USER MOD reduce.3.24.130724 H: found=0, std=0, add=689, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 576 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 18 CYS SG : rot 180:sc= 0.561 USER MOD Set 1.2: A 19 HIS : no HD1:sc= 0 X(o=0.56,f=0.56) USER MOD Set 2.1: A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 2 ASN : amide:sc= -0.27 K(o=-0.27,f=-2.7!) USER MOD Single : A 1 MET CE :methyl 158:sc= -0.152 (180deg=-0.854) USER MOD Single : A 3 ASN : amide:sc= 0 K(o=0,f=-0.67) USER MOD Single : A 4 GLN : amide:sc= 0.0639 X(o=0.064,f=-0.36) USER MOD Single : A 9 LYS NZ :NH3+ 175:sc= 1.28 (180deg=1.18) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 CYS SG : rot 180:sc= 0 USER MOD Single : A 24 MET CE :methyl -159:sc= -0.317 (180deg=-1.06) USER MOD Single : A 27 SER OG : rot 82:sc= 0.98 USER MOD Single : A 32 GLN : amide:sc= -1.46! X(o=-1.5!,f=-1.9) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ -171:sc= -0.196 (180deg=-0.363) USER MOD Single : A 35 SER OG : rot 180:sc=-0.000265 USER MOD Single : A 43 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 47 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 49 HIS : no HD1:sc= -0.0708 X(o=-0.071,f=-0.071) USER MOD Single : A 51 THR OG1 : rot 55:sc= 0.934 USER MOD Single : A 54 TYR OH : rot -101:sc= 0.096 USER MOD Single : A 55 ASN : amide:sc= 0 X(o=0,f=-0.035) USER MOD Single : A 65 ASN : amide:sc= -0.0292 K(o=-0.029,f=-1.2!) USER MOD Single : A 68 LYS NZ :NH3+ 142:sc= 1.29 (180deg=0.998) USER MOD Single : A 71 CYS SG : rot 153:sc= 1.12 USER MOD Single : A 72 HIS :FLIP no HE2:sc= 0.848 F(o=-4!,f=0.85) USER MOD Single : A 73 TYR OH : rot -156:sc= 0.489 USER MOD Single : A 77 SER OG : rot 180:sc= 0.00103 USER MOD Single : A 83 TYR OH : rot 20:sc= 1.35 USER MOD Single : A 85 SER OG : rot 180:sc= -0.035 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 2.016 32.797 6.798 1.00 41.41 N ATOM 2 CA MET A 1 2.640 32.511 5.486 1.00 43.10 C ATOM 3 C MET A 1 3.153 31.078 5.448 1.00 33.10 C ATOM 4 O MET A 1 4.312 30.816 5.776 1.00 33.21 O ATOM 5 CB MET A 1 3.790 33.486 5.219 1.00 61.55 C ATOM 6 CG MET A 1 4.457 33.292 3.869 1.00 11.30 C ATOM 7 SD MET A 1 5.872 34.390 3.636 1.00 12.22 S ATOM 8 CE MET A 1 6.962 33.825 4.943 1.00 21.42 C ATOM 0 H1 MET A 1 1.670 33.778 6.811 1.00 41.41 H new ATOM 0 H2 MET A 1 1.219 32.147 6.953 1.00 41.41 H new ATOM 0 H3 MET A 1 2.720 32.668 7.553 1.00 41.41 H new ATOM 0 HA MET A 1 1.886 32.637 4.709 1.00 43.10 H new ATOM 0 HB2 MET A 1 3.411 34.506 5.283 1.00 61.55 H new ATOM 0 HB3 MET A 1 4.539 33.374 6.003 1.00 61.55 H new ATOM 0 HG2 MET A 1 4.784 32.257 3.774 1.00 11.30 H new ATOM 0 HG3 MET A 1 3.728 33.470 3.078 1.00 11.30 H new ATOM 0 HE1 MET A 1 7.989 34.104 4.706 1.00 21.42 H new ATOM 0 HE2 MET A 1 6.669 34.286 5.886 1.00 21.42 H new ATOM 0 HE3 MET A 1 6.892 32.741 5.032 1.00 21.42 H new ATOM 15 N ASN A 2 2.277 30.156 5.069 1.00 43.34 N ATOM 16 CA ASN A 2 2.606 28.736 5.031 1.00 31.44 C ATOM 17 C ASN A 2 1.421 27.906 4.550 1.00 31.40 C ATOM 18 O ASN A 2 0.305 28.031 5.056 1.00 24.33 O ATOM 19 CB ASN A 2 3.063 28.214 6.410 1.00 51.13 C ATOM 20 CG ASN A 2 2.033 28.402 7.518 1.00 60.35 C ATOM 21 OD1 ASN A 2 1.322 29.409 7.574 1.00 3.15 O ATOM 22 ND2 ASN A 2 1.942 27.424 8.411 1.00 21.22 N ATOM 0 H ASN A 2 1.322 30.370 4.780 1.00 43.34 H new ATOM 0 HA ASN A 2 3.431 28.629 4.326 1.00 31.44 H new ATOM 0 HB2 ASN A 2 3.300 27.154 6.325 1.00 51.13 H new ATOM 0 HB3 ASN A 2 3.983 28.725 6.693 1.00 51.13 H new ATOM 0 HD21 ASN A 2 1.268 27.491 9.174 1.00 21.22 H new ATOM 0 HD22 ASN A 2 2.546 26.605 8.334 1.00 21.22 H new ATOM 28 N ASN A 3 1.670 27.076 3.551 1.00 61.50 N ATOM 29 CA ASN A 3 0.711 26.063 3.139 1.00 61.32 C ATOM 30 C ASN A 3 1.431 24.728 3.061 1.00 70.02 C ATOM 31 O ASN A 3 1.820 24.275 1.981 1.00 32.23 O ATOM 32 CB ASN A 3 0.067 26.403 1.789 1.00 71.44 C ATOM 33 CG ASN A 3 -0.993 25.392 1.381 1.00 4.42 C ATOM 34 OD1 ASN A 3 -1.679 24.813 2.223 1.00 32.42 O ATOM 35 ND2 ASN A 3 -1.132 25.170 0.082 1.00 42.02 N ATOM 0 H ASN A 3 2.533 27.084 3.007 1.00 61.50 H new ATOM 0 HA ASN A 3 -0.095 26.019 3.871 1.00 61.32 H new ATOM 0 HB2 ASN A 3 -0.382 27.395 1.843 1.00 71.44 H new ATOM 0 HB3 ASN A 3 0.840 26.445 1.021 1.00 71.44 H new ATOM 0 HD21 ASN A 3 -1.826 24.500 -0.249 1.00 42.02 H new ATOM 0 HD22 ASN A 3 -0.545 25.669 -0.586 1.00 42.02 H new ATOM 41 N GLN A 4 1.649 24.125 4.220 1.00 75.33 N ATOM 42 CA GLN A 4 2.463 22.931 4.312 1.00 4.04 C ATOM 43 C GLN A 4 1.651 21.686 3.987 1.00 0.41 C ATOM 44 O GLN A 4 1.032 21.072 4.860 1.00 74.20 O ATOM 45 CB GLN A 4 3.105 22.822 5.700 1.00 24.04 C ATOM 46 CG GLN A 4 4.026 21.625 5.860 1.00 42.22 C ATOM 47 CD GLN A 4 4.793 21.645 7.166 1.00 5.10 C ATOM 48 OE1 GLN A 4 4.331 22.188 8.172 1.00 24.12 O ATOM 49 NE2 GLN A 4 5.968 21.038 7.161 1.00 0.13 N ATOM 0 H GLN A 4 1.270 24.447 5.111 1.00 75.33 H new ATOM 0 HA GLN A 4 3.260 23.007 3.572 1.00 4.04 H new ATOM 0 HB2 GLN A 4 3.670 23.732 5.901 1.00 24.04 H new ATOM 0 HB3 GLN A 4 2.317 22.764 6.451 1.00 24.04 H new ATOM 0 HG2 GLN A 4 3.437 20.709 5.804 1.00 42.22 H new ATOM 0 HG3 GLN A 4 4.732 21.602 5.030 1.00 42.22 H new ATOM 0 HE21 GLN A 4 6.313 20.601 6.306 1.00 0.13 H new ATOM 0 HE22 GLN A 4 6.529 21.007 8.012 1.00 0.13 H new ATOM 56 N VAL A 5 1.627 21.352 2.709 1.00 22.33 N ATOM 57 CA VAL A 5 1.035 20.114 2.250 1.00 24.12 C ATOM 58 C VAL A 5 2.139 19.134 1.903 1.00 2.34 C ATOM 59 O VAL A 5 3.092 19.473 1.192 1.00 64.23 O ATOM 60 CB VAL A 5 0.112 20.327 1.035 1.00 22.25 C ATOM 61 CG1 VAL A 5 -1.114 21.126 1.439 1.00 73.24 C ATOM 62 CG2 VAL A 5 0.858 21.029 -0.088 1.00 15.13 C ATOM 0 H VAL A 5 2.016 21.931 1.965 1.00 22.33 H new ATOM 0 HA VAL A 5 0.417 19.715 3.054 1.00 24.12 H new ATOM 0 HB VAL A 5 -0.212 19.352 0.672 1.00 22.25 H new ATOM 0 HG11 VAL A 5 -1.757 21.269 0.571 1.00 73.24 H new ATOM 0 HG12 VAL A 5 -1.662 20.586 2.212 1.00 73.24 H new ATOM 0 HG13 VAL A 5 -0.804 22.097 1.825 1.00 73.24 H new ATOM 0 HG21 VAL A 5 0.189 21.170 -0.937 1.00 15.13 H new ATOM 0 HG22 VAL A 5 1.211 21.999 0.261 1.00 15.13 H new ATOM 0 HG23 VAL A 5 1.710 20.422 -0.394 1.00 15.13 H new ATOM 72 N GLU A 6 2.035 17.934 2.426 1.00 62.14 N ATOM 73 CA GLU A 6 3.110 16.970 2.308 1.00 55.11 C ATOM 74 C GLU A 6 2.573 15.619 1.855 1.00 71.23 C ATOM 75 O GLU A 6 