101 4.860 -18.457 29.661 1.00 0.00 C ATOM 1571 CE1 HIS A 101 3.963 -16.469 29.512 1.00 0.00 C ATOM 1572 NE2 HIS A 101 4.527 -17.318 30.343 1.00 0.00 N ATOM 1573 OXT HIS A 101 7.066 -20.361 28.034 1.00 0.00 O ATOM 0 H HIS A 101 6.329 -20.847 25.319 1.00 0.00 H new ATOM 0 HA HIS A 101 5.988 -18.034 26.050 1.00 0.00 H new ATOM 0 HB2 HIS A 101 3.730 -18.984 26.511 1.00 0.00 H new ATOM 0 HB3 HIS A 101 4.459 -20.225 27.511 1.00 0.00 H new ATOM 0 HD2 HIS A 101 5.340 -19.333 30.073 1.00 0.00 H new ATOM 0 HE1 HIS A 101 3.602 -15.483 29.765 1.00 0.00 H new ATOM 0 HE2 HIS A 101 4.690 -17.154 31.336 1.00 0.00 H new TER 1582 HIS A 101