USER MOD reduce.3.24.130724 H: found=0, std=0, add=674, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 681 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 1 MET CE :methyl -139:sc= -0.287 (180deg=-2.58!) USER MOD Set 1.2: A 19 HIS : no HD1:sc= 0.154 K(o=-0.13,f=-7.4!) USER MOD Single : A 1 MET N :NH3+ 137:sc= 0.0709 (180deg=-0.106) USER MOD Single : A 3 SER OG : rot -62:sc= -1.37 USER MOD Single : A 8 LYS NZ :NH3+ 159:sc= -0.0787 (180deg=-0.46) USER MOD Single : A 9 CYS SG : rot 180:sc= 0.0803 USER MOD Single : A 11 GLN : amide:sc= 0.465 K(o=0.47,f=-3.5!) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 THR OG1 : rot 180:sc= -0.0465 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 MET CE :methyl 157:sc= -0.0495 (180deg=-0.394) USER MOD Single : A 31 MET CE :methyl -126:sc= -3.04! (180deg=-5.36!) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 CYS SG : rot 114:sc= -2.53! USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 GLN : amide:sc= 0 K(o=0,f=-0.56) USER MOD Single : A 54 ASN : amide:sc= -3.48! C(o=-3.5!,f=-8.5!) USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ -171:sc= 1.25 (180deg=1.22) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 69 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 76 HIS : no HD1:sc= 0 X(o=0,f=-0.0093) USER MOD Single : A 77 HIS : no HE2:sc= 0.686 K(o=0.85,f=-5.1!) USER MOD Single : A 78 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 79 HIS : no HD1:sc= -0.0653 X(o=-0.065,f=-0.068) USER MOD Single : A 80 HIS : no HD1:sc= 0 X(o=0,f=-0.012) USER MOD Single : A 81 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 0.606 2.867 13.897 1.00 4.12 N ATOM 2 CA MET A 1 -0.019 3.835 12.966 1.00 25.34 C ATOM 3 C MET A 1 -1.022 3.120 12.072 1.00 25.33 C ATOM 4 O MET A 1 -1.365 1.966 12.325 1.00 14.34 O ATOM 5 CB MET A 1 1.054 4.531 12.115 1.00 50.12 C ATOM 6 CG MET A 1 1.911 3.579 11.292 1.00 62.13 C ATOM 7 SD MET A 1 3.141 4.437 10.288 1.00 4.02 S ATOM 8 CE MET A 1 2.086 5.330 9.151 1.00 44.23 C ATOM 0 H1 MET A 1 1.628 3.050 13.953 1.00 4.12 H new ATOM 0 H2 MET A 1 0.183 2.971 14.842 1.00 4.12 H new ATOM 0 H3 MET A 1 0.446 1.899 13.551 1.00 4.12 H new ATOM 0 HA MET A 1 -0.542 4.595 13.547 1.00 25.34 H new ATOM 0 HB2 MET A 1 0.567 5.237 11.443 1.00 50.12 H new ATOM 0 HB3 MET A 1 1.703 5.111 12.771 1.00 50.12 H new ATOM 0 HG2 MET A 1 2.416 2.882 11.961 1.00 62.13 H new ATOM 0 HG3 MET A 1 1.267 2.987 10.642 1.00 62.13 H new ATOM 0 HE1 MET A 1 2.514 5.290 8.149 1.00 44.23 H new ATOM 0 HE2 MET A 1 1.095 4.875 9.140 1.00 44.23 H new ATOM 0 HE3 MET A 1 2.005 6.369 9.470 1.00 44.23 H new ATOM 18 N PHE A 2 -1.504 3.807 11.051 1.00 62.22 N ATOM 19 CA PHE A 2 -2.394 3.200 10.080 1.00 72.42 C ATOM 20 C PHE A 2 -1.733 3.221 8.709 1.00 45.52 C ATOM 21 O PHE A 2 -1.888 4.171 7.938 1.00 51.24 O ATOM 22 CB PHE A 2 -3.737 3.934 10.048 1.00 61.15 C ATOM 23 CG PHE A 2 -4.785 3.252 9.214 1.00 51.23 C ATOM 24 CD1 PHE A 2 -5.358 2.064 9.639 1.00 64.04 C ATOM 25 CD2 PHE A 2 -5.196 3.795 8.007 1.00 13.25 C ATOM 26 CE1 PHE A 2 -6.321 1.434 8.878 1.00 34.54 C ATOM 27 CE2 PHE A 2 -6.160 3.167 7.242 1.00 51.23 C ATOM 28 CZ PHE A 2 -6.722 1.985 7.680 1.00 23.14 C ATOM 0 H PHE A 2 -1.292 4.789 10.874 1.00 62.22 H new ATOM 0 HA PHE A 2 -2.587 2.166 10.366 1.00 72.42 H new ATOM 0 HB2 PHE A 2 -4.108 4.036 11.068 1.00 61.15 H new ATOM 0 HB3 PHE A 2 -3.580 4.942 9.663 1.00 61.15 H new ATOM 0 HD1 PHE A 2 -5.047 1.626 10.576 1.00 64.04 H new ATOM 0 HD2 PHE A 2 -4.758 4.719 7.661 1.00 13.25 H new ATOM 0 HE1 PHE A 2 -6.761 0.509 9.221 1.00 34.54 H new ATOM 0 HE2 PHE A 2 -6.473 3.600 6.303 1.00 51.23 H new ATOM 0 HZ PHE A 2 -7.476 1.492 7.084 1.00 23.14 H new ATOM 38 N SER A 3 -0.966 2.185 8.427 1.00 22.22 N ATOM 39 CA SER A 3 -0.221 2.112 7.188 1.00 14.01 C ATOM 40 C SER A 3 -0.672 0.920 6.357 1.00 62.24 C ATOM 41 O SER A 3 -1.587 0.190 6.743 1.00 41.15 O ATOM 42 CB SER A 3 1.271 2.000 7.497 1.00 44.34 C ATOM 43 OG SER A 3 1.545 0.835 8.259 1.00 63.05 O ATOM 0 H SER A 3 -0.843 1.381 9.042 1.00 22.22 H new ATOM 0 HA SER A 3 -0.407 3.019 6.612 1.00 14.01 H new ATOM 0 HB2 SER A 3 1.838 1.972 6.566 1.00 44.34 H new ATOM 0 HB3 SER A 3 1.600 2.883 8.045 1.00 44.34 H new ATOM 0 HG SER A 3 1.077 0.889 9.119 1.00 63.05 H new ATOM 49 N LEU A 4 -0.015 0.723 5.219 1.00 74.35 N ATOM 50 CA LEU A 4 -0.285 -0.424 4.358 1.00 33.32 C ATOM 51 C LEU A 4 0.124 -1.713 5.075 1.00 31.42 C ATOM 52 O LEU A 4 -0.309 -2.807 4.725 1.00 41.23 O ATOM 53 CB LEU A 4 0.482 -0.272 3.040 1.00 51.13 C ATOM 54 CG LEU A 4 0.057 -1.221 1.918 1.00 53.50 C ATOM 55 CD1 LEU A 4 -1.408 -1.014 1.574 1.00 21.34 C ATOM 56 CD2 LEU A 4 0.927 -1.010 0.690 1.00 23.34 C ATOM 0 H LEU A 4 0.713 1.347 4.870 1.00 74.35 H new ATOM 0 HA LEU A 4 -1.351 -0.472 4.136 1.00 33.32 H new ATOM 0 HB2 LEU A 4 0.366 0.753 2.688 1.00 51.13 H new ATOM 0 HB3 LEU A 4 1.543 -0.423 3.238 1.00 51.13 H new ATOM 0 HG LEU A 4 0.188 -2.247 2.263 1.00 53.50 H new ATOM 0 HD11 LEU A 4 -1.694 -1.697 0.774 1.00 21.34 H new ATOM 0 HD12 LEU A 4 -2.020 -1.210 2.455 1.00 21.34 H new ATOM 0 HD13 LEU A 4 -1.563 0.014 1.246 1.00 21.34 H new ATOM 0 HD21 LEU A 4 0.613 -1.692 -0.100 1.00 23.34 H new ATOM 0 HD22 LEU A 4 0.824 0.018 0.344 1.00 23.34 H new ATOM 0 HD23 LEU A 4 1.969 -1.205 0.944 1.00 23.34 H new ATOM 68 N ARG A 5 0.962 -1.551 6.089 1.00 63.12 N ATOM 69 CA ARG A 5 1.396 -2.647 6.941 1.00 3.11 C ATOM 70 C ARG A 5 0.245 -3.133 7.821 1.00 24.35 C ATOM 71 O ARG A 5 0.118 -4.327 8.098 1.00 24.42 O ATOM 72 CB ARG A 5 2.567 -2.156 7.805 1.00 41.25 C ATOM 73 CG ARG A 5 2.986 -3.081 8.938 1.00 44.41 C ATOM 74 CD ARG A 5 3.630 -4.363 8.437 1.00 55.44 C ATOM 75 NE ARG A 5 2.641 -5.380 8.092 1.00 34.34 N ATOM 76 CZ ARG A 5 2.773 -6.672 8.384 1.00 52.35 C ATOM 77 NH1 ARG A 5 3.847 -7.102 9.039 1.00 22.22 N ATOM 78 NH2 ARG A 5 1.812 -7.524 8.046 1.00 55.42 N ATOM 0 H ARG A 5 1.362 -0.648 6.345 1.00 63.12 H new ATOM 0 HA ARG A 5 1.718 -3.487 6.326 1.00 3.11 H new ATOM 0 HB2 ARG A 5 3.428 -1.992 7.157 1.00 41.25 H new ATOM 0 HB3 ARG A 5 2.300 -1.189 8.231 1.00 41.25 H new ATOM 0 HG2 ARG A 5 3.686 -2.558 9.590 1.00 44.41 H new ATOM 0 HG3 ARG A 5 2.113 -3.329 9.542 1.00 44.41 H new ATOM 0 HD2 ARG A 5 4.242 -4.142 7.562 1.00 55.44 H new ATOM 0 HD3 ARG A 5 4.299 -4.755 9.203 1.00 55.44 H new ATOM 0 HE ARG A 5 1.799 -5.083 7.598 1.00 34.34 H new ATOM 0 HH11 ARG A 5 4.572 -6.441 9.319 1.00 22.22 H new ATOM 0 HH12 ARG A 5 3.946 -8.092 9.262 1.00 22.22 H new ATOM 0 HH21 ARG A 5 0.978 -7.187 7.565 1.00 55.42 H new ATOM 0 HH22 ARG A 5 1.908 -8.515 8.267 1.00 55.42 H new ATOM 92 N ASP A 6 -0.597 -2.202 8.238 1.00 12.24 N ATOM 93 CA ASP A 6 -1.664 -2.503 9.185 1.00 34.44 C ATOM 94 C ASP A 6 -2.935 -2.952 8.474 1.00 64.34 C ATOM 95 O ASP A 6 -3.814 -3.557 9.088 1.00 54.41 O ATOM 96 CB ASP A 6 -1.973 -1.279 10.049 1.00 32.51 C ATOM 97 CG ASP A 6 -0.738 -0.726 10.728 1.00 33.32 C ATOM 98 OD1 ASP A 6 -0.371 -1.228 11.813 1.00 12.51 O ATOM 99 OD2 ASP A 6 -0.130 0.216 10.179 1.00 11.23 O ATOM 0 H ASP A 6 -0.564 -1.228 7.936 1.00 12.24 H new ATOM 0 HA ASP A 6 -1.315 -3.320 9.817 1.00 34.44 H new ATOM 0 HB2 ASP A 6 -2.421 -0.503 9.428 1.00 32.51 H new ATOM 0 HB3 ASP A 6 -2.710 -1.548 10.805 1.00 32.51 H new ATOM 105 N ALA A 7 -3.029 -2.656 7.185 1.00 74.34 N ATOM 106 CA ALA A 7 -4.221 -2.980 6.407 1.00 62.15 C ATOM 107 C ALA A 7 -4.280 -4.472 6.068 1.00 24.11 C ATOM 108 O ALA A 7 -3.319 -5.208 6.300 1.00 51.54 O ATOM 109 CB ALA A 7 -4.265 -2.136 5.143 1.00 31.22 C ATOM 0 H ALA A 7 -2.293 -2.191 6.653 1.00 74.34 H new ATOM 0 HA ALA A 7 -5.096 -2.749 7.014 1.00 62.15 H new ATOM 0 HB1 ALA A 7 -5.158 -2.385 4.570 1.00 31.22 H new ATOM 0 HB2 ALA A 7 -4.289 -1.080 5.411 1.00 31.22 H new ATOM 0 HB3 ALA A 7 -3.379 -2.337 4.540 1.00 31.22 H new ATOM 115 N LYS A 8 -5.409 -4.913 5.521 1.00 64.30 N ATOM 116 CA LYS A 8 -5.615 -6.328 5.237 1.00 32.54 C ATOM 117 C LYS A 8 -5.833 -6.566 3.750 1.00 15.22 C ATOM 118 O LYS A 8 -6.169 -5.646 3.006 1.00 44.12 O ATOM 119 CB LYS A 8 -6.819 -6.863 6.018 1.00 71.33 C ATOM 120 CG LYS A 8 -6.678 -6.759 7.528 1.00 12.53 C ATOM 121 CD LYS A 8 -5.415 -7.447 8.021 1.00 42.23 C ATOM 122 CE LYS A 8 -5.432 -7.619 9.528 1.00 60.11 C ATOM 123 NZ LYS A 8 -6.507 -8.553 9.958 1.00 61.13 N ATOM 0 H LYS A 8 -6.193 -4.312 5.266 1.00 64.30 H new ATOM 0 HA LYS A 8 -4.715 -6.859 5.548 1.00 32.54 H new ATOM 0 HB2 LYS A 8 -7.710 -6.317 5.709 1.00 71.33 H new ATOM 0 HB3 LYS A 8 -6.977 -7.908 5.750 1.00 71.33 H new ATOM 0 HG2 LYS A 8 -6.659 -5.709 7.821 1.00 12.53 H new ATOM 0 HG3 LYS A 8 -7.548 -7.208 8.007 1.00 12.53 H new ATOM 0 HD2 LYS A 8 -5.319 -8.422 7.543 1.00 42.23 H new ATOM 0 HD3 LYS A 8 -4.543 -6.862 7.730 1.00 42.23 H new ATOM 0 HE2 LYS A 8 -4.466 -7.996 9.863 1.00 60.11 H new ATOM 0 HE3 LYS A 8 -5.579 -6.650 10.004 1.00 60.11 H new ATOM 0 HZ1 LYS A 8 -6.285 -8.926 10.903 1.00 61.13 H new ATOM 0 HZ2 LYS A 8 -7.415 -8.046 9.990 1.00 61.13 H new ATOM 0 HZ3 LYS A 8 -6.574 -9.340 9.282 1.00 61.13 H new ATOM 137 N CYS A 9 -5.650 -7.811 3.327 1.00 65.44 N ATOM 138 CA CYS A 9 -5.853 -8.179 1.936 1.00 33.53 C ATOM 139 C CYS A 9 -7.341 -8.216 1.609 1.00 30.55 C ATOM 140 O CYS A 9 -8.169 -8.539 2.463 1.00 33.41 O ATOM 141 CB CYS A 9 -5.201 -9.530 1.639 1.00 5.34 C ATOM 142 SG CYS A 9 -5.662 -10.846 2.788 1.00 14.04 S ATOM 0 H CYS