1.390 15.328 2.036 1.00 71.50 O ATOM 76 CB GLU A 6 3.837 16.864 3.651 1.00 55.14 C ATOM 77 CG GLU A 6 4.266 18.223 4.190 1.00 4.21 C ATOM 78 CD GLU A 6 5.128 18.131 5.434 1.00 74.15 C ATOM 79 OE1 GLU A 6 4.633 17.664 6.481 1.00 63.24 O ATOM 80 OE2 GLU A 6 6.306 18.542 5.373 1.00 41.15 O ATOM 0 H GLU A 6 1.218 17.600 2.938 1.00 62.14 H new ATOM 0 HA GLU A 6 3.820 17.303 1.551 1.00 55.11 H new ATOM 0 HB2 GLU A 6 3.185 16.378 4.377 1.00 55.14 H new ATOM 0 HB3 GLU A 6 4.715 16.228 3.536 1.00 55.14 H new ATOM 0 HG2 GLU A 6 4.816 18.756 3.414 1.00 4.21 H new ATOM 0 HG3 GLU A 6 3.378 18.814 4.415 1.00 4.21 H new ATOM 85 N PRO A 7 3.431 14.786 1.244 1.00 30.33 N ATOM 86 CA PRO A 7 3.018 13.500 0.674 1.00 51.25 C ATOM 87 C PRO A 7 2.633 12.477 1.736 1.00 12.33 C ATOM 88 O PRO A 7 2.780 12.710 2.941 1.00 11.34 O ATOM 89 CB PRO A 7 4.262 13.036 -0.084 1.00 24.23 C ATOM 90 CG PRO A 7 5.393 13.682 0.626 1.00 72.35 C ATOM 91 CD PRO A 7 4.876 15.023 1.069 1.00 41.31 C ATOM 0 HA PRO A 7 2.129 13.603 0.052 1.00 51.25 H new ATOM 0 HB2 PRO A 7 4.353 11.950 -0.070 1.00 24.23 H new ATOM 0 HB3 PRO A 7 4.225 13.339 -1.130 1.00 24.23 H new ATOM 0 HG2 PRO A 7 5.714 13.084 1.479 1.00 72.35 H new ATOM 0 HG3 PRO A 7 6.257 13.791 -0.030 1.00 72.35 H new ATOM 0 HD2 PRO A 7 5.346 15.349 1.997 1.00 41.31 H new ATOM 0 HD3 PRO A 7 5.070 15.795 0.325 1.00 41.31 H new ATOM 96 N ARG A 8 2.128 11.345 1.283 1.00 42.54 N ATOM 97 CA ARG A 8 1.754 10.262 2.177 1.00 30.13 C ATOM 98 C ARG A 8 2.756 9.123 2.025 1.00 11.31 C ATOM 99 O ARG A 8 3.789 9.294 1.376 1.00 2.52 O ATOM 100 CB ARG A 8 0.347 9.760 1.842 1.00 64.02 C ATOM 101 CG ARG A 8 -0.713 10.854 1.730 1.00 45.15 C ATOM 102 CD ARG A 8 -1.075 11.461 3.080 1.00 10.03 C ATOM 103 NE ARG A 8 -0.010 12.300 3.627 1.00 13.42 N ATOM 104 CZ ARG A 8 -0.221 13.350 4.422 1.00 73.02 C ATOM 105 NH1 ARG A 8 -1.457 13.741 4.707 1.00 0.43 N ATOM 106 NH2 ARG A 8 0.806 14.029 4.910 1.00 25.33 N ATOM 0 H ARG A 8 1.966 11.150 0.295 1.00 42.54 H new ATOM 0 HA ARG A 8 1.759 10.625 3.205 1.00 30.13 H new ATOM 0 HB2 ARG A 8 0.386 9.214 0.900 1.00 64.02 H new ATOM 0 HB3 ARG A 8 0.037 9.050 2.609 1.00 64.02 H new ATOM 0 HG2 ARG A 8 -0.350 11.640 1.068 1.00 45.15 H new ATOM 0 HG3 ARG A 8 -1.610 10.440 1.270 1.00 45.15 H new ATOM 0 HD2 ARG A 8 -1.982 12.056 2.974 1.00 10.03 H new ATOM 0 HD3 ARG A 8 -1.299 10.660 3.785 1.00 10.03 H new ATOM 0 HE ARG A 8 0.954 12.068 3.386 1.00 13.42 H new ATOM 0 HH11 ARG A 8 -2.254 13.237 4.317 1.00 0.43 H new ATOM 0 HH12 ARG A 8 -1.610 14.545 5.316 1.00 0.43 H new ATOM 0 HH21 ARG A 8 1.759 13.749 4.678 1.00 25.33 H new ATOM 0 HH22 ARG A 8 0.644 14.832 5.518 1.00 25.33 H new ATOM 117 N LYS A 9 2.462 7.974 2.616 1.00 4.12 N ATOM 118 CA LYS A 9 3.269 6.787 2.378 1.00 54.22 C ATOM 119 C LYS A 9 2.406 5.538 2.419 1.00 3.41 C ATOM 120 O LYS A 9 1.641 5.324 3.361 1.00 21.43 O ATOM 121 CB LYS A 9 4.419 6.652 3.379 1.00 10.22 C ATOM 122 CG LYS A 9 5.362 5.513 3.017 1.00 74.32 C ATOM 123 CD LYS A 9 6.481 5.327 4.025 1.00 71.35 C ATOM 124 CE LYS A 9 7.468 4.278 3.534 1.00 43.52 C ATOM 125 NZ LYS A 9 8.495 3.940 4.553 1.00 53.12 N ATOM 0 H LYS A 9 1.680 7.839 3.257 1.00 4.12 H new ATOM 0 HA LYS A 9 3.706 6.898 1.386 1.00 54.22 H new ATOM 0 HB2 LYS A 9 4.978 7.587 3.417 1.00 10.22 H new ATOM 0 HB3 LYS A 9 4.013 6.483 4.376 1.00 10.22 H new ATOM 0 HG2 LYS A 9 4.792 4.587 2.940 1.00 74.32 H new ATOM 0 HG3 LYS A 9 5.793 5.704 2.034 1.00 74.32 H new ATOM 0 HD2 LYS A 9 6.996 6.274 4.185 1.00 71.35 H new ATOM 0 HD3 LYS A 9 6.066 5.024 4.986 1.00 71.35 H new ATOM 0 HE2 LYS A 9 6.925 3.374 3.257 1.00 43.52 H new ATOM 0 HE3 LYS A 9 7.961 4.642 2.633 1.00 43.52 H new ATOM 0 HZ1 LYS A 9 9.090 3.162 4.202 1.00 53.12 H new ATOM 0 HZ2 LYS A 9 9.089 4.774 4.738 1.00 53.12 H new ATOM 0 HZ3 LYS A 9 8.027 3.647 5.434 1.00 53.12 H new ATOM 135 N LEU A 10 2.526 4.727 1.383 1.00 4.22 N ATOM 136 CA LEU A 10 1.808 3.470 1.305 1.00 34.23 C ATOM 137 C LEU A 10 2.784 2.306 1.324 1.00 2.40 C ATOM 138 O LEU A 10 3.760 2.287 0.571 1.00 15.24 O ATOM 139 CB LEU A 10 0.970 3.403 0.028 1.00 62.41 C ATOM 140 CG LEU A 10 -0.062 4.514 -0.140 1.00 44.44 C ATOM 141 CD1 LEU A 10 -0.841 4.316 -1.430 1.00 33.31 C ATOM 142 CD2 LEU A 10 -1.002 4.564 1.055 1.00 61.11 C ATOM 0 H LEU A 10 3.121 4.921 0.577 1.00 4.22 H new ATOM 0 HA LEU A 10 1.146 3.406 2.168 1.00 34.23 H new ATOM 0 HB2 LEU A 10 1.643 3.424 -0.829 1.00 62.41 H new ATOM 0 HB3 LEU A 10 0.453 2.444 0.004 1.00 62.41 H new ATOM 0 HG LEU A 10 0.463 5.468 -0.194 1.00 44.44 H new ATOM 0 HD11 LEU A 10 -1.574 5.115 -1.539 1.00 33.31 H new ATOM 0 HD12 LEU A 10 -0.154 4.336 -2.276 1.00 33.31 H new ATOM 0 HD13 LEU A 10 -1.354 3.355 -1.402 1.00 33.31 H new ATOM 0 HD21 LEU A 10 -1.729 5.364 0.913 1.00 61.11 H new ATOM 0 HD22 LEU A 10 -1.524 3.611 1.148 1.00 61.11 H new ATOM 0 HD23 LEU A 10 -0.428 4.753 1.962 1.00 61.11 H new ATOM 153 N VAL A 11 2.526 1.348 2.192 1.00 54.32 N ATOM 154 CA VAL A 11 3.320 0.138 2.229 1.00 23.32 C ATOM 155 C VAL A 11 2.514 -1.019 1.675 1.00 10.35 C ATOM 156 O VAL A 11 1.396 -1.275 2.117 1.00 43.35 O ATOM 157 CB VAL A 11 3.792 -0.215 3.652 1.00 34.11 C ATOM 158 CG1 VAL A 11 4.512 -1.557 3.651 1.00 44.21 C ATOM 159 CG2 VAL A 11 4.692 0.878 4.203 1.00 34.50 C ATOM 0 H VAL A 11 1.774 1.385 2.880 1.00 54.32 H new ATOM 0 HA VAL A 11 4.206 0.318 1.620 1.00 23.32 H new ATOM 0 HB VAL A 11 2.918 -0.293 4.299 1.00 34.11 H new ATOM 0 HG11 VAL A 11 4.840 -1.794 4.663 1.00 44.21 H new ATOM 0 HG12 VAL A 11 3.834 -2.334 3.298 1.00 44.21 H new ATOM 0 HG13 VAL A 11 5.378 -1.505 2.991 1.00 44.21 H new ATOM 0 HG21 VAL A 11 5.015 0.610 5.209 1.00 34.50 H new ATOM 0 HG22 VAL A 11 5.564 0.990 3.559 1.00 34.50 H new ATOM 0 HG23 VAL A 11 4.143 1.819 4.237 1.00 34.50 H new ATOM 169 N VAL A 12 3.071 -1.704 0.703 1.00 15.40 N ATOM 170 CA VAL A 12 2.428 -2.869 0.146 1.00 10.53 C ATOM 171 C VAL A 12 3.134 -4.129 0.617 1.00 63.11 C ATOM 172 O VAL A 12 4.271 -4.410 0.228 1.00 54.12 O ATOM 173 CB VAL A 12 2.388 -2.827 -1.395 1.00 40.44 C ATOM 174 CG1 VAL A 12 1.946 -4.169 -1.953 1.00 30.30 C ATOM 175 CG2 VAL A 12 1.461 -1.729 -1.875 1.00 63.13 C ATOM 0 H VAL A 12 3.971 -1.473 0.281 1.00 15.40 H new ATOM 0 HA VAL A 12 1.397 -2.875 0.499 1.00 10.53 H new ATOM 0 HB VAL A 12 3.394 -2.614 -1.757 1.00 40.44 H new ATOM 