USER MOD reduce.3.24.130724 H: found=0, std=0, add=530, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 530 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 Single : A 1 MET CE :methyl -178:sc= 0 (180deg=-0.00562) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot -75:sc= 1.15 USER MOD Single : A 12 ASN : amide:sc= -0.745 X(o=-0.75,f=-0.83) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0.00339 USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 GLN : amide:sc= -0.28 X(o=-0.28,f=-0.27) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 ASN : amide:sc= 0 X(o=0,f=-0.019) USER MOD Single : A 40 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 43 LYS NZ :NH3+ 171:sc=-0.00275 (180deg=-0.103) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 69:sc= 1.28 USER MOD Single : A 56 LYS NZ :NH3+ 166:sc=-0.00878 (180deg=-0.162) USER MOD Single : A 61 HIS : no HE2:sc= 1.14 K(o=1.1,f=-5.6!) USER MOD Single : A 62 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 63 HIS : no HD1:sc= 0.899 K(o=0.9,f=-5.2!) USER MOD Single : A 64 HIS : no HD1:sc= -0.0767 X(o=-0.077,f=-0.24) USER MOD Single : A 65 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 66 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 9.780 -4.178 5.657 1.00 40.31 N ATOM 2 CA MET A 1 10.158 -4.228 4.227 1.00 50.23 C ATOM 3 C MET A 1 8.919 -4.422 3.362 1.00 23.42 C ATOM 4 O MET A 1 8.250 -5.454 3.438 1.00 3.32 O ATOM 5 CB MET A 1 11.153 -5.368 3.987 1.00 1.25 C ATOM 6 CG MET A 1 11.698 -5.417 2.570 1.00 4.43 C ATOM 7 SD MET A 1 12.881 -6.757 2.328 1.00 15.32 S ATOM 8 CE MET A 1 13.388 -6.461 0.635 1.00 60.31 C ATOM 0 H1 MET A 1 10.633 -4.045 6.237 1.00 40.31 H new ATOM 0 H2 MET A 1 9.127 -3.385 5.816 1.00 40.31 H new ATOM 0 H3 MET A 1 9.315 -5.069 5.924 1.00 40.31 H new ATOM 0 HA MET A 1 10.630 -3.284 3.955 1.00 50.23 H new ATOM 0 HB2 MET A 1 11.985 -5.264 4.683 1.00 1.25 H new ATOM 0 HB3 MET A 1 10.666 -6.317 4.212 1.00 1.25 H new ATOM 0 HG2 MET A 1 10.871 -5.537 1.870 1.00 4.43 H new ATOM 0 HG3 MET A 1 12.178 -4.467 2.336 1.00 4.43 H new ATOM 0 HE1 MET A 1 14.094 -7.232 0.327 1.00 60.31 H new ATOM 0 HE2 MET A 1 12.514 -6.488 -0.016 1.00 60.31 H new ATOM 0 HE3 MET A 1 13.864 -5.483 0.563 1.00 60.31 H new ATOM 20 N ILE A 2 8.612 -3.428 2.542 1.00 65.44 N ATOM 21 CA ILE A 2 7.440 -3.490 1.684 1.00 31.04 C ATOM 22 C ILE A 2 7.841 -3.925 0.277 1.00 62.32 C ATOM 23 O ILE A 2 8.923 -3.581 -0.205 1.00 12.33 O ATOM 24 CB ILE A 2 6.706 -2.130 1.631 1.00 51.20 C ATOM 25 CG1 ILE A 2 6.334 -1.676 3.049 1.00 41.13 C ATOM 26 CG2 ILE A 2 5.459 -2.218 0.759 1.00 73.44 C ATOM 27 CD1 ILE A 2 5.598 -0.353 3.102 1.00 3.11 C ATOM 0 H ILE A 2 9.157 -2.571 2.453 1.00 65.44 H new ATOM 0 HA ILE A 2 6.755 -4.225 2.106 1.00 31.04 H new ATOM 0 HB ILE A 2 7.378 -1.395 1.188 1.00 51.20 H new ATOM 0 HG12 ILE A 2 5.714 -2.443 3.514 1.00 41.13 H new ATOM 0 HG13 ILE A 2 7.244 -1.597 3.644 1.00 41.13 H new ATOM 0 HG21 ILE A 2 4.961 -1.249 0.738 1.00 73.44 H new ATOM 0 HG22 ILE A 2 5.743 -2.502 -0.254 1.00 73.44 H new ATOM 0 HG23 ILE A 2 4.780 -2.966 1.169 1.00 73.44 H new ATOM 0 HD11 ILE A 2 5.372 -0.104 4.139 1.00 3.11 H new ATOM 0 HD12 ILE A 2 6.223 0.428 2.669 1.00 3.11 H new ATOM 0 HD13 ILE A 2 4.669 -0.430 2.536 1.00 3.11 H new ATOM 39 N PHE A 3 6.973 -4.686 -0.370 1.00 14.32 N ATOM 40 CA PHE A 3 7.256 -5.216 -1.694 1.00 35.45 C ATOM 41 C PHE A 3 6.290 -4.640 -2.725 1.00 20.32 C ATOM 42 O PHE A 3 5.115 -4.413 -2.428 1.00 42.44 O ATOM 43 CB PHE A 3 7.163 -6.747 -1.689 1.00 71.44 C ATOM 44 CG PHE A 3 8.176 -7.417 -0.804 1.00 11.31 C ATOM 45 CD1 PHE A 3 9.423 -7.764 -1.297 1.00 33.13 C ATOM 46 CD2 PHE A 3 7.879 -7.706 0.518 1.00 65.24 C ATOM 47 CE1 PHE A 3 10.354 -8.389 -0.489 1.00 2.40 C ATOM 48 CE2 PHE A 3 8.805 -8.329 1.331 1.00 54.40 C ATOM 49 CZ PHE A 3 10.044 -8.672 0.826 1.00 63.04 C ATOM 0 H PHE A 3 6.062 -4.952 0.003 1.00 14.32 H new ATOM 0 HA PHE A 3 8.270 -4.924 -1.966 1.00 35.45 H new ATOM 0 HB2 PHE A 3 6.164 -7.039 -1.366 1.00 71.44 H new ATOM 0 HB3 PHE A 3 7.288 -7.112 -2.708 1.00 71.44 H new ATOM 0 HD1 PHE A 3 9.671 -7.544 -2.325 1.00 33.13 H new ATOM 0 HD2 PHE A 3 6.911 -7.441 0.918 1.00 65.24 H new ATOM 0 HE1 PHE A 3 11.322 -8.656 -0.886 1.00 2.40 H new ATOM 0 HE2 PHE A 3 8.561 -8.548 2.360 1.00 54.40 H new ATOM 0 HZ PHE A 3 10.769 -9.161 1.459 1.00 63.04 H new ATOM 59 N PRO A 4 6.779 -4.381 -3.948 1.00 24.51 N ATOM 60 CA PRO A 4 5.947 -3.882 -5.041 1.00 1.42 C ATOM 61 C PRO A 4 4.878 -4.893 -5.437 1.00 21.02 C ATOM 62 O PRO A 4 5.154 -6.086 -5.570 1.00 42.32 O ATOM 63 CB PRO A 4 6.934 -3.660 -6.193 1.00 43.23 C ATOM 64 CG PRO A 4 8.283 -3.645 -5.557 1.00 54.02 C ATOM 65 CD PRO A 4 8.182 -4.548 -4.362 1.00 63.24 C ATOM 0 HA PRO A 4 5.408 -2.976 -4.764 1.00 1.42 H new ATOM 0 HB2 PRO A 4 6.858 -4.455 -6.935 1.00 43.23 H new ATOM 0 HB3 PRO A 4 6.732 -2.721 -6.709 1.00 43.23 H new ATOM 0 HG2 PRO A 4 9.046 -3.998 -6.251 1.00 54.02 H new ATOM 0 HG3 PRO A 4 8.564 -2.634 -5.261 1.00 54.02 H new ATOM 0 HD2 PRO A 4 8.409 -5.583 -4.617 1.00 63.24 H new ATOM 0 HD3 PRO A 4 8.875 -4.255 -3.573 1.00 63.24 H new ATOM 73 N GLY A 5 3.658 -4.412 -5.612 1.00 62.21 N ATOM 74 CA GLY A 5 2.554 -5.285 -5.946 1.00 52.33 C ATOM 75 C GLY A 5 1.662 -5.566 -4.755 1.00 41.31 C ATOM 76 O GLY A 5 0.626 -6.218 -4.885 1.00 21.10 O ATOM 0 H GLY A 5 3.412 -3.426 -5.528 1.00 62.21 H new ATOM 0 HA2 GLY A 5 1.962 -4.831 -6.741 1.00 52.33 H new ATOM 0 HA3 GLY A 5 2.943 -6.226 -6.336 1.00 52.33 H new ATOM 80 N ALA A 6 2.061 -5.077 -3.589 1.00 22.42 N ATOM 81 CA ALA A 6 1.278 -5.261 -2.377 1.00 4.11 C ATOM 82 C ALA A 6 0.444 -4.022 -2.082 1.00 21.34 C ATOM 83 O ALA A 6 0.720 -2.936 -2.599 1.00 12.04 O ATOM 84 CB ALA A 6 2.188 -5.583 -1.202 1.00 53.32 C ATOM 0 H ALA A 6 2.924 -4.549 -3.458 1.00 22.42 H new ATOM 0 HA ALA A 6 0.600 -6.100 -2.530 1.00 4.11 H new ATOM 0 HB1 ALA A 6 1.587 -5.718 -0.303 1.00 53.32 H new ATOM 0 HB2 ALA A 6 2.740 -6.499 -1.410 1.00 53.32 H new ATOM 0 HB3 ALA A 6 2.890 -4.763 -1.050 1.00 53.32 H new ATOM 90 N THR A 7 -0.578 -4.187 -1.261 1.00 53.23 N ATOM 91 CA THR A 7 -1.431 -3.078 -0.877 1.00 23.14 C ATOM 92 C THR A 7 -1.032 -2.558 0.498 1.00 75.13 C ATOM 93 O THR A 7 -0.848 -3.336 1.439 1.00 52.14 O ATOM 94 CB THR A 7 -2.911 -3.500 -0.849 1.00 41.20 C ATOM 95 OG1 THR A 7 -3.227 -4.223 -2.045 1.00 41.12 O ATOM 96 CG2 THR A 7 -3.823 -2.287 -0.730 1.00 63.13 C ATOM 0 H THR A 7 -0.837 -5.082 -0.846 1.00 53.23 H new ATOM 0 HA THR A 7 -1.305 -2.290 -1.619 1.00 23.14 H new ATOM 0 HB THR A 7 -3.070 -4.136 0.021 1.00 41.20 H new ATOM 0 HG1 THR A 7 -4.169 -4.493 -2.025 1.00 41.12 H new ATOM 0 HG21 THR A 7 -4.863 -2.614 -0.712 1.00 63.13 H new ATOM 0 HG22 THR A 7 -3.596 -1.750 0.191 1.00 63.13 H new ATOM 0 HG23 THR A 7 -3.664 -1.627 -1.583 1.00 63.13 H new ATOM 104 N VAL A 8 -0.886 -1.250 0.606 1.00 72.44 N ATOM 105 CA VAL A 8 -0.540 -0.622 1.869 1.00 1.32 C ATOM 106 C VAL A 8 -1.553 0.455 2.214 1.00 31.41 C ATOM 107 O VAL A 8 -2.217 0.995 1.331 1.00 2.41 O ATOM 108 CB VAL A 8 0.870 0.005 1.843 1.00 44.41 C ATOM 109 CG1 VAL A 8 1.936 -1.072 1.713 1.00 33.34 C ATOM 110 CG2 VAL A 8 0.989 1.024 0.719 1.00 62.04 C ATOM 0 H VAL A 8 -1.002 -0.598 -0.170 1.00 72.44 H new ATOM 0 HA VAL A 8 -0.549 -1.406 2.626 1.00 1.32 H new ATOM 0 HB VAL A 8 1.027 0.526 2.788 1.00 44.41 H new ATOM 0 HG11 VAL A 8 2.922 -0.608 1.697 1.00 33.34 H new ATOM 0 HG12 VAL A 8 1.870 -1.754 2.561 1.00 33.34 H new ATOM 0 HG13 VAL A 8 1.781 -1.627 0.788 1.00 33.34 H new ATOM 0 HG21 VAL A 8 1.991 1.452 0.721 1.00 