A 9 -5.361 -8.581 3.930 1.00 65.44 H new ATOM 0 HA CYS A 9 -5.381 -7.426 1.305 1.00 33.53 H new ATOM 0 HB2 CYS A 9 -5.470 -9.836 0.628 1.00 5.34 H new ATOM 0 HB3 CYS A 9 -4.118 -9.410 1.658 1.00 5.34 H new ATOM 0 HG CYS A 9 -5.060 -11.948 2.450 1.00 14.04 H new ATOM 148 N GLY A 10 -7.675 -7.865 0.377 1.00 0.12 N ATOM 149 CA GLY A 10 -9.063 -7.804 -0.029 1.00 34.40 C ATOM 150 C GLY A 10 -9.622 -6.404 0.105 1.00 54.12 C ATOM 151 O GLY A 10 -10.684 -6.093 -0.436 1.00 45.42 O ATOM 0 H GLY A 10 -7.006 -7.620 -0.353 1.00 0.12 H new ATOM 0 HA2 GLY A 10 -9.155 -8.136 -1.063 1.00 34.40 H new ATOM 0 HA3 GLY A 10 -9.651 -8.491 0.579 1.00 34.40 H new ATOM 155 N GLN A 11 -8.892 -5.561 0.821 1.00 72.31 N ATOM 156 CA GLN A 11 -9.297 -4.183 1.041 1.00 54.00 C ATOM 157 C GLN A 11 -8.663 -3.273 0.001 1.00 10.04 C ATOM 158 O GLN A 11 -7.657 -3.626 -0.624 1.00 24.22 O ATOM 159 CB GLN A 11 -8.890 -3.728 2.442 1.00 34.13 C ATOM 160 CG GLN A 11 -9.518 -4.546 3.557 1.00 41.13 C ATOM 161 CD GLN A 11 -9.075 -4.095 4.934 1.00 4.41 C ATOM 162 OE1 GLN A 11 -7.963 -3.597 5.114 1.00 41.33 O ATOM 163 NE2 GLN A 11 -9.941 -4.270 5.919 1.00 72.34 N ATOM 0 H GLN A 11 -8.008 -5.812 1.263 1.00 72.31 H new ATOM 0 HA GLN A 11 -10.382 -4.124 0.949 1.00 54.00 H new ATOM 0 HB2 GLN A 11 -7.805 -3.782 2.531 1.00 34.13 H new ATOM 0 HB3 GLN A 11 -9.169 -2.682 2.570 1.00 34.13 H new ATOM 0 HG2 GLN A 11 -10.603 -4.474 3.487 1.00 41.13 H new ATOM 0 HG3 GLN A 11 -9.259 -5.596 3.422 1.00 41.13 H new ATOM 0 HE21 GLN A 11 -10.853 -4.686 5.729 1.00 72.34 H new ATOM 0 HE22 GLN A 11 -9.697 -3.989 6.869 1.00 72.34 H new ATOM 172 N THR A 12 -9.258 -2.112 -0.190 1.00 34.13 N ATOM 173 CA THR A 12 -8.734 -1.133 -1.115 1.00 44.32 C ATOM 174 C THR A 12 -8.387 0.151 -0.371 1.00 4.12 C ATOM 175 O THR A 12 -9.243 0.772 0.262 1.00 55.33 O ATOM 176 CB THR A 12 -9.748 -0.838 -2.237 1.00 55.21 C ATOM 177 OG1 THR A 12 -10.190 -2.074 -2.816 1.00 73.34 O ATOM 178 CG2 THR A 12 -9.128 0.041 -3.314 1.00 75.10 C ATOM 0 H THR A 12 -10.112 -1.824 0.289 1.00 34.13 H new ATOM 0 HA THR A 12 -7.831 -1.539 -1.571 1.00 44.32 H new ATOM 0 HB THR A 12 -10.597 -0.305 -1.808 1.00 55.21 H new ATOM 0 HG1 THR A 12 -10.836 -1.889 -3.529 1.00 73.34 H new ATOM 0 HG21 THR A 12 -9.864 0.234 -4.094 1.00 75.10 H new ATOM 0 HG22 THR A 12 -8.809 0.986 -2.874 1.00 75.10 H new ATOM 0 HG23 THR A 12 -8.266 -0.467 -3.747 1.00 75.10 H new ATOM 186 N VAL A 13 -7.126 0.530 -0.426 1.00 74.31 N ATOM 187 CA VAL A 13 -6.666 1.732 0.241 1.00 1.44 C ATOM 188 C VAL A 13 -6.065 2.690 -0.774 1.00 44.32 C ATOM 189 O VAL A 13 -5.903 2.340 -1.938 1.00 65.03 O ATOM 190 CB VAL A 13 -5.615 1.417 1.326 1.00 2.13 C ATOM 191 CG1 VAL A 13 -6.213 0.554 2.426 1.00 41.43 C ATOM 192 CG2 VAL A 13 -4.399 0.735 0.720 1.00 21.13 C ATOM 0 H VAL A 13 -6.399 0.021 -0.928 1.00 74.31 H new ATOM 0 HA VAL A 13 -7.529 2.190 0.724 1.00 1.44 H new ATOM 0 HB VAL A 13 -5.296 2.362 1.766 1.00 2.13 H new ATOM 0 HG11 VAL A 13 -5.453 0.346 3.179 1.00 41.43 H new ATOM 0 HG12 VAL A 13 -7.047 1.081 2.889 1.00 41.43 H new ATOM 0 HG13 VAL A 13 -6.568 -0.384 2.000 1.00 41.43 H new ATOM 0 HG21 VAL A 13 -3.672 0.523 1.504 1.00 21.13 H new ATOM 0 HG22 VAL A 13 -4.704 -0.198 0.246 1.00 21.13 H new ATOM 0 HG23 VAL A 13 -3.948 1.390 -0.025 1.00 21.13 H new ATOM 202 N LYS A 14 -5.755 3.897 -0.346 1.00 53.55 N ATOM 203 CA LYS A 14 -5.078 4.843 -1.205 1.00 2.43 C ATOM 204 C LYS A 14 -3.865 5.426 -0.495 1.00 10.44 C ATOM 205 O LYS A 14 -3.942 5.787 0.678 1.00 13.24 O ATOM 206 CB LYS A 14 -6.042 5.949 -1.618 1.00 23.32 C ATOM 207 CG LYS A 14 -5.416 6.985 -2.527 1.00 2.42 C ATOM 208 CD LYS A 14 -6.459 7.902 -3.129 1.00 0.12 C ATOM 209 CE LYS A 14 -7.362 8.508 -2.072 1.00 33.10 C ATOM 210 NZ LYS A 14 -8.303 9.499 -2.652 1.00 52.11 N ATOM 0 H LYS A 14 -5.961 4.244 0.591 1.00 53.55 H new ATOM 0 HA LYS A 14 -4.734 4.327 -2.101 1.00 2.43 H new ATOM 0 HB2 LYS A 14 -6.899 5.504 -2.123 1.00 23.32 H new ATOM 0 HB3 LYS A 14 -6.421 6.443 -0.723 1.00 23.32 H new ATOM 0 HG2 LYS A 14 -4.694 7.575 -1.963 1.00 2.42 H new ATOM 0 HG3 LYS A 14 -4.866 6.485 -3.325 1.00 2.42 H new ATOM 0 HD2 LYS A 14 -5.964 8.699 -3.683 1.00 0.12 H new ATOM 0 HD3 LYS A 14 -7.063 7.344 -3.845 1.00 0.12 H new ATOM 0 HE2 LYS A 14 -7.926 7.716 -1.579 1.00 33.10 H new ATOM 0 HE3 LYS A 14 -6.753 8.990 -1.307 1.00 33.10 H new ATOM 0 HZ1 LYS A 14 -8.903 9.891 -1.898 1.00 52.11 H new ATOM 0 HZ2 LYS A 14 -7.765 10.268 -3.101 1.00 52.11 H new ATOM 0 HZ3 LYS A 14 -8.901 9.034 -3.364 1.00 52.11 H new ATOM 224 N VAL A 15 -2.748 5.498 -1.205 1.00 32.01 N ATOM 225 CA VAL A 15 -1.527 6.066 -0.648 1.00 60.52 C ATOM 226 C VAL A 15 -1.626 7.581 -0.604 1.00 34.24 C ATOM 227 O VAL A 15 -1.744 8.231 -1.644 1.00 3.30 O ATOM 228 CB VAL A 15 -0.290 5.668 -1.471 1.00 63.23 C ATOM 229 CG1 VAL A 15 0.974 6.242 -0.848 1.00 22.55 C ATOM 230 CG2 VAL A 15 -0.197 4.159 -1.588 1.00 13.53 C ATOM 0 H VAL A 15 -2.661 5.171 -2.167 1.00 32.01 H new ATOM 0 HA VAL A 15 -1.415 5.670 0.361 1.00 60.52 H new ATOM 0 HB VAL A 15 -0.392 6.083 -2.474 1.00 63.23 H new ATOM 0 HG11 VAL A 15 1.839 5.950 -1.444 1.00 22.55 H new ATOM 0 HG12 VAL A 15 0.904 7.329 -0.819 1.00 22.55 H new ATOM 0 HG13 VAL A 15 1.086 5.859 0.166 1.00 22.55 H new ATOM 0 HG21 VAL A 15 0.683 3.893 -2.173 1.00 13.53 H new ATOM 0 HG22 VAL A 15 -0.117 3.721 -0.593 1.00 13.53 H new ATOM 0 HG23 VAL A 15 -1.090 3.777 -2.082 1.00 13.53 H new ATOM 240 N VAL A 16 -1.580 8.141 0.592 1.00 21.22 N ATOM 241 CA VAL A 16 -1.748 9.578 0.754 1.00 5.34 C ATOM 242 C VAL A 16 -0.474 10.276 1.196 1.00 72.15 C ATOM 243 O VAL A 16 -0.264 11.447 0.888 1.00 34.35 O ATOM 244 CB VAL A 16 -2.869 9.910 1.755 1.00 72.41 C ATOM 245 CG1 VAL A 16 -4.238 9.677 1.132 1.00 20.34 C ATOM 246 CG2 VAL A 16 -2.729 9.092 3.030 1.00 70.45 C ATOM 0 H VAL A 16 -1.429 7.629 1.461 1.00 21.22 H new ATOM 0 HA VAL A 16 -2.017 9.949 -0.235 1.00 5.34 H new ATOM 0 HB VAL A 16 -2.777 10.965 2.013 1.00 72.41 H new ATOM 0 HG11 VAL A 16 -5.014 9.918 1.858 1.00 20.34 H new ATOM 0 HG12 VAL A 16 -4.352 10.314 0.255 1.00 20.34 H new ATOM 0 HG13 VAL A 16 -4.330 8.632 0.836 1.00 20.34 H new ATOM 0 HG21 VAL A 16 -3.535 9.349 3.717 1.00 70.45 H new ATOM 0 HG22 VAL A 16 -2.782 8.030 2.789 1.00 70.45 H new ATOM 0 HG23 VAL A 16 -1.769 9.310 3.499 1.00 70.45 H new ATOM 256 N LYS A 17 0.362 9.571 1.927 1.00 44.14 N ATOM 257 CA LYS A 17 1.613 10.144 2.399 1.00 54.20 C ATOM 258 C LYS A 17 2.727 9.103 2.345 1.00 73.35 C ATOM 259 O LYS A 17 2.513 7.935 2.671 1.00 50.54 O ATOM 260 CB LYS A 17 1.431 10.667 3.826 1.00 53.13 C ATOM 261 CG LYS A 17 2.497 11.649 4.275 1.00 3.54 C ATOM 262 CD LYS A 17 2.174 12.196 5.654 1.00 43.44 C ATOM 263 CE LYS A 17 3.111 13.325 6.051 1.00 43.33 C ATOM 264 NZ LYS A 17 2.788 13.856 7.402 1.00 62.14 N ATOM 0 H LYS A 17 0.203 8.604 2.209 1.00 44.14 H new ATOM 0 HA LYS A 17 1.894 10.975 1.752 1.00 54.20 H new ATOM 0 HB2 LYS A 17 0.456 11.148 3.902 1.00 53.13 H new ATOM 0 HB3 LYS A 17 1.423 9.820 4.512 1.00 53.13 H new ATOM 0 HG2 LYS A 17 3.469 11.156 4.292 1.00 3.54 H new ATOM 0 HG3 LYS A 17 2.568 12.469 3.560 1.00 3.54 H new ATOM 0 HD2 LYS A 17 1.145 12.556 5.670 1.00 43.44 H new ATOM 0 HD3 LYS A 17 2.242 11.393 6.388 1.00 43.44 H new ATOM 0 HE2 LYS A 17 4.140 12.966 6.037 1.00 43.33 H new ATOM 0 HE3 LYS A 17 3.044 14.129 5.318 1.00 43.33 H new ATOM 0 HZ1 LYS A 17 3.447 14.625 7.640 1.00 62.14 H new ATOM 0 HZ2 LYS A 17 1.814 14.221 7.408 1.00 62.14 H new ATOM 0 HZ3 LYS A 17 2.876 13.094 8.105 1.00 62.14 H new ATOM 278 N LEU A 18 3.910 9.528 1.927 1.00 15.34 N ATOM 279 CA LEU A 18 5.050 8.627 1.808 1.00 25.42 C ATOM 280 C LEU A 18 6.072 8.908 2.906 1.00 62.12 C ATOM 281 O LEU A 18 6.688 9.973 2.934 1.00 62.14 O ATOM 282 CB LEU A 18 5.710 8.772 0.433 1.00 43.31 C ATOM 283 CG LEU A 18 4.893 8.251 -0.756 1.00 63.14 C ATOM 284 CD1 LEU A 18 5.662 8.459 -2.051 1.00 41.31 C ATOM 285 CD2 LEU A 18 4.563 6.778 -0.565 1.00 3.02 C ATOM 0 H LEU A 18 4.107 10.493 1.664 1.00 15.34 H new ATOM 0 HA LEU A 18 4.687 7.605 1.918 1.00 25.42 H new ATOM 0 HB2 LEU A 18 5.929 9.826 0.265 1.00 43.31 H new ATOM 0 HB3 LEU A 18 6.665 8.247 0.452 1.00 43.31 H new ATOM 0 HG LEU A 18 3.959 8.810 -0.812 1.00 63.14 H new ATOM 0 HD11 LEU A 18 5.072 8.085 -2.888 1.00 41.31 H new ATOM 0 HD12 LEU A 18 5.858 9.522 -2.191 1.00 41.31 H new ATOM 0 HD13 LEU A 18 6.608 7.919 -2.003 1.00 41.31 H new ATOM 0 HD21 LEU A 18 3.983 6.422 -1.416 1.00 3.02 H new ATOM 0 HD22 LEU A 18 5.487 6.205 -0.490 1.00 3.02 H new ATOM 0 HD23 LEU A 18 3.982 6.651 0.349 1.00 3.02 H new ATOM 297 N HIS A 19 6.242 7.952 3.807 1.00 21.44 N ATOM 298 CA HIS A 19 7.180 8.102 4.913 1.00 72.23 C ATOM 299 C HIS A 19 8.555 7.582 4.515 1.00 14.14 C ATOM 300 O HIS A 19 8.710 6.937 3.477 1.00 10.41 O ATOM 301 CB HIS A 19 6.684 7.352 6.157 1.00 34.31 C ATOM 302 CG HIS A 19 5.395 7.871 6.720 1.00 34.05 C ATOM 303 ND1 HIS A 19 5.336 8.892 7.640 1.00 61.41 N ATOM 304 CD2 HIS A 19 4.110 7.501 6.495 1.00 45.22 C ATOM 305 CE1 HIS A 19 4.080 9.129 7.957 1.00 23.30 C ATOM 306 NE2 HIS A 19 3.312 8.300 7.279 1.00 11.33 N ATOM 0 H HIS A 19 5.743 7.063 3.795 1.00 21.44 H new ATOM 0 HA HIS A 19 7.252 9.163 5.151 1.00 72.23 H new ATOM 0 HB2 HIS A 19 6.559 6.299 5.905 1.00 34.31 H new ATOM 0 HB3 HIS A 19 7.452 7.406 6.929 1.00 34.31 H new ATOM 0 HD2 HIS A 19 3.776 6.723 5.824 