0 HG11 VAL A 12 1.924 -4.121 -3.042 1.00 30.30 H new ATOM 0 HG12 VAL A 12 2.647 -4.942 -1.638 1.00 30.30 H new ATOM 0 HG13 VAL A 12 0.950 -4.408 -1.580 1.00 30.30 H new ATOM 0 HG21 VAL A 12 1.447 -1.716 -2.965 1.00 63.13 H new ATOM 0 HG22 VAL A 12 0.454 -1.914 -1.501 1.00 63.13 H new ATOM 0 HG23 VAL A 12 1.815 -0.767 -1.505 1.00 63.13 H new ATOM 185 N TYR A 13 2.470 -4.867 1.490 1.00 31.41 N ATOM 186 CA TYR A 13 2.978 -6.153 1.930 1.00 52.54 C ATOM 187 C TYR A 13 2.626 -7.208 0.892 1.00 23.32 C ATOM 188 O TYR A 13 1.456 -7.553 0.711 1.00 71.20 O ATOM 189 CB TYR A 13 2.404 -6.523 3.299 1.00 21.35 C ATOM 190 CG TYR A 13 2.853 -5.608 4.417 1.00 4.24 C ATOM 191 CD1 TYR A 13 4.089 -5.782 5.025 1.00 10.23 C ATOM 192 CD2 TYR A 13 2.041 -4.574 4.865 1.00 60.53 C ATOM 193 CE1 TYR A 13 4.504 -4.950 6.049 1.00 4.32 C ATOM 194 CE2 TYR A 13 2.448 -3.739 5.888 1.00 72.11 C ATOM 195 CZ TYR A 13 3.679 -3.930 6.477 1.00 4.44 C ATOM 196 OH TYR A 13 4.090 -3.098 7.493 1.00 72.43 O ATOM 0 H TYR A 13 1.579 -4.597 1.907 1.00 31.41 H new ATOM 0 HA TYR A 13 4.062 -6.097 2.033 1.00 52.54 H new ATOM 0 HB2 TYR A 13 1.316 -6.506 3.243 1.00 21.35 H new ATOM 0 HB3 TYR A 13 2.695 -7.546 3.540 1.00 21.35 H new ATOM 0 HD1 TYR A 13 4.737 -6.580 4.693 1.00 10.23 H new ATOM 0 HD2 TYR A 13 1.076 -4.420 4.406 1.00 60.53 H new ATOM 0 HE1 TYR A 13 5.469 -5.098 6.511 1.00 4.32 H new ATOM 0 HE2 TYR A 13 1.804 -2.940 6.225 1.00 72.11 H new ATOM 0 HH TYR A 13 3.393 -2.433 7.673 1.00 72.43 H new ATOM 205 N GLY A 14 3.633 -7.705 0.202 1.00 0.50 N ATOM 206 CA GLY A 14 3.391 -8.607 -0.899 1.00 51.22 C ATOM 207 C GLY A 14 3.905 -10.001 -0.643 1.00 2.14 C ATOM 208 O GLY A 14 4.607 -10.253 0.338 1.00 41.34 O ATOM 0 H GLY A 14 4.616 -7.501 0.384 1.00 0.50 H new ATOM 0 HA2 GLY A 14 2.320 -8.651 -1.096 1.00 51.22 H new ATOM 0 HA3 GLY A 14 3.865 -8.210 -1.797 1.00 51.22 H new ATOM 212 N ARG A 15 3.547 -10.906 -1.537 1.00 71.15 N ATOM 213 CA ARG A 15 3.934 -12.301 -1.435 1.00 14.01 C ATOM 214 C ARG A 15 3.820 -12.933 -2.815 1.00 73.41 C ATOM 215 O ARG A 15 3.723 -14.152 -2.955 1.00 4.15 O ATOM 216 CB ARG A 15 3.013 -13.006 -0.440 1.00 42.31 C ATOM 217 CG ARG A 15 3.519 -14.352 0.056 1.00 61.24 C ATOM 218 CD ARG A 15 2.522 -15.001 1.008 1.00 55.02 C ATOM 219 NE ARG A 15 3.097 -16.144 1.718 1.00 12.04 N ATOM 220 CZ ARG A 15 2.396 -17.197 2.146 1.00 11.11 C ATOM 221 NH1 ARG A 15 1.101 -17.302 1.876 1.00 0.01 N ATOM 222 NH2 ARG A 15 3.005 -18.149 2.836 1.00 74.22 N ATOM 0 H ARG A 15 2.978 -10.693 -2.356 1.00 71.15 H new ATOM 0 HA ARG A 15 4.961 -12.393 -1.081 1.00 14.01 H new ATOM 0 HB2 ARG A 15 2.861 -12.352 0.419 1.00 42.31 H new ATOM 0 HB3 ARG A 15 2.039 -13.150 -0.907 1.00 42.31 H new ATOM 0 HG2 ARG A 15 3.697 -15.012 -0.793 1.00 61.24 H new ATOM 0 HG3 ARG A 15 4.475 -14.220 0.562 1.00 61.24 H new ATOM 0 HD2 ARG A 15 2.179 -14.261 1.732 1.00 55.02 H new ATOM 0 HD3 ARG A 15 1.646 -15.327 0.447 1.00 55.02 H new ATOM 0 HE ARG A 15 4.101 -16.136 1.898 1.00 12.04 H new ATOM 0 HH11 ARG A 15 0.632 -16.574 1.337 1.00 0.01 H new ATOM 0 HH12 ARG A 15 0.575 -18.110 2.208 1.00 0.01 H new ATOM 0 HH21 ARG A 15 4.002 -18.075 3.037 1.00 74.22 H new ATOM 0 HH22 ARG A 15 2.477 -18.957 3.167 1.00 74.22 H new ATOM 233 N GLU A 16 3.860 -12.061 -3.821 1.00 21.04 N ATOM 234 CA GLU A 16 3.612 -12.430 -5.214 1.00 45.33 C ATOM 235 C GLU A 16 2.189 -12.963 -5.373 1.00 43.13 C ATOM 236 O GLU A 16 1.234 -12.185 -5.469 1.00 14.34 O ATOM 237 CB GLU A 16 4.643 -13.450 -5.712 1.00 60.24 C ATOM 238 CG GLU A 16 6.071 -12.925 -5.715 1.00 45.10 C ATOM 239 CD GLU A 16 7.069 -13.973 -6.157 1.00 11.25 C ATOM 240 OE1 GLU A 16 7.133 -14.268 -7.368 1.00 24.12 O ATOM 241 OE2 GLU A 16 7.790 -14.519 -5.294 1.00 42.55 O ATOM 0 H GLU A 16 4.067 -11.071 -3.691 1.00 21.04 H new ATOM 0 HA GLU A 16 3.717 -11.536 -5.829 1.00 45.33 H new ATOM 0 HB2 GLU A 16 4.594 -14.339 -5.084 1.00 60.24 H new ATOM 0 HB3 GLU A 16 4.377 -13.759 -6.723 1.00 60.24 H new ATOM 0 HG2 GLU A 16 6.137 -12.062 -6.378 1.00 45.10 H new ATOM 0 HG3 GLU A 16 6.330 -12.579 -4.714 1.00 45.10 H new ATOM 246 N GLY A 17 2.042 -14.278 -5.369 1.00 21.53 N ATOM 247 CA GLY A 17 0.728 -14.878 -5.414 1.00 62.33 C ATOM 248 C GLY A 17 0.143 -14.925 -6.812 1.00 33.43 C ATOM 249 O GLY A 17 0.346 -15.894 -7.541 1.00 72.43 O ATOM 0 H GLY A 17 2.815 -14.943 -5.335 1.00 21.53 H new ATOM 0 HA2 GLY A 17 0.784 -15.891 -5.016 1.00 62.33 H new ATOM 0 HA3 GLY A 17 0.056 -14.317 -4.764 1.00 62.33 H new ATOM 253 N CYS A 18 -0.563 -13.870 -7.199 1.00 54.12 N ATOM 254 CA CYS A 18 -1.293 -13.872 -8.458 1.00 44.24 C ATOM 255 C CYS A 18 -1.240 -12.491 -9.125 1.00 40.53 C ATOM 256 O CYS A 18 -0.481 -11.614 -8.702 1.00 21.11 O ATOM 257 CB CYS A 18 -2.742 -14.312 -8.208 1.00 21.44 C ATOM 258 SG CYS A 18 -3.652 -14.798 -9.695 1.00 2.01 S ATOM 0 H CYS A 18 -0.645 -13.007 -6.662 1.00 54.12 H new ATOM 0 HA CYS A 18 -0.823 -14.580 -9.141 1.00 44.24 H new ATOM 0 HB2 CYS A 18 -2.738 -15.150 -7.511 1.00 21.44 H new ATOM 0 HB3 CYS A 18 -3.276 -13.496 -7.722 1.00 21.44 H new ATOM 0 HG CYS A 18 -4.859 -15.152 -9.368 1.00 2.01 H new ATOM 263 N HIS A 19 -2.074 -12.296 -10.145 1.00 11.11 N ATOM 264 CA HIS A 19 -1.993 -11.122 -11.013 1.00 14.41 C ATOM 265 C HIS A 19 -2.392 -9.831 -10.309 1.00 32.44 C ATOM 266 O HIS A 19 -1.879 -8.771 -10.646 1.00 53.03 O ATOM 267 CB HIS A 19 -2.848 -11.313 -12.265 1.00 42.22 C ATOM 268 CG HIS A 19 -2.227 -12.212 -13.288 1.00 10.42 C ATOM 269 ND1 HIS A 19 -1.816 -11.767 -14.526 1.00 73.14 N ATOM 270 CD2 HIS A 19 -1.947 -13.536 -13.257 1.00 33.02 C ATOM 271 CE1 HIS A 19 -1.311 -12.774 -15.209 1.00 5.02 C ATOM 272 NE2 HIS A 19 -1.375 -13.862 -14.462 1.00 41.34 N ATOM 0 H HIS A 19 -2.822 -12.944 -10.393 1.00 11.11 H new ATOM 0 HA HIS A 19 -0.945 -11.026 -11.296 1.00 14.41 H new ATOM 0 HB2 HIS A 19 -3.815 -11.722 -11.974 1.00 42.22 H new ATOM 0 HB3 HIS A 19 -3.037 -10.339 -12.717 1.00 42.22 H new ATOM 0 HD2 HIS A 19 -2.138 -14.211 -12.436 1.00 33.02 H new ATOM 0 HE1 HIS A 19 -0.912 -12.719 -16.211 1.00 5.02 H new ATOM 0 HE2 HIS A 19 -1.053 -14.790 -14.735 1.00 41.34 H new ATOM 279 N LEU A 20 -3.295 -9.907 -9.337 1.00 63.01 N ATOM 280 CA LEU A 20 -3.737 -8.702 -8.623 1.00 64.11 C ATOM 281 C LEU A 20 -2.554 -7.916 -8.060 1.00 41.31 C ATOM 282 O LEU A 20 -2.603 -6.691 -7.967 1.00 