62.04 H new ATOM 0 HG22 VAL A 8 0.805 0.534 -0.237 1.00 62.04 H new ATOM 0 HG23 VAL A 8 0.256 1.817 0.867 1.00 62.04 H new ATOM 120 N ARG A 9 -1.679 0.756 3.493 1.00 21.45 N ATOM 121 CA ARG A 9 -2.586 1.801 3.933 1.00 43.21 C ATOM 122 C ARG A 9 -1.787 2.999 4.425 1.00 33.01 C ATOM 123 O ARG A 9 -0.725 2.836 5.026 1.00 2.42 O ATOM 124 CB ARG A 9 -3.500 1.285 5.047 1.00 44.44 C ATOM 125 CG ARG A 9 -4.680 2.195 5.342 1.00 25.33 C ATOM 126 CD ARG A 9 -5.449 1.737 6.570 1.00 14.23 C ATOM 127 NE ARG A 9 -4.689 1.942 7.802 1.00 23.45 N ATOM 128 CZ ARG A 9 -5.210 2.419 8.930 1.00 31.34 C ATOM 129 NH1 ARG A 9 -6.506 2.695 9.003 1.00 33.44 N ATOM 130 NH2 ARG A 9 -4.429 2.601 9.991 1.00 4.04 N ATOM 0 H ARG A 9 -1.167 0.294 4.244 1.00 21.45 H new ATOM 0 HA ARG A 9 -3.208 2.104 3.091 1.00 43.21 H new ATOM 0 HB2 ARG A 9 -3.874 0.299 4.770 1.00 44.44 H new ATOM 0 HB3 ARG A 9 -2.913 1.160 5.957 1.00 44.44 H new ATOM 0 HG2 ARG A 9 -4.325 3.214 5.494 1.00 25.33 H new ATOM 0 HG3 ARG A 9 -5.348 2.216 4.481 1.00 25.33 H new ATOM 0 HD2 ARG A 9 -6.391 2.281 6.631 1.00 14.23 H new ATOM 0 HD3 ARG A 9 -5.697 0.680 6.469 1.00 14.23 H new ATOM 0 HE ARG A 9 -3.697 1.705 7.797 1.00 23.45 H new ATOM 0 HH11 ARG A 9 -7.107 2.542 8.193 1.00 33.44 H new ATOM 0 HH12 ARG A 9 -6.902 3.060 9.869 1.00 33.44 H new ATOM 0 HH21 ARG A 9 -3.436 2.375 9.938 1.00 4.04 H new ATOM 0 HH22 ARG A 9 -4.823 2.966 10.858 1.00 4.04 H new ATOM 144 N VAL A 10 -2.282 4.199 4.157 1.00 30.33 N ATOM 145 CA VAL A 10 -1.630 5.411 4.632 1.00 63.00 C ATOM 146 C VAL A 10 -1.929 5.619 6.116 1.00 15.21 C ATOM 147 O VAL A 10 -3.080 5.842 6.501 1.00 51.13 O ATOM 148 CB VAL A 10 -2.084 6.651 3.834 1.00 21.44 C ATOM 149 CG1 VAL A 10 -1.371 7.907 4.322 1.00 4.55 C ATOM 150 CG2 VAL A 10 -1.844 6.442 2.346 1.00 2.32 C ATOM 0 H VAL A 10 -3.131 4.359 3.615 1.00 30.33 H new ATOM 0 HA VAL A 10 -0.557 5.288 4.486 1.00 63.00 H new ATOM 0 HB VAL A 10 -3.153 6.787 3.997 1.00 21.44 H new ATOM 0 HG11 VAL A 10 -1.710 8.766 3.743 1.00 4.55 H new ATOM 0 HG12 VAL A 10 -1.598 8.068 5.376 1.00 4.55 H new ATOM 0 HG13 VAL A 10 -0.295 7.786 4.197 1.00 4.55 H new ATOM 0 HG21 VAL A 10 -2.170 7.326 1.797 1.00 2.32 H new ATOM 0 HG22 VAL A 10 -0.781 6.276 2.169 1.00 2.32 H new ATOM 0 HG23 VAL A 10 -2.409 5.574 2.005 1.00 2.32 H new ATOM 160 N THR A 11 -0.892 5.525 6.939 1.00 32.23 N ATOM 161 CA THR A 11 -1.043 5.648 8.381 1.00 41.10 C ATOM 162 C THR A 11 -0.902 7.103 8.828 1.00 61.24 C ATOM 163 O THR A 11 -1.334 7.473 9.922 1.00 73.44 O ATOM 164 CB THR A 11 0.005 4.787 9.111 1.00 53.13 C ATOM 165 OG1 THR A 11 0.087 3.495 8.496 1.00 34.45 O ATOM 166 CG2 THR A 11 -0.350 4.620 10.582 1.00 1.42 C ATOM 0 H THR A 11 0.066 5.363 6.629 1.00 32.23 H new ATOM 0 HA THR A 11 -2.042 5.296 8.637 1.00 41.10 H new ATOM 0 HB THR A 11 0.967 5.295 9.040 1.00 53.13 H new ATOM 0 HG1 THR A 11 -0.693 2.960 8.753 1.00 34.45 H new ATOM 0 HG21 THR A 11 0.407 4.008 11.072 1.00 1.42 H new ATOM 0 HG22 THR A 11 -0.390 5.599 11.060 1.00 1.42 H new ATOM 0 HG23 THR A 11 -1.322 4.134 10.669 1.00 1.42 H new ATOM 174 N ASN A 12 -0.300 7.926 7.976 1.00 41.44 N ATOM 175 CA ASN A 12 -0.089 9.333 8.305 1.00 54.51 C ATOM 176 C ASN A 12 -1.424 10.063 8.410 1.00 2.22 C ATOM 177 O ASN A 12 -2.078 10.335 7.404 1.00 4.12 O ATOM 178 CB ASN A 12 0.804 10.013 7.260 1.00 74.42 C ATOM 179 CG ASN A 12 1.154 11.442 7.640 1.00 74.01 C ATOM 180 OD1 ASN A 12 1.249 11.779 8.823 1.00 33.42 O ATOM 181 ND2 ASN A 12 1.340 12.294 6.645 1.00 32.14 N ATOM 0 H ASN A 12 0.049 7.647 7.059 1.00 41.44 H new ATOM 0 HA ASN A 12 0.415 9.381 9.270 1.00 54.51 H new ATOM 0 HB2 ASN A 12 1.721 9.437 7.140 1.00 74.42 H new ATOM 0 HB3 ASN A 12 0.297 10.010 6.295 1.00 74.42 H new ATOM 0 HD21 ASN A 12 1.571 13.268 6.844 1.00 32.14 H new ATOM 0 HD22 ASN A 12 1.253 11.977 5.679 1.00 32.14 H new ATOM 188 N VAL A 13 -1.811 10.379 9.639 1.00 61.21 N ATOM 189 CA VAL A 13 -3.102 11.000 9.919 1.00 3.41 C ATOM 190 C VAL A 13 -3.158 12.423 9.372 1.00 4.34 C ATOM 191 O VAL A 13 -4.217 12.916 8.975 1.00 34.24 O ATOM 192 CB VAL A 13 -3.377 11.021 11.437 1.00 41.20 C ATOM 193 CG1 VAL A 13 -4.741 11.616 11.730 1.00 71.55 C ATOM 194 CG2 VAL A 13 -3.261 9.619 12.022 1.00 33.35 C ATOM 0 H VAL A 13 -1.242 10.213 10.469 1.00 61.21 H new ATOM 0 HA VAL A 13 -3.868 10.404 9.423 1.00 3.41 H new ATOM 0 HB VAL A 13 -2.625 11.652 11.911 1.00 41.20 H new ATOM 0 HG11 VAL A 13 -4.912 11.620 12.806 1.00 71.55 H new ATOM 0 HG12 VAL A 13 -4.781 12.638 11.352 1.00 71.55 H new ATOM 0 HG13 VAL A 13 -5.511 11.018 11.242 1.00 71.55 H new ATOM 0 HG21 VAL A 13 -3.458 9.654 13.093 1.00 33.35 H new ATOM 0 HG22 VAL A 13 -3.986 8.963 11.541 1.00 33.35 H new ATOM 0 HG23 VAL A 13 -2.255 9.235 11.851 1.00 33.35 H new ATOM 204 N ASP A 14 -2.003 13.071 9.336 1.00 65.43 N ATOM 205 CA ASP A 14 -1.910 14.444 8.862 1.00 41.52 C ATOM 206 C ASP A 14 -2.273 14.541 7.383 1.00 22.13 C ATOM 207 O ASP A 14 -2.753 15.575 6.916 1.00 71.44 O ATOM 208 CB ASP A 14 -0.498 14.984 9.095 1.00 63.14 C ATOM 209 CG ASP A 14 -0.325 16.405 8.591 1.00 14.25 C ATOM 210 OD1 ASP A 14 -0.793 17.345 9.272 1.00 71.04 O ATOM 211 OD2 ASP A 14 0.287 16.586 7.517 1.00 52.13 O ATOM 0 H ASP A 14 -1.114 12.666 9.630 1.00 65.43 H new ATOM 0 HA ASP A 14 -2.622 15.048 9.425 1.00 41.52 H new ATOM 0 HB2 ASP A 14 -0.272 14.951 10.161 1.00 63.14 H new ATOM 0 HB3 ASP A 14 0.222 14.335 8.596 1.00 63.14 H new ATOM 216 N ASP A 15 -2.076 13.451 6.651 1.00 3.23 N ATOM 217 CA ASP A 15 -2.322 13.449 5.217 1.00 62.03 C ATOM 218 C ASP A 15 -3.804 13.239 4.926 1.00 52.40 C ATOM 219 O ASP A 15 -4.536 12.667 5.740 1.00 55.41 O ATOM 220 CB ASP A 15 -1.497 12.360 4.528 1.00 25.15 C ATOM 221 CG ASP A 15 -1.376 12.587 3.033 1.00 43.33 C ATOM 222 OD1 ASP A 15 -2.327 12.264 2.292 1.00 63.23 O ATOM 223 OD2 ASP A 15 -0.326 13.102 2.596 1.00 1.25 O ATOM 0 H ASP A 15 -1.748 12.561 7.026 1.00 3.23 H new ATOM 0 HA ASP A 15 -2.020 14.419 4.823 1.00 62.03 H new ATOM 0 HB2 ASP A 15 -0.501 12.328 4.970 1.00 25.15 H new ATOM 0 HB3 ASP A 15 -1.958 11.389 4.709 1.00 25.15 H new ATOM 228 N THR A 16 -4.239 13.704 3.766 1.00 54.22 N ATOM 229 CA THR A 16 -5.631 13.599 3.361 1.00 42.01 C ATOM 230 C THR A 16 -5.985 12.159 2.990 1.00 62.33 C ATOM 231 O THR A 16 -7.133 11.731 3.129 1.00 73.11 O ATOM 232 CB THR A 16 -5.910 14.519 2.158 1.00 3.11 C ATOM 233 OG1 THR A 16 -5.210 15.757 2.326 1.00 52.21 O ATOM 234 CG2 THR A 16 -7.400 14.797 2.011 1.00 42.53 C ATOM 0 H THR A 16 -3.639 14.163 3.081 1.00 54.22 H new ATOM 0 HA THR A 16 -6.248 13.907 4.205 1.00 42.01 H new ATOM 0 HB THR A 16 -5.563 14.014 1.257 1.00 3.11 H new ATOM 0 HG1 THR A 16 -5.388 16.340 1.559 1.00 52.21 H new ATOM 0 HG21 THR A 16 -7.566 15.449 1.153 1.00 42.53 H new ATOM 0 HG22 THR A 16 -7.932 13.858 1.861 1.00 42.53 H new ATOM 0 HG23 THR A 16 -7.770 15.283 2.913 1.00 42.53 H new ATOM 242 N TYR A 17 -4.985 11.403 2.542 1.00 14.32 N ATOM 243 CA TYR A 17 -5.198 10.030 2.100 1.00 64.52 C ATOM 244 C TYR A 17 -5.076 9.045 3.258 1.00 71.25 C ATOM 245 O TYR A 17 -4.833 7.855 3.055 1.00 53.05 O ATOM 246 CB TYR A 17 -4.209 9.667 0.989 1.00 64.33 C ATOM 247 CG TYR A 17 -4.407 10.465 -0.283 1.00 2.24 C ATOM 248 CD1 TYR A 17 -5.335 10.069 -1.237 1.00 33.31 C ATOM 249 CD2 TYR A 17 -3.665 11.614 -0.526 1.00 11.41 C ATOM 250 CE1 TYR A 17 -5.521 10.799 -2.397 1.00 71.22 C ATOM 251 CE2 TYR A 17 -3.845 12.347 -1.682 1.00 21.45 C ATOM 252 CZ TYR A 17 -4.770 11.936 -2.614 1.00 52.20 C ATOM 253 OH TYR A 17 -4.951 12.670 -3.766 1.00 41.33 O ATOM 0 H TYR A 17 -4.018 11.720 2.476 1.00 14.32 H new