1.00 45.22 H new ATOM 0 HE1 HIS A 19 3.737 9.878 8.656 1.00 23.30 H new ATOM 0 HE2 HIS A 19 2.294 8.258 7.328 1.00 11.33 H new ATOM 315 N GLY A 20 9.550 7.863 5.341 1.00 3.11 N ATOM 316 CA GLY A 20 10.894 7.418 5.056 1.00 31.02 C ATOM 317 C GLY A 20 11.840 8.576 4.830 1.00 62.34 C ATOM 318 O GLY A 20 11.419 9.731 4.788 1.00 64.34 O ATOM 0 H GLY A 20 9.449 8.393 6.206 1.00 3.11 H new ATOM 0 HA2 GLY A 20 11.257 6.810 5.884 1.00 31.02 H new ATOM 0 HA3 GLY A 20 10.885 6.780 4.172 1.00 31.02 H new ATOM 322 N THR A 21 13.117 8.269 4.688 1.00 61.42 N ATOM 323 CA THR A 21 14.132 9.286 4.471 1.00 72.12 C ATOM 324 C THR A 21 14.102 9.805 3.032 1.00 35.21 C ATOM 325 O THR A 21 13.555 10.874 2.759 1.00 12.13 O ATOM 326 CB THR A 21 15.527 8.726 4.799 1.00 23.42 C ATOM 327 OG1 THR A 21 15.653 7.403 4.251 1.00 44.23 O ATOM 328 CG2 THR A 21 15.751 8.678 6.301 1.00 22.24 C ATOM 0 H THR A 21 13.478 7.316 4.719 1.00 61.42 H new ATOM 0 HA THR A 21 13.915 10.121 5.137 1.00 72.12 H new ATOM 0 HB THR A 21 16.277 9.383 4.359 1.00 23.42 H new ATOM 0 HG1 THR A 21 16.542 7.046 4.458 1.00 44.23 H new ATOM 0 HG21 THR A 21 16.744 8.279 6.508 1.00 22.24 H new ATOM 0 HG22 THR A 21 15.671 9.684 6.713 1.00 22.24 H new ATOM 0 HG23 THR A 21 14.999 8.037 6.761 1.00 22.24 H new ATOM 336 N GLY A 22 14.679 9.039 2.120 1.00 15.21 N ATOM 337 CA GLY A 22 14.667 9.412 0.719 1.00 70.30 C ATOM 338 C GLY A 22 14.647 8.197 -0.180 1.00 52.54 C ATOM 339 O GLY A 22 13.744 8.036 -1.006 1.00 2.53 O ATOM 0 H GLY A 22 15.158 8.162 2.325 1.00 15.21 H new ATOM 0 HA2 GLY A 22 13.794 10.031 0.514 1.00 70.30 H new ATOM 0 HA3 GLY A 22 15.546 10.016 0.495 1.00 70.30 H new ATOM 343 N ALA A 23 15.631 7.322 0.003 1.00 74.54 N ATOM 344 CA ALA A 23 15.728 6.097 -0.779 1.00 33.35 C ATOM 345 C ALA A 23 14.518 5.204 -0.540 1.00 74.05 C ATOM 346 O ALA A 23 14.079 4.491 -1.439 1.00 45.44 O ATOM 347 CB ALA A 23 17.008 5.350 -0.444 1.00 51.12 C ATOM 0 H ALA A 23 16.375 7.441 0.690 1.00 74.54 H new ATOM 0 HA ALA A 23 15.750 6.371 -1.834 1.00 33.35 H new ATOM 0 HB1 ALA A 23 17.063 4.438 -1.038 1.00 51.12 H new ATOM 0 HB2 ALA A 23 17.867 5.982 -0.669 1.00 51.12 H new ATOM 0 HB3 ALA A 23 17.013 5.094 0.616 1.00 51.12 H new ATOM 353 N LEU A 24 13.986 5.248 0.680 1.00 64.21 N ATOM 354 CA LEU A 24 12.783 4.492 1.023 1.00 31.03 C ATOM 355 C LEU A 24 11.599 4.977 0.197 1.00 3.03 C ATOM 356 O LEU A 24 10.902 4.181 -0.432 1.00 42.11 O ATOM 357 CB LEU A 24 12.459 4.617 2.520 1.00 11.22 C ATOM 358 CG LEU A 24 13.296 3.738 3.462 1.00 51.41 C ATOM 359 CD1 LEU A 24 13.179 2.271 3.070 1.00 52.45 C ATOM 360 CD2 LEU A 24 14.755 4.177 3.476 1.00 3.13 C ATOM 0 H LEU A 24 14.369 5.799 1.448 1.00 64.21 H new ATOM 0 HA LEU A 24 12.972 3.442 0.797 1.00 31.03 H new ATOM 0 HB2 LEU A 24 12.589 5.658 2.815 1.00 11.22 H new ATOM 0 HB3 LEU A 24 11.407 4.373 2.666 1.00 11.22 H new ATOM 0 HG LEU A 24 12.902 3.859 4.471 1.00 51.41 H new ATOM 0 HD11 LEU A 24 13.779 1.664 3.748 1.00 52.45 H new ATOM 0 HD12 LEU A 24 12.136 1.960 3.131 1.00 52.45 H new ATOM 0 HD13 LEU A 24 13.539 2.137 2.050 1.00 52.45 H new ATOM 0 HD21 LEU A 24 15.321 3.536 4.152 1.00 3.13 H new ATOM 0 HD22 LEU A 24 15.168 4.099 2.470 1.00 3.13 H new ATOM 0 HD23 LEU A 24 14.821 5.210 3.816 1.00 3.13 H new ATOM 372 N LYS A 25 11.395 6.292 0.193 1.00 32.21 N ATOM 373 CA LYS A 25 10.318 6.902 -0.573 1.00 72.52 C ATOM 374 C LYS A 25 10.424 6.529 -2.043 1.00 53.22 C ATOM 375 O LYS A 25 9.473 6.018 -2.634 1.00 55.24 O ATOM 376 CB LYS A 25 10.359 8.424 -0.440 1.00 4.14 C ATOM 377 CG LYS A 25 10.020 8.942 0.946 1.00 13.33 C ATOM 378 CD LYS A 25 10.098 10.462 0.990 1.00 64.34 C ATOM 379 CE LYS A 25 9.221 11.090 -0.085 1.00 4.03 C ATOM 380 NZ LYS A 25 9.457 12.552 -0.224 1.00 11.03 N ATOM 0 H LYS A 25 11.966 6.956 0.715 1.00 32.21 H new ATOM 0 HA LYS A 25 9.375 6.528 -0.174 1.00 72.52 H new ATOM 0 HB2 LYS A 25 11.355 8.773 -0.712 1.00 4.14 H new ATOM 0 HB3 LYS A 25 9.662 8.858 -1.157 1.00 4.14 H new ATOM 0 HG2 LYS A 25 9.018 8.617 1.226 1.00 13.33 H new ATOM 0 HG3 LYS A 25 10.708 8.517 1.676 1.00 13.33 H new ATOM 0 HD2 LYS A 25 9.784 10.817 1.972 1.00 64.34 H new ATOM 0 HD3 LYS A 25 11.131 10.780 0.851 1.00 64.34 H new ATOM 0 HE2 LYS A 25 9.414 10.601 -1.040 1.00 4.03 H new ATOM 0 HE3 LYS A 25 8.173 10.915 0.157 1.00 4.03 H new ATOM 0 HZ1 LYS A 25 8.838 12.935 -0.967 1.00 11.03 H new ATOM 0 HZ2 LYS A 25 9.248 13.025 0.678 1.00 11.03 H new ATOM 0 HZ3 LYS A 25 10.451 12.720 -0.481 1.00 11.03 H new ATOM 394 N ARG A 26 11.596 6.771 -2.623 1.00 13.44 N ATOM 395 CA ARG A 26 11.808 6.523 -4.042 1.00 74.45 C ATOM 396 C ARG A 26 11.716 5.042 -4.386 1.00 33.34 C ATOM 397 O ARG A 26 11.237 4.693 -5.458 1.00 64.54 O ATOM 398 CB ARG A 26 13.137 7.112 -4.509 1.00 1.40 C ATOM 399 CG ARG A 26 13.103 8.627 -4.608 1.00 1.03 C ATOM 400 CD ARG A 26 14.344 9.173 -5.289 1.00 52.22 C ATOM 401 NE ARG A 26 14.236 10.610 -5.536 1.00 70.42 N ATOM 402 CZ ARG A 26 15.190 11.343 -6.104 1.00 43.05 C ATOM 403 NH1 ARG A 26 16.343 10.783 -6.450 1.00 34.45 N ATOM 404 NH2 ARG A 26 14.990 12.636 -6.317 1.00 14.52 N ATOM 0 H ARG A 26 12.411 7.138 -2.132 1.00 13.44 H new ATOM 0 HA ARG A 26 11.004 7.027 -4.578 1.00 74.45 H new ATOM 0 HB2 ARG A 26 13.925 6.815 -3.817 1.00 1.40 H new ATOM 0 HB3 ARG A 26 13.393 6.694 -5.482 1.00 1.40 H new ATOM 0 HG2 ARG A 26 12.217 8.936 -5.164 1.00 1.03 H new ATOM 0 HG3 ARG A 26 13.018 9.055 -3.609 1.00 1.03 H new ATOM 0 HD2 ARG A 26 15.217 8.975 -4.668 1.00 52.22 H new ATOM 0 HD3 ARG A 26 14.500 8.652 -6.234 1.00 52.22 H new ATOM 0 HE ARG A 26 13.375 11.080 -5.255 1.00 70.42 H new ATOM 0 HH11 ARG A 26 16.498 9.789 -6.280 1.00 34.45 H new ATOM 0 HH12 ARG A 26 17.073 11.346 -6.885 1.00 34.45 H new ATOM 0 HH21 ARG A 26 14.106 13.067 -6.046 1.00 14.52 H new ATOM 0 HH22 ARG A 26 15.720 13.200 -6.752 1.00 14.52 H new ATOM 418 N ARG A 27 12.155 4.173 -3.481 1.00 63.30 N ATOM 419 CA ARG A 27 12.021 2.731 -3.681 1.00 72.51 C ATOM 420 C ARG A 27 10.559 2.365 -3.911 1.00 5.35 C ATOM 421 O ARG A 27 10.231 1.572 -4.795 1.00 21.31 O ATOM 422 CB ARG A 27 12.566 1.971 -2.464 1.00 71.43 C ATOM 423 CG ARG A 27 12.276 0.477 -2.476 1.00 33.21 C ATOM 424 CD ARG A 27 12.997 -0.243 -3.606 1.00 23.33 C ATOM 425 NE ARG A 27 12.585 -1.644 -3.698 1.00 74.22 N ATOM 426 CZ ARG A 27 13.363 -2.637 -4.135 1.00 73.14 C ATOM 427 NH1 ARG A 27 14.615 -2.401 -4.508 1.00 5.35 N ATOM 428 NH2 ARG A 27 12.883 -3.874 -4.191 1.00 70.21 N ATOM 0 H ARG A 27 12.605 4.439 -2.605 1.00 63.30 H new ATOM 0 HA ARG A 27 12.599 2.447 -4.560 1.00 72.51 H new ATOM 0 HB2 ARG A 27 13.645 2.119 -2.411 1.00 71.43 H new ATOM 0 HB3 ARG A 27 12.140 2.404 -1.559 1.00 71.43 H new ATOM 0 HG2 ARG A 27 12.576 0.043 -1.522 1.00 33.21 H new ATOM 0 HG3 ARG A 27 11.202 0.319 -2.574 1.00 33.21 H new ATOM 0 HD2 ARG A 27 12.790 0.261 -4.550 1.00 23.33 H new ATOM 0 HD3 ARG A 27 14.074 -0.189 -3.445 1.00 23.33 H new ATOM 0 HE ARG A 27 11.636 -1.879 -3.408 1.00 74.22 H new ATOM 0 HH11 ARG A 27 14.991 -1.454 -4.462 1.00 5.35 H new ATOM 0 HH12 ARG A 27 15.201 -3.167 -4.840 1.00 5.35 H new ATOM 0 HH21 ARG A 27 11.923 -4.062 -3.901 1.00 70.21 H new ATOM 0 HH22 ARG A 27 13.474 -4.636 -4.524 1.00 70.21 H new ATOM 442 N ILE A 28 9.691 2.969 -3.116 1.00 3.54 N ATOM 443 CA ILE A 28 8.263 2.704 -3.179 1.00 34.44 C ATOM 444 C ILE A 28 7.615 3.412 -4.370 1.00 43.13 C ATOM 445 O ILE A 28 6.934 2.789 -5.187 1.00 74.54 O ATOM 446 CB ILE A 28 7.576 3.156 -1.873 1.00 74.13 C ATOM 447 CG1 ILE A 28 8.183 2.423 -0.671 1.00 43.31 C ATOM 448 CG2 ILE A 28 6.079 2.915 -1.943 1.00 31.50 C ATOM 449 CD1 ILE A 28 7.656 2.900 0.666 1.00 53.13 C ATOM 0 H ILE A 28 9.956 3.656 -2.410 1.00 3.54 H new ATOM 0 HA ILE A 28 8.133 1.629 -3.306 1.00 34.44 H new ATOM 0 HB ILE A 28 7.743 4.226 -1.748 1.00 74.13 H new ATOM 0 HG12 ILE A 28 7.984 1.356 -0.770 1.00 43.31 H new ATOM 0 HG13 ILE A 28 9.266 2.548 -0.690 1.00 43.31 H new ATOM 0 HG21 ILE A 28 5.614 3.241 -1.012 1.00 31.50 H new ATOM 0 HG22 ILE A 28 5.658 3.479 -2.775 1.00 31.50 H new ATOM 0 HG23 ILE A 28 5.888 1.852 -2.091 1.00 31.50 H new ATOM 0 HD11 ILE A 28 8.132 2.335 1.467 1.00 53.13 H new ATOM 0 HD12 ILE A 28 7.879 3.960 0.788 1.00 53.13 H new ATOM 0 HD13 ILE A 28 6.577 2.749 0.707 1.00 53.13 H new ATOM 461 N MET A 29 7.852 4.711 -4.473 1.00 44.13 N ATOM 462 CA MET A 29 7.208 5.540 -5.492 1.00 14.23 C ATOM 463 C MET A 29 7.624 5.128 -6.902 1.00 41.51 C ATOM 464 O MET A 29 6.847 5.257 -7.848 1.00 52.33 O ATOM 465 CB MET A 29 7.513 7.021 -5.239 1.00 71.04 C ATOM 466 CG MET A 29 8.980 7.384 -5.369 1.00 63.43 C ATOM 467 SD MET A 29 9.419 7.993 -7.006 1.00 32.13 S ATOM 468 CE MET A 29 8.609 9.590 -6.983 1.00 1.45 C ATOM 0 H MET A 29 8.489 5.221 -3.861 1.00 44.13 H new ATOM 0 HA MET A 29 6.131 5.387 -5.419 1.00 14.23 H new ATOM 0 HB2 MET A 29 6.937 7.624 -5.941 1.00 71.04 H new ATOM 0 HB3 MET A 29 7.172 7.285 -4.238 1.00 71.04 H new ATOM 0 HG2 MET A 29 9.226 8.144 -4.628 1.00 63.43 H new ATOM 0 HG3 MET A 29 9.586 6.507 -5.140 1.00 63.43 H new ATOM 0 HE1 MET A 29 9.089 10.252 -7.703 1.00 1.45 H new ATOM 0 HE2 MET A 29 7.558 9.469 -7.246 1.00 1.45 H new ATOM 0 HE3 MET A 29 8.686 10.022 -5.985 1.00 1.45 H new ATOM 478 N ASP A 30 8.845 4.620 -7.035 1.00 52.22 N ATOM 479 CA ASP A 30 9.350 4.143 -8.324 1.00 64.33 C ATOM 480 C ASP A 30 8.505 2.987 -8.853 1.00 1.44 C ATOM 481 