62.30 O ATOM 283 CB LEU A 20 -4.723 -9.046 -7.502 1.00 11.44 C ATOM 284 CG LEU A 20 -6.133 -9.416 -7.969 1.00 32.42 C ATOM 285 CD1 LEU A 20 -7.039 -9.670 -6.775 1.00 41.42 C ATOM 286 CD2 LEU A 20 -6.712 -8.322 -8.854 1.00 13.42 C ATOM 0 H LEU A 20 -3.733 -10.774 -9.025 1.00 63.01 H new ATOM 0 HA LEU A 20 -4.249 -8.073 -9.351 1.00 64.11 H new ATOM 0 HB2 LEU A 20 -4.318 -9.878 -6.925 1.00 11.44 H new ATOM 0 HB3 LEU A 20 -4.793 -8.194 -6.826 1.00 11.44 H new ATOM 0 HG LEU A 20 -6.069 -10.332 -8.556 1.00 32.42 H new ATOM 0 HD11 LEU A 20 -8.037 -9.932 -7.125 1.00 41.42 H new ATOM 0 HD12 LEU A 20 -6.636 -10.490 -6.181 1.00 41.42 H new ATOM 0 HD13 LEU A 20 -7.094 -8.770 -6.162 1.00 41.42 H new ATOM 0 HD21 LEU A 20 -7.714 -8.606 -9.175 1.00 13.42 H new ATOM 0 HD22 LEU A 20 -6.761 -7.388 -8.294 1.00 13.42 H new ATOM 0 HD23 LEU A 20 -6.076 -8.187 -9.729 1.00 13.42 H new ATOM 297 N CYS A 21 -1.490 -8.624 -7.700 1.00 72.22 N ATOM 298 CA CYS A 21 -0.300 -7.994 -7.149 1.00 0.45 C ATOM 299 C CYS A 21 0.303 -7.000 -8.145 1.00 53.30 C ATOM 300 O CYS A 21 0.588 -5.858 -7.787 1.00 11.43 O ATOM 301 CB CYS A 21 0.732 -9.060 -6.775 1.00 22.12 C ATOM 302 SG CYS A 21 2.132 -8.438 -5.814 1.00 13.02 S ATOM 0 H CYS A 21 -1.429 -9.639 -7.781 1.00 72.22 H new ATOM 0 HA CYS A 21 -0.586 -7.445 -6.252 1.00 0.45 H new ATOM 0 HB2 CYS A 21 0.235 -9.845 -6.205 1.00 22.12 H new ATOM 0 HB3 CYS A 21 1.109 -9.520 -7.688 1.00 22.12 H new ATOM 0 HG CYS A 21 2.945 -9.417 -5.548 1.00 13.02 H new ATOM 307 N GLU A 22 0.472 -7.425 -9.396 1.00 5.51 N ATOM 308 CA GLU A 22 1.079 -6.567 -10.414 1.00 13.41 C ATOM 309 C GLU A 22 0.103 -5.477 -10.856 1.00 51.33 C ATOM 310 O GLU A 22 0.511 -4.358 -11.180 1.00 51.02 O ATOM 311 CB GLU A 22 1.543 -7.386 -11.624 1.00 73.41 C ATOM 312 CG GLU A 22 0.423 -8.151 -12.311 1.00 43.35 C ATOM 313 CD GLU A 22 0.887 -8.934 -13.518 1.00 0.02 C ATOM 314 OE1 GLU A 22 1.535 -9.983 -13.338 1.00 10.52 O ATOM 315 OE2 GLU A 22 0.592 -8.506 -14.653 1.00 3.51 O ATOM 0 H GLU A 22 0.200 -8.350 -9.728 1.00 5.51 H new ATOM 0 HA GLU A 22 1.953 -6.093 -9.968 1.00 13.41 H new ATOM 0 HB2 GLU A 22 2.010 -6.717 -12.347 1.00 73.41 H new ATOM 0 HB3 GLU A 22 2.308 -8.092 -11.302 1.00 73.41 H new ATOM 0 HG2 GLU A 22 -0.032 -8.836 -11.595 1.00 43.35 H new ATOM 0 HG3 GLU A 22 -0.352 -7.449 -12.618 1.00 43.35 H new ATOM 320 N GLU A 23 -1.184 -5.809 -10.853 1.00 3.53 N ATOM 321 CA GLU A 23 -2.233 -4.856 -11.202 1.00 24.14 C ATOM 322 C GLU A 23 -2.216 -3.682 -10.232 1.00 53.34 C ATOM 323 O GLU A 23 -2.363 -2.522 -10.629 1.00 75.34 O ATOM 324 CB GLU A 23 -3.598 -5.548 -11.184 1.00 44.24 C ATOM 325 CG GLU A 23 -3.712 -6.666 -12.207 1.00 65.10 C ATOM 326 CD GLU A 23 -5.050 -7.381 -12.165 1.00 42.14 C ATOM 327 OE1 GLU A 23 -6.082 -6.745 -12.468 1.00 71.42 O ATOM 328 OE2 GLU A 23 -5.074 -8.587 -11.833 1.00 14.25 O ATOM 0 H GLU A 23 -1.528 -6.738 -10.611 1.00 3.53 H new ATOM 0 HA GLU A 23 -2.049 -4.477 -12.208 1.00 24.14 H new ATOM 0 HB2 GLU A 23 -3.780 -5.954 -10.189 1.00 44.24 H new ATOM 0 HB3 GLU A 23 -4.376 -4.809 -11.374 1.00 44.24 H new ATOM 0 HG2 GLU A 23 -3.559 -6.254 -13.204 1.00 65.10 H new ATOM 0 HG3 GLU A 23 -2.915 -7.390 -12.035 1.00 65.10 H new ATOM 333 N MET A 24 -2.020 -3.991 -8.959 1.00 53.10 N ATOM 334 CA MET A 24 -1.900 -2.966 -7.930 1.00 43.13 C ATOM 335 C MET A 24 -0.647 -2.122 -8.149 1.00 60.12 C ATOM 336 O MET A 24 -0.707 -0.896 -8.101 1.00 23.23 O ATOM 337 CB MET A 24 -1.856 -3.601 -6.540 1.00 71.01 C ATOM 338 CG MET A 24 -3.165 -4.246 -6.116 1.00 23.41 C ATOM 339 SD MET A 24 -4.444 -3.042 -5.724 1.00 12.15 S ATOM 340 CE MET A 24 -3.771 -2.319 -4.227 1.00 42.41 C ATOM 0 H MET A 24 -1.940 -4.947 -8.612 1.00 53.10 H new ATOM 0 HA MET A 24 -2.776 -2.320 -7.998 1.00 43.13 H new ATOM 0 HB2 MET A 24 -1.068 -4.354 -6.520 1.00 71.01 H new ATOM 0 HB3 MET A 24 -1.586 -2.837 -5.811 1.00 71.01 H new ATOM 0 HG2 MET A 24 -3.519 -4.897 -6.915 1.00 23.41 H new ATOM 0 HG3 MET A 24 -2.988 -4.877 -5.245 1.00 23.41 H new ATOM 0 HE1 MET A 24 -4.572 -1.845 -3.660 1.00 42.41 H new ATOM 0 HE2 MET A 24 -3.310 -3.099 -3.621 1.00 42.41 H new ATOM 0 HE3 MET A 24 -3.021 -1.573 -4.489 1.00 42.41 H new ATOM 348 N ILE A 25 0.477 -2.789 -8.410 1.00 4.24 N ATOM 349 CA ILE A 25 1.760 -2.109 -8.602 1.00 52.14 C ATOM 350 C ILE A 25 1.682 -1.072 -9.721 1.00 30.41 C ATOM 351 O ILE A 25 2.101 0.075 -9.545 1.00 21.33 O ATOM 352 CB ILE A 25 2.898 -3.110 -8.908 1.00 11.11 C ATOM 353 CG1 ILE A 25 3.112 -4.049 -7.715 1.00 1.22 C ATOM 354 CG2 ILE A 25 4.189 -2.373 -9.246 1.00 2.31 C ATOM 355 CD1 ILE A 25 4.146 -5.126 -7.969 1.00 64.34 C ATOM 0 H ILE A 25 0.526 -3.804 -8.494 1.00 4.24 H new ATOM 0 HA ILE A 25 1.984 -1.601 -7.664 1.00 52.14 H new ATOM 0 HB ILE A 25 2.610 -3.705 -9.774 1.00 11.11 H new ATOM 0 HG12 ILE A 25 3.418 -3.460 -6.850 1.00 1.22 H new ATOM 0 HG13 ILE A 25 2.163 -4.521 -7.460 1.00 1.22 H new ATOM 0 HG21 ILE A 25 4.976 -3.097 -9.458 1.00 2.31 H new ATOM 0 HG22 ILE A 25 4.030 -1.743 -10.121 1.00 2.31 H new ATOM 0 HG23 ILE A 25 4.485 -1.752 -8.401 1.00 2.31 H new ATOM 0 HD11 ILE A 25 4.244 -5.752 -7.082 1.00 64.34 H new ATOM 0 HD12 ILE A 25 3.832 -5.740 -8.814 1.00 64.34 H new ATOM 0 HD13 ILE A 25 5.106 -4.662 -8.194 1.00 64.34 H new ATOM 366 N ALA A 26 1.129 -1.472 -10.860 1.00 43.03 N ATOM 367 CA ALA A 26 0.995 -0.576 -12.003 1.00 45.55 C ATOM 368 C ALA A 26 0.127 0.630 -11.652 1.00 62.14 C ATOM 369 O ALA A 26 0.425 1.761 -12.037 1.00 31.34 O ATOM 370 CB ALA A 26 0.411 -1.321 -13.195 1.00 32.34 C ATOM 0 H ALA A 26 0.766 -2.412 -11.017 1.00 43.03 H new ATOM 0 HA ALA A 26 1.988 -0.214 -12.269 1.00 45.55 H new ATOM 0 HB1 ALA A 26 0.317 -0.639 -14.040 1.00 32.34 H new ATOM 0 HB2 ALA A 26 1.069 -2.146 -13.466 1.00 32.34 H new ATOM 0 HB3 ALA A 26 -0.572 -1.712 -12.933 1.00 32.34 H new ATOM 376 N SER A 27 -0.938 0.378 -10.901 1.00 23.24 N ATOM 377 CA SER A 27 -1.854 1.429 -10.484 1.00 61.13 C ATOM 378 C SER A 27 -1.163 2.433 -9.561 1.00 1.55 C ATOM 379 O SER A 27 -1.378 3.643 -9.667 1.00 51.14 O ATOM 380 CB SER A 27 -3.064 0.801 -9.788 1.00 13.22 C ATOM 381 OG SER A 27 -3.762 -0.061 -10.678 1.00 11.42 O ATOM 0 H SER A 27 -1.189 -0.553 -10.567 1.00 23.24 H new ATOM 0 HA SER A 27 -2.187 1.974 -11.367 1.00 61.13 H new ATOM 0 HB2 SER A 27 -2.736 0.240 -8.913 1.00 13.22 H new ATOM 0 HB3 