ATOM 0 HA TYR A 17 -6.213 9.962 1.708 1.00 64.52 H new ATOM 0 HB2 TYR A 17 -3.193 9.824 1.352 1.00 64.33 H new ATOM 0 HB3 TYR A 17 -4.305 8.605 0.761 1.00 64.33 H new ATOM 0 HD1 TYR A 17 -5.921 9.177 -1.071 1.00 33.31 H new ATOM 0 HD2 TYR A 17 -2.936 11.939 0.201 1.00 11.41 H new ATOM 0 HE1 TYR A 17 -6.249 10.481 -3.128 1.00 71.22 H new ATOM 0 HE2 TYR A 17 -3.262 13.240 -1.854 1.00 21.45 H new ATOM 0 HH TYR A 17 -4.345 13.440 -3.762 1.00 41.33 H new ATOM 263 N TYR A 18 -5.270 9.539 4.468 1.00 24.53 N ATOM 264 CA TYR A 18 -5.243 8.694 5.652 1.00 72.22 C ATOM 265 C TYR A 18 -6.375 7.665 5.597 1.00 74.41 C ATOM 266 O TYR A 18 -7.511 8.004 5.254 1.00 73.05 O ATOM 267 CB TYR A 18 -5.352 9.552 6.917 1.00 71.21 C ATOM 268 CG TYR A 18 -5.516 8.760 8.194 1.00 4.01 C ATOM 269 CD1 TYR A 18 -4.563 7.828 8.587 1.00 31.30 C ATOM 270 CD2 TYR A 18 -6.633 8.938 9.001 1.00 34.10 C ATOM 271 CE1 TYR A 18 -4.719 7.099 9.748 1.00 11.12 C ATOM 272 CE2 TYR A 18 -6.794 8.213 10.165 1.00 62.12 C ATOM 273 CZ TYR A 18 -5.834 7.295 10.534 1.00 11.11 C ATOM 274 OH TYR A 18 -5.989 6.568 11.693 1.00 5.10 O ATOM 0 H TYR A 18 -5.449 10.525 4.658 1.00 24.53 H new ATOM 0 HA TYR A 18 -4.294 8.158 5.680 1.00 72.22 H new ATOM 0 HB2 TYR A 18 -4.459 10.171 7.000 1.00 71.21 H new ATOM 0 HB3 TYR A 18 -6.200 10.228 6.811 1.00 71.21 H new ATOM 0 HD1 TYR A 18 -3.687 7.672 7.975 1.00 31.30 H new ATOM 0 HD2 TYR A 18 -7.388 9.655 8.713 1.00 34.10 H new ATOM 0 HE1 TYR A 18 -3.970 6.378 10.040 1.00 11.12 H new ATOM 0 HE2 TYR A 18 -7.667 8.364 10.783 1.00 62.12 H new ATOM 0 HH TYR A 18 -6.827 6.826 12.131 1.00 5.10 H new ATOM 284 N ARG A 19 -6.033 6.412 5.918 1.00 71.43 N ATOM 285 CA ARG A 19 -6.971 5.279 5.902 1.00 4.22 C ATOM 286 C ARG A 19 -7.266 4.792 4.487 1.00 72.01 C ATOM 287 O ARG A 19 -8.057 3.863 4.299 1.00 1.14 O ATOM 288 CB ARG A 19 -8.290 5.589 6.621 1.00 61.04 C ATOM 289 CG ARG A 19 -8.178 5.658 8.134 1.00 72.12 C ATOM 290 CD ARG A 19 -9.549 5.601 8.784 1.00 25.24 C ATOM 291 NE ARG A 19 -10.207 4.315 8.552 1.00 74.55 N ATOM 292 CZ ARG A 19 -11.428 4.182 8.032 1.00 43.33 C ATOM 293 NH1 ARG A 19 -12.113 5.252 7.642 1.00 33.01 N ATOM 294 NH2 ARG A 19 -11.951 2.971 7.883 1.00 5.02 N ATOM 0 H ARG A 19 -5.088 6.151 6.199 1.00 71.43 H new ATOM 0 HA ARG A 19 -6.464 4.483 6.448 1.00 4.22 H new ATOM 0 HB2 ARG A 19 -8.675 6.540 6.254 1.00 61.04 H new ATOM 0 HB3 ARG A 19 -9.022 4.825 6.357 1.00 61.04 H new ATOM 0 HG2 ARG A 19 -7.566 4.832 8.495 1.00 72.12 H new ATOM 0 HG3 ARG A 19 -7.672 6.579 8.423 1.00 72.12 H new ATOM 0 HD2 ARG A 19 -9.450 5.771 9.856 1.00 25.24 H new ATOM 0 HD3 ARG A 19 -10.172 6.404 8.390 1.00 25.24 H new ATOM 0 HE ARG A 19 -9.700 3.467 8.804 1.00 74.55 H new ATOM 0 HH11 ARG A 19 -11.705 6.182 7.740 1.00 33.01 H new ATOM 0 HH12 ARG A 19 -13.046 5.143 7.245 1.00 33.01 H new ATOM 0 HH21 ARG A 19 -11.419 2.148 8.166 1.00 5.02 H new ATOM 0 HH22 ARG A 19 -12.884 2.864 7.486 1.00 5.02 H new ATOM 308 N PHE A 20 -6.638 5.399 3.494 1.00 73.34 N ATOM 309 CA PHE A 20 -6.777 4.929 2.128 1.00 21.32 C ATOM 310 C PHE A 20 -5.781 3.817 1.852 1.00 75.13 C ATOM 311 O PHE A 20 -4.699 3.770 2.443 1.00 33.23 O ATOM 312 CB PHE A 20 -6.576 6.061 1.126 1.00 41.44 C ATOM 313 CG PHE A 20 -7.765 6.968 0.982 1.00 72.43 C ATOM 314 CD1 PHE A 20 -8.035 7.942 1.928 1.00 40.45 C ATOM 315 CD2 PHE A 20 -8.610 6.847 -0.109 1.00 72.02 C ATOM 316 CE1 PHE A 20 -9.125 8.778 1.789 1.00 11.04 C ATOM 317 CE2 PHE A 20 -9.702 7.679 -0.254 1.00 54.13 C ATOM 318 CZ PHE A 20 -9.960 8.645 0.697 1.00 74.33 C ATOM 0 H PHE A 20 -6.032 6.212 3.607 1.00 73.34 H new ATOM 0 HA PHE A 20 -7.791 4.546 2.010 1.00 21.32 H new ATOM 0 HB2 PHE A 20 -5.714 6.654 1.432 1.00 41.44 H new ATOM 0 HB3 PHE A 20 -6.339 5.633 0.152 1.00 41.44 H new ATOM 0 HD1 PHE A 20 -7.386 8.049 2.784 1.00 40.45 H new ATOM 0 HD2 PHE A 20 -8.412 6.092 -0.856 1.00 72.02 H new ATOM 0 HE1 PHE A 20 -9.324 9.535 2.533 1.00 11.04 H new ATOM 0 HE2 PHE A 20 -10.353 7.574 -1.110 1.00 54.13 H new ATOM 0 HZ PHE A 20 -10.814 9.297 0.587 1.00 74.33 H new ATOM 328 N GLU A 21 -6.159 2.928 0.956 1.00 2.10 N ATOM 329 CA GLU A 21 -5.325 1.797 0.596 1.00 62.43 C ATOM 330 C GLU A 21 -4.820 1.964 -0.828 1.00 74.52 C ATOM 331 O GLU A 21 -5.606 2.159 -1.757 1.00 51.24 O ATOM 332 CB GLU A 21 -6.106 0.489 0.735 1.00 63.21 C ATOM 333 CG GLU A 21 -6.566 0.213 2.157 1.00 62.31 C ATOM 334 CD GLU A 21 -7.332 -1.087 2.287 1.00 32.03 C ATOM 335 OE1 GLU A 21 -6.690 -2.150 2.413 1.00 1.50 O ATOM 336 OE2 GLU A 21 -8.578 -1.054 2.285 1.00 64.03 O ATOM 0 H GLU A 21 -7.048 2.968 0.458 1.00 2.10 H new ATOM 0 HA GLU A 21 -4.472 1.758 1.273 1.00 62.43 H new ATOM 0 HB2 GLU A 21 -6.976 0.522 0.079 1.00 63.21 H new ATOM 0 HB3 GLU A 21 -5.481 -0.337 0.396 1.00 63.21 H new ATOM 0 HG2 GLU A 21 -5.698 0.185 2.815 1.00 62.31 H new ATOM 0 HG3 GLU A 21 -7.196 1.035 2.496 1.00 62.31 H new ATOM 343 N GLY A 22 -3.511 1.903 -0.990 1.00 15.12 N ATOM 344 CA GLY A 22 -2.923 2.098 -2.292 1.00 15.14 C ATOM 345 C GLY A 22 -2.027 0.949 -2.681 1.00 41.33 C ATOM 346 O GLY A 22 -1.501 0.243 -1.819 1.00 30.02 O ATOM 0 H GLY A 22 -2.844 1.721 -0.240 1.00 15.12 H new ATOM 0 HA2 GLY A 22 -3.713 2.210 -3.034 1.00 15.14 H new ATOM 0 HA3 GLY A 22 -2.348 3.024 -2.296 1.00 15.14 H new ATOM 350 N LEU A 23 -1.851 0.761 -3.975 1.00 12.33 N ATOM 351 CA LEU A 23 -1.049 -0.322 -4.486 1.00 62.03 C ATOM 352 C LEU A 23 0.381 0.147 -4.723 1.00 34.21 C ATOM 353 O LEU A 23 0.621 1.035 -5.542 1.00 51.25 O ATOM 354 CB LEU A 23 -1.657 -0.850 -5.788 1.00 23.13 C ATOM 355 CG LEU A 23 -2.972 -1.633 -5.651 1.00 43.40 C ATOM 356 CD1 LEU A 23 -4.138 -0.709 -5.334 1.00 75.41 C ATOM 357 CD2 LEU A 23 -3.247 -2.421 -6.919 1.00 3.43 C ATOM 0 H LEU A 23 -2.261 1.355 -4.696 1.00 12.33 H new ATOM 0 HA LEU A 23 -1.032 -1.127 -3.752 1.00 62.03 H new ATOM 0 HB2 LEU A 23 -1.829 -0.004 -6.454 1.00 23.13 H new ATOM 0 HB3 LEU A 23 -0.923 -1.494 -6.273 1.00 23.13 H new ATOM 0 HG LEU A 23 -2.865 -2.328 -4.818 1.00 43.40 H new ATOM 0 HD11 LEU A 23 -5.053 -1.295 -5.244 1.00 75.41 H new ATOM 0 HD12 LEU A 23 -3.946 -0.190 -4.395 1.00 75.41 H new ATOM 0 HD13 LEU A 23 -4.252 0.021 -6.136 1.00 75.41 H new ATOM 0 HD21 LEU A 23 -4.181 -2.972 -6.810 1.00 3.43 H new ATOM 0 HD22 LEU A 23 -3.326 -1.736 -7.763 1.00 3.43 H new ATOM 0 HD23 LEU A 23 -2.431 -3.122 -7.096 1.00 3.43 H new ATOM 369 N VAL A 24 1.321 -0.436 -3.990 1.00 0.02 N ATOM 370 CA VAL A 24 2.732 -0.116 -4.158 1.00 61.31 C ATOM 371 C VAL A 24 3.198 -0.548 -5.537 1.00 42.41 C ATOM 372 O VAL A 24 3.356 -1.738 -5.803 1.00 54.32 O ATOM 373 CB VAL A 24 3.605 -0.808 -3.088 1.00 30.34 C ATOM 374 CG1 VAL A 24 5.073 -0.444 -3.266 1.00 3.51 C ATOM 375 CG2 VAL A 24 3.133 -0.440 -1.693 1.00 41.23 C ATOM 0 H VAL A 24 1.131 -1.135 -3.272 1.00 0.02 H new ATOM 0 HA VAL A 24 2.841 0.963 -4.045 1.00 61.31 H new ATOM 0 HB VAL A 24 3.503 -1.886 -3.215 1.00 30.34 H new ATOM 0 HG11 VAL A 24 5.667 -0.944 -2.501 1.00 3.51 H new ATOM 0 HG12 VAL A 24 5.410 -0.763 -4.252 1.00 3.51 H new ATOM 0 HG13 VAL A 24 5.194 0.635 -3.172 1.00 3.51 H new ATOM 0 HG21 VAL A 24 3.761 -0.937 -0.954 1.00 41.23 H new ATOM 0 HG22 VAL A 24 3.201 0.640 -1.559 1.00 41.23 H new ATOM 0 HG23 VAL A 24 2.098 -0.758 -1.563 1.00 41.23 H new ATOM 385 N GLN A 25 3.403 0.418 -6.414 1.00 72.02 N ATOM 386 CA GLN A 25 3.800 0.118 -7.780 1.00 42.33 C ATOM 387 C GLN A 25 5.283 -0.190 -7.847 1.00 1.34 C ATOM 388 O GLN A 25 5.721 -1.039 -8.621 1.00 35.34 O ATOM 389 CB GLN A 25 3.457 1.279 -8.712 1.00 53.11 C ATOM 390 CG GLN A 25 1.962 1.486 -8.904 1.00 50.21 C ATOM 391 