O ASP A 30 8.478 2.719 -10.055 1.00 43.50 O ATOM 482 CB ASP A 30 10.810 3.703 -8.183 1.00 3.52 C ATOM 483 CG ASP A 30 11.411 3.201 -9.479 1.00 3.22 C ATOM 484 OD1 ASP A 30 11.679 1.985 -9.577 1.00 74.01 O ATOM 485 OD2 ASP A 30 11.641 4.019 -10.395 1.00 1.12 O ATOM 0 H ASP A 30 9.507 4.527 -6.265 1.00 52.22 H new ATOM 0 HA ASP A 30 9.287 4.964 -9.039 1.00 64.33 H new ATOM 0 HB2 ASP A 30 11.402 4.542 -7.817 1.00 3.52 H new ATOM 0 HB3 ASP A 30 10.874 2.916 -7.432 1.00 3.52 H new ATOM 491 N MET A 31 7.794 2.317 -7.955 1.00 70.43 N ATOM 492 CA MET A 31 6.948 1.192 -8.332 1.00 25.44 C ATOM 493 C MET A 31 5.540 1.657 -8.692 1.00 61.22 C ATOM 494 O MET A 31 4.646 0.843 -8.916 1.00 52.25 O ATOM 495 CB MET A 31 6.888 0.166 -7.199 1.00 33.21 C ATOM 496 CG MET A 31 8.226 -0.497 -6.906 1.00 20.24 C ATOM 497 SD MET A 31 8.125 -1.692 -5.560 1.00 64.32 S ATOM 498 CE MET A 31 7.610 -0.630 -4.212 1.00 24.13 C ATOM 0 H MET A 31 7.787 2.534 -6.958 1.00 70.43 H new ATOM 0 HA MET A 31 7.388 0.724 -9.213 1.00 25.44 H new ATOM 0 HB2 MET A 31 6.529 0.657 -6.294 1.00 33.21 H new ATOM 0 HB3 MET A 31 6.159 -0.603 -7.455 1.00 33.21 H new ATOM 0 HG2 MET A 31 8.584 -0.997 -7.806 1.00 20.24 H new ATOM 0 HG3 MET A 31 8.960 0.269 -6.653 1.00 20.24 H new ATOM 0 HE1 MET A 31 8.300 -0.743 -3.376 1.00 24.13 H new ATOM 0 HE2 MET A 31 7.611 0.408 -4.546 1.00 24.13 H new ATOM 0 HE3 MET A 31 6.605 -0.908 -3.894 1.00 24.13 H new ATOM 508 N GLY A 32 5.345 2.968 -8.751 1.00 52.51 N ATOM 509 CA GLY A 32 4.050 3.503 -9.126 1.00 34.24 C ATOM 510 C GLY A 32 3.302 4.085 -7.947 1.00 12.01 C ATOM 511 O GLY A 32 2.192 4.602 -8.095 1.00 40.51 O ATOM 0 H GLY A 32 6.058 3.669 -8.547 1.00 52.51 H new ATOM 0 HA2 GLY A 32 4.185 4.275 -9.884 1.00 34.24 H new ATOM 0 HA3 GLY A 32 3.451 2.713 -9.578 1.00 34.24 H new ATOM 515 N ILE A 33 3.908 4.004 -6.773 1.00 72.42 N ATOM 516 CA ILE A 33 3.305 4.548 -5.565 1.00 45.11 C ATOM 517 C ILE A 33 3.666 6.024 -5.427 1.00 43.54 C ATOM 518 O ILE A 33 4.498 6.400 -4.604 1.00 72.33 O ATOM 519 CB ILE A 33 3.776 3.787 -4.306 1.00 70.22 C ATOM 520 CG1 ILE A 33 3.688 2.272 -4.525 1.00 33.44 C ATOM 521 CG2 ILE A 33 2.952 4.195 -3.094 1.00 63.03 C ATOM 522 CD1 ILE A 33 2.296 1.784 -4.849 1.00 43.04 C ATOM 0 H ILE A 33 4.818 3.566 -6.630 1.00 72.42 H new ATOM 0 HA ILE A 33 2.224 4.434 -5.650 1.00 45.11 H new ATOM 0 HB ILE A 33 4.818 4.049 -4.120 1.00 70.22 H new ATOM 0 HG12 ILE A 33 4.359 1.992 -5.337 1.00 33.44 H new ATOM 0 HG13 ILE A 33 4.042 1.763 -3.628 1.00 33.44 H new ATOM 0 HG21 ILE A 33 3.299 3.648 -2.217 1.00 63.03 H new ATOM 0 HG22 ILE A 33 3.064 5.265 -2.922 1.00 63.03 H new ATOM 0 HG23 ILE A 33 1.902 3.964 -3.273 1.00 63.03 H new ATOM 0 HD11 ILE A 33 2.313 0.703 -4.990 1.00 43.04 H new ATOM 0 HD12 ILE A 33 1.623 2.032 -4.028 1.00 43.04 H new ATOM 0 HD13 ILE A 33 1.946 2.264 -5.763 1.00 43.04 H new ATOM 534 N THR A 34 3.049 6.859 -6.245 1.00 71.23 N ATOM 535 CA THR A 34 3.459 8.249 -6.353 1.00 75.12 C ATOM 536 C THR A 34 2.540 9.187 -5.585 1.00 34.22 C ATOM 537 O THR A 34 2.499 10.384 -5.876 1.00 1.45 O ATOM 538 CB THR A 34 3.513 8.683 -7.828 1.00 71.01 C ATOM 539 OG1 THR A 34 2.270 8.374 -8.479 1.00 34.32 O ATOM 540 CG2 THR A 34 4.657 7.991 -8.552 1.00 14.22 C ATOM 0 H THR A 34 2.264 6.600 -6.843 1.00 71.23 H new ATOM 0 HA THR A 34 4.453 8.316 -5.910 1.00 75.12 H new ATOM 0 HB THR A 34 3.680 9.760 -7.861 1.00 71.01 H new ATOM 0 HG1 THR A 34 2.313 8.655 -9.417 1.00 34.32 H new ATOM 0 HG21 THR A 34 4.676 8.313 -9.593 1.00 14.22 H new ATOM 0 HG22 THR A 34 5.601 8.252 -8.074 1.00 14.22 H new ATOM 0 HG23 THR A 34 4.515 6.911 -8.508 1.00 14.22 H new ATOM 548 N ARG A 35 1.837 8.642 -4.592 1.00 21.52 N ATOM 549 CA ARG A 35 0.921 9.421 -3.754 1.00 55.41 C ATOM 550 C ARG A 35 -0.327 9.818 -4.547 1.00 62.14 C ATOM 551 O ARG A 35 -0.248 10.525 -5.551 1.00 42.41 O ATOM 552 CB ARG A 35 1.634 10.659 -3.188 1.00 11.32 C ATOM 553 CG ARG A 35 0.815 11.451 -2.186 1.00 23.04 C ATOM 554 CD ARG A 35 1.585 12.665 -1.695 1.00 35.21 C ATOM 555 NE ARG A 35 0.880 13.365 -0.625 1.00 75.55 N ATOM 556 CZ ARG A 35 1.059 14.652 -0.334 1.00 55.44 C ATOM 557 NH1 ARG A 35 1.920 15.381 -1.029 1.00 22.43 N ATOM 558 NH2 ARG A 35 0.380 15.214 0.655 1.00 72.40 N ATOM 0 H ARG A 35 1.885 7.653 -4.346 1.00 21.52 H new ATOM 0 HA ARG A 35 0.603 8.801 -2.916 1.00 55.41 H new ATOM 0 HB2 ARG A 35 2.562 10.343 -2.711 1.00 11.32 H new ATOM 0 HB3 ARG A 35 1.908 11.315 -4.014 1.00 11.32 H new ATOM 0 HG2 ARG A 35 -0.120 11.770 -2.646 1.00 23.04 H new ATOM 0 HG3 ARG A 35 0.553 10.815 -1.340 1.00 23.04 H new ATOM 0 HD2 ARG A 35 2.566 12.352 -1.338 1.00 35.21 H new ATOM 0 HD3 ARG A 35 1.752 13.349 -2.527 1.00 35.21 H new ATOM 0 HE ARG A 35 0.210 12.836 -0.067 1.00 75.55 H new ATOM 0 HH11 ARG A 35 2.449 14.957 -1.791 1.00 22.43 H new ATOM 0 HH12 ARG A 35 2.054 16.366 -0.802 1.00 22.43 H new ATOM 0 HH21 ARG A 35 -0.283 14.660 1.197 1.00 72.40 H new ATOM 0 HH22 ARG A 35 0.521 16.200 0.874 1.00 72.40 H new ATOM 572 N GLY A 36 -1.482 9.357 -4.090 1.00 43.45 N ATOM 573 CA GLY A 36 -2.706 9.557 -4.840 1.00 42.20 C ATOM 574 C GLY A 36 -3.000 8.364 -5.724 1.00 2.43 C ATOM 575 O GLY A 36 -3.765 8.451 -6.683 1.00 14.15 O ATOM 0 H GLY A 36 -1.594 8.848 -3.213 1.00 43.45 H new ATOM 0 HA2 GLY A 36 -3.536 9.718 -4.152 1.00 42.20 H new ATOM 0 HA3 GLY A 36 -2.620 10.455 -5.452 1.00 42.20 H new ATOM 579 N CYS A 37 -2.361 7.251 -5.400 1.00 71.33 N ATOM 580 CA CYS A 37 -2.536 6.010 -6.134 1.00 42.42 C ATOM 581 C CYS A 37 -3.311 5.006 -5.286 1.00 10.24 C ATOM 582 O CYS A 37 -3.008 4.826 -4.102 1.00 32.13 O ATOM 583 CB CYS A 37 -1.164 5.445 -6.516 1.00 11.53 C ATOM 584 SG CYS A 37 0.025 5.428 -5.150 1.00 4.21 S ATOM 0 H CYS A 37 -1.707 7.184 -4.621 1.00 71.33 H new ATOM 0 HA CYS A 37 -3.105 6.203 -7.043 1.00 42.42 H new ATOM 0 HB2 CYS A 37 -1.291 4.428 -6.888 1.00 11.53 H new ATOM 0 HB3 CYS A 37 -0.754 6.035 -7.335 1.00 11.53 H new ATOM 0 HG CYS A 37 0.309 4.199 -4.837 1.00 4.21 H new ATOM 590 N GLU A 38 -4.322 4.376 -5.877 1.00 43.14 N ATOM 591 CA GLU A 38 -5.119 3.389 -5.163 1.00 3.44 C ATOM 592 C GLU A 38 -4.391 2.053 -5.089 1.00 22.41 C ATOM 593 O GLU A 38 -3.767 1.612 -6.056 1.00 61.04 O ATOM 594 CB GLU A 38 -6.490 3.202 -5.816 1.00 60.24 C ATOM 595 CG GLU A 38 -7.339 4.462 -5.817 1.00 33.41 C ATOM 596 CD GLU A 38 -8.779 4.195 -6.202 1.00 21.20 C ATOM 597 OE1 GLU A 38 -9.674 4.425 -5.362 1.00 73.12 O ATOM 598 OE2 GLU A 38 -9.025 3.748 -7.342 1.00 63.31 O ATOM 0 H GLU A 38 -4.606 4.532 -6.844 1.00 43.14 H new ATOM 0 HA GLU A 38 -5.270 3.763 -4.151 1.00 3.44 H new ATOM 0 HB2 GLU A 38 -6.351 2.866 -6.844 1.00 60.24 H new ATOM 0 HB3 GLU A 38 -7.028 2.412 -5.293 1.00 60.24 H new ATOM 0 HG2 GLU A 38 -7.310 4.916 -4.826 1.00 33.41 H new ATOM 0 HG3 GLU A 38 -6.909 5.184 -6.511 1.00 33.41 H new ATOM 606 N ILE A 39 -4.485 1.423 -3.933 1.00 41.10 N ATOM 607 CA ILE A 39 -3.815 0.166 -3.670 1.00 63.01 C ATOM 608 C ILE A 39 -4.832 -0.939 -3.441 1.00 1.32 C ATOM 609 O ILE A 39 -5.594 -0.908 -2.472 1.00 2.44 O ATOM 610 CB ILE A 39 -2.915 0.263 -2.419 1.00 61.21 C ATOM 611 CG1 ILE A 39 -1.850 1.345 -2.599 1.00 52.25 C ATOM 612 CG2 ILE A 39 -2.265 -1.079 -2.115 1.00 31.21 C ATOM 613 CD1 ILE A 39 -0.879 1.062 -3.720 1.00 52.05 C ATOM 0 H ILE A 39 -5.032 1.772 -3.146 1.00 41.10 H new ATOM 0 HA ILE A 39 -3.201 -0.061 -4.541 1.00 63.01 H new ATOM 0 HB ILE A 39 -3.544 0.538 -1.572 1.00 61.21 H new ATOM 0 HG12 ILE A 39 -2.342 2.299 -2.789 1.00 52.25 H new ATOM 0 HG13 ILE A 39 -1.294 1.453 -1.668 1.00 52.25 H new ATOM 0 HG21 ILE A 39 -1.636 -0.986 -1.230 1.00 31.21 H new ATOM 0 HG22 ILE A 39 -3.039 -1.825 -1.934 1.00 31.21 H new ATOM 0 HG23 ILE A 39 -1.654 -1.388 -2.963 1.00 31.21 H new ATOM 0 HD11 ILE A 39 -0.154 1.873 -3.787 1.00 52.05 H new ATOM 0 HD12 ILE A 39 -0.358 0.125 -3.523 1.00 52.05 H new ATOM 0 HD13 ILE A 39 -1.423 0.983 -4.661 1.00 52.05 H new ATOM 625 N TYR A 40 -4.854 -1.906 -4.336 1.00 63.23 N ATOM 626 CA TYR A 40 -5.672 -3.087 -4.140 1.00 55.42 C ATOM 627 C TYR A 40 -4.830 -4.156 -3.459 1.00 52.23 C ATOM 628 O TYR A 40 -4.007 -4.808 -4.099 1.00 2.24 O ATOM 629 CB TYR A 40 -6.215 -3.602 -5.477 1.00 44.42 C ATOM 630 CG TYR A 40 -7.181 -4.757 -5.335 1.00 20.12 C ATOM 631 CD1 TYR A 40 -8.542 -4.531 -5.183 1.00 22.23 C ATOM 632 CD2 TYR A 40 -6.732 -6.072 -5.355 1.00 71.43 C ATOM 633 CE1 TYR A 40 -9.427 -5.583 -5.050 1.00 71.22 C ATOM 634 CE2 TYR A 40 -7.609 -7.127 -5.224 1.00 20.14 C ATOM 635 CZ TYR A 40 -8.954 -6.876 -5.074 1.00 30.14 C ATOM 636 OH TYR A 40 -9.833 -7.924 -4.942 1.00 20.15 O ATOM 0 H TYR A 40 -4.317 -1.898 -5.203 1.00 63.23 H new ATOM 0 HA TYR A 40 -6.527 -2.836 -3.512 1.00 55.42 H new ATOM 0 HB2 TYR A 40 -6.714 -2.784 -5.996 1.00 44.42 H new ATOM 0 HB3 TYR A 40 -5.379 -3.914 -6.103 1.00 44.42 H new ATOM 0 HD1 TYR A 40 -8.915 -3.517 -5.169 1.00 22.23 H new ATOM 0 HD2 TYR A 40 -5.677 -6.271 -5.475 1.00 71.43 H new ATOM 0 HE1 TYR A 40 -10.483 -5.393 -4.928 1.00 71.22 H new ATOM 0 HE2 TYR A 40 -7.244 -8.143 -5.239 1.00 20.14 H new ATOM 0 HH TYR A 40 -9.341 -8.771 -4.981 1.00 20.15 H new ATOM 646 N ILE A 41 -5.007 -4.307 -2.158 1.00 21.40 N ATOM 647 CA ILE A 41 -4.215 -5.260 -1.396 1.00 72.21 C ATOM 648 C ILE A 41 -4.647 -6.679 -1.733 1.00 65.32 C ATOM 649 O ILE A 41 -5.713 -7.131 -1.323 1.00 14.12 O ATOM 650 CB ILE A 41 -4.344 -5.014 