SER A 27 -3.733 1.585 -9.433 1.00 13.22 H new ATOM 0 HG SER A 27 -3.318 -0.934 -10.703 1.00 11.42 H new ATOM 386 N LEU A 28 -0.311 1.924 -8.678 1.00 3.24 N ATOM 387 CA LEU A 28 0.413 2.764 -7.733 1.00 74.15 C ATOM 388 C LEU A 28 1.347 3.723 -8.461 1.00 44.31 C ATOM 389 O LEU A 28 1.485 4.882 -8.078 1.00 15.14 O ATOM 390 CB LEU A 28 1.224 1.902 -6.759 1.00 71.21 C ATOM 391 CG LEU A 28 0.412 0.897 -5.942 1.00 12.00 C ATOM 392 CD1 LEU A 28 1.328 0.035 -5.088 1.00 42.22 C ATOM 393 CD2 LEU A 28 -0.603 1.621 -5.070 1.00 43.11 C ATOM 0 H LEU A 28 -0.105 0.928 -8.598 1.00 3.24 H new ATOM 0 HA LEU A 28 -0.321 3.344 -7.174 1.00 74.15 H new ATOM 0 HB2 LEU A 28 1.980 1.358 -7.325 1.00 71.21 H new ATOM 0 HB3 LEU A 28 1.753 2.561 -6.071 1.00 71.21 H new ATOM 0 HG LEU A 28 -0.124 0.246 -6.632 1.00 12.00 H new ATOM 0 HD11 LEU A 28 0.730 -0.673 -4.514 1.00 42.22 H new ATOM 0 HD12 LEU A 28 2.019 -0.510 -5.731 1.00 42.22 H new ATOM 0 HD13 LEU A 28 1.893 0.670 -4.405 1.00 42.22 H new ATOM 0 HD21 LEU A 28 -1.174 0.892 -4.494 1.00 43.11 H new ATOM 0 HD22 LEU A 28 -0.083 2.295 -4.389 1.00 43.11 H new ATOM 0 HD23 LEU A 28 -1.281 2.196 -5.701 1.00 43.11 H new ATOM 404 N ARG A 29 1.974 3.234 -9.523 1.00 2.43 N ATOM 405 CA ARG A 29 2.939 4.026 -10.276 1.00 32.12 C ATOM 406 C ARG A 29 2.273 5.246 -10.899 1.00 2.31 C ATOM 407 O ARG A 29 2.817 6.350 -10.860 1.00 41.31 O ATOM 408 CB ARG A 29 3.602 3.180 -11.367 1.00 61.24 C ATOM 409 CG ARG A 29 4.315 1.948 -10.833 1.00 12.52 C ATOM 410 CD ARG A 29 5.363 2.311 -9.790 1.00 54.44 C ATOM 411 NE ARG A 29 6.440 3.137 -10.339 1.00 5.20 N ATOM 412 CZ ARG A 29 7.683 3.150 -9.858 1.00 1.22 C ATOM 413 NH1 ARG A 29 7.992 2.403 -8.803 1.00 0.33 N ATOM 414 NH2 ARG A 29 8.612 3.907 -10.429 1.00 1.53 N ATOM 0 H ARG A 29 1.831 2.291 -9.883 1.00 2.43 H new ATOM 0 HA ARG A 29 3.706 4.365 -9.580 1.00 32.12 H new ATOM 0 HB2 ARG A 29 2.843 2.868 -12.084 1.00 61.24 H new ATOM 0 HB3 ARG A 29 4.318 3.798 -11.909 1.00 61.24 H new ATOM 0 HG2 ARG A 29 3.586 1.267 -10.394 1.00 12.52 H new ATOM 0 HG3 ARG A 29 4.791 1.417 -11.657 1.00 12.52 H new ATOM 0 HD2 ARG A 29 4.884 2.844 -8.969 1.00 54.44 H new ATOM 0 HD3 ARG A 29 5.787 1.398 -9.373 1.00 54.44 H new ATOM 0 HE ARG A 29 6.227 3.737 -11.136 1.00 5.20 H new ATOM 0 HH11 ARG A 29 7.279 1.821 -8.363 1.00 0.33 H new ATOM 0 HH12 ARG A 29 8.943 2.411 -8.433 1.00 0.33 H new ATOM 0 HH21 ARG A 29 8.376 4.481 -11.238 1.00 1.53 H new ATOM 0 HH22 ARG A 29 9.562 3.915 -10.058 1.00 1.53 H new ATOM 425 N VAL A 30 1.086 5.049 -11.456 1.00 3.55 N ATOM 426 CA VAL A 30 0.357 6.138 -12.092 1.00 13.01 C ATOM 427 C VAL A 30 -0.175 7.119 -11.053 1.00 22.12 C ATOM 428 O VAL A 30 -0.084 8.334 -11.233 1.00 11.25 O ATOM 429 CB VAL A 30 -0.808 5.624 -12.965 1.00 65.32 C ATOM 430 CG1 VAL A 30 -1.559 6.787 -13.607 1.00 74.45 C ATOM 431 CG2 VAL A 30 -0.289 4.667 -14.026 1.00 53.34 C ATOM 0 H VAL A 30 0.608 4.148 -11.481 1.00 3.55 H new ATOM 0 HA VAL A 30 1.066 6.652 -12.741 1.00 13.01 H new ATOM 0 HB VAL A 30 -1.507 5.085 -12.325 1.00 65.32 H new ATOM 0 HG11 VAL A 30 -2.375 6.400 -14.217 1.00 74.45 H new ATOM 0 HG12 VAL A 30 -1.963 7.434 -12.828 1.00 74.45 H new ATOM 0 HG13 VAL A 30 -0.876 7.359 -14.235 1.00 74.45 H new ATOM 0 HG21 VAL A 30 -1.121 4.312 -14.634 1.00 53.34 H new ATOM 0 HG22 VAL A 30 0.431 5.184 -14.661 1.00 53.34 H new ATOM 0 HG23 VAL A 30 0.196 3.818 -13.544 1.00 53.34 H new ATOM 441 N LEU A 31 -0.709 6.594 -9.957 1.00 2.13 N ATOM 442 CA LEU A 31 -1.254 7.444 -8.904 1.00 71.31 C ATOM 443 C LEU A 31 -0.129 8.254 -8.247 1.00 3.43 C ATOM 444 O LEU A 31 -0.337 9.392 -7.833 1.00 33.54 O ATOM 445 CB LEU A 31 -2.005 6.601 -7.862 1.00 44.21 C ATOM 446 CG LEU A 31 -3.311 7.214 -7.329 1.00 42.54 C ATOM 447 CD1 LEU A 31 -3.947 6.299 -6.300 1.00 51.33 C ATOM 448 CD2 LEU A 31 -3.077 8.592 -6.730 1.00 11.44 C ATOM 0 H LEU A 31 -0.777 5.593 -9.774 1.00 2.13 H new ATOM 0 HA LEU A 31 -1.967 8.140 -9.347 1.00 71.31 H new ATOM 0 HB2 LEU A 31 -2.233 5.630 -8.302 1.00 44.21 H new ATOM 0 HB3 LEU A 31 -1.339 6.420 -7.019 1.00 44.21 H new ATOM 0 HG LEU A 31 -3.991 7.325 -8.174 1.00 42.54 H new ATOM 0 HD11 LEU A 31 -4.870 6.749 -5.934 1.00 51.33 H new ATOM 0 HD12 LEU A 31 -4.170 5.335 -6.758 1.00 51.33 H new ATOM 0 HD13 LEU A 31 -3.259 6.154 -5.467 1.00 51.33 H new ATOM 0 HD21 LEU A 31 -4.021 8.995 -6.364 1.00 11.44 H new ATOM 0 HD22 LEU A 31 -2.371 8.514 -5.904 1.00 11.44 H new ATOM 0 HD23 LEU A 31 -2.671 9.256 -7.493 1.00 11.44 H new ATOM 459 N GLN A 32 1.069 7.672 -8.194 1.00 22.03 N ATOM 460 CA GLN A 32 2.250 8.362 -7.668 1.00 55.43 C ATOM 461 C GLN A 32 2.521 9.650 -8.446 1.00 75.40 C ATOM 462 O GLN A 32 3.069 10.611 -7.908 1.00 31.00 O ATOM 463 CB GLN A 32 3.483 7.460 -7.753 1.00 72.43 C ATOM 464 CG GLN A 32 4.077 7.089 -6.403 1.00 54.33 C ATOM 465 CD GLN A 32 5.418 6.387 -6.540 1.00 34.32 C ATOM 466 OE1 GLN A 32 6.163 6.632 -7.489 1.00 12.11 O ATOM 467 NE2 GLN A 32 5.739 5.516 -5.598 1.00 22.45 N ATOM 0 H GLN A 32 1.249 6.719 -8.510 1.00 22.03 H new ATOM 0 HA GLN A 32 2.050 8.608 -6.625 1.00 55.43 H new ATOM 0 HB2 GLN A 32 3.215 6.546 -8.283 1.00 72.43 H new ATOM 0 HB3 GLN A 32 4.246 7.962 -8.348 1.00 72.43 H new ATOM 0 HG2 GLN A 32 4.200 7.990 -5.802 1.00 54.33 H new ATOM 0 HG3 GLN A 32 3.383 6.441 -5.868 1.00 54.33 H new ATOM 0 HE21 GLN A 32 5.096 5.339 -4.826 1.00 22.45 H new ATOM 0 HE22 GLN A 32 6.630 5.021 -5.643 1.00 22.45 H new ATOM 474 N LYS A 33 2.129 9.657 -9.714 1.00 64.13 N ATOM 475 CA LYS A 33 2.342 10.806 -10.585 1.00 12.34 C ATOM 476 C LYS A 33 1.290 11.880 -10.334 1.00 62.31 C ATOM 477 O LYS A 33 1.415 13.014 -10.798 1.00 23.31 O ATOM 478 CB LYS A 33 2.302 10.373 -12.047 1.00 35.44 C ATOM 479 CG LYS A 33 3.305 9.278 -12.372 1.00 62.23 C ATOM 480 CD LYS A 33 3.458 9.093 -13.866 1.00 72.23 C ATOM 481 CE LYS A 33 2.152 8.664 -14.520 1.00 63.14 C ATOM 482 NZ LYS A 33 2.291 8.512 -15.991 1.00 2.21 N ATOM 0 H LYS A 33 1.658 8.873 -10.165 1.00 64.13 H new ATOM 0 HA LYS A 33 3.323 11.224 -10.362 1.00 12.34 H new ATOM 0 HB2 LYS A 33 1.299 10.022 -12.288 1.00 35.44 H new ATOM 0 HB3 LYS A 33 2.498 11.237 -12.681 1.00 35.44 H new ATOM 0 HG2 LYS A 33 4.272 9.527 -11.934 1.00 62.23 H new ATOM 0 HG3 LYS A 33 2.982 8.341 -11.919 1.00 62.23 H new ATOM 0 HD2 LYS A 33 3.800 10.026 -14.315 1.00 72.23 H new ATOM 0 