CD GLN A 25 1.240 0.213 -9.311 1.00 44.11 C ATOM 392 OE1 GLN A 25 1.132 -0.108 -10.495 1.00 24.42 O ATOM 393 NE2 GLN A 25 0.727 -0.512 -8.330 1.00 43.35 N ATOM 0 H GLN A 25 3.302 1.412 -6.208 1.00 72.02 H new ATOM 0 HA GLN A 25 3.246 -0.761 -8.109 1.00 42.33 H new ATOM 0 HB2 GLN A 25 3.894 2.195 -8.314 1.00 53.11 H new ATOM 0 HB3 GLN A 25 3.918 1.102 -9.684 1.00 53.11 H new ATOM 0 HG2 GLN A 25 1.530 1.863 -7.977 1.00 50.21 H new ATOM 0 HG3 GLN A 25 1.800 2.249 -9.665 1.00 50.21 H new ATOM 0 HE21 GLN A 25 0.838 -0.211 -7.362 1.00 43.35 H new ATOM 0 HE22 GLN A 25 0.220 -1.371 -8.542 1.00 43.35 H new ATOM 402 N ARG A 26 6.047 0.488 -7.010 1.00 4.33 N ATOM 403 CA ARG A 26 7.483 0.315 -6.971 1.00 64.40 C ATOM 404 C ARG A 26 8.042 0.969 -5.721 1.00 52.20 C ATOM 405 O ARG A 26 7.538 1.997 -5.261 1.00 63.40 O ATOM 406 CB ARG A 26 8.145 0.914 -8.221 1.00 61.40 C ATOM 407 CG ARG A 26 8.028 2.427 -8.319 1.00 70.14 C ATOM 408 CD ARG A 26 8.655 2.957 -9.599 1.00 24.25 C ATOM 409 NE ARG A 26 8.621 4.419 -9.661 1.00 41.00 N ATOM 410 CZ ARG A 26 8.445 5.115 -10.784 1.00 2.05 C ATOM 411 NH1 ARG A 26 8.247 4.488 -11.936 1.00 52.12 N ATOM 412 NH2 ARG A 26 8.451 6.442 -10.749 1.00 24.21 N ATOM 0 H ARG A 26 5.689 1.171 -6.342 1.00 4.33 H new ATOM 0 HA ARG A 26 7.702 -0.753 -6.952 1.00 64.40 H new ATOM 0 HB2 ARG A 26 9.200 0.640 -8.227 1.00 61.40 H new ATOM 0 HB3 ARG A 26 7.695 0.467 -9.107 1.00 61.40 H new ATOM 0 HG2 ARG A 26 6.977 2.714 -8.282 1.00 70.14 H new ATOM 0 HG3 ARG A 26 8.514 2.886 -7.458 1.00 70.14 H new ATOM 0 HD2 ARG A 26 9.688 2.615 -9.665 1.00 24.25 H new ATOM 0 HD3 ARG A 26 8.127 2.545 -10.459 1.00 24.25 H new ATOM 0 HE ARG A 26 8.739 4.937 -8.791 1.00 41.00 H new ATOM 0 HH11 ARG A 26 8.229 3.469 -11.965 1.00 52.12 H new ATOM 0 HH12 ARG A 26 8.113 5.025 -12.793 1.00 52.12 H new ATOM 0 HH21 ARG A 26 8.590 6.928 -9.863 1.00 24.21 H new ATOM 0 HH22 ARG A 26 8.316 6.975 -11.608 1.00 24.21 H new ATOM 426 N VAL A 27 9.049 0.342 -5.159 1.00 42.22 N ATOM 427 CA VAL A 27 9.779 0.904 -4.035 1.00 14.05 C ATOM 428 C VAL A 27 10.973 1.697 -4.556 1.00 42.12 C ATOM 429 O VAL A 27 11.662 1.259 -5.476 1.00 1.33 O ATOM 430 CB VAL A 27 10.261 -0.198 -3.061 1.00 1.33 C ATOM 431 CG1 VAL A 27 11.011 0.404 -1.881 1.00 54.20 C ATOM 432 CG2 VAL A 27 9.082 -1.033 -2.576 1.00 72.52 C ATOM 0 H VAL A 27 9.389 -0.570 -5.464 1.00 42.22 H new ATOM 0 HA VAL A 27 9.107 1.561 -3.483 1.00 14.05 H new ATOM 0 HB VAL A 27 10.950 -0.848 -3.600 1.00 1.33 H new ATOM 0 HG11 VAL A 27 11.338 -0.393 -1.213 1.00 54.20 H new ATOM 0 HG12 VAL A 27 11.880 0.953 -2.244 1.00 54.20 H new ATOM 0 HG13 VAL A 27 10.353 1.084 -1.340 1.00 54.20 H new ATOM 0 HG21 VAL A 27 9.439 -1.803 -1.892 1.00 72.52 H new ATOM 0 HG22 VAL A 27 8.369 -0.390 -2.059 1.00 72.52 H new ATOM 0 HG23 VAL A 27 8.594 -1.503 -3.429 1.00 72.52 H new ATOM 442 N SER A 28 11.193 2.872 -3.995 1.00 63.01 N ATOM 443 CA SER A 28 12.290 3.721 -4.423 1.00 13.20 C ATOM 444 C SER A 28 13.143 4.125 -3.226 1.00 42.13 C ATOM 445 O SER A 28 12.825 5.088 -2.524 1.00 33.23 O ATOM 446 CB SER A 28 11.746 4.956 -5.145 1.00 31.11 C ATOM 447 OG SER A 28 10.924 4.574 -6.237 1.00 62.42 O ATOM 0 H SER A 28 10.626 3.260 -3.241 1.00 63.01 H new ATOM 0 HA SER A 28 12.920 3.165 -5.118 1.00 13.20 H new ATOM 0 HB2 SER A 28 11.173 5.568 -4.448 1.00 31.11 H new ATOM 0 HB3 SER A 28 12.573 5.569 -5.503 1.00 31.11 H new ATOM 0 HG SER A 28 10.583 5.376 -6.686 1.00 62.42 H new ATOM 453 N ASP A 29 14.198 3.345 -2.989 1.00 23.10 N ATOM 454 CA ASP A 29 15.136 3.556 -1.883 1.00 51.32 C ATOM 455 C ASP A 29 14.477 3.274 -0.548 1.00 65.13 C ATOM 456 O ASP A 29 14.678 2.226 0.062 1.00 10.40 O ATOM 457 CB ASP A 29 15.725 4.974 -1.909 1.00 24.24 C ATOM 458 CG ASP A 29 16.671 5.230 -0.752 1.00 3.04 C ATOM 459 OD1 ASP A 29 17.863 4.885 -0.864 1.00 61.51 O ATOM 460 OD2 ASP A 29 16.226 5.786 0.274 1.00 24.33 O ATOM 0 H ASP A 29 14.429 2.537 -3.567 1.00 23.10 H new ATOM 0 HA ASP A 29 15.957 2.851 -2.013 1.00 51.32 H new ATOM 0 HB2 ASP A 29 16.256 5.127 -2.849 1.00 24.24 H new ATOM 0 HB3 ASP A 29 14.914 5.702 -1.879 1.00 24.24 H new ATOM 465 N GLY A 30 13.683 4.216 -0.133 1.00 14.54 N ATOM 466 CA GLY A 30 12.957 4.119 1.115 1.00 44.31 C ATOM 467 C GLY A 30 11.558 4.678 0.977 1.00 44.20 C ATOM 468 O GLY A 30 10.856 4.901 1.963 1.00 4.34 O ATOM 0 H GLY A 30 13.515 5.081 -0.647 1.00 14.54 H new ATOM 0 HA2 GLY A 30 12.906 3.077 1.429 1.00 44.31 H new ATOM 0 HA3 GLY A 30 13.493 4.661 1.894 1.00 44.31 H new ATOM 472 N LYS A 31 11.169 4.917 -0.264 1.00 74.02 N ATOM 473 CA LYS A 31 9.874 5.454 -0.587 1.00 21.22 C ATOM 474 C LYS A 31 9.072 4.418 -1.365 1.00 11.42 C ATOM 475 O LYS A 31 9.632 3.439 -1.853 1.00 0.45 O ATOM 476 CB LYS A 31 10.067 6.709 -1.431 1.00 23.25 C ATOM 477 CG LYS A 31 10.849 7.801 -0.722 1.00 62.40 C ATOM 478 CD LYS A 31 11.217 8.935 -1.665 1.00 31.24 C ATOM 479 CE LYS A 31 12.163 8.466 -2.764 1.00 14.21 C ATOM 480 NZ LYS A 31 12.582 9.583 -3.651 1.00 24.34 N ATOM 0 H LYS A 31 11.756 4.739 -1.079 1.00 74.02 H new ATOM 0 HA LYS A 31 9.331 5.704 0.324 1.00 21.22 H new ATOM 0 HB2 LYS A 31 10.585 6.442 -2.352 1.00 23.25 H new ATOM 0 HB3 LYS A 31 9.090 7.099 -1.716 1.00 23.25 H new ATOM 0 HG2 LYS A 31 10.257 8.193 0.105 1.00 62.40 H new ATOM 0 HG3 LYS A 31 11.756 7.377 -0.292 1.00 62.40 H new ATOM 0 HD2 LYS A 31 10.312 9.344 -2.114 1.00 31.24 H new ATOM 0 HD3 LYS A 31 11.686 9.741 -1.100 1.00 31.24 H new ATOM 0 HE2 LYS A 31 13.045 8.010 -2.314 1.00 14.21 H new ATOM 0 HE3 LYS A 31 11.674 7.694 -3.359 1.00 14.21 H new ATOM 0 HZ1 LYS A 31 13.225 9.222 -4.385 1.00 24.34 H new ATOM 0 HZ2 LYS A 31 11.743 10.002 -4.101 1.00 24.34 H new ATOM 0 HZ3 LYS A 31 13.072 10.308 -3.089 1.00 24.34 H new ATOM 494 N ALA A 32 7.776 4.638 -1.489 1.00 45.22 N ATOM 495 CA ALA A 32 6.915 3.733 -2.238 1.00 23.35 C ATOM 496 C ALA A 32 5.962 4.516 -3.122 1.00 51.23 C ATOM 497 O ALA A 32 5.344 5.485 -2.677 1.00 33.12 O ATOM 498 CB ALA A 32 6.133 2.834 -1.295 1.00 23.32 C ATOM 0 H ALA A 32 7.293 5.438 -1.080 1.00 45.22 H new ATOM 0 HA ALA A 32 7.546 3.108 -2.870 1.00 23.35 H new ATOM 0 HB1 ALA A 32 5.496 2.166 -1.874 1.00 23.32 H new ATOM 0 HB2 ALA A 32 6.827 2.245 -0.695 1.00 23.32 H new ATOM 0 HB3 ALA A 32 5.515 3.446 -0.638 1.00 23.32 H new ATOM 504 N ALA A 33 5.849 4.099 -4.375 1.00 42.34 N ATOM 505 CA ALA A 33 4.934 4.733 -5.302 1.00 3.41 C ATOM 506 C ALA A 33 3.548 4.145 -5.115 1.00 34.44 C ATOM 507 O ALA A 33 3.256 3.049 -5.601 1.00 30.12 O ATOM 508 CB ALA A 33 5.411 4.555 -6.734 1.00 31.21 C ATOM 0 H ALA A 33 6.382 3.324 -4.769 1.00 42.34 H new ATOM 0 HA ALA A 33 4.898 5.803 -5.099 1.00 3.41 H new ATOM 0 HB1 ALA A 33 4.710 5.039 -7.414 1.00 31.21 H new ATOM 0 HB2 ALA A 33 6.397 5.006 -6.848 1.00 31.21 H new ATOM 0 HB3 ALA A 33 5.469 3.492 -6.969 1.00 31.21 H new ATOM 514 N VAL A 34 2.709 4.859 -4.388 1.00 3.12 N ATOM 515 CA VAL A 34 1.395 4.359 -4.035 1.00 11.31 C ATOM 516 C VAL A 34 0.360 4.785 -5.066 1.00 53.23 C ATOM 517 O VAL A 34 0.131 5.975 -5.284 1.00 64.10 O ATOM 518 CB VAL A 34 0.968 4.858 -2.641 1.00 2.22 C ATOM 519 CG1 VAL A 34 -0.387 4.294 -2.251 1.00 23.21 C ATOM 520 CG2 VAL A 34 2.019 4.492 -1.607 1.00 51.32 C ATOM 0 H VAL A 34 2.916 5.791 -4.029 1.00 3.12 H new ATOM 0 HA VAL A 34 1.453 3.271 -4.016 1.00 11.31 H new ATOM 0 HB VAL A 34 0.879 5.944 -2.679 1.00 2.22 H new ATOM 0 HG11 VAL A 34 -0.664 4.662 -1.263 1.00 23.21 H new ATOM 0 HG12 VAL A 34 -1.135 4.609 -2.978 1.00 23.21 H new ATOM 0 HG13 VAL A 34 -0.336 3.205 -2.231 1.00 23.21 H new ATOM 0 HG21 VAL A 34 1.705 4.850 -0.627 1.00 51.32 H new ATOM 0 HG22 VAL A 34 2.138 3.409 -1.577 1.00 51.32 H new ATOM 0 HG23 VAL A 34 2.969 4.954 -1.875 1.00 51.32 H new ATOM 530 N LEU A 35 -0.243 3.805 -5.713 1.00 50.50 N ATOM 531 CA LEU A 35 -1.275 4.065 -6.698 1.00 13.43 C ATOM 532 C LEU A 35 -2.653 3.984 -6.060 1.00 44.50 C ATOM 533 O LEU A 35 -3.015 2.965 -5.470 1.00 50.23 O ATOM 534 CB LEU A 35 -1.184 3.051 -7.834 1.00 64.31 C ATOM 535 CG LEU A 35 -2.104 3.311 -9.022 1.00 72.21 C ATOM 536 CD1 LEU A 35 -1.744 4.618 -9.709 1.00 72.04 C ATOM 537 CD2 LEU A 35 -2.037 2.156 -10.006 1.00 33.41 C ATOM 0 H LEU A 35 -0.034 2.817 -5.573 1.00 50.50 H new ATOM 0 HA LEU A 35 -1.124 5.069 -7.094 1.00 13.43 H new ATOM 0 HB2 LEU A 35 -0.155 3.025 -8.193 1.00 64.31 H new ATOM 0 HB3 LEU A 35 -1.407 2.062 -7.434 1.00 64.31 H new ATOM 0 HG LEU A 35 -3.126 3.393 -8.651 1.00 72.21 H new ATOM 0 HD11 LEU A 35 -2.414 4.782 -10.553 1.00 72.04 H new ATOM 0 HD12 LEU A 35 -1.844 5.441 -9.001 1.00 72.04 H new ATOM 0 HD13 LEU A 35 -0.715 4.570 -10.066 1.00 72.04 H new ATOM 0 HD21 LEU A 35 -2.699 2.357 -10.848 1.00 33.41 H new ATOM 0 HD22 LEU A 35 -1.015 2.044 -10.367 1.00 33.41 H new ATOM 0 HD23 LEU A 35 -2.349 1.237 -9.510 1.00 33.41 H new ATOM 549 N PHE A 36 -3.404 5.063 -6.167 1.00 44.51 N ATOM 550 CA PHE A 36 -4.784 5.081 -5.712 1.00 3.22 C ATOM 551 C PHE A 36 -5.702 4.899 -6.911 1.00 30.50 C ATOM 552 O PHE A 36 -5.375 5.347 -8.012 1.00 54.45 O ATOM 553 CB PHE A 36 -5.107 6.396 -4.996 1.00 60.44 C ATOM 554 CG PHE A 36 -4.248 6.666 -3.793 1.00 5.13 C ATOM 555 CD1 PHE A 36 -4.528 6.062 -2.577 1.00 10.23 C ATOM 556 CD2 PHE A 36 -3.164 7.526 -3.878 1.00 31.04 C ATOM 557 CE1 PHE A 36 -3.743 6.311 -1.467 1.00 71.34 C ATOM 558 CE2 PHE A 36 -2.376 7.780 -2.772 1.00 33.44 C ATOM 559 CZ PHE A 36 -2.665 7.172 -1.566 1.00 3.11 C ATOM 0 H PHE A 36 -3.081 5.944 -6.567 1.00 44.51 H new ATOM 0 HA PHE A 36 -4.935 4.268 -5.002 1.00 3.22 H new ATOM 0 HB2 PHE A 36 -4.994 7.219 -5.702 1.00 60.44 H new ATOM 0 HB3 PHE A 36 -6.152 6.382 -4.687 1.00 60.44 H new ATOM 0 HD1 PHE A 36 -5.369 5.389 -2.496 1.00 10.23 H new ATOM 0 HD2 PHE A 36 -2.933 8.003 -4.819 1.00 31.04 H new ATOM 0 HE1 PHE A 36 -3.971 5.835 -0.525 1.00 71.34 H new ATOM 0 HE2 PHE A 36 -1.535 8.453 -2.850 1.00 33.44 H new ATOM 0 HZ PHE A 36 -2.050 7.369 -0.701 1.00 3.11 H new ATOM 569 N GLU A 37 -6.834 4.240 -6.713 1.00 52.01 N ATOM 570 CA GLU A 37 -7.727 3.951 -7.822 1.00 24.43 C ATOM 571 C GLU A 37 -9.163 4.368 -7.517 1.00 30.12 C ATOM 572 O GLU A 37 -9.750 5.153 -8.259 1.00 0.31 O ATOM 573 CB GLU A 37 -7.670 2.461 -8.174 1.00 30.40 C ATOM 574 CG GLU A 37 -8.352 2.123 -9.490 1.00 2.53 C ATOM 575 CD GLU A 37 -8.171 0.672 -9.887 1.00 34.40 C ATOM 576 OE1 GLU A 37 -7.041 0.287 -10.246 1.00 60.31 O ATOM 577 OE2 GLU A 37 -9.163 -0.092 -9.848 1.00 25.13 O ATOM 0 H GLU A 37 -7.152 3.899 -5.806 1.00 52.01 H new ATOM 0 HA GLU A 37 -7.390 4.535 -8.678 1.00 24.43 H new ATOM 0 HB2 GLU A 37 -6.627 2.147 -8.223 1.00 30.40 H new ATOM 0 HB3 GLU A 37 -8.138 1.888 -7.373 1.00 30.40 H new ATOM 0 HG2 GLU A 37 -9.416 2.343 -9.410 1.00 2.53 H new ATOM 0 HG3 GLU A 37 -7.952 2.763 -10.276 1.00 2.53 H new ATOM 584 N ASN A 38 -9.715 3.850 -6.418 1.00 74.02 N ATOM 585 CA ASN A 38 -11.122 4.075 -6.050 1.00 23.52 C ATOM 586 C ASN A 38 -12.080 3.453 -7.078 1.00 42.02 C ATOM 587 O ASN A 38 -12.789 2.496 -6.773 1.00 51.13 O ATOM 588 CB ASN A 38 -11.412 5.575 -5.865 1.00 2.02 C ATOM 589 CG ASN A 38 -12.896 5.885 -5.749 1.00 31.44 C ATOM 590 OD1 ASN A 38 -13.550 6.228 -6.734 1.00 30.24 O ATOM 591 ND2 ASN A 38 -13.439 5.759 -4.548 1.00 63.10 N ATOM 0 H ASN A 38 -9.205 3.264 -5.757 1.00 74.02 H new ATOM 0 HA ASN A 38 -11.294 3.577 -5.096 1.00 23.52 H new ATOM 0 HB2 ASN A 38 -10.902 5.930 -4.970 1.00 2.02 H new ATOM 0 HB3 ASN A 38 -10.996 6.126 -6.709 1.00 2.02 H new ATOM 0 HD21 ASN A 38 -14.432 5.948 -4.415 1.00 63.10 H new ATOM 0 HD22 ASN A 38 -12.864 5.472 -3.756 1.00 63.10 H new ATOM 598 N GLY A 39 -12.078 3.981 -8.291 1.00 10.41 N ATOM 599 CA GLY A 39 -12.943 3.477 -9.337 1.00 22.15 C ATOM 600 C GLY A 39 -12.567 4.050 -10.686 1.00 52.01 C ATOM 601 O GLY A 39 -13.003 5.148 -11.036 1.00 2.32 O ATOM 0 H GLY A 39 -11.484 4.761 -8.573 1.00 10.41 H new ATOM 0 HA2 GLY A 39 -12.880 2.389 -9.371 1.00 22.15 H new ATOM 0 HA3 GLY A 39 -13.978 3.729 -9.108 1.00 22.15 H new ATOM 605 N ASN A 40 -11.723 3.316 -11.420 1.00 62.43 N ATOM 606 CA ASN A 40 -11.210 3.739 -12.737 1.00 14.25 C ATOM 607 C ASN A 40 -10.184 4.868 -12.610 1.00 74.12 C ATOM 608 O ASN A 40 -9.210 4.922 -13.363 1.00 44.35 O ATOM 609 CB ASN A 40 -12.352 4.152 -13.677 1.00 14.25 C ATOM 610 CG ASN A 40 -11.860 4.759 -14.979 1.00 14.32 C ATOM 611 OD1 ASN A 40 -11.527 4.047 -15.927 1.00 5.15 O ATOM 612 ND2 ASN A 40 -11.861 6.083 -15.049 1.00 5.01 N ATOM 0 H ASN A 40 -11.372 2.407 -11.119 1.00 62.43 H new ATOM 0 HA ASN A 40 -10.705 2.877 -13.173 1.00 14.25 H new ATOM 0 HB2 ASN A 40 -12.966 3.279 -13.899 1.00 14.25 H new ATOM 0 HB3 ASN A 40 -12.993 4.871 -13.167 1.00 14.25 H new ATOM 0 HD21 ASN A 40 -11.579 6.548 -15.912 1.00 5.01 H new ATOM 0 HD22 ASN A 40 -12.144 6.636 -14.240 1.00 5.01 H new ATOM 619 N TRP A 41 -10.423 5.763 -11.662 1.00 24.11 N ATOM 620 CA TRP A 41 -9.505 6.850 -11.345 1.00 31.42 C ATOM 621 C TRP A 41 -8.128 6.305 -10.971 1.00 71.01 C ATOM 622 O TRP A 41 -7.995 5.155 -10.553 1.00 33.03 O ATOM 623 CB TRP A 41 -10.100 7.680 -10.198 1.00 5.11 C ATOM 624 CG TRP A 41 -9.194 8.735 -9.629 1.00 10.22 C ATOM 625 CD1 TRP A 41 -8.775 9.880 -10.244 1.00 73.04 C ATOM 626 CD2 TRP A 41 -8.618 8.750 -8.314 1.00 63.02 C ATOM 627 NE1 TRP A 41 -7.968 10.600 -9.398 1.00 52.44 N ATOM 628 CE2 TRP A 41 -7.859 9.931 -8.207 1.00 3.51 C ATOM 629 CE3 TRP A 41 -8.668 7.882 -7.214 1.00 2.31 C ATOM 630 CZ2 TRP A 41 -7.158 10.264 -7.053 1.00 51.13 C ATOM 631 CZ3 TRP A 41 -7.971 8.216 -6.070 1.00 13.21 C ATOM 632 CH2 TRP A 41 -7.227 9.400 -5.995 1.00 2.52 C ATOM 0 H TRP A 41 -11.265 5.756 -11.087 1.00 24.11 H new ATOM 0 HA TRP A 41 -9.374 7.486 -12.221 1.00 31.42 H new ATOM 0 HB2 TRP A 41 -11.011 8.161 -10.555 1.00 5.11 H new ATOM 0 HB3 TRP A 41 -10.391 7.003 -9.395 1.00 5.11 H new ATOM 0 HD1 TRP A 41 -9.040 10.176 -11.248 1.00 73.04 H new ATOM 0 HE1 TRP A 41 -7.521 11.490 -9.620 1.00 52.44 H new ATOM 0 HE3 TRP A 41 -9.242 6.968 -7.261 1.00 2.31 H new ATOM 0 HZ2 TRP A 41 -6.579 11.174 -6.994 1.00 51.13 H new ATOM 0 HZ3 TRP A 41 -8.000 7.553 -5.218 1.00 13.21 H new ATOM 0 HH2 TRP A 41 -6.697 9.636 -5.084 1.00 2.52 H new ATOM 643 N ASP A 42 -7.106 7.124 -11.151 1.00 51.35 N ATOM 644 CA ASP A 42 -5.748 6.738 -10.792 1.00 41.05 C ATOM 645 C ASP A 42 -4.952 7.955 -10.358 1.00 71.41 C ATOM 646 O ASP A 42 -5.240 9.083 -10.770 1.00 65.22 O ATOM 647 CB ASP A 42 -5.027 6.048 -11.955 1.00 41.03 C ATOM 648 CG ASP A 42 -4.553 7.020 -13.022 1.00 5.03 C ATOM 649 OD1 ASP A 42 -5.383 7.477 -13.830 1.00 21.41 O ATOM 650 OD2 ASP A 42 -3.343 7.334 -13.052 1.00 63.25 O ATOM 0 H ASP A 42 -7.189 8.062 -11.544 1.00 51.35 H new ATOM 0 HA ASP A 42 -5.820 6.030 -9.966 1.00 41.05 H new ATOM 0 HB2 ASP A 42 -4.170 5.496 -11.568 1.00 41.03 H new ATOM 0 HB3 ASP A 42 -5.697 5.318 -12.409 1.00 41.03 H new ATOM 655 N LYS A 43 -3.960 7.713 -9.527 1.00 52.34 N ATOM 656 CA LYS A 43 -3.081 8.762 -9.041 1.00 45.31 C ATOM 657 C LYS A 43 -1.897 8.135 -8.321 1.00 2.43 C ATOM 658 O LYS A 43 -2.053 7.534 -7.257 1.00 45.51 O ATOM 659 CB LYS A 43 -3.839 9.710 -8.106 1.00 73.13 C ATOM 660 CG LYS A 43 -3.069 10.967 -7.740 1.00 50.45 C ATOM 661 CD LYS A 43 -3.924 11.905 -6.906 1.00 