0.119 1.00 22.03 C ATOM 651 CG1 ILE A 41 -4.183 -3.522 0.418 1.00 34.11 C ATOM 652 CG2 ILE A 41 -3.295 -5.822 0.874 1.00 71.03 C ATOM 653 CD1 ILE A 41 -4.434 -3.154 1.863 1.00 74.22 C ATOM 0 H ILE A 41 -5.689 -3.785 -1.608 1.00 21.40 H new ATOM 0 HA ILE A 41 -3.169 -5.125 -1.669 1.00 72.21 H new ATOM 0 HB ILE A 41 -5.332 -5.335 0.449 1.00 22.03 H new ATOM 0 HG12 ILE A 41 -3.174 -3.214 0.145 1.00 34.11 H new ATOM 0 HG13 ILE A 41 -4.870 -2.959 -0.214 1.00 34.11 H new ATOM 0 HG21 ILE A 41 -3.396 -5.640 1.944 1.00 71.03 H new ATOM 0 HG22 ILE A 41 -3.438 -6.883 0.671 1.00 71.03 H new ATOM 0 HG23 ILE A 41 -2.300 -5.521 0.547 1.00 71.03 H new ATOM 0 HD11 ILE A 41 -4.300 -2.080 1.994 1.00 74.22 H new ATOM 0 HD12 ILE A 41 -5.453 -3.429 2.137 1.00 74.22 H new ATOM 0 HD13 ILE A 41 -3.730 -3.688 2.502 1.00 74.22 H new ATOM 665 N ARG A 42 -3.815 -7.365 -2.498 1.00 43.45 N ATOM 666 CA ARG A 42 -4.163 -8.669 -3.037 1.00 35.41 C ATOM 667 C ARG A 42 -3.959 -9.777 -2.014 1.00 51.40 C ATOM 668 O ARG A 42 -4.882 -10.537 -1.718 1.00 45.33 O ATOM 669 CB ARG A 42 -3.319 -8.961 -4.284 1.00 25.11 C ATOM 670 CG ARG A 42 -3.497 -10.367 -4.834 1.00 3.31 C ATOM 671 CD ARG A 42 -4.853 -10.548 -5.492 1.00 11.12 C ATOM 672 NE ARG A 42 -4.932 -9.856 -6.775 1.00 13.40 N ATOM 673 CZ ARG A 42 -4.969 -10.481 -7.950 1.00 41.21 C ATOM 674 NH1 ARG A 42 -4.963 -11.810 -8.002 1.00 2.54 N ATOM 675 NH2 ARG A 42 -5.020 -9.777 -9.071 1.00 62.42 N ATOM 0 H ARG A 42 -2.886 -7.037 -2.762 1.00 43.45 H new ATOM 0 HA ARG A 42 -5.220 -8.645 -3.300 1.00 35.41 H new ATOM 0 HB2 ARG A 42 -3.577 -8.242 -5.062 1.00 25.11 H new ATOM 0 HB3 ARG A 42 -2.267 -8.806 -4.043 1.00 25.11 H new ATOM 0 HG2 ARG A 42 -2.710 -10.576 -5.559 1.00 3.31 H new ATOM 0 HG3 ARG A 42 -3.386 -11.090 -4.026 1.00 3.31 H new ATOM 0 HD2 ARG A 42 -5.046 -11.611 -5.640 1.00 11.12 H new ATOM 0 HD3 ARG A 42 -5.632 -10.172 -4.828 1.00 11.12 H new ATOM 0 HE ARG A 42 -4.960 -8.836 -6.771 1.00 13.40 H new ATOM 0 HH11 ARG A 42 -4.930 -12.354 -7.140 1.00 2.54 H new ATOM 0 HH12 ARG A 42 -4.991 -12.285 -8.904 1.00 2.54 H new ATOM 0 HH21 ARG A 42 -5.031 -8.758 -9.033 1.00 62.42 H new ATOM 0 HH22 ARG A 42 -5.048 -10.254 -9.972 1.00 62.42 H new ATOM 689 N LYS A 43 -2.754 -9.870 -1.471 1.00 42.33 N ATOM 690 CA LYS A 43 -2.385 -11.029 -0.676 1.00 1.12 C ATOM 691 C LYS A 43 -1.363 -10.670 0.397 1.00 63.02 C ATOM 692 O LYS A 43 -0.427 -9.910 0.148 1.00 22.33 O ATOM 693 CB LYS A 43 -1.816 -12.092 -1.617 1.00 11.01 C ATOM 694 CG LYS A 43 -1.629 -13.465 -0.998 1.00 43.55 C ATOM 695 CD LYS A 43 -1.160 -14.454 -2.051 1.00 30.41 C ATOM 696 CE LYS A 43 -1.070 -15.871 -1.519 1.00 13.52 C ATOM 697 NZ LYS A 43 -0.679 -16.823 -2.593 1.00 62.24 N ATOM 0 H LYS A 43 -2.023 -9.165 -1.565 1.00 42.33 H new ATOM 0 HA LYS A 43 -3.268 -11.408 -0.162 1.00 1.12 H new ATOM 0 HB2 LYS A 43 -2.478 -12.186 -2.478 1.00 11.01 H new ATOM 0 HB3 LYS A 43 -0.853 -11.745 -1.992 1.00 11.01 H new ATOM 0 HG2 LYS A 43 -0.901 -13.411 -0.189 1.00 43.55 H new ATOM 0 HG3 LYS A 43 -2.567 -13.806 -0.560 1.00 43.55 H new ATOM 0 HD2 LYS A 43 -1.846 -14.430 -2.898 1.00 30.41 H new ATOM 0 HD3 LYS A 43 -0.183 -14.147 -2.424 1.00 30.41 H new ATOM 0 HE2 LYS A 43 -0.342 -15.913 -0.709 1.00 13.52 H new ATOM 0 HE3 LYS A 43 -2.031 -16.167 -1.099 1.00 13.52 H new ATOM 0 HZ1 LYS A 43 -0.625 -17.785 -2.201 1.00 62.24 H new ATOM 0 HZ2 LYS A 43 -1.388 -16.798 -3.354 1.00 62.24 H new ATOM 0 HZ3 LYS A 43 0.249 -16.552 -2.976 1.00 62.24 H new ATOM 711 N VAL A 44 -1.554 -11.215 1.590 1.00 74.11 N ATOM 712 CA VAL A 44 -0.610 -11.028 2.682 1.00 13.12 C ATOM 713 C VAL A 44 0.008 -12.370 3.058 1.00 52.53 C ATOM 714 O VAL A 44 -0.702 -13.297 3.454 1.00 42.04 O ATOM 715 CB VAL A 44 -1.286 -10.405 3.927 1.00 75.31 C ATOM 716 CG1 VAL A 44 -0.275 -10.192 5.045 1.00 44.02 C ATOM 717 CG2 VAL A 44 -1.969 -9.093 3.571 1.00 43.01 C ATOM 0 H VAL A 44 -2.360 -11.794 1.827 1.00 74.11 H new ATOM 0 HA VAL A 44 0.163 -10.339 2.340 1.00 13.12 H new ATOM 0 HB VAL A 44 -2.045 -11.103 4.281 1.00 75.31 H new ATOM 0 HG11 VAL A 44 -0.775 -9.753 5.909 1.00 44.02 H new ATOM 0 HG12 VAL A 44 0.163 -11.150 5.327 1.00 44.02 H new ATOM 0 HG13 VAL A 44 0.512 -9.520 4.701 1.00 44.02 H new ATOM 0 HG21 VAL A 44 -2.437 -8.673 4.461 1.00 43.01 H new ATOM 0 HG22 VAL A 44 -1.230 -8.391 3.185 1.00 43.01 H new ATOM 0 HG23 VAL A 44 -2.730 -9.273 2.812 1.00 43.01 H new ATOM 727 N ALA A 45 1.322 -12.475 2.913 1.00 1.43 N ATOM 728 CA ALA A 45 2.032 -13.715 3.197 1.00 64.41 C ATOM 729 C ALA A 45 2.048 -14.014 4.694 1.00 34.42 C ATOM 730 O ALA A 45 2.096 -13.098 5.518 1.00 45.42 O ATOM 731 CB ALA A 45 3.450 -13.640 2.652 1.00 1.33 C ATOM 0 H ALA A 45 1.921 -11.712 2.598 1.00 1.43 H new ATOM 0 HA ALA A 45 1.505 -14.531 2.702 1.00 64.41 H new ATOM 0 HB1 ALA A 45 3.973 -14.571 2.869 1.00 1.33 H new ATOM 0 HB2 ALA A 45 3.418 -13.485 1.574 1.00 1.33 H new ATOM 0 HB3 ALA A 45 3.977 -12.810 3.122 1.00 1.33 H new ATOM 737 N PRO A 46 2.008 -15.307 5.062 1.00 42.04 N ATOM 738 CA PRO A 46 1.998 -15.750 6.466 1.00 24.54 C ATOM 739 C PRO A 46 3.250 -15.334 7.234 1.00 11.24 C ATOM 740 O PRO A 46 3.269 -15.351 8.462 1.00 22.34 O ATOM 741 CB PRO A 46 1.923 -17.277 6.369 1.00 54.43 C ATOM 742 CG PRO A 46 1.409 -17.554 5.000 1.00 33.22 C ATOM 743 CD PRO A 46 1.943 -16.449 4.135 1.00 4.24 C ATOM 0 HA PRO A 46 1.170 -15.299 7.013 1.00 24.54 H new ATOM 0 HB2 PRO A 46 2.903 -17.730 6.521 1.00 54.43 H new ATOM 0 HB3 PRO A 46 1.260 -17.688 7.130 1.00 54.43 H new ATOM 0 HG2 PRO A 46 1.747 -18.528 4.644 1.00 33.22 H new ATOM 0 HG3 PRO A 46 0.319 -17.570 4.987 1.00 33.22 H new ATOM 0 HD2 PRO A 46 2.923 -16.694 3.726 1.00 4.24 H new ATOM 0 HD3 PRO A 46 1.287 -16.245 3.289 1.00 4.24 H new ATOM 751 N LEU A 47 4.294 -14.953 6.510 1.00 40.34 N ATOM 752 CA LEU A 47 5.541 -14.529 7.138 1.00 21.14 C ATOM 753 C LEU A 47 5.476 -13.050 7.485 1.00 22.21 C ATOM 754 O LEU A 47 6.426 -12.476 8.017 1.00 64.44 O ATOM 755 CB LEU A 47 6.720 -14.788 6.202 1.00 73.34 C ATOM 756 CG LEU A 47 6.774 -16.195 5.614 1.00 74.51 C ATOM 757 CD1 LEU A 47 7.937 -16.325 4.644 1.00 41.14 C ATOM 758 CD2 LEU A 47 6.884 -17.237 6.717 1.00 61.43 C ATOM 0 H LEU A 47 4.304 -14.928 5.490 1.00 40.34 H new ATOM 0 HA LEU A 47 5.682 -15.104 8.053 1.00 21.14 H new ATOM 0 HB2 LEU A 47 6.681 -14.069 5.384 1.00 73.34 H new ATOM 0 HB3 LEU A 47 7.646 -14.601 6.746 1.00 73.34 H new ATOM 0 HG LEU A 47 5.847 -16.370 5.068 1.00 74.51 H new ATOM 0 HD11 LEU A 47 7.959 -17.335 4.235 1.00 41.14 H new ATOM 0 HD12 LEU A 47 7.816 -15.608 3.832 1.00 41.14 H new ATOM 0 HD13 LEU A 47 8.872 -16.125 5.168 1.00 41.14 H new ATOM 0 HD21 LEU A 47 6.921 -18.233 6.275 1.00 61.43 H new ATOM 0 HD22 LEU A 47 7.792 -17.062 7.293 1.00 61.43 H new ATOM 0 HD23 LEU A 47 6.018 -17.164 7.374 1.00 61.43 H new ATOM 770 N GLY A 48 4.345 -12.442 7.175 1.00 11.42 N ATOM 771 CA GLY A 48 4.177 -11.030 7.404 1.00 71.23 C ATOM 772 C GLY A 48 4.396 -10.241 6.139 1.00 50.54 C ATOM 773 O GLY A 48 3.786 -9.192 5.931 1.00 21.03 O ATOM 0 H GLY A 48 3.535 -12.908 6.766 1.00 11.42 H new ATOM 0 HA2 GLY A 48 3.174 -10.838 7.786 1.00 71.23 H new ATOM 0 HA3 GLY A 48 4.879 -10.697 8.169 1.00 71.23 H new ATOM 777 N ASP A 49 5.280 -10.753 5.300 1.00 22.42 N ATOM 778 CA ASP A 49 5.555 -10.173 4.001 1.00 13.21 C ATOM 779 C ASP A 49 6.110 -11.260 3.081 1.00 63.33 C ATOM 780 O ASP A 49 6.452 -12.350 3.549 1.00 61.10 O ATOM 781 CB ASP A 49 6.525 -8.985 4.125 1.00 5.42 C ATOM 782 CG ASP A 49 7.955 -9.370 4.460 1.00 20.25 C ATOM 783 OD1 ASP A 49 8.188 -10.456 5.033 1.00 34.34 O ATOM 784 OD2 ASP A 49 8.856 -8.560 4.178 1.00 21.14 O ATOM 0 H ASP A 49 5.829 -11.588 5.504 1.00 22.42 H new ATOM 0 HA ASP A 49 4.633 -9.783 3.570 1.00 13.21 H new ATOM 0 HB2 ASP A 49 6.522 -8.431 3.186 1.00 5.42 H new ATOM 0 HB3 ASP A 49 6.154 -8.309 4.896 1.00 5.42 H new ATOM 790 N PRO A 50 6.194 -11.005 1.764 1.00 72.41 N ATOM 791 CA PRO A 50 5.828 -9.718 1.172 1.00 24.21 C ATOM 792 C PRO A 50 4.323 -9.497 1.125 1.00 71.22 C ATOM 793 O PRO A 50 3.536 -10.448 1.105 1.00 54.14 O ATOM 794 CB PRO A 50 6.394 -9.815 -0.244 1.00 51.03 C ATOM 795 CG PRO A 50 6.363 -11.267 -0.557 1.00 13.24 C ATOM 796 CD PRO A 50 6.642 -11.971 0.742 1.00 70.34 C ATOM 0 HA PRO A 50 6.215 -8.880 1.753 1.00 24.21 H new ATOM 0 HB2 PRO A 50 5.794 -9.243 -0.952 1.00 51.03 H new ATOM 0 HB3 PRO A 50 7.408 -9.419 -0.294 1.00 51.03 H new ATOM 0 HG2 PRO A 50 5.394 -11.560 -0.960 1.00 13.24 H new ATOM 0 HG3 PRO A 50 7.111 -11.521 -1.308 1.00 13.24 H new ATOM 0 HD2 PRO A 50 6.096 -12.912 0.813 1.00 70.34 H new ATOM 0 HD3 PRO A 50 7.701 -12.207 0.851 1.00 70.34 H new ATOM 804 N ILE A 51 3.934 -8.239 1.125 1.00 65.54 N ATOM 805 CA ILE A 51 2.545 -7.876 0.958 1.00 25.01 C ATOM 806 C ILE A 51 2.292 -7.594 -0.514 1.00 11.21 C ATOM 807 O ILE A 51 2.810 -6.623 -1.074 1.00 73.44 O ATOM 808 CB ILE A 51 2.162 -6.647 1.814 1.00 71.52 C ATOM 809 CG1 ILE A 51 2.415 -6.942 3.296 1.00 25.41 C ATOM 810 CG2 ILE A 51 0.703 -6.266 1.583 1.00 1.31 C ATOM 811 CD1 ILE A 51 2.101 -5.783 4.219 1.00 25.42 C ATOM 0 H ILE A 51 4.566 -7.447 1.240 1.00 65.54 H new ATOM 0 HA ILE A 51 1.924 -8.705 1.298 1.00 25.01 H new ATOM 0 HB ILE A 51 2.784 -5.803 1.514 1.00 71.52 H new ATOM 0 HG12 ILE A 51 1.814 -7.802 3.592 1.00 25.41 H new ATOM 0 HG13 ILE A 51 3.460 -7.224 3.426 1.00 25.41 H new ATOM 0 HG21 