HD3 LYS A 33 4.226 8.345 -14.063 1.00 72.23 H new ATOM 0 HE2 LYS A 33 1.823 7.719 -14.087 1.00 63.14 H new ATOM 0 HE3 LYS A 33 1.379 9.401 -14.303 1.00 63.14 H new ATOM 0 HZ1 LYS A 33 1.380 8.219 -16.397 1.00 2.21 H new ATOM 0 HZ2 LYS A 33 2.580 9.420 -16.408 1.00 2.21 H new ATOM 0 HZ3 LYS A 33 3.011 7.791 -16.199 1.00 2.21 H new ATOM 492 N LYS A 34 0.249 11.514 -9.600 1.00 73.43 N ATOM 493 CA LYS A 34 -0.849 12.424 -9.305 1.00 73.33 C ATOM 494 C LYS A 34 -0.729 12.928 -7.873 1.00 41.02 C ATOM 495 O LYS A 34 -0.951 14.107 -7.582 1.00 23.41 O ATOM 496 CB LYS A 34 -2.184 11.700 -9.486 1.00 55.24 C ATOM 497 CG LYS A 34 -2.260 10.877 -10.764 1.00 63.33 C ATOM 498 CD LYS A 34 -3.583 10.136 -10.881 1.00 73.33 C ATOM 499 CE LYS A 34 -4.580 10.889 -11.746 1.00 44.41 C ATOM 500 NZ LYS A 34 -4.886 12.246 -11.221 1.00 63.13 N ATOM 0 H LYS A 34 0.141 10.584 -9.194 1.00 73.43 H new ATOM 0 HA LYS A 34 -0.805 13.271 -9.989 1.00 73.33 H new ATOM 0 HB2 LYS A 34 -2.352 11.045 -8.631 1.00 55.24 H new ATOM 0 HB3 LYS A 34 -2.989 12.435 -9.488 1.00 55.24 H new ATOM 0 HG2 LYS A 34 -2.133 11.532 -11.626 1.00 63.33 H new ATOM 0 HG3 LYS A 34 -1.439 10.160 -10.784 1.00 63.33 H new ATOM 0 HD2 LYS A 34 -3.409 9.147 -11.305 1.00 73.33 H new ATOM 0 HD3 LYS A 34 -4.005 9.987 -9.887 1.00 73.33 H new ATOM 0 HE2 LYS A 34 -4.184 10.976 -12.758 1.00 44.41 H new ATOM 0 HE3 LYS A 34 -5.503 10.314 -11.814 1.00 44.41 H new ATOM 0 HZ1 LYS A 34 -5.678 12.655 -11.756 1.00 63.13 H new ATOM 0 HZ2 LYS A 34 -5.145 12.179 -10.216 1.00 63.13 H new ATOM 0 HZ3 LYS A 34 -4.049 12.855 -11.323 1.00 63.13 H new ATOM 510 N SER A 35 -0.384 12.011 -6.982 1.00 42.31 N ATOM 511 CA SER A 35 -0.202 12.305 -5.573 1.00 65.24 C ATOM 512 C SER A 35 0.870 11.379 -5.003 1.00 64.31 C ATOM 513 O SER A 35 0.726 10.161 -5.041 1.00 45.23 O ATOM 514 CB SER A 35 -1.528 12.115 -4.822 1.00 52.32 C ATOM 515 OG SER A 35 -2.547 12.935 -5.375 1.00 71.13 O ATOM 0 H SER A 35 -0.221 11.033 -7.221 1.00 42.31 H new ATOM 0 HA SER A 35 0.116 13.340 -5.452 1.00 65.24 H new ATOM 0 HB2 SER A 35 -1.831 11.069 -4.871 1.00 52.32 H new ATOM 0 HB3 SER A 35 -1.392 12.359 -3.768 1.00 52.32 H new ATOM 0 HG SER A 35 -3.382 12.796 -4.882 1.00 71.13 H new ATOM 520 N TRP A 36 1.955 11.950 -4.500 1.00 33.24 N ATOM 521 CA TRP A 36 3.059 11.145 -4.005 1.00 2.25 C ATOM 522 C TRP A 36 2.700 10.465 -2.691 1.00 14.41 C ATOM 523 O TRP A 36 2.224 11.106 -1.747 1.00 44.00 O ATOM 524 CB TRP A 36 4.325 11.983 -3.827 1.00 20.21 C ATOM 525 CG TRP A 36 5.516 11.143 -3.484 1.00 64.24 C ATOM 526 CD1 TRP A 36 5.996 10.862 -2.236 1.00 3.12 C ATOM 527 CD2 TRP A 36 6.365 10.456 -4.404 1.00 11.15 C ATOM 528 NE1 TRP A 36 7.086 10.036 -2.328 1.00 4.30 N ATOM 529 CE2 TRP A 36 7.333 9.775 -3.646 1.00 11.34 C ATOM 530 CE3 TRP A 36 6.398 10.345 -5.795 1.00 23.14 C ATOM 531 CZ2 TRP A 36 8.329 9.001 -4.229 1.00 45.23 C ATOM 532 CZ3 TRP A 36 7.388 9.575 -6.377 1.00 61.03 C ATOM 533 CH2 TRP A 36 8.339 8.907 -5.595 1.00 64.22 C ATOM 0 H TRP A 36 2.093 12.958 -4.425 1.00 33.24 H new ATOM 0 HA TRP A 36 3.255 10.377 -4.753 1.00 2.25 H new ATOM 0 HB2 TRP A 36 4.525 12.536 -4.745 1.00 20.21 H new ATOM 0 HB3 TRP A 36 4.163 12.720 -3.040 1.00 20.21 H new ATOM 0 HD1 TRP A 36 5.578 11.236 -1.313 1.00 3.12 H new ATOM 0 HE1 TRP A 36 7.625 9.675 -1.541 1.00 4.30 H new ATOM 0 HE3 TRP A 36 5.664 10.851 -6.405 1.00 23.14 H new ATOM 0 HZ2 TRP A 36 9.068 8.493 -3.627 1.00 45.23 H new ATOM 0 HZ3 TRP A 36 7.429 9.487 -7.453 1.00 61.03 H new ATOM 0 HH2 TRP A 36 9.095 8.306 -6.079 1.00 64.22 H new ATOM 543 N PHE A 37 2.932 9.166 -2.637 1.00 30.03 N ATOM 544 CA PHE A 37 2.690 8.397 -1.429 1.00 63.23 C ATOM 545 C PHE A 37 3.797 7.379 -1.202 1.00 65.53 C ATOM 546 O PHE A 37 3.597 6.398 -0.491 1.00 12.10 O ATOM 547 CB PHE A 37 1.331 7.690 -1.501 1.00 1.11 C ATOM 548 CG PHE A 37 1.066 6.974 -2.800 1.00 54.34 C ATOM 549 CD1 PHE A 37 1.724 5.796 -3.122 1.00 50.44 C ATOM 550 CD2 PHE A 37 0.144 7.481 -3.695 1.00 72.11 C ATOM 551 CE1 PHE A 37 1.466 5.143 -4.311 1.00 31.40 C ATOM 552 CE2 PHE A 37 -0.118 6.837 -4.883 1.00 10.23 C ATOM 553 CZ PHE A 37 0.543 5.665 -5.194 1.00 51.15 C ATOM 0 H PHE A 37 3.290 8.619 -3.420 1.00 30.03 H new ATOM 0 HA PHE A 37 2.680 9.090 -0.588 1.00 63.23 H new ATOM 0 HB2 PHE A 37 1.267 6.971 -0.685 1.00 1.11 H new ATOM 0 HB3 PHE A 37 0.544 8.426 -1.340 1.00 1.11 H new ATOM 0 HD1 PHE A 37 2.447 5.384 -2.434 1.00 50.44 H new ATOM 0 HD2 PHE A 37 -0.379 8.396 -3.459 1.00 72.11 H new ATOM 0 HE1 PHE A 37 1.985 4.226 -4.549 1.00 31.40 H new ATOM 0 HE2 PHE A 37 -0.841 7.248 -5.572 1.00 10.23 H new ATOM 0 HZ PHE A 37 0.338 5.158 -6.126 1.00 51.15 H new ATOM 562 N GLU A 38 4.965 7.619 -1.801 1.00 34.43 N ATOM 563 CA GLU A 38 6.089 6.683 -1.705 1.00 23.04 C ATOM 564 C GLU A 38 5.691 5.319 -2.260 1.00 62.54 C ATOM 565 O GLU A 38 4.601 5.151 -2.802 1.00 64.24 O ATOM 566 CB GLU A 38 6.539 6.530 -0.248 1.00 5.21 C ATOM 567 CG GLU A 38 7.170 7.775 0.333 1.00 61.22 C ATOM 568 CD GLU A 38 8.629 7.932 -0.033 1.00 65.11 C ATOM 569 OE1 GLU A 38 9.451 7.116 0.429 1.00 63.43 O ATOM 570 OE2 GLU A 38 8.960 8.884 -0.766 1.00 11.43 O ATOM 0 H GLU A 38 5.158 8.452 -2.357 1.00 34.43 H new ATOM 0 HA GLU A 38 6.916 7.083 -2.292 1.00 23.04 H new ATOM 0 HB2 GLU A 38 5.678 6.253 0.361 1.00 5.21 H new ATOM 0 HB3 GLU A 38 7.253 5.709 -0.183 1.00 5.21 H new ATOM 0 HG2 GLU A 38 6.619 8.649 -0.014 1.00 61.22 H new ATOM 0 HG3 GLU A 38 7.075 7.749 1.419 1.00 61.22 H new ATOM 575 N LEU A 39 6.595 4.361 -2.192 1.00 13.42 N ATOM 576 CA LEU A 39 6.231 2.984 -2.471 1.00 62.01 C ATOM 577 C LEU A 39 7.172 2.030 -1.755 1.00 40.15 C ATOM 578 O LEU A 39 8.347 1.922 -2.107 1.00 22.15 O ATOM 579 CB LEU A 39 6.194 2.695 -3.974 1.00 60.14 C ATOM 580 CG LEU A 39 5.462 1.402 -4.356 1.00 3.01 C ATOM 581 CD1 LEU A 39 4.194 1.243 -3.528 1.00 52.43 C ATOM 582 CD2 LEU A 39 5.111 1.407 -5.837 1.00 64.32 C ATOM 0 H LEU A 39 7.575 4.507 -1.949 1.00 13.42 H new ATOM 0 HA LEU A 39 5.222 2.826 -2.091 1.00 62.01 H new ATOM 0 HB2 LEU A 39 5.714 3.532 -4.480 1.00 60.14 H new ATOM 0 HB3 LEU A 39 7.217 2.642 -4.346 1.00 60.14 H new ATOM 0 HG LEU A 39 6.126 0.562 -4.152 1.00 3.01 H new ATOM 0 HD11 LEU A 39 3.687 0.321 -3.812 1.00 52.43 H new ATOM 0 HD12 LEU A 39 4.453 1.204 -2.470 1.00 52.43 H new ATOM 0 HD13 LEU A 39 3.533 2.091 -3.709 1.00 52.43 H new ATOM 0 HD21 LEU A 39 4.592 0.483 -6.091 1.00 64.32 H new ATOM 0 HD22 LEU A 39 4.465 2.257 -6.055 1.00 64.32 H new ATOM 0 HD23 LEU A 39 6.024 1.485 -6.427 1.00 64.32 H new ATOM 593 N GLU A 40 6.657 1.349 -0.750 1.00 11.13 N ATOM 594 CA GLU A 40 7.442 0.372 -0.022 1.00 33.41 C ATOM 595 C GLU A 40 6.857 -1.012 -0.243 1.00 33.41 C ATOM 596 O GLU A 40 5.705 -1.272 0.105 1.00 55.32 O ATOM 597 CB GLU A 40 7.469 0.727 1.466 1.00 73.34 C ATOM 598 CG GLU A 40 8.479 -0.064 2.283 1.00 23.14 C ATOM 599 CD GLU A 40 8.808 0.616 3.596 1.00 62.12 C ATOM 600 OE1 GLU A 40 9.570 1.602 3.575 1.00 34.10 O ATOM 601 OE2 GLU A 40 8.303 0.180 4.650 1.00 21.01 O ATOM 0 H GLU A 40 5.698 1.454 -0.419 1.00 11.13 H new ATOM 0 HA GLU A 40 8.468 0.378 -0.389 1.00 33.41 H new ATOM 0 HB2 GLU A 40 7.689 1.790 1.569 1.00 73.34 H new ATOM 0 HB3 GLU A 40 6.475 0.565 1.884 1.00 73.34 H new ATOM 0 HG2 GLU A 40 8.084 -1.061 2.480 1.00 23.14 H new ATOM 0 HG3 GLU A 40 9.393 -0.192 1.703 1.00 23.14 H new ATOM 606 N VAL A 41 7.650 -1.886 -0.843 1.00 75.12 N ATOM 607 CA VAL A 41 7.205 -3.235 -1.157 1.00 42.14 C ATOM 608 C VAL A 41 7.933 -4.245 -0.286 1.00 3.41 C ATOM 609 O VAL A 41 9.133 -4.465 -0.446 1.00 73.25 O ATOM 610 CB VAL A 41 7.436 -3.584 -2.645 1.00 61.01 C ATOM 611 CG1 VAL A 41 6.906 -4.971 -2.967 1.00 24.54 C ATOM 612 CG2 VAL A 41 6.786 -2.550 -3.548 1.00 23.21 C ATOM 0 H VAL A 41 8.610 -1.684 -1.123 1.00 75.12 H new ATOM 0 HA VAL A 41 6.134 -3.277 -0.958 1.00 42.14 H new ATOM 0 HB VAL A 41 8.511 -3.577 -2.826 1.00 61.01 H new ATOM 0 HG11 VAL A 41 7.081 -5.192 -4.020 1.00 24.54 H new ATOM 0 HG12 VAL A 41 7.420 -5.709 -2.351 1.00 24.54 H new ATOM 0 HG13 VAL A 41 5.836 -5.009 -2.761 1.00 24.54 H new ATOM 0 HG21 VAL A 41 6.961 -2.816 -4.590 1.00 23.21 H new ATOM 0 HG22 VAL A 41 5.713 -2.522 -3.356 1.00 23.21 H new ATOM 0 HG23 VAL A 41 7.216 -1.569 -3.346 1.00 23.21 H new ATOM 622 N ILE A 42 7.206 -4.852 0.633 1.00 21.30 N ATOM 623 CA ILE A 42 7.798 -5.780 1.576 1.00 21.53 C ATOM 624 C ILE A 42 7.172 -7.160 1.432 1.00 10.23 C ATOM 625 O ILE A 42 5.990 -7.350 1.732 1.00 34.33 O ATOM 626 CB ILE A 42 7.636 -5.281 3.025 1.00 45.01 C ATOM 627 CG1 ILE A 42 8.252 -3.885 3.160 1.00 32.32 C ATOM 628 CG2 ILE A 42 8.281 -6.256 4.004 1.00 64.33 C ATOM 629 CD1 ILE A 42 8.088 -3.271 4.531 1.00 0.32 C ATOM 0 H ILE A 42 6.201 -4.718 0.746 1.00 21.30 H new ATOM 0 HA ILE A 42 8.863 -5.846 1.351 1.00 21.53 H new ATOM 0 HB ILE A 42 6.574 -5.222 3.265 1.00 45.01 H new ATOM 0 HG12 ILE A 42 9.315 -3.944 2.924 1.00 32.32 H new ATOM 0 HG13 ILE A 42 7.797 -3.225 2.421 1.00 32.32 H new ATOM 0 HG21 ILE A 42 8.156 -5.886 5.022 1.00 64.33 H new ATOM 0 HG22 ILE A 42 7.805 -7.232 3.912 1.00 64.33 H new ATOM 0 HG23 ILE A 42 9.344 -6.348 3.779 1.00 64.33 H new ATOM 0 HD11 ILE A 42 8.550 -2.284 4.545 1.00 0.32 H new ATOM 0 HD12 ILE A 42 7.027 -3.178 4.764 1.00 0.32 H new ATOM 0 HD13 ILE A 42 8.568 -3.907 5.274 1.00 0.32 H new ATOM 640 N ASN A 43 7.956 -8.112 0.941 1.00 54.53 N ATOM 641 CA ASN A 43 7.488 -9.481 0.784 1.00 61.33 C ATOM 642 C ASN A 43 7.572 -10.219 2.110 1.00 20.31 C ATOM 643 O ASN A 43 8.660 -10.470 2.628 1.00 22.41 O ATOM 644 CB ASN A 43 8.282 -10.220 -0.297 1.00 11.45 C ATOM 645 CG ASN A 43 7.972 -9.703 -1.690 1.00 12.11 C ATOM 646 OD1 ASN A 43 8.614 -8.777 -2.182 1.00 11.02 O ATOM 647 ND2 ASN A 43 6.978 -10.299 -2.329 1.00 50.21 N ATOM 0 H ASN A 43 8.920 -7.959 0.645 1.00 54.53 H new ATOM 0 HA ASN A 43 6.446 -9.449 0.465 1.00 61.33 H new ATOM 0 HB2 ASN A 43 9.349 -10.112 -0.100 1.00 11.45 H new ATOM 0 HB3 ASN A 43 8.055 -11.285 -0.248 1.00 11.45 H new ATOM 0 HD21 ASN A 43 6.719 -9.993 -3.267 1.00 50.21 H new ATOM 0 HD22 ASN A 43 6.471 -11.064 -1.884 1.00 50.21 H new ATOM 653 N ILE A 44 6.416 -10.580 2.646 1.00 2.33 N ATOM 654 CA ILE A 44 6.345 -11.166 3.978 1.00 14.22 C ATOM 655 C ILE A 44 6.717 -12.647 3.971 1.00 51.02 C ATOM 656 O ILE A 44 6.720 -13.292 5.015 1.00 41.45 O ATOM 657 CB ILE A 44 4.941 -11.008 4.598 1.00 51.22 C ATOM 658 CG1 ILE A 44 3.915 -11.850 3.838 1.00 4.41 C ATOM 659 CG2 ILE A 44 4.527 -9.544 4.596 1.00 73.53 C ATOM 660 CD1 ILE A 44 2.544 -11.862 4.479 1.00 12.41 C ATOM 0 H ILE A 44 5.514 -10.478 2.180 1.00 2.33 H new ATOM 0 HA ILE A 44 7.069 -10.621 4.584 1.00 14.22 H new ATOM 0 HB ILE A 44 4.979 -11.362 5.628 1.00 51.22 H new ATOM 0 HG12 ILE A 44 3.827 -11.469 2.821 1.00 4.41 H new ATOM 0 HG13 ILE A 44 4.281 -12.874 3.765 1.00 4.41 H new ATOM 0 HG21 ILE A 44 3.535 -9.446 5.036 1.00 73.53 H new ATOM 0 HG22 ILE A 44 5.242 -8.963 5.179 1.00 73.53 H new ATOM 0 HG23 ILE A 44 4.508 -9.173 3.571 1.00 73.53 H new ATOM 0 HD11 ILE A 44 1.870 -12.479 3.885 1.00 12.41 H new ATOM 0 HD12 ILE A 44 2.617 -12.271 5.487 1.00 12.41 H new ATOM 0 HD13 ILE A 44 2.156 -10.844 4.528 1.00 12.41 H new ATOM 671 N ASP A 45 7.042 -13.176 2.794 1.00 22.23 N ATOM 672 CA ASP A 45 7.397 -14.589 2.654 1.00 64.04 C ATOM 673 C ASP A 45 8.635 -14.928 3.480 1.00 13.12 C ATOM 674 O ASP A 45 8.710 -15.981 4.107 1.00 73.34 O ATOM 675 CB ASP A 45 7.646 -14.936 1.185 1.00 34.12 C ATOM 676 CG ASP A 45 7.986 -16.402 0.982 1.00 64.55 C ATOM 677 OD1 ASP A 45 9.175 -16.757 1.057 1.00 45.35 O ATOM 678 OD2 ASP A 45 7.055 -17.202 0.741 1.00 24.05 O ATOM 0 H ASP A 45 7.067 -12.648 1.922 1.00 22.23 H new ATOM 0 HA ASP A 45 6.560 -15.180 3.024 1.00 64.04 H new ATOM 0 HB2 ASP A 45 6.759 -14.688 0.601 1.00 34.12 H new ATOM 0 HB3 ASP A 45 8.461 -14.321 0.803 1.00 34.12 H new ATOM 682 N GLY A 46 9.595 -14.013 3.486 1.00 60.55 N ATOM 683 CA GLY A 46 10.832 -14.241 4.205 1.00 65.10 C ATOM 684 C GLY A 46 10.736 -13.866 5.670 1.00 51.53 C ATOM 685 O GLY A 46 11.746 -13.846 6.374 1.00 43.03 O ATOM 0 H GLY A 46 9.539 -13.115 3.005 1.00 60.55 H new ATOM 0 HA2 GLY A 46 11.108 -15.292 4.121 1.00 65.10 H new ATOM 0 HA3 GLY A 46 11.630 -13.664 3.738 1.00 65.10 H new ATOM 689 N ASN A 47 9.529 -13.564 6.131 1.00 52.24 N ATOM 690 CA ASN A 47 9.315 -13.201 7.527 1.00 4.55 C ATOM 691 C ASN A 47 8.060 -13.869 8.066 1.00 22.40 C ATOM 692 O ASN A 47 6.953 -13.373 7.862 1.00 62.13 O ATOM 693 CB ASN A 47 9.189 -11.681 7.696 1.00 74.52 C ATOM 694 CG ASN A 47 10.493 -10.939 7.469 1.00 21.12 C ATOM 695 OD1 ASN A 47 11.299 -10.782 8.387 1.00 53.45 O ATOM 696 ND2 ASN A 47 10.700 -10.462 6.250 1.00 61.42 N ATOM 