71.22 C ATOM 662 CE LYS A 43 -3.177 13.178 -6.534 1.00 32.54 C ATOM 663 NZ LYS A 43 -2.810 13.993 -7.721 1.00 31.32 N ATOM 0 H LYS A 43 -3.738 6.784 -9.168 1.00 52.34 H new ATOM 0 HA LYS A 43 -2.718 9.345 -9.887 1.00 45.31 H new ATOM 0 HB2 LYS A 43 -4.778 9.997 -8.580 1.00 73.13 H new ATOM 0 HB3 LYS A 43 -4.094 9.174 -7.192 1.00 73.13 H new ATOM 0 HG2 LYS A 43 -2.170 10.699 -7.185 1.00 50.45 H new ATOM 0 HG3 LYS A 43 -2.744 11.476 -8.647 1.00 50.45 H new ATOM 0 HD2 LYS A 43 -4.826 12.163 -7.461 1.00 71.22 H new ATOM 0 HD3 LYS A 43 -4.243 11.394 -5.998 1.00 71.22 H new ATOM 0 HE2 LYS A 43 -3.796 13.776 -5.865 1.00 32.54 H new ATOM 0 HE3 LYS A 43 -2.273 12.917 -5.984 1.00 32.54 H new ATOM 0 HZ1 LYS A 43 -2.442 14.915 -7.409 1.00 31.32 H new ATOM 0 HZ2 LYS A 43 -2.080 13.497 -8.270 1.00 31.32 H new ATOM 0 HZ3 LYS A 43 -3.651 14.139 -8.315 1.00 31.32 H new ATOM 677 N LEU A 44 -0.726 8.245 -8.924 1.00 21.45 N ATOM 678 CA LEU A 44 0.476 7.662 -8.357 1.00 30.31 C ATOM 679 C LEU A 44 1.173 8.673 -7.459 1.00 70.50 C ATOM 680 O LEU A 44 1.776 9.634 -7.941 1.00 65.12 O ATOM 681 CB LEU A 44 1.427 7.206 -9.468 1.00 73.13 C ATOM 682 CG LEU A 44 2.656 6.433 -8.994 1.00 62.55 C ATOM 683 CD1 LEU A 44 2.234 5.115 -8.373 1.00 2.03 C ATOM 684 CD2 LEU A 44 3.624 6.205 -10.148 1.00 23.10 C ATOM 0 H LEU A 44 -0.583 8.734 -9.808 1.00 21.45 H new ATOM 0 HA LEU A 44 0.193 6.793 -7.763 1.00 30.31 H new ATOM 0 HB2 LEU A 44 0.871 6.581 -10.166 1.00 73.13 H new ATOM 0 HB3 LEU A 44 1.761 8.084 -10.022 1.00 73.13 H new ATOM 0 HG LEU A 44 3.171 7.023 -8.236 1.00 62.55 H new ATOM 0 HD11 LEU A 44 3.117 4.571 -8.038 1.00 2.03 H new ATOM 0 HD12 LEU A 44 1.581 5.307 -7.521 1.00 2.03 H new ATOM 0 HD13 LEU A 44 1.700 4.519 -9.113 1.00 2.03 H new ATOM 0 HD21 LEU A 44 4.493 5.653 -9.790 1.00 23.10 H new ATOM 0 HD22 LEU A 44 3.128 5.632 -10.932 1.00 23.10 H new ATOM 0 HD23 LEU A 44 3.945 7.166 -10.549 1.00 23.10 H new ATOM 696 N VAL A 45 1.074 8.471 -6.160 1.00 53.20 N ATOM 697 CA VAL A 45 1.694 9.374 -5.209 1.00 61.12 C ATOM 698 C VAL A 45 2.736 8.631 -4.390 1.00 22.40 C ATOM 699 O VAL A 45 2.420 7.670 -3.690 1.00 72.31 O ATOM 700 CB VAL A 45 0.663 10.020 -4.261 1.00 73.40 C ATOM 701 CG1 VAL A 45 1.330 11.085 -3.401 1.00 65.11 C ATOM 702 CG2 VAL A 45 -0.497 10.610 -5.047 1.00 51.50 C ATOM 0 H VAL A 45 0.571 7.690 -5.738 1.00 53.20 H new ATOM 0 HA VAL A 45 2.166 10.172 -5.783 1.00 61.12 H new ATOM 0 HB VAL A 45 0.265 9.246 -3.605 1.00 73.40 H new ATOM 0 HG11 VAL A 45 0.590 11.532 -2.737 1.00 65.11 H new ATOM 0 HG12 VAL A 45 2.122 10.629 -2.807 1.00 65.11 H new ATOM 0 HG13 VAL A 45 1.755 11.857 -4.042 1.00 65.11 H new ATOM 0 HG21 VAL A 45 -1.212 11.060 -4.358 1.00 51.50 H new ATOM 0 HG22 VAL A 45 -0.123 11.372 -5.731 1.00 51.50 H new ATOM 0 HG23 VAL A 45 -0.989 9.821 -5.616 1.00 51.50 H new ATOM 712 N THR A 46 3.979 9.058 -4.503 1.00 54.25 N ATOM 713 CA THR A 46 5.058 8.441 -3.762 1.00 20.14 C ATOM 714 C THR A 46 5.073 8.940 -2.322 1.00 54.54 C ATOM 715 O THR A 46 5.044 10.145 -2.066 1.00 52.44 O ATOM 716 CB THR A 46 6.417 8.744 -4.408 1.00 41.51 C ATOM 717 OG1 THR A 46 6.299 8.698 -5.836 1.00 13.23 O ATOM 718 CG2 THR A 46 7.479 7.754 -3.955 1.00 24.21 C ATOM 0 H THR A 46 4.265 9.832 -5.103 1.00 54.25 H new ATOM 0 HA THR A 46 4.889 7.364 -3.775 1.00 20.14 H new ATOM 0 HB THR A 46 6.722 9.742 -4.094 1.00 41.51 H new ATOM 0 HG1 THR A 46 7.169 8.894 -6.243 1.00 13.23 H new ATOM 0 HG21 THR A 46 8.429 7.997 -4.431 1.00 24.21 H new ATOM 0 HG22 THR A 46 7.591 7.810 -2.872 1.00 24.21 H new ATOM 0 HG23 THR A 46 7.179 6.745 -4.237 1.00 24.21 H new ATOM 726 N PHE A 47 5.121 8.007 -1.398 1.00 23.22 N ATOM 727 CA PHE A 47 5.195 8.317 0.019 1.00 65.44 C ATOM 728 C PHE A 47 6.402 7.624 0.616 1.00 2.40 C ATOM 729 O PHE A 47 7.122 6.910 -0.083 1.00 32.21 O ATOM 730 CB PHE A 47 3.936 7.864 0.764 1.00 45.42 C ATOM 731 CG PHE A 47 2.686 8.610 0.397 1.00 1.42 C ATOM 732 CD1 PHE A 47 2.476 9.902 0.852 1.00 54.43 C ATOM 733 CD2 PHE A 47 1.711 8.011 -0.384 1.00 13.05 C ATOM 734 CE1 PHE A 47 1.317 10.583 0.534 1.00 60.14 C ATOM 735 CE2 PHE A 47 0.552 8.688 -0.707 1.00 60.34 C ATOM 736 CZ PHE A 47 0.354 9.976 -0.247 1.00 11.52 C ATOM 0 H PHE A 47 5.110 7.008 -1.605 1.00 23.22 H new ATOM 0 HA PHE A 47 5.280 9.398 0.125 1.00 65.44 H new ATOM 0 HB2 PHE A 47 3.779 6.803 0.572 1.00 45.42 H new ATOM 0 HB3 PHE A 47 4.106 7.972 1.835 1.00 45.42 H new ATOM 0 HD1 PHE A 47 3.227 10.382 1.462 1.00 54.43 H new ATOM 0 HD2 PHE A 47 1.859 7.004 -0.744 1.00 13.05 H new ATOM 0 HE1 PHE A 47 1.164 11.589 0.896 1.00 60.14 H new ATOM 0 HE2 PHE A 47 -0.200 8.211 -1.319 1.00 60.34 H new ATOM 0 HZ PHE A 47 -0.552 10.507 -0.498 1.00 11.52 H new ATOM 746 N ARG A 48 6.629 7.833 1.897 1.00 25.23 N ATOM 747 CA ARG A 48 7.700 7.142 2.591 1.00 1.43 C ATOM 748 C ARG A 48 7.157 5.838 3.167 1.00 34.41 C ATOM 749 O ARG A 48 5.947 5.674 3.306 1.00 23.34 O ATOM 750 CB ARG A 48 8.285 8.014 3.708 1.00 52.24 C ATOM 751 CG ARG A 48 8.618 9.438 3.278 1.00 4.31 C ATOM 752 CD ARG A 48 9.535 9.464 2.064 1.00 22.14 C ATOM 753 NE ARG A 48 9.875 10.828 1.656 1.00 54.43 N ATOM 754 CZ ARG A 48 9.112 11.593 0.873 1.00 34.23 C ATOM 755 NH1 ARG A 48 7.925 11.163 0.464 1.00 31.53 N ATOM 756 NH2 ARG A 48 9.537 12.796 0.514 1.00 74.13 N ATOM 0 H ARG A 48 6.089 8.474 2.478 1.00 25.23 H new ATOM 0 HA ARG A 48 8.502 6.928 1.884 1.00 1.43 H new ATOM 0 HB2 ARG A 48 7.575 8.052 4.534 1.00 52.24 H new ATOM 0 HB3 ARG A 48 9.190 7.540 4.088 1.00 52.24 H new ATOM 0 HG2 ARG A 48 7.696 9.973 3.048 1.00 4.31 H new ATOM 0 HG3 ARG A 48 9.095 9.965 4.105 1.00 4.31 H new ATOM 0 HD2 ARG A 48 10.450 8.916 2.290 1.00 22.14 H new ATOM 0 HD3 ARG A 48 9.051 8.949 1.234 1.00 22.14 H new ATOM 0 HE ARG A 48 10.754 11.220 1.993 1.00 54.43 H new ATOM 0 HH11 ARG A 48 7.590 10.242 0.748 1.00 31.53 H new ATOM 0 HH12 ARG A 48 7.347 11.753 -0.134 1.00 31.53 H new ATOM 0 HH21 ARG A 48 10.444 13.134 0.836 1.00 74.13 H new ATOM 0 HH22 ARG A 48 8.957 13.384 -0.084 1.00 74.13 H new ATOM 770 N LEU A 49 8.044 4.926 3.522 1.00 34.41 N ATOM 771 CA LEU A 49 7.634 3.615 4.015 1.00 65.40 C ATOM 772 C LEU A 49 7.223 3.717 5.471 1.00 63.14 C ATOM 773 O LEU A 49 6.483 2.883 5.984 1.00 62.35 O ATOM 774 CB LEU A 49 8.763 2.593 3.862 1.00 71.30 C ATOM 775 CG LEU A 49 9.205 2.317 2.424 1.00 12.03 C ATOM 776 CD1 LEU A 49 10.308 1.272 2.398 1.00 22.22 C ATOM 777 CD2 LEU A 49 8.026 1.863 1.579 1.00 71.32 C ATOM 0 H LEU A 49 9.054 5.065 3.480 1.00 34.41 H new ATOM 0 HA LEU A 49 6.785 3.277 3.421 1.00 65.40 H new ATOM 0 HB2 LEU A 49 9.626 2.942 4.429 1.00 71.30 H new ATOM 0 HB3 LEU A 49 8.444 1.653 4.313 1.00 71.30 H new ATOM 0 HG LEU A 49 9.595 3.243 2.002 1.00 12.03 H new ATOM 0 HD11 LEU A 49 10.610 1.088 1.367 1.00 22.22 H new ATOM 0 HD12 LEU A 49 11.164 1.632 2.968 1.00 22.22 H new ATOM 0 HD13 LEU A 49 9.942 0.345 2.840 1.00 22.22 H new ATOM 0 HD21 LEU A 49 8.361 1.672 0.560 1.00 71.32 H new ATOM 0 HD22 LEU A 49 7.607 0.949 2.000 1.00 71.32 H new ATOM 0 HD23 LEU A 49 7.263 2.642 1.570 1.00 71.32 H new ATOM 789 N SER A 50 7.718 4.752 6.129 1.00 31.23 N ATOM 790 CA SER A 50 7.338 5.047 7.498 1.00 64.21 C ATOM 791 C SER A 50 5.943 5.650 7.532 1.00 34.44 C ATOM 792 O SER A 50 5.306 5.720 8.583 1.00 25.23 O ATOM 793 CB SER A 50 8.349 6.015 8.116 1.00 44.23 C ATOM 794 OG SER A 50 8.630 7.086 7.225 1.00 50.31 O ATOM 0 H SER A 50 8.391 5.407 5.731 1.00 31.23 H new ATOM 0 HA SER A 50 7.332 4.123 8.076 1.00 64.21 H new ATOM 0 HB2 SER A 50 7.956 6.409 9.053 1.00 44.23 H new ATOM 0 HB3 SER A 50 9.270 5.483 8.355 