ILE A 51 0.452 -5.399 2.194 1.00 1.31 H new ATOM 0 HG22 ILE A 51 0.552 -6.024 0.531 1.00 1.31 H new ATOM 0 HG23 ILE A 51 0.061 -7.102 1.859 1.00 1.31 H new ATOM 0 HD11 ILE A 51 2.307 -6.073 5.250 1.00 25.42 H new ATOM 0 HD12 ILE A 51 2.721 -4.927 3.952 1.00 25.42 H new ATOM 0 HD13 ILE A 51 1.049 -5.514 4.121 1.00 25.42 H new ATOM 823 N GLN A 52 1.530 -8.472 -1.139 1.00 15.42 N ATOM 824 CA GLN A 52 1.294 -8.406 -2.567 1.00 11.10 C ATOM 825 C GLN A 52 0.132 -7.473 -2.850 1.00 72.40 C ATOM 826 O GLN A 52 -1.010 -7.762 -2.485 1.00 22.41 O ATOM 827 CB GLN A 52 0.994 -9.802 -3.109 1.00 32.05 C ATOM 828 CG GLN A 52 1.377 -9.992 -4.566 1.00 23.30 C ATOM 829 CD GLN A 52 1.072 -11.391 -5.071 1.00 1.25 C ATOM 830 OE1 GLN A 52 0.090 -12.013 -4.666 1.00 54.03 O ATOM 831 NE2 GLN A 52 1.934 -11.906 -5.930 1.00 71.41 N ATOM 0 H GLN A 52 1.059 -9.247 -0.672 1.00 15.42 H new ATOM 0 HA GLN A 52 2.186 -8.022 -3.062 1.00 11.10 H new ATOM 0 HB2 GLN A 52 1.525 -10.537 -2.505 1.00 32.05 H new ATOM 0 HB3 GLN A 52 -0.071 -10.005 -2.994 1.00 32.05 H new ATOM 0 HG2 GLN A 52 0.842 -9.264 -5.177 1.00 23.30 H new ATOM 0 HG3 GLN A 52 2.441 -9.789 -4.688 1.00 23.30 H new ATOM 0 HE21 GLN A 52 2.735 -11.356 -6.240 1.00 71.41 H new ATOM 0 HE22 GLN A 52 1.798 -12.853 -6.283 1.00 71.41 H new ATOM 840 N ILE A 53 0.422 -6.349 -3.477 1.00 3.32 N ATOM 841 CA ILE A 53 -0.603 -5.369 -3.777 1.00 73.33 C ATOM 842 C ILE A 53 -0.692 -5.123 -5.274 1.00 61.23 C ATOM 843 O ILE A 53 0.293 -5.269 -6.003 1.00 21.51 O ATOM 844 CB ILE A 53 -0.355 -4.030 -3.050 1.00 44.30 C ATOM 845 CG1 ILE A 53 1.015 -3.456 -3.421 1.00 35.02 C ATOM 846 CG2 ILE A 53 -0.470 -4.219 -1.543 1.00 53.03 C ATOM 847 CD1 ILE A 53 1.282 -2.087 -2.833 1.00 72.13 C ATOM 0 H ILE A 53 1.359 -6.092 -3.788 1.00 3.32 H new ATOM 0 HA ILE A 53 -1.547 -5.781 -3.419 1.00 73.33 H new ATOM 0 HB ILE A 53 -1.116 -3.318 -3.369 1.00 44.30 H new ATOM 0 HG12 ILE A 53 1.790 -4.144 -3.084 1.00 35.02 H new ATOM 0 HG13 ILE A 53 1.092 -3.396 -4.507 1.00 35.02 H new ATOM 0 HG21 ILE A 53 -0.293 -3.267 -1.042 1.00 53.03 H new ATOM 0 HG22 ILE A 53 -1.469 -4.578 -1.297 1.00 53.03 H new ATOM 0 HG23 ILE A 53 0.270 -4.947 -1.210 1.00 53.03 H new ATOM 0 HD11 ILE A 53 2.271 -1.746 -3.139 1.00 72.13 H new ATOM 0 HD12 ILE A 53 0.529 -1.384 -3.190 1.00 72.13 H new ATOM 0 HD13 ILE A 53 1.238 -2.143 -1.745 1.00 72.13 H new ATOM 859 N ASN A 54 -1.883 -4.777 -5.730 1.00 42.14 N ATOM 860 CA ASN A 54 -2.109 -4.482 -7.132 1.00 51.23 C ATOM 861 C ASN A 54 -2.052 -2.987 -7.375 1.00 34.40 C ATOM 862 O ASN A 54 -2.929 -2.236 -6.940 1.00 32.30 O ATOM 863 CB ASN A 54 -3.452 -5.047 -7.602 1.00 11.41 C ATOM 864 CG ASN A 54 -3.443 -6.561 -7.690 1.00 30.52 C ATOM 865 OD1 ASN A 54 -4.448 -7.220 -7.428 1.00 1.05 O ATOM 866 ND2 ASN A 54 -2.308 -7.125 -8.069 1.00 4.21 N ATOM 0 H ASN A 54 -2.714 -4.693 -5.144 1.00 42.14 H new ATOM 0 HA ASN A 54 -1.318 -4.961 -7.709 1.00 51.23 H new ATOM 0 HB2 ASN A 54 -4.237 -4.730 -6.915 1.00 11.41 H new ATOM 0 HB3 ASN A 54 -3.696 -4.630 -8.579 1.00 11.41 H new ATOM 0 HD21 ASN A 54 -2.246 -8.140 -8.152 1.00 4.21 H new ATOM 0 HD22 ASN A 54 -1.495 -6.545 -8.278 1.00 4.21 H new ATOM 873 N VAL A 55 -1.006 -2.567 -8.061 1.00 54.42 N ATOM 874 CA VAL A 55 -0.824 -1.170 -8.402 1.00 60.31 C ATOM 875 C VAL A 55 -0.920 -0.998 -9.906 1.00 40.34 C ATOM 876 O VAL A 55 -0.140 -1.582 -10.660 1.00 41.31 O ATOM 877 CB VAL A 55 0.534 -0.635 -7.906 1.00 14.23 C ATOM 878 CG1 VAL A 55 0.712 0.832 -8.276 1.00 3.44 C ATOM 879 CG2 VAL A 55 0.658 -0.825 -6.405 1.00 15.30 C ATOM 0 H VAL A 55 -0.263 -3.181 -8.396 1.00 54.42 H new ATOM 0 HA VAL A 55 -1.610 -0.598 -7.909 1.00 60.31 H new ATOM 0 HB VAL A 55 1.324 -1.203 -8.397 1.00 14.23 H new ATOM 0 HG11 VAL A 55 1.678 1.184 -7.914 1.00 3.44 H new ATOM 0 HG12 VAL A 55 0.668 0.942 -9.360 1.00 3.44 H new ATOM 0 HG13 VAL A 55 -0.083 1.421 -7.819 1.00 3.44 H new ATOM 0 HG21 VAL A 55 1.622 -0.443 -6.068 1.00 15.30 H new ATOM 0 HG22 VAL A 55 -0.143 -0.283 -5.902 1.00 15.30 H new ATOM 0 HG23 VAL A 55 0.584 -1.886 -6.165 1.00 15.30 H new ATOM 889 N ARG A 56 -1.918 -0.228 -10.328 1.00 75.51 N ATOM 890 CA ARG A 56 -2.180 0.041 -11.742 1.00 60.12 C ATOM 891 C ARG A 56 -2.585 -1.237 -12.477 1.00 73.33 C ATOM 892 O ARG A 56 -2.673 -1.253 -13.704 1.00 22.00 O ATOM 893 CB ARG A 56 -0.963 0.681 -12.432 1.00 35.44 C ATOM 894 CG ARG A 56 -0.410 1.906 -11.716 1.00 34.15 C ATOM 895 CD ARG A 56 -1.508 2.868 -11.285 1.00 52.25 C ATOM 896 NE ARG A 56 -2.298 3.374 -12.409 1.00 75.31 N ATOM 897 CZ ARG A 56 -2.688 4.643 -12.521 1.00 52.12 C ATOM 898 NH1 ARG A 56 -2.267 5.542 -11.641 1.00 65.34 N ATOM 899 NH2 ARG A 56 -3.475 5.013 -13.524 1.00 62.25 N ATOM 0 H ARG A 56 -2.574 0.231 -9.696 1.00 75.51 H new ATOM 0 HA ARG A 56 -3.007 0.749 -11.786 1.00 60.12 H new ATOM 0 HB2 ARG A 56 -0.173 -0.065 -12.514 1.00 35.44 H new ATOM 0 HB3 ARG A 56 -1.242 0.963 -13.447 1.00 35.44 H new ATOM 0 HG2 ARG A 56 0.155 1.588 -10.840 1.00 34.15 H new ATOM 0 HG3 ARG A 56 0.287 2.425 -12.374 1.00 34.15 H new ATOM 0 HD2 ARG A 56 -2.170 2.364 -10.581 1.00 52.25 H new ATOM 0 HD3 ARG A 56 -1.060 3.709 -10.755 1.00 52.25 H new ATOM 0 HE ARG A 56 -2.564 2.720 -13.145 1.00 75.31 H new ATOM 0 HH11 ARG A 56 -1.647 5.261 -10.882 1.00 65.34 H new ATOM 0 HH12 ARG A 56 -2.564 6.514 -11.724 1.00 65.34 H new ATOM 0 HH21 ARG A 56 -3.783 4.325 -14.211 1.00 62.25 H new ATOM 0 HH22 ARG A 56 -3.772 5.985 -13.607 1.00 62.25 H new ATOM 913 N GLY A 57 -2.845 -2.296 -11.722 1.00 2.22 N ATOM 914 CA GLY A 57 -3.226 -3.560 -12.319 1.00 1.12 C ATOM 915 C GLY A 57 -2.104 -4.580 -12.275 1.00 64.11 C ATOM 916 O GLY A 57 -2.293 -5.733 -12.658 1.00 2.21 O ATOM 0 H GLY A 57 -2.798 -2.301 -10.703 1.00 2.22 H new ATOM 0 HA2 GLY A 57 -4.096 -3.958 -11.797 1.00 1.12 H new ATOM 0 HA3 GLY A 57 -3.523 -3.395 -13.355 1.00 1.12 H new ATOM 920 N TYR A 58 -0.933 -4.157 -11.811 1.00 34.41 N ATOM 921 CA TYR A 58 0.227 -5.041 -11.725 1.00 20.10 C ATOM 922 C TYR A 58 0.382 -5.589 -10.311 1.00 74.24 C ATOM 923 O TYR A 58 -0.110 -4.995 -9.354 1.00 43.52 O ATOM 924 CB TYR A 58 1.499 -4.291 -12.132 1.00 2.14 C ATOM 925 CG TYR A 58 1.528 -3.885 -13.591 1.00 60.51 C ATOM 926 CD1 TYR A 58 0.949 -2.692 -14.010 1.00 40.13 C ATOM 927 CD2 TYR A 58 2.133 -4.692 -14.547 1.00 2.34 C ATOM 928 CE1 TYR A 58 0.974 -2.316 -15.339 1.00 14.22 C ATOM 929 CE2 TYR A 58 2.164 -4.321 -15.877 1.00 54.11 C ATOM 930 CZ TYR A 58 1.583 -3.134 -16.269 1.00 62.21 C ATOM 931 OH TYR A 58 1.611 -2.764 -17.594 1.00 53.52 O ATOM 0 H TYR A 58 -0.760 -3.205 -11.488 1.00 34.41 H new ATOM 0 HA TYR A 58 0.070 -5.875 -12.409 1.00 20.10 H new ATOM 0 HB2 TYR A 58 1.597 -3.398 -11.514 1.00 2.14 H new ATOM 0 HB3 TYR A 58 2.364 -4.920 -11.922 1.00 2.14 H new ATOM 0 HD1 TYR A 58 0.472 -2.049 -13.285 1.00 40.13 H new ATOM 0 HD2 TYR A 58 2.586 -5.625 -14.245 1.00 2.34 H new ATOM 0 HE1 TYR A 58 0.519 -1.387 -15.649 1.00 14.22 H new ATOM 0 HE2 TYR A 58 2.641 -4.958 -16.607 1.00 54.11 H new ATOM 0 HH TYR A 58 2.078 -3.450 -18.115 1.00 53.52 H new ATOM 941 N GLU A 59 1.055 -6.728 -10.182 1.00 72.10 N ATOM 942 CA GLU A 59 1.313 -7.316 -8.872 1.00 10.25 C ATOM 943 C GLU A 59 2.755 -7.052 -8.463 1.00 23.24 C ATOM 944 O GLU A 59 3.687 -7.528 -9.115 1.00 24.21 O ATOM 945 CB GLU A 59 1.073 -8.833 -8.865 1.00 61.42 C ATOM 946 CG GLU A 59 -0.259 -9.273 -9.450 1.00 21.03 C ATOM 947 CD GLU A 59 -0.244 -9.319 -10.963 1.00 52.13 C ATOM 948 OE1 GLU A 59 -1.333 -9.302 -11.571 1.00 32.52 O ATOM 949 OE2 GLU A 59 0.860 -9.371 -11.549 1.00 71.20 O ATOM 0 H GLU A 59 1.431 -7.261 -10.966 1.00 72.10 H new ATOM 0 HA GLU A 59 0.621 -6.853 -8.169 1.00 10.25 H new ATOM 0 HB2 GLU A 59 1.875 -9.316 -9.423 1.00 61.42 H new ATOM 0 HB3 GLU A 59 1.138 -9.192 -7.838 1.00 61.42 H new ATOM 0 HG2 GLU A 59 -0.513 -10.260 -9.063 1.00 21.03 H new ATOM 0 HG3 GLU A 59 -1.041 -8.589 -9.119 1.00 21.03 H new ATOM 957 N LEU A 60 2.938 -6.298 -7.396 1.00 72.54 N ATOM 958 CA LEU A 60 4.269 -6.028 -6.879 1.00 72.51 C ATOM 959 C LEU A 60 4.295 -6.231 -5.367 1.00 40.31 C ATOM 960 O LEU A 60 3.259 -6.139 -4.702 1.00 54.12 O ATOM 961 CB LEU A 60 4.734 -4.620 -7.289 1.00 64.01 C ATOM 962 CG LEU A 60 3.708 -3.496 -7.109 1.00 13.54 C ATOM 963 CD1 LEU A 60 3.726 -2.959 -5.690 1.00 22.34 C ATOM 964 CD2 LEU A 60 3.969 -2.380 -8.103 1.00 70.42 C ATOM 0 H LEU A 60 2.182 -5.861 -6.869 1.00 72.54 H new ATOM 0 HA LEU A 60 4.975 -6.734 -7.316 1.00 72.51 H new ATOM 0 HB2 LEU A 60 5.623 -4.370 -6.711 1.00 64.01 H new ATOM 0 HB3 LEU A 60 5.033 -4.648 -8.337 1.00 64.01 H new ATOM 0 HG LEU A 60 2.717 -3.909 -7.298 1.00 13.54 H new ATOM 0 HD11 LEU A 60 2.988 -2.163 -5.593 1.00 22.34 H new ATOM 0 HD12 LEU A 60 3.487 -3.763 -4.994 1.00 22.34 H new ATOM 0 HD13 LEU A 60 4.717 -2.565 -5.463 1.00 22.34 H new ATOM 0 HD21 LEU A 60 3.232 -1.589 -7.963 1.00 70.42 H new ATOM 0 HD22 LEU A 60 4.969 -1.977 -7.943 1.00 70.42 H new ATOM 0 HD23 LEU A 60 3.893 -2.771 -9.118 1.00 70.42 H new ATOM 976 N SER A 61 5.470 -6.534 -4.835 1.00 52.23 N ATOM 977 CA SER A 61 5.597 -6.928 -3.439 1.00 61.13 C ATOM 978 C SER A 61 6.244 -5.838 -2.586 1.00 1.44 C ATOM 979 O SER A 61 7.249 -5.234 -2.975 1.00 34.12 O ATOM 980 CB SER A 61 6.430 -8.207 -3.345 1.00 40.42 C ATOM 981 OG SER A 61 5.950 -9.202 -4.235 1.00 51.22 O ATOM 0 H SER A 61 6.351 -6.515 -5.350 1.00 52.23 H new ATOM 0 HA