1.00 44.23 H new ATOM 0 HG SER A 50 7.838 7.657 7.140 1.00 50.31 H new ATOM 800 N GLU A 51 5.473 6.081 6.368 1.00 52.53 N ATOM 801 CA GLU A 51 4.170 6.732 6.276 1.00 15.31 C ATOM 802 C GLU A 51 3.083 5.713 5.977 1.00 32.54 C ATOM 803 O GLU A 51 1.887 5.999 6.101 1.00 21.43 O ATOM 804 CB GLU A 51 4.181 7.799 5.181 1.00 42.52 C ATOM 805 CG GLU A 51 5.410 8.691 5.202 1.00 35.22 C ATOM 806 CD GLU A 51 5.663 9.334 6.549 1.00 3.12 C ATOM 807 OE1 GLU A 51 4.894 10.242 6.933 1.00 63.54 O ATOM 808 OE2 GLU A 51 6.644 8.945 7.224 1.00 12.11 O ATOM 0 H GLU A 51 5.969 5.993 5.481 1.00 52.53 H new ATOM 0 HA GLU A 51 3.961 7.205 7.236 1.00 15.31 H new ATOM 0 HB2 GLU A 51 4.117 7.309 4.209 1.00 42.52 H new ATOM 0 HB3 GLU A 51 3.291 8.420 5.284 1.00 42.52 H new ATOM 0 HG2 GLU A 51 6.282 8.102 4.919 1.00 35.22 H new ATOM 0 HG3 GLU A 51 5.296 9.472 4.450 1.00 35.22 H new ATOM 815 N LEU A 52 3.507 4.523 5.591 1.00 22.41 N ATOM 816 CA LEU A 52 2.593 3.488 5.158 1.00 53.21 C ATOM 817 C LEU A 52 2.630 2.298 6.103 1.00 70.52 C ATOM 818 O LEU A 52 3.567 2.142 6.885 1.00 73.23 O ATOM 819 CB LEU A 52 2.978 3.034 3.752 1.00 51.23 C ATOM 820 CG LEU A 52 2.995 4.135 2.690 1.00 42.41 C ATOM 821 CD1 LEU A 52 3.600 3.617 1.396 1.00 12.20 C ATOM 822 CD2 LEU A 52 1.591 4.670 2.446 1.00 72.21 C ATOM 0 H LEU A 52 4.490 4.250 5.570 1.00 22.41 H new ATOM 0 HA LEU A 52 1.582 3.895 5.158 1.00 53.21 H new ATOM 0 HB2 LEU A 52 3.967 2.577 3.794 1.00 51.23 H new ATOM 0 HB3 LEU A 52 2.281 2.258 3.435 1.00 51.23 H new ATOM 0 HG LEU A 52 3.613 4.954 3.057 1.00 42.41 H new ATOM 0 HD11 LEU A 52 3.604 4.413 0.652 1.00 12.20 H new ATOM 0 HD12 LEU A 52 4.622 3.286 1.579 1.00 12.20 H new ATOM 0 HD13 LEU A 52 3.008 2.779 1.027 1.00 12.20 H new ATOM 0 HD21 LEU A 52 1.626 5.452 1.687 1.00 72.21 H new ATOM 0 HD22 LEU A 52 0.948 3.860 2.103 1.00 72.21 H new ATOM 0 HD23 LEU A 52 1.192 5.082 3.373 1.00 72.21 H new ATOM 834 N GLU A 53 1.596 1.478 6.036 1.00 64.11 N ATOM 835 CA GLU A 53 1.568 0.224 6.765 1.00 53.34 C ATOM 836 C GLU A 53 1.287 -0.918 5.802 1.00 43.33 C ATOM 837 O GLU A 53 0.341 -0.857 5.007 1.00 75.13 O ATOM 838 CB GLU A 53 0.518 0.262 7.879 1.00 12.31 C ATOM 839 CG GLU A 53 -0.887 0.577 7.391 1.00 53.43 C ATOM 840 CD GLU A 53 -1.886 0.687 8.518 1.00 32.03 C ATOM 841 OE1 GLU A 53 -2.033 1.791 9.081 1.00 23.54 O ATOM 842 OE2 GLU A 53 -2.549 -0.326 8.832 1.00 61.10 O ATOM 0 H GLU A 53 0.760 1.660 5.480 1.00 64.11 H new ATOM 0 HA GLU A 53 2.540 0.066 7.232 1.00 53.34 H new ATOM 0 HB2 GLU A 53 0.508 -0.702 8.388 1.00 12.31 H new ATOM 0 HB3 GLU A 53 0.812 1.009 8.616 1.00 12.31 H new ATOM 0 HG2 GLU A 53 -0.872 1.513 6.832 1.00 53.43 H new ATOM 0 HG3 GLU A 53 -1.210 -0.202 6.700 1.00 53.43 H new ATOM 849 N ALA A 54 2.117 -1.945 5.855 1.00 4.22 N ATOM 850 CA ALA A 54 1.975 -3.076 4.958 1.00 72.34 C ATOM 851 C ALA A 54 0.887 -4.016 5.447 1.00 52.14 C ATOM 852 O ALA A 54 1.049 -4.701 6.460 1.00 52.34 O ATOM 853 CB ALA A 54 3.293 -3.819 4.816 1.00 61.52 C ATOM 0 H ALA A 54 2.896 -2.018 6.510 1.00 4.22 H new ATOM 0 HA ALA A 54 1.687 -2.696 3.978 1.00 72.34 H new ATOM 0 HB1 ALA A 54 3.164 -4.663 4.139 1.00 61.52 H new ATOM 0 HB2 ALA A 54 4.049 -3.145 4.415 1.00 61.52 H new ATOM 0 HB3 ALA A 54 3.613 -4.183 5.793 1.00 61.52 H new ATOM 859 N VAL A 55 -0.230 -4.032 4.733 1.00 64.43 N ATOM 860 CA VAL A 55 -1.326 -4.935 5.051 1.00 41.50 C ATOM 861 C VAL A 55 -0.935 -6.350 4.635 1.00 61.22 C ATOM 862 O VAL A 55 0.119 -6.549 4.024 1.00 72.14 O ATOM 863 CB VAL A 55 -2.635 -4.520 4.331 1.00 43.03 C ATOM 864 CG1 VAL A 55 -3.858 -5.106 5.024 1.00 43.01 C ATOM 865 CG2 VAL A 55 -2.751 -3.005 4.243 1.00 41.42 C ATOM 0 H VAL A 55 -0.401 -3.429 3.928 1.00 64.43 H new ATOM 0 HA VAL A 55 -1.511 -4.891 6.124 1.00 41.50 H new ATOM 0 HB VAL A 55 -2.594 -4.923 3.319 1.00 43.03 H new ATOM 0 HG11 VAL A 55 -4.759 -4.796 4.495 1.00 43.01 H new ATOM 0 HG12 VAL A 55 -3.791 -6.194 5.021 1.00 43.01 H new ATOM 0 HG13 VAL A 55 -3.900 -4.748 6.053 1.00 43.01 H new ATOM 0 HG21 VAL A 55 -3.678 -2.740 3.734 1.00 41.42 H new ATOM 0 HG22 VAL A 55 -2.755 -2.581 5.247 1.00 41.42 H new ATOM 0 HG23 VAL A 55 -1.904 -2.607 3.685 1.00 41.42 H new ATOM 875 N LYS A 56 -1.757 -7.328 4.972 1.00 42.30 N ATOM 876 CA LYS A 56 -1.463 -8.708 4.637 1.00 0.45 C ATOM 877 C LYS A 56 -1.422 -8.897 3.121 1.00 41.21 C ATOM 878 O LYS A 56 -2.272 -8.374 2.394 1.00 43.14 O ATOM 879 CB LYS A 56 -2.489 -9.640 5.285 1.00 12.32 C ATOM 880 CG LYS A 56 -3.921 -9.404 4.840 1.00 5.04 C ATOM 881 CD LYS A 56 -4.899 -10.226 5.665 1.00 42.43 C ATOM 882 CE LYS A 56 -6.302 -10.158 5.089 1.00 3.25 C ATOM 883 NZ LYS A 56 -6.406 -10.898 3.801 1.00 62.45 N ATOM 0 H LYS A 56 -2.633 -7.191 5.477 1.00 42.30 H new ATOM 0 HA LYS A 56 -0.478 -8.963 5.029 1.00 0.45 H new ATOM 0 HB2 LYS A 56 -2.217 -10.671 5.061 1.00 12.32 H new ATOM 0 HB3 LYS A 56 -2.434 -9.524 6.367 1.00 12.32 H new ATOM 0 HG2 LYS A 56 -4.163 -8.345 4.933 1.00 5.04 H new ATOM 0 HG3 LYS A 56 -4.024 -9.663 3.786 1.00 5.04 H new ATOM 0 HD2 LYS A 56 -4.567 -11.264 5.698 1.00 42.43 H new ATOM 0 HD3 LYS A 56 -4.907 -9.861 6.692 1.00 42.43 H new ATOM 0 HE2 LYS A 56 -7.010 -10.574 5.806 1.00 3.25 H new ATOM 0 HE3 LYS A 56 -6.581 -9.116 4.933 1.00 3.25 H new ATOM 0 HZ1 LYS A 56 -7.408 -11.033 3.558 1.00 62.45 H new ATOM 0 HZ2 LYS A 56 -5.938 -10.353 3.049 1.00 62.45 H new ATOM 0 HZ3 LYS A 56 -5.944 -11.825 3.895 1.00 62.45 H new ATOM 897 N PRO A 57 -0.403 -9.611 2.624 1.00 10.42 N ATOM 898 CA PRO A 57 -0.233 -9.867 1.192 1.00 44.22 C ATOM 899 C PRO A 57 -1.252 -10.874 0.668 1.00 50.52 C ATOM 900 O PRO A 57 -2.163 -11.289 1.390 1.00 21.22 O ATOM 901 CB PRO A 57 1.187 -10.449 1.089 1.00 32.44 C ATOM 902 CG PRO A 57 1.806 -10.261 2.435 1.00 10.53 C ATOM 903 CD PRO A 57 0.669 -10.227 3.412 1.00 63.25 C ATOM 0 HA PRO A 57 -0.378 -8.964 0.599 1.00 44.22 H new ATOM 0 HB2 PRO A 57 1.158 -11.504 0.817 1.00 32.44 H new ATOM 0 HB3 PRO A 57 1.764 -9.937 0.319 1.00 32.44 H new ATOM 0 HG2 PRO A 57 2.494 -11.075 2.665 1.00 10.53 H new ATOM 0 HG3 PRO A 57 2.382 -9.336 2.474 1.00 10.53 H new ATOM 0 HD2 PRO A 57 0.399 -11.225 3.756 1.00 63.25 H new ATOM 0 HD3 PRO A 57 0.911 -9.640 4.298 1.00 63.25 H new ATOM 911 N ILE A 58 -1.098 -11.269 -0.587 1.00 4.41 N ATOM 912 CA ILE A 58 -1.970 -12.279 -1.164 1.00 72.24 C ATOM 913 C ILE A 58 -1.509 -13.656 -0.702 1.00 70.24 C ATOM 914 O ILE A 58 -0.324 -13.869 -0.432 1.00 50.21 O ATOM 915 CB ILE A 58 -1.979 -12.236 -2.707 1.00 74.34 C ATOM 916 CG1 ILE A 58 -2.016 -10.784 -3.203 1.00 13.14 C ATOM 917 CG2 ILE A 58 -3.175 -13.011 -3.253 1.00 62.33 C ATOM 918 CD1 ILE A 58 -1.920 -10.647 -4.708 1.00 13.13 C ATOM 0 H ILE A 58 -0.384 -10.909 -1.220 1.00 4.41 H new ATOM 0 HA ILE A 58 -2.985 -12.074 -0.825 1.00 72.24 H new ATOM 0 HB ILE A 58 -1.064 -12.704 -3.071 1.00 74.34 H new ATOM 0 HG12 ILE A 58 -2.941 -10.318 -2.864 1.00 13.14 H new ATOM 0 HG13 ILE A 58 -1.195 -10.233 -2.745 1.00 13.14 H new ATOM 0 HG21 ILE A 58 -3.168 -12.972 -4.342 1.00 62.33 H new ATOM 0 HG22 ILE A 58 -3.115 -14.049 -2.927 1.00 62.33 H new ATOM 0 HG23 ILE A 58 -4.098 -12.566 -2.880 1.00 62.33 H new ATOM 0 HD11 ILE A 58 -1.953 -9.592 -4.980 1.00 13.13 H new ATOM 0 HD12 ILE A 58 -0.982 -11.082 -5.054 1.00 13.13 H new ATOM 0 HD13 ILE A 58 -2.756 -11.168 -5.175 1.00 13.13 H new ATOM 930 N LEU A 59 -2.437 -14.588 -0.631 1.00 25.15 N ATOM 931 CA LEU A 59 -2.148 -15.902 -0.083 1.00 32.33 C ATOM 932 C LEU A 59 -1.746 -16.881 -1.176 1.00 73.42 C ATOM 933 O LEU A 59 -2.167 -16.753 -2.327 1.00 4.03 O ATOM 934 CB LEU A 59 -3.348 -16.424 