SER A 61 4.592 -7.096 -3.052 1.00 61.13 H new ATOM 0 HB2 SER A 61 7.472 -7.983 -3.575 1.00 40.42 H new ATOM 0 HB3 SER A 61 6.403 -8.586 -2.324 1.00 40.42 H new ATOM 0 HG SER A 61 6.503 -10.007 -4.154 1.00 51.22 H new ATOM 987 N LEU A 62 5.656 -5.590 -1.423 1.00 35.01 N ATOM 988 CA LEU A 62 6.231 -4.682 -0.442 1.00 23.43 C ATOM 989 C LEU A 62 6.673 -5.452 0.796 1.00 4.14 C ATOM 990 O LEU A 62 6.013 -6.405 1.212 1.00 65.35 O ATOM 991 CB LEU A 62 5.223 -3.597 -0.038 1.00 35.12 C ATOM 992 CG LEU A 62 5.219 -2.331 -0.906 1.00 14.15 C ATOM 993 CD1 LEU A 62 6.589 -1.669 -0.889 1.00 73.02 C ATOM 994 CD2 LEU A 62 4.799 -2.643 -2.333 1.00 54.31 C ATOM 0 H LEU A 62 4.772 -6.010 -1.135 1.00 35.01 H new ATOM 0 HA LEU A 62 7.097 -4.202 -0.898 1.00 23.43 H new ATOM 0 HB2 LEU A 62 4.223 -4.031 -0.058 1.00 35.12 H new ATOM 0 HB3 LEU A 62 5.424 -3.307 0.993 1.00 35.12 H new ATOM 0 HG LEU A 62 4.490 -1.639 -0.485 1.00 14.15 H new ATOM 0 HD11 LEU A 62 6.568 -0.773 -1.510 1.00 73.02 H new ATOM 0 HD12 LEU A 62 6.848 -1.396 0.134 1.00 73.02 H new ATOM 0 HD13 LEU A 62 7.333 -2.363 -1.279 1.00 73.02 H new ATOM 0 HD21 LEU A 62 4.806 -1.726 -2.923 1.00 54.31 H new ATOM 0 HD22 LEU A 62 5.495 -3.360 -2.769 1.00 54.31 H new ATOM 0 HD23 LEU A 62 3.795 -3.066 -2.332 1.00 54.31 H new ATOM 1006 N ARG A 63 7.798 -5.046 1.365 1.00 21.14 N ATOM 1007 CA ARG A 63 8.291 -5.647 2.597 1.00 53.24 C ATOM 1008 C ARG A 63 7.522 -5.082 3.787 1.00 15.12 C ATOM 1009 O ARG A 63 6.927 -4.006 3.686 1.00 21.32 O ATOM 1010 CB ARG A 63 9.791 -5.385 2.753 1.00 4.43 C ATOM 1011 CG ARG A 63 10.632 -5.974 1.630 1.00 33.52 C ATOM 1012 CD ARG A 63 10.660 -7.496 1.675 1.00 11.11 C ATOM 1013 NE ARG A 63 11.422 -7.996 2.820 1.00 52.35 N ATOM 1014 CZ ARG A 63 12.318 -8.981 2.753 1.00 64.34 C ATOM 1015 NH1 ARG A 63 12.521 -9.625 1.609 1.00 33.13 N ATOM 1016 NH2 ARG A 63 12.995 -9.333 3.839 1.00 32.00 N ATOM 0 H ARG A 63 8.388 -4.302 0.993 1.00 21.14 H new ATOM 0 HA ARG A 63 8.136 -6.725 2.556 1.00 53.24 H new ATOM 0 HB2 ARG A 63 9.961 -4.309 2.797 1.00 4.43 H new ATOM 0 HB3 ARG A 63 10.127 -5.800 3.703 1.00 4.43 H new ATOM 0 HG2 ARG A 63 10.234 -5.647 0.669 1.00 33.52 H new ATOM 0 HG3 ARG A 63 11.650 -5.591 1.700 1.00 33.52 H new ATOM 0 HD2 ARG A 63 9.640 -7.876 1.725 1.00 11.11 H new ATOM 0 HD3 ARG A 63 11.098 -7.878 0.753 1.00 11.11 H new ATOM 0 HE ARG A 63 11.257 -7.563 3.728 1.00 52.35 H new ATOM 0 HH11 ARG A 63 11.990 -9.367 0.777 1.00 33.13 H new ATOM 0 HH12 ARG A 63 13.208 -10.378 1.562 1.00 33.13 H new ATOM 0 HH21 ARG A 63 12.829 -8.850 4.722 1.00 32.00 H new ATOM 0 HH22 ARG A 63 13.681 -10.086 3.790 1.00 32.00 H new ATOM 1030 N LYS A 64 7.540 -5.794 4.911 1.00 43.50 N ATOM 1031 CA LYS A 64 6.763 -5.389 6.084 1.00 15.21 C ATOM 1032 C LYS A 64 7.138 -3.974 6.550 1.00 14.32 C ATOM 1033 O LYS A 64 6.269 -3.197 6.945 1.00 52.00 O ATOM 1034 CB LYS A 64 6.921 -6.392 7.239 1.00 60.11 C ATOM 1035 CG LYS A 64 8.342 -6.533 7.760 1.00 15.35 C ATOM 1036 CD LYS A 64 8.986 -7.843 7.334 1.00 23.45 C ATOM 1037 CE LYS A 64 8.345 -9.039 8.022 1.00 14.54 C ATOM 1038 NZ LYS A 64 8.958 -10.319 7.580 1.00 12.40 N ATOM 0 H LYS A 64 8.080 -6.650 5.036 1.00 43.50 H new ATOM 0 HA LYS A 64 5.716 -5.380 5.782 1.00 15.21 H new ATOM 0 HB2 LYS A 64 6.275 -6.085 8.061 1.00 60.11 H new ATOM 0 HB3 LYS A 64 6.571 -7.369 6.906 1.00 60.11 H new ATOM 0 HG2 LYS A 64 8.944 -5.700 7.397 1.00 15.35 H new ATOM 0 HG3 LYS A 64 8.335 -6.471 8.848 1.00 15.35 H new ATOM 0 HD2 LYS A 64 8.899 -7.956 6.253 1.00 23.45 H new ATOM 0 HD3 LYS A 64 10.050 -7.817 7.567 1.00 23.45 H new ATOM 0 HE2 LYS A 64 8.451 -8.938 9.102 1.00 14.54 H new ATOM 0 HE3 LYS A 64 7.277 -9.053 7.807 1.00 14.54 H new ATOM 0 HZ1 LYS A 64 8.401 -11.116 7.949 1.00 12.40 H new ATOM 0 HZ2 LYS A 64 8.971 -10.357 6.541 1.00 12.40 H new ATOM 0 HZ3 LYS A 64 9.931 -10.381 7.941 1.00 12.40 H new ATOM 1052 N SER A 65 8.423 -3.637 6.485 1.00 5.33 N ATOM 1053 CA SER A 65 8.881 -2.312 6.887 1.00 34.21 C ATOM 1054 C SER A 65 8.488 -1.259 5.852 1.00 4.20 C ATOM 1055 O SER A 65 8.150 -0.128 6.199 1.00 35.24 O ATOM 1056 CB SER A 65 10.396 -2.316 7.091 1.00 42.30 C ATOM 1057 OG SER A 65 10.769 -3.251 8.091 1.00 23.21 O ATOM 0 H SER A 65 9.162 -4.260 6.159 1.00 5.33 H new ATOM 0 HA SER A 65 8.398 -2.057 7.830 1.00 34.21 H new ATOM 0 HB2 SER A 65 10.893 -2.563 6.153 1.00 42.30 H new ATOM 0 HB3 SER A 65 10.731 -1.319 7.376 1.00 42.30 H new ATOM 0 HG SER A 65 11.742 -3.238 8.204 1.00 23.21 H new ATOM 1063 N ALA A 66 8.513 -1.644 4.581 1.00 23.55 N ATOM 1064 CA ALA A 66 8.189 -0.727 3.496 1.00 33.55 C ATOM 1065 C ALA A 66 6.704 -0.388 3.500 1.00 31.45 C ATOM 1066 O ALA A 66 6.317 0.749 3.244 1.00 25.34 O ATOM 1067 CB ALA A 66 8.599 -1.325 2.160 1.00 24.21 C ATOM 0 H ALA A 66 8.755 -2.587 4.277 1.00 23.55 H new ATOM 0 HA ALA A 66 8.747 0.197 3.648 1.00 33.55 H new ATOM 0 HB1 ALA A 66 8.351 -0.629 1.358 1.00 24.21 H new ATOM 0 HB2 ALA A 66 9.673 -1.512 2.159 1.00 24.21 H new ATOM 0 HB3 ALA A 66 8.067 -2.264 2.003 1.00 24.21 H new ATOM 1073 N ALA A 67 5.881 -1.384 3.811 1.00 4.13 N ATOM 1074 CA ALA A 67 4.435 -1.196 3.902 1.00 3.12 C ATOM 1075 C ALA A 67 4.088 -0.155 4.951 1.00 73.22 C ATOM 1076 O ALA A 67 3.151 0.625 4.793 1.00 20.02 O ATOM 1077 CB ALA A 67 3.766 -2.506 4.263 1.00 12.51 C ATOM 0 H ALA A 67 6.192 -2.336 4.006 1.00 4.13 H new ATOM 0 HA ALA A 67 4.078 -0.851 2.932 1.00 3.12 H new ATOM 0 HB1 ALA A 67 2.688 -2.358 4.329 1.00 12.51 H new ATOM 0 HB2 ALA A 67 3.984 -3.249 3.496 1.00 12.51 H new ATOM 0 HB3 ALA A 67 4.144 -2.855 5.224 1.00 12.51 H new ATOM 1083 N GLU A 68 4.864 -0.154 6.018 1.00 65.40 N ATOM 1084 CA GLU A 68 4.611 0.718 7.146 1.00 43.33 C ATOM 1085 C GLU A 68 5.005 2.158 6.821 1.00 20.14 C ATOM 1086 O GLU A 68 4.574 3.101 7.480 1.00 41.41 O ATOM 1087 CB GLU A 68 5.373 0.202 8.362 1.00 20.40 C ATOM 1088 CG GLU A 68 5.042 0.937 9.638 1.00 64.21 C ATOM 1089 CD GLU A 68 5.834 0.423 10.817 1.00 3.53 C ATOM 1090 OE1 GLU A 68 5.218 -0.058 11.790 1.00 23.14 O ATOM 1091 OE2 GLU A 68 7.082 0.474 10.767 1.00 61.33 O ATOM 0 H GLU A 68 5.682 -0.754 6.126 1.00 65.40 H new ATOM 0 HA GLU A 68 3.544 0.716 7.368 1.00 43.33 H new ATOM 0 HB2 GLU A 68 5.154 -0.857 8.495 1.00 20.40 H new ATOM 0 HB3 GLU A 68 6.443 0.285 8.172 1.00 20.40 H new ATOM 0 HG2 GLU A 68 5.242 2.000 9.505 1.00 64.21 H new ATOM 0 HG3 GLU A 68 3.977 0.836 9.847 1.00 64.21 H new ATOM 1099 N MET A 69 5.807 2.326 5.779 1.00 63.52 N ATOM 1100 CA MET A 69 6.209 3.654 5.336 1.00 12.45 C ATOM 1101 C MET A 69 5.114 4.272 4.476 1.00 53.30 C ATOM 1102 O MET A 69 5.148 5.460 4.155 1.00 51.00 O ATOM 1103 CB MET A 69 7.515 3.590 4.538 1.00 14.52 C ATOM 1104 CG MET A 69 8.699 3.063 5.331 1.00 14.01 C ATOM 1105 SD MET A 69 9.123 4.112 6.734 1.00 13.54 S ATOM 1106 CE MET A 69 10.503 3.199 7.425 1.00 64.23 C ATOM 0 H MET A 69 6.192 1.561 5.225 1.00 63.52 H new ATOM 0 HA MET A 69 6.370 4.273 6.219 1.00 12.45 H new ATOM 0 HB2 MET A 69 7.364 2.955 3.665 1.00 14.52 H new ATOM 0 HB3 MET A 69 7.753 4.588 4.170 1.00 14.52 H new ATOM 0 HG2 MET A 69 8.472 2.059 5.689 1.00 14.01 H new ATOM 0 HG3 MET A 69 9.563 2.979 4.672 1.00 14.01 H new ATOM 0 HE1 MET A 69 10.880 3.721 8.305 1.00 64.23 H new ATOM 0 HE2 MET A 69 10.172 2.200 7.709 1.00 64.23 H new ATOM 0 HE3 MET A 69 11.296 3.121 6.682 1.00 64.23 H new ATOM 1116 N ILE A 70 4.137 3.458 4.117 1.00 54.31 N ATOM 1117 CA ILE A 70 3.068 3.896 3.242 1.00 55.31 C ATOM 1118 C ILE A 70 1.827 4.285 4.044 1.00 63.03 C ATOM 1119 O ILE A 70 1.126 3.428 4.584 1.00 62.33 O ATOM 1120 CB ILE A 70 2.705 2.796 2.222 1.00 21.32 C ATOM 1121 CG1 ILE A 70 3.949 2.381 1.430 1.00 72.32 C ATOM 1122 CG2 ILE A 70 1.612 3.280 1.284 1.00 74.30 C ATOM 1123 CD1 ILE A 70 3.712 1.232 0.474 1.00 13.10 C ATOM 0 H ILE A 70 4.063 2.487 4.420 1.00 54.31 H new ATOM 0 HA ILE A 70 3.425 4.773 2.702 1.00 55.31 H new ATOM 0 HB ILE A 70 2.330 1.927 2.763 1.00 21.32 H new ATOM 0 HG12 ILE A 70 4.313 3.240 0.867 1.00 72.32 H new ATOM 0 HG13 ILE A 70 4.737 2.102 2.130 1.00 72.32 H new ATOM 0 HG21 ILE A 70 1.369 2.492 0.572 1.00 74.30 H new ATOM 0 HG22 ILE A 70 0.723 3.534 1.861 1.00 74.30 H new ATOM 0 HG23 ILE A 70 1.959 4.162 0.745 1.00 74.30 H new ATOM 0 HD11 ILE A 70 4.639 0.997 -0.049 1.00 13.10 H new ATOM 0 HD12 ILE A 70 3.379 0.357 1.032 1.00 13.10 H new ATOM 0 HD13 ILE A 70 2.948 1.513 -0.250 1.00 13.10 H new ATOM 1135 N GLU A 71 1.582 5.586 4.128 1.00 41.40 N ATOM 1136 CA GLU A 71 0.404 6.113 4.799 1.00 53.12 C ATOM 1137 C GLU A 71 -0.807 5.943 3.890 1.00 21.21 C ATOM 1138 O GLU A 71 -0.847 6.503 2.789 1.00 43.35 O ATOM 1139 CB GLU A 71 0.616 7.594 5.119 1.00 23.44 C ATOM 1140 CG GLU A 71 -0.481 8.234 5.955 1.00 65.01 C ATOM 1141 CD GLU A 71 -0.335 7.953 7.434 1.00 42.31 C ATOM 1142 OE1 GLU A 71 0.792 8.080 7.956 1.00 13.22 O ATOM 1143 OE2 GLU A 71 -1.351 7.647 8.090 1.00 30.30 O ATOM 0 H GLU A 71 2.192 6.302 3.734 1.00 41.40 H new ATOM 0 HA GLU A 71 0.235 5.571 5.730 1.00 53.12 H new ATOM 0 HB2 GLU A 71 1.564 7.704 5.645 1.00 23.44 H new ATOM 0 HB3 GLU A 71 0.705 8.144 4.182 1.00 23.44 H new ATOM 0 HG2 GLU A 71 -0.472 9.312 5.793 1.00 65.01 H new ATOM 0 HG3 GLU A 71 -1.450 7.868 5.615 1.00 65.01 H new ATOM 1151 N VAL A 72 -1.785 5.167 4.335 1.00 41.43 N ATOM 1152 CA VAL A 72 -2.940 4.859 3.505 1.00 0.40 C ATOM 1153 C VAL A 72 -4.246 5.249 4.184 1.00 40.03 C ATOM 1154 O VAL A 72 -4.254 5.762 5.305 1.00 3.04 O ATOM 1155 CB VAL A 72 -3.002 3.359 3.138 1.00 72.22 C ATOM 1156 CG1 VAL A 72 -1.783 2.946 2.330 1.00 32.33 C ATOM 1157 CG2 VAL A 72 -3.137 2.500 4.389 1.00 52.52 C ATOM 0 H VAL A 72 -1.802 4.741 5.262 1.00 41.43 H new ATOM 0 HA VAL A 72 -2.818 5.447 2.595 1.00 0.40 H new ATOM 0 HB VAL A 72 -3.886 3.201 2.520 1.00 72.22 H new ATOM 0 HG11 VAL A 72 -1.851 1.886 2.085 1.00 32.33 H new ATOM 0 HG12 VAL A 72 -1.741 3.529 1.410 1.00 32.33 H new ATOM 0 HG13 VAL A 72 -0.881 3.126 2.915 1.00 32.33 H new ATOM 0 HG21 VAL A 72 -3.179 1.448 4.105 1.00 52.52 H new ATOM 0 HG22 VAL A 72 -2.278 2.667 5.039 1.00 52.52 H new ATOM 0 HG23 VAL A 72 -4.051 2.770 4.919 1.00 52.52 H new ATOM 1167 N GLU A 73 -5.340 5.007 3.480 1.00 42.45 N ATOM 1168 CA GLU A 73 -6.677 5.247 3.996 1.00 64.21 C ATOM 1169 C GLU A 73 -7.655 4.305 3.302 1.00 71.21 C ATOM 1170 O GLU A 73 -7.486 3.999 2.122 1.00 71.23 O ATOM 1171 CB GLU A 73 -7.082 6.707 3.767 1.00 63.44 C ATOM 1172 CG GLU A 73 -8.483 7.042 4.254 1.00 4.35 C ATOM 1173 CD GLU A 73 -8.671 6.758 5.734 1.00 60.51 C ATOM 1174 OE1 GLU A 73 -9.135 5.646 6.078 1.00 1.20 O ATOM 1175 OE2 GLU A 73 -8.360 7.644 6.559 1.00 44.33 O ATOM 0 H GLU A 73 -5.325 4.637 2.530 1.00 42.45 H new ATOM 0 HA GLU A 73 -6.693 5.057 5.069 1.00 64.21 H new ATOM 0 HB2 GLU A 73 -6.367 7.356 4.273 1.00 63.44 H new ATOM 0 HB3 GLU A 73 -7.015 6.929 2.702 1.00 63.44 H new ATOM 0 HG2 GLU A 73 -8.689 8.095 4.061 1.00 4.35 H new ATOM 0 HG3 GLU A 73 -9.210 6.465 3.682 1.00 4.35 H new ATOM 1183 N LEU A 74 -8.662 3.847 4.034 1.00 1.24 N ATOM 1184 CA LEU A 74 -9.638 2.904 3.501 1.00 23.44 C ATOM 1185 C LEU A 74 -10.686 3.623 2.664 1.00 22.31 C ATOM 1186 O LEU A 74 -11.133 4.717 3.016 1.00 21.11 O ATOM 1187 CB LEU A 74 -10.334 2.148 4.641 1.00 24.40 C ATOM 1188 CG LEU A 74 -9.927 0.681 4.816 1.00 31.43 C ATOM 1189 CD1 LEU A 74 -10.233 -0.112 3.557 1.00 60.00 C ATOM 1190 CD2 LEU A 74 -8.456 0.570 5.175 1.00 32.31 C ATOM 0 H LEU A 74 -8.825 4.115 5.005 1.00 1.24 H new ATOM 0 HA LEU A 74 -9.103 2.195 2.869 1.00 23.44 H new ATOM 0 HB2 LEU A 74 -10.135 2.674 5.575 1.00 24.40 H new ATOM 0 HB3 LEU A 74 -11.410 2.189 4.475 1.00 24.40 H new ATOM 0 HG LEU A 74 -10.509 0.261 5.636 1.00 31.43 H new ATOM 0 HD11 LEU A 74 -9.937 -1.151 3.701 1.00 60.00 H new ATOM 0 HD12 LEU A 74 -11.302 -0.065 3.348 1.00 60.00 H new ATOM 0 HD13 LEU A 74 -9.680 0.310 2.718 1.00 60.00 H new ATOM 0 HD21 LEU A 74 -8.189 -0.480 5.294 1.00 32.31 H new ATOM 0 HD22 LEU A 74 -7.853 1.010 4.380 1.00 32.31 H new ATOM 0 HD23 LEU A 74 -8.268 1.101 6.108 1.00 32.31 H new ATOM 1202 N GLU A 75 -11.081 3.006 1.557 1.00 43.04 N ATOM 1203 CA GLU A 75 -12.153 3.551 0.734 1.00 14.22 C ATOM 1204 C GLU A 75 -13.506 3.098 1.266 1.00 10.33 C ATOM 1205 O GLU A 75 -14.549 3.594 0.845 1.00 2.52 O ATOM 1206 CB GLU A 75 -11.976 3.150 -0.740 1.00 21.15 C ATOM 1207 CG GLU A 75 -11.869 1.649 -0.998 1.00 73.23 C ATOM 1208 CD GLU A 75 -13.207 0.937 -1.039 1.00 25.24 C ATOM 1209 OE1 GLU A 75 -13.462 0.083 -0.164 1.00 31.24 O ATOM 1210 OE2 GLU A 75 -14.008 1.221 -1.954 1.00 41.30 O ATOM 0 H GLU A 75 -10.679 2.135 1.211 1.00 43.04 H new ATOM 0 HA GLU A 75 -12.109 4.639 0.786 1.00 14.22 H new ATOM 0 HB2 GLU A 75 -12.819 3.541 -1.310 1.00 21.15 H new ATOM 0 HB3 GLU A 75 -11.079 3.633 -1.126 1.00 21.15 H new ATOM 0 HG2 GLU A 75 -11.354 1.489 -1.945 1.00 73.23 H new ATOM 0 HG3 GLU A 75 -11.253 1.199 -0.220 1.00 73.23 H new ATOM 1218 N HIS A 76 -13.473 2.159 2.203 1.00 54.22 N ATOM 1219 CA HIS A 76 -14.686 1.611 2.790 1.00 32.45 C ATOM 1220 C HIS A 76 -15.025 2.347 4.085 1.00 42.30 C ATOM 1221 O HIS A 76 -14.546 1.983 5.160 1.00 1.15 O ATOM 1222 CB HIS A 76 -14.503 0.114 3.052 1.00 22.33 C ATOM 1223 CG HIS A 76 -15.778 -0.631 3.304 1.00 23.05 C ATOM 1224 ND1 HIS A 76 -16.572 -1.116 2.289 1.00 62.33 N ATOM 1225 CD2 HIS A 76 -16.384 -0.992 4.459 1.00 72.13 C ATOM 1226 CE1 HIS A 76 -17.613 -1.742 2.806 1.00 2.41 C ATOM 1227 NE2 HIS A 76 -17.521 -1.682 4.120 1.00 51.24 N ATOM 0 H HIS A 76 -12.611 1.759 2.574 1.00 54.22 H new ATOM 0 HA HIS A 76 -15.514 1.746 2.094 1.00 32.45 H new ATOM 0 HB2 HIS A 76 -13.998 -0.333 2.196 1.00 22.33 H new ATOM 0 HB3 HIS A 76 -13.846 -0.014 3.912 1.00 22.33 H new ATOM 0 HD2 HIS A 76 -16.038 -0.777 5.459 1.00 72.13 H new ATOM 0 HE1 HIS A 76 -18.404 -2.221 2.248 1.00 2.41 H new ATOM 0 HE2 HIS A 76 -18.188 -2.084 4.779 1.00 51.24 H new ATOM 1236 N HIS A 77 -15.832 3.395 3.973 1.00 74.14 N ATOM 1237 CA HIS A 77 -16.202 4.219 5.121 1.00 61.01 C ATOM 1238 C HIS A 77 -17.719 4.322 5.241 1.00 21.53 C ATOM 1239 O HIS A 77 -18.436 4.214 4.245 1.00 0.03 O ATOM 1240 CB HIS A 77 -15.601 5.628 4.999 1.00 52.40 C ATOM 1241 CG HIS A 77 -14.151 5.730 5.386 1.00 72.13 C ATOM 1242 ND1 HIS A 77 -13.468 6.930 5.436 1.00 3.21 N ATOM 1243 CD2 HIS A 77 -13.252 4.781 5.748 1.00 24.14 C ATOM 1244 CE1 HIS A 77 -12.222 6.714 5.807 1.00 54.02 C ATOM 1245 NE2 HIS A 77 -12.064 5.421 6.003 1.00 22.44 N ATOM 0 H HIS A 77 -16.247 3.697 3.092 1.00 74.14 H new ATOM 0 HA HIS A 77 -15.804 3.741 6.016 1.00 61.01 H new ATOM 0 HB2 HIS A 77 -15.713 5.968 3.969 1.00 52.40 H new ATOM 0 HB3 HIS A 77 -16.178 6.310 5.624 1.00 52.40 H new ATOM 0 HD1 HIS A 77 -13.867 7.843 5.219 1.00 3.21 H new ATOM 0 HD2 HIS A 77 -13.436 3.719 5.822 1.00 24.14 H new ATOM 0 HE1 HIS A 77 -11.460 7.469 5.930 1.00 54.02 H new ATOM 1254 N HIS A 78 -18.203 4.521 6.460 1.00 61.22 N ATOM 1255 CA HIS A 78 -19.636 4.647 6.703 1.00 25.10 C ATOM 1256 C HIS A 78 -19.960 5.908 7.495 1.00 30.44 C ATOM 1257 O HIS A 78 -19.468 6.097 8.611 1.00 3.13 O ATOM 1258 CB HIS A 78 -20.179 3.425 7.445 1.00 74.22 C ATOM 1259 CG HIS A 78 -20.258 2.194 6.599 1.00 71.43 C ATOM 1260 ND1 HIS A 78 -21.212 2.015 5.625 1.00 34.32 N ATOM 1261 CD2 HIS A 78 -19.499 1.076 6.589 1.00 70.50 C ATOM 1262 CE1 HIS A 78 -21.041 0.841 5.054 1.00 65.43 C ATOM 1263 NE2 HIS A 78 -20.007 0.247 5.620 1.00 0.01 N ATOM 0 H HIS A 78 -17.625 4.599 7.297 1.00 61.22 H new ATOM 0 HA HIS A 78 -20.118 4.714 5.728 1.00 25.10 H new ATOM 0 HB2 HIS A 78 -19.544 3.222 8.307 1.00 74.22 H new ATOM 0 HB3 HIS A 78 -21.173 3.656 7.829 1.00 74.22 H new ATOM 0 HD2 HIS A 78 -18.650 0.873 7.225 1.00 70.50 H new ATOM 0 HE1 HIS A 78 -21.645 0.433 4.257 1.00 65.43 H new ATOM 0 HE2 HIS A 78 -19.645 -0.675 5.377 1.00 0.01 H new ATOM 1272 N HIS A 79 -20.764 6.776 6.879 1.00 23.03 N ATOM 1273 CA HIS A 79 -21.303 7.988 7.516 1.00 11.15 C ATOM 1274 C HIS A 79 -20.218 9.045 7.749 1.00 23.33 C ATOM 1275 O HIS A 79 -20.499 10.142 8.234 1.00 53.14 O ATOM 1276 CB HIS A 79 -22.019 7.645 8.834 1.00 74.35 C ATOM 1277 CG HIS A 79 -22.885 8.754 9.357 1.00 61.41 C ATOM 1278 ND1 HIS A 79 -22.662 9.389 10.562 1.00 50.10 N ATOM 1279 CD2 HIS A 79 -23.985 9.338 8.829 1.00 14.10 C ATOM 1280 CE1 HIS A 79 -23.586 10.314 10.747 1.00 21.14 C ATOM 1281 NE2 HIS A 79 -24.401 10.304 9.711 1.00 55.40 N ATOM 0 H HIS A 79 -21.065 6.659 5.912 1.00 23.03 H new ATOM 0 HA HIS A 79 -22.032 8.415 6.827 1.00 11.15 H new ATOM 0 HB2 HIS A 79 -22.633 6.757 8.683 1.00 74.35 H new ATOM 0 HB3 HIS A 79 -21.273 7.393 9.587 1.00 74.35 H new ATOM 0 HD2 HIS A 79 -24.450 9.090 7.887 1.00 14.10 H new ATOM 0 HE1 HIS A 79 -23.661 10.968 11.603 1.00 21.14 H new ATOM 0 HE2 HIS A 79 -25.209 10.914 9.585 1.00 55.40 H new ATOM 1290 N HIS A 80 -18.988 8.715 7.398 1.00 20.12 N ATOM 1291 CA HIS A 80 -17.883 9.657 7.473 1.00 54.35 C ATOM 1292 C HIS A 80 -16.862 9.308 6.403 1.00 70.15 C ATOM 1293 O HIS A 80 -16.142 8.319 6.523 1.00 22.43 O ATOM 1294 CB HIS A 80 -17.231 9.638 8.865 1.00 1.32 C ATOM 1295 CG HIS A 80 -16.151 10.666 9.041 1.00 14.14 C ATOM 1296 ND1 HIS A 80 -14.823 10.347 9.223 1.00 32.33 N ATOM 1297 CD2 HIS A 80 -16.215 12.018 9.065 1.00 41.11 C ATOM 1298 CE1 HIS A 80 -14.118 11.456 9.350 1.00 22.10 C ATOM 1299 NE2 HIS A 80 -14.938 12.486 9.256 1.00 42.52 N ATOM 0 H HIS A 80 -18.726 7.791 7.054 1.00 20.12 H new ATOM 0 HA HIS A 80 -18.263 10.664 7.303 1.00 54.35 H new ATOM 0 HB2 HIS A 80 -18.001 9.800 9.619 1.00 1.32 H new ATOM 0 HB3 HIS A 80 -16.811 8.649 9.046 1.00 1.32 H new ATOM 0 HD2 HIS A 80 -17.106 12.618 8.954 1.00 41.11 H new ATOM 0 HE1 HIS A 80 -13.051 11.511 9.505 1.00 22.10 H new ATOM 0 HE2 HIS A 80 -14.668 13.468 9.315 1.00 42.52 H new ATOM 1308 N HIS A 81 -16.824 10.109 5.356 1.00 52.40 N ATOM 1309 CA HIS A 81 -15.952 9.843 4.227 1.00 74.44 C ATOM 1310 C HIS A 81 -14.545 10.337 4.532 1.00 42.54 C ATOM 1311 O HIS A 81 -13.727 9.531 5.013 1.00 38.22 O ATOM 1312 CB HIS A 81 -16.501 10.514 2.966 1.00 43.01 C ATOM 1313 CG HIS A 81 -15.806 10.097 1.704 1.00 55.43 C ATOM 1314 ND1 HIS A 81 -15.005 10.943 0.969 1.00 12.43 N ATOM 1315 CD2 HIS A 81 -15.811 8.917 1.041 1.00 13.14 C ATOM 1316 CE1 HIS A 81 -14.549 10.301 -0.091 1.00 51.30 C ATOM 1317 NE2 HIS A 81 -15.023 9.072 -0.070 1.00 24.12 N ATOM 1318 OXT HIS A 81 -14.275 11.534 4.310 1.00 38.22 O ATOM 0 H HIS A 81 -17.389 10.953 5.263 1.00 52.40 H new ATOM 0 HA HIS A 81 -15.912 8.768 4.052 1.00 74.44 H new ATOM 0 HB2 HIS A 81 -17.563 10.285 2.877 1.00 43.01 H new ATOM 0 HB3 HIS A 81 -16.417 11.595 3.075 1.00 43.01 H new ATOM 0 HD2 HIS A 81 -16.338 8.020 1.333 1.00 13.14 H new ATOM 0 HE1 HIS A 81 -13.898 10.714 -0.847 1.00 51.30 H new ATOM 0 HE2 HIS A 81 -14.834 8.352 -0.768 1.00 24.12 H new TER 1327 HIS A 81