0.724 1.00 64.21 C ATOM 935 CG LEU A 59 -4.717 -16.365 0.028 1.00 72.24 C ATOM 936 CD1 LEU A 59 -4.897 -17.526 -0.939 1.00 74.43 C ATOM 937 CD2 LEU A 59 -5.830 -16.360 1.066 1.00 5.53 C ATOM 0 H LEU A 59 -3.399 -14.462 -0.945 1.00 25.15 H new ATOM 0 HA LEU A 59 -1.299 -15.809 0.594 1.00 32.33 H new ATOM 0 HB2 LEU A 59 -3.150 -17.460 1.000 1.00 64.21 H new ATOM 0 HB3 LEU A 59 -3.411 -15.853 1.651 1.00 64.21 H new ATOM 0 HG LEU A 59 -4.765 -15.442 -0.550 1.00 72.24 H new ATOM 0 HD11 LEU A 59 -5.875 -17.455 -1.415 1.00 74.43 H new ATOM 0 HD12 LEU A 59 -4.119 -17.488 -1.702 1.00 74.43 H new ATOM 0 HD13 LEU A 59 -4.826 -18.468 -0.394 1.00 74.43 H new ATOM 0 HD21 LEU A 59 -6.796 -16.318 0.563 1.00 5.53 H new ATOM 0 HD22 LEU A 59 -5.772 -17.268 1.666 1.00 5.53 H new ATOM 0 HD23 LEU A 59 -5.720 -15.490 1.713 1.00 5.53 H new ATOM 949 N GLU A 60 -0.914 -17.843 -0.811 1.00 2.24 N ATOM 950 CA GLU A 60 -0.475 -18.872 -1.738 1.00 20.14 C ATOM 951 C GLU A 60 -1.434 -20.051 -1.654 1.00 43.34 C ATOM 952 O GLU A 60 -2.322 -20.211 -2.492 1.00 30.11 O ATOM 953 CB GLU A 60 0.965 -19.291 -1.395 1.00 31.23 C ATOM 954 CG GLU A 60 1.700 -20.046 -2.501 1.00 4.33 C ATOM 955 CD GLU A 60 1.199 -21.458 -2.701 1.00 15.24 C ATOM 956 OE1 GLU A 60 1.479 -22.321 -1.840 1.00 22.13 O ATOM 957 OE2 GLU A 60 0.518 -21.710 -3.711 1.00 52.15 O ATOM 0 H GLU A 60 -0.527 -17.932 0.128 1.00 2.24 H new ATOM 0 HA GLU A 60 -0.479 -18.494 -2.760 1.00 20.14 H new ATOM 0 HB2 GLU A 60 1.537 -18.398 -1.144 1.00 31.23 H new ATOM 0 HB3 GLU A 60 0.942 -19.916 -0.502 1.00 31.23 H new ATOM 0 HG2 GLU A 60 1.597 -19.496 -3.436 1.00 4.33 H new ATOM 0 HG3 GLU A 60 2.764 -20.076 -2.265 1.00 4.33 H new ATOM 964 N HIS A 61 -1.260 -20.842 -0.616 1.00 42.44 N ATOM 965 CA HIS A 61 -2.129 -21.975 -0.329 1.00 11.25 C ATOM 966 C HIS A 61 -2.061 -22.299 1.151 1.00 44.00 C ATOM 967 O HIS A 61 -1.268 -21.702 1.882 1.00 20.22 O ATOM 968 CB HIS A 61 -1.725 -23.210 -1.144 1.00 52.31 C ATOM 969 CG HIS A 61 -2.367 -23.285 -2.493 1.00 72.31 C ATOM 970 ND1 HIS A 61 -1.701 -23.014 -3.663 1.00 31.42 N ATOM 971 CD2 HIS A 61 -3.625 -23.627 -2.850 1.00 34.42 C ATOM 972 CE1 HIS A 61 -2.516 -23.182 -4.682 1.00 53.22 C ATOM 973 NE2 HIS A 61 -3.693 -23.557 -4.217 1.00 12.31 N ATOM 0 H HIS A 61 -0.507 -20.720 0.061 1.00 42.44 H new ATOM 0 HA HIS A 61 -3.147 -21.704 -0.608 1.00 11.25 H new ATOM 0 HB2 HIS A 61 -0.642 -23.213 -1.268 1.00 52.31 H new ATOM 0 HB3 HIS A 61 -1.984 -24.106 -0.579 1.00 52.31 H new ATOM 0 HD1 HIS A 61 -0.725 -22.727 -3.731 1.00 31.42 H new ATOM 0 HD2 HIS A 61 -4.427 -23.904 -2.182 1.00 34.42 H new ATOM 0 HE1 HIS A 61 -2.265 -23.038 -5.722 1.00 53.22 H new ATOM 982 N HIS A 62 -2.876 -23.243 1.593 1.00 73.12 N ATOM 983 CA HIS A 62 -2.869 -23.651 2.989 1.00 15.14 C ATOM 984 C HIS A 62 -1.776 -24.679 3.244 1.00 13.04 C ATOM 985 O HIS A 62 -1.904 -25.848 2.883 1.00 64.35 O ATOM 986 CB HIS A 62 -4.231 -24.205 3.410 1.00 63.33 C ATOM 987 CG HIS A 62 -5.258 -23.139 3.637 1.00 74.42 C ATOM 988 ND1 HIS A 62 -6.195 -22.777 2.697 1.00 52.34 N ATOM 989 CD2 HIS A 62 -5.481 -22.348 4.711 1.00 64.00 C ATOM 990 CE1 HIS A 62 -6.948 -21.808 3.185 1.00 3.53 C ATOM 991 NE2 HIS A 62 -6.536 -21.527 4.406 1.00 24.24 N ATOM 0 H HIS A 62 -3.548 -23.740 1.008 1.00 73.12 H new ATOM 0 HA HIS A 62 -2.662 -22.767 3.593 1.00 15.14 H new ATOM 0 HB2 HIS A 62 -4.591 -24.889 2.641 1.00 63.33 H new ATOM 0 HB3 HIS A 62 -4.112 -24.787 4.324 1.00 63.33 H new ATOM 0 HD2 HIS A 62 -4.929 -22.361 5.639 1.00 64.00 H new ATOM 0 HE1 HIS A 62 -7.766 -21.326 2.670 1.00 3.53 H new ATOM 0 HE2 HIS A 62 -6.935 -20.818 5.021 1.00 24.24 H new ATOM 1000 N HIS A 63 -0.691 -24.220 3.844 1.00 50.31 N ATOM 1001 CA HIS A 63 0.433 -25.081 4.175 1.00 31.02 C ATOM 1002 C HIS A 63 0.380 -25.434 5.650 1.00 71.22 C ATOM 1003 O HIS A 63 -0.083 -24.631 6.463 1.00 2.51 O ATOM 1004 CB HIS A 63 1.762 -24.374 3.874 1.00 63.03 C ATOM 1005 CG HIS A 63 2.050 -24.173 2.418 1.00 3.43 C ATOM 1006 ND1 HIS A 63 3.298 -24.374 1.868 1.00 64.34 N ATOM 1007 CD2 HIS A 63 1.257 -23.765 1.399 1.00 54.21 C ATOM 1008 CE1 HIS A 63 3.259 -24.102 0.578 1.00 0.13 C ATOM 1009 NE2 HIS A 63 2.032 -23.729 0.266 1.00 74.25 N ATOM 0 H HIS A 63 -0.564 -23.245 4.115 1.00 50.31 H new ATOM 0 HA HIS A 63 0.369 -25.986 3.570 1.00 31.02 H new ATOM 0 HB2 HIS A 63 1.760 -23.402 4.367 1.00 63.03 H new ATOM 0 HB3 HIS A 63 2.574 -24.953 4.314 1.00 63.03 H new ATOM 0 HD2 HIS A 63 0.209 -23.514 1.465 1.00 54.21 H new ATOM 0 HE1 HIS A 63 4.091 -24.173 -0.107 1.00 0.13 H new ATOM 0 HE2 HIS A 63 1.712 -23.458 -0.664 1.00 74.25 H new ATOM 1018 N HIS A 64 0.837 -26.626 6.004 1.00 31.03 N ATOM 1019 CA HIS A 64 0.922 -26.987 7.410 1.00 52.33 C ATOM 1020 C HIS A 64 2.044 -26.187 8.061 1.00 51.53 C ATOM 1021 O HIS A 64 3.217 -26.315 7.699 1.00 43.11 O ATOM 1022 CB HIS A 64 1.093 -28.507 7.605 1.00 75.41 C ATOM 1023 CG HIS A 64 2.376 -29.100 7.102 1.00 74.42 C ATOM 1024 ND1 HIS A 64 2.595 -29.427 5.782 1.00 4.03 N ATOM 1025 CD2 HIS A 64 3.495 -29.468 7.766 1.00 54.24 C ATOM 1026 CE1 HIS A 64 3.790 -29.973 5.658 1.00 52.22 C ATOM 1027 NE2 HIS A 64 4.361 -30.011 6.849 1.00 71.50 N ATOM 0 H HIS A 64 1.149 -27.346 5.352 1.00 31.03 H new ATOM 0 HA HIS A 64 -0.017 -26.734 7.902 1.00 52.33 H new ATOM 0 HB2 HIS A 64 1.008 -28.727 8.669 1.00 75.41 H new ATOM 0 HB3 HIS A 64 0.264 -29.011 7.108 1.00 75.41 H new ATOM 0 HD2 HIS A 64 3.675 -29.355 8.825 1.00 54.24 H new ATOM 0 HE1 HIS A 64 4.228 -30.329 4.737 1.00 52.22 H new ATOM 0 HE2 HIS A 64 5.289 -30.381 7.053 1.00 71.50 H new ATOM 1036 N HIS A 65 1.666 -25.329 8.997 1.00 32.12 N ATOM 1037 CA HIS A 65 2.586 -24.346 9.553 1.00 0.33 C ATOM 1038 C HIS A 65 3.603 -24.986 10.491 1.00 62.12 C ATOM 1039 O HIS A 65 3.418 -26.108 10.967 1.00 62.34 O ATOM 1040 CB HIS A 65 1.817 -23.238 10.291 1.00 41.15 C ATOM 1041 CG HIS A 65 1.295 -23.636 11.644 1.00 12.54 C ATOM 1042 ND1 HIS A 65 1.782 -23.114 12.826 1.00 1.43 N ATOM 1043 CD2 HIS A 65 0.326 -24.509 11.998 1.00 55.42 C ATOM 1044 CE1 HIS A 65 1.134 -23.653 13.841 1.00 54.33 C ATOM 1045 NE2 HIS A 65 0.247 -24.503 13.366 1.00 70.35 N ATOM 0 H HIS A 65 0.725 -25.293 9.389 1.00 32.12 H new ATOM 0 HA HIS A 65 3.131 -23.908 8.717 1.00 0.33 H new ATOM 0 HB2 HIS A 65 2.472 -22.375 10.408 1.00 41.15 H new ATOM 0 HB3 HIS A 65 0.979 -22.920 9.671 1.00 41.15 H new ATOM 0 HD2 HIS A 65 -0.276 -25.103 11.326 1.00 55.42 H new ATOM 0 HE1 HIS A 65 1.302 -23.434 14.885 1.00 54.33 H new ATOM 0 HE2 HIS A 65 -0.394 -25.065 13.925 1.00 70.35 H new ATOM 1054 N HIS A 66 4.674 -24.257 10.742 1.00 60.11 N ATOM 1055 CA HIS A 66 5.694 -24.687 11.683 1.00 20.24 C ATOM 1056 C HIS A 66 5.692 -23.763 12.889 1.00 62.11 C ATOM 1057 O HIS A 66 6.089 -22.589 12.733 1.00 38.44 O ATOM 1058 CB HIS A 66 7.077 -24.697 11.028 1.00 55.41 C ATOM 1059 CG HIS A 66 7.185 -25.647 9.876 1.00 15.24 C ATOM 1060 ND1 HIS A 66 7.525 -25.251 8.601 1.00 55.41 N ATOM 1061 CD2 HIS A 66 6.998 -26.986 9.814 1.00 1.24 C ATOM 1062 CE1 HIS A 66 7.540 -26.302 7.806 1.00 14.53 C ATOM 1063 NE2 HIS A 66 7.227 -27.368 8.515 1.00 13.53 N ATOM 1064 OXT HIS A 66 5.280 -24.202 13.977 1.00 38.44 O ATOM 0 H HIS A 66 4.862 -23.356 10.303 1.00 60.11 H new ATOM 0 HA HIS A 66 5.467 -25.704 12.002 1.00 20.24 H new ATOM 0 HB2 HIS A 66 7.314 -23.691 10.682 1.00 55.41 H new ATOM 0 HB3 HIS A 66 7.823 -24.961 11.777 1.00 55.41 H new ATOM 0 HD2 HIS A 66 6.721 -27.633 10.633 1.00 1.24 H new ATOM 0 HE1 HIS A 66 7.770 -26.292 6.751 1.00 14.53 H new ATOM 0 HE2 HIS A 66 7.165 -28.321 8.157 1.00 13.53 H new TER 1073 HIS A 66