0 H ASN A 47 8.684 -13.563 5.560 1.00 52.24 H new ATOM 0 HA ASN A 47 10.183 -13.546 8.089 1.00 4.55 H new ATOM 0 HB2 ASN A 47 8.440 -11.306 6.998 1.00 74.52 H new ATOM 0 HB3 ASN A 47 8.826 -11.463 8.700 1.00 74.52 H new ATOM 0 HD21 ASN A 47 11.553 -9.942 6.044 1.00 61.42 H new ATOM 0 HD22 ASN A 47 10.006 -10.615 5.518 1.00 61.42 H new ATOM 702 N GLU A 48 8.240 -14.992 8.753 1.00 34.15 N ATOM 703 CA GLU A 48 7.130 -15.731 9.354 1.00 63.14 C ATOM 704 C GLU A 48 6.306 -14.816 10.255 1.00 2.13 C ATOM 705 O GLU A 48 5.086 -14.957 10.355 1.00 12.35 O ATOM 706 CB GLU A 48 7.637 -16.919 10.186 1.00 42.34 C ATOM 707 CG GLU A 48 8.503 -17.910 9.425 1.00 34.50 C ATOM 708 CD GLU A 48 9.907 -17.399 9.190 1.00 13.53 C ATOM 709 OE1 GLU A 48 10.696 -17.347 10.157 1.00 31.41 O ATOM 710 OE2 GLU A 48 10.222 -17.020 8.045 1.00 24.12 O ATOM 0 H GLU A 48 9.154 -15.416 8.910 1.00 34.15 H new ATOM 0 HA GLU A 48 6.510 -16.106 8.539 1.00 63.14 H new ATOM 0 HB2 GLU A 48 8.208 -16.535 11.031 1.00 42.34 H new ATOM 0 HB3 GLU A 48 6.778 -17.450 10.596 1.00 42.34 H new ATOM 0 HG2 GLU A 48 8.550 -18.847 9.981 1.00 34.50 H new ATOM 0 HG3 GLU A 48 8.036 -18.132 8.465 1.00 34.50 H new ATOM 715 N HIS A 49 6.993 -13.874 10.897 1.00 52.03 N ATOM 716 CA HIS A 49 6.349 -12.909 11.785 1.00 10.44 C ATOM 717 C HIS A 49 5.271 -12.141 11.029 1.00 22.42 C ATOM 718 O HIS A 49 4.136 -12.025 11.487 1.00 71.23 O ATOM 719 CB HIS A 49 7.376 -11.918 12.348 1.00 54.13 C ATOM 720 CG HIS A 49 8.576 -12.564 12.975 1.00 44.35 C ATOM 721 ND1 HIS A 49 9.863 -12.126 12.749 1.00 51.40 N ATOM 722 CD2 HIS A 49 8.682 -13.610 13.829 1.00 11.12 C ATOM 723 CE1 HIS A 49 10.708 -12.880 13.429 1.00 1.13 C ATOM 724 NE2 HIS A 49 10.017 -13.784 14.094 1.00 44.02 N ATOM 0 H HIS A 49 8.003 -13.758 10.818 1.00 52.03 H new ATOM 0 HA HIS A 49 5.897 -13.458 12.611 1.00 10.44 H new ATOM 0 HB2 HIS A 49 7.709 -11.262 11.544 1.00 54.13 H new ATOM 0 HB3 HIS A 49 6.887 -11.288 13.091 1.00 54.13 H new ATOM 0 HD2 HIS A 49 7.868 -14.197 14.227 1.00 11.12 H new ATOM 0 HE1 HIS A 49 11.783 -12.774 13.438 1.00 1.13 H new ATOM 0 HE2 HIS A 49 10.411 -14.498 14.707 1.00 44.02 H new ATOM 731 N LEU A 50 5.636 -11.635 9.857 1.00 63.42 N ATOM 732 CA LEU A 50 4.706 -10.885 9.025 1.00 52.12 C ATOM 733 C LEU A 50 3.753 -11.820 8.287 1.00 72.41 C ATOM 734 O LEU A 50 2.635 -11.434 7.949 1.00 25.32 O ATOM 735 CB LEU A 50 5.470 -10.020 8.021 1.00 61.30 C ATOM 736 CG LEU A 50 6.380 -8.955 8.633 1.00 45.14 C ATOM 737 CD1 LEU A 50 7.086 -8.171 7.538 1.00 1.34 C ATOM 738 CD2 LEU A 50 5.583 -8.016 9.529 1.00 63.13 C ATOM 0 H LEU A 50 6.571 -11.731 9.462 1.00 63.42 H new ATOM 0 HA LEU A 50 4.117 -10.240 9.677 1.00 52.12 H new ATOM 0 HB2 LEU A 50 6.075 -10.672 7.391 1.00 61.30 H new ATOM 0 HB3 LEU A 50 4.749 -9.527 7.369 1.00 61.30 H new ATOM 0 HG LEU A 50 7.131 -9.455 9.244 1.00 45.14 H new ATOM 0 HD11 LEU A 50 7.730 -7.416 7.989 1.00 1.34 H new ATOM 0 HD12 LEU A 50 7.689 -8.850 6.935 1.00 1.34 H new ATOM 0 HD13 LEU A 50 6.345 -7.684 6.904 1.00 1.34 H new ATOM 0 HD21 LEU A 50 6.250 -7.266 9.954 1.00 63.13 H new ATOM 0 HD22 LEU A 50 4.809 -7.522 8.942 1.00 63.13 H new ATOM 0 HD23 LEU A 50 5.119 -8.587 10.333 1.00 63.13 H new ATOM 749 N THR A 51 4.203 -13.049 8.044 1.00 24.20 N ATOM 750 CA THR A 51 3.390 -14.038 7.355 1.00 1.30 C ATOM 751 C THR A 51 2.062 -14.255 8.069 1.00 42.32 C ATOM 752 O THR A 51 1.012 -14.219 7.447 1.00 33.11 O ATOM 753 CB THR A 51 4.109 -15.397 7.238 1.00 34.15 C ATOM 754 OG1 THR A 51 5.351 -15.248 6.539 1.00 31.33 O ATOM 755 CG2 THR A 51 3.235 -16.408 6.508 1.00 24.43 C ATOM 0 H THR A 51 5.128 -13.380 8.316 1.00 24.20 H new ATOM 0 HA THR A 51 3.213 -13.642 6.355 1.00 1.30 H new ATOM 0 HB THR A 51 4.305 -15.761 8.247 1.00 34.15 H new ATOM 0 HG1 THR A 51 5.897 -14.567 6.984 1.00 31.33 H new ATOM 0 HG21 THR A 51 3.762 -17.360 6.437 1.00 24.43 H new ATOM 0 HG22 THR A 51 2.304 -16.549 7.058 1.00 24.43 H new ATOM 0 HG23 THR A 51 3.013 -16.040 5.506 1.00 24.43 H new ATOM 763 N ARG A 52 2.113 -14.463 9.377 1.00 31.24 N ATOM 764 CA ARG A 52 0.910 -14.753 10.148 1.00 75.53 C ATOM 765 C ARG A 52 -0.026 -13.546 10.169 1.00 30.44 C ATOM 766 O ARG A 52 -1.246 -13.695 10.210 1.00 64.04 O ATOM 767 CB ARG A 52 1.270 -15.178 11.573 1.00 74.50 C ATOM 768 CG ARG A 52 2.263 -16.329 11.627 1.00 15.21 C ATOM 769 CD ARG A 52 2.327 -16.941 13.013 1.00 24.11 C ATOM 770 NE ARG A 52 1.103 -17.676 13.341 1.00 72.51 N ATOM 771 CZ ARG A 52 0.679 -17.909 14.585 1.00 63.43 C ATOM 772 NH1 ARG A 52 1.319 -17.372 15.619 1.00 60.04 N ATOM 773 NH2 ARG A 52 -0.402 -18.652 14.792 1.00 61.24 N ATOM 0 H ARG A 52 2.972 -14.437 9.927 1.00 31.24 H new ATOM 0 HA ARG A 52 0.390 -15.580 9.664 1.00 75.53 H new ATOM 0 HB2 ARG A 52 1.687 -14.323 12.105 1.00 74.50 H new ATOM 0 HB3 ARG A 52 0.360 -15.468 12.099 1.00 74.50 H new ATOM 0 HG2 ARG A 52 1.977 -17.092 10.904 1.00 15.21 H new ATOM 0 HG3 ARG A 52 3.252 -15.972 11.339 1.00 15.21 H new ATOM 0 HD2 ARG A 52 3.182 -17.614 13.074 1.00 24.11 H new ATOM 0 HD3 ARG A 52 2.487 -16.154 13.750 1.00 24.11 H new ATOM 0 HE ARG A 52 0.539 -18.032 12.570 1.00 72.51 H new ATOM 0 HH11 ARG A 52 2.135 -16.781 15.462 1.00 60.04 H new ATOM 0 HH12 ARG A 52 0.994 -17.551 16.569 1.00 60.04 H new ATOM 0 HH21 ARG A 52 -0.910 -19.046 14.000 1.00 61.24 H new ATOM 0 HH22 ARG A 52 -0.725 -18.829 15.743 1.00 61.24 H new ATOM 784 N LEU A 53 0.561 -12.357 10.127 1.00 61.12 N ATOM 785 CA LEU A 53 -0.204 -11.117 10.121 1.00 22.30 C ATOM 786 C LEU A 53 -1.055 -10.996 8.859 1.00 0.21 C ATOM 787 O LEU A 53 -2.251 -10.715 8.929 1.00 52.31 O ATOM 788 CB LEU A 53 0.740 -9.917 10.220 1.00 55.03 C ATOM 789 CG LEU A 53 1.378 -9.691 11.590 1.00 31.12 C ATOM 790 CD1 LEU A 53 2.481 -8.650 11.492 1.00 35.41 C ATOM 791 CD2 LEU A 53 0.324 -9.241 12.584 1.00 43.32 C ATOM 0 H LEU A 53 1.572 -12.225 10.096 1.00 61.12 H new ATOM 0 HA LEU A 53 -0.870 -11.131 10.984 1.00 22.30 H new ATOM 0 HB2 LEU A 53 1.535 -10.041 9.485 1.00 55.03 H new ATOM 0 HB3 LEU A 53 0.188 -9.019 9.944 1.00 55.03 H new ATOM 0 HG LEU A 53 1.813 -10.629 11.934 1.00 31.12 H new ATOM 0 HD11 LEU A 53 2.927 -8.499 12.475 1.00 35.41 H new ATOM 0 HD12 LEU A 53 3.246 -8.995 10.796 1.00 35.41 H new ATOM 0 HD13 LEU A 53 2.063 -7.709 11.135 1.00 35.41 H new ATOM 0 HD21 LEU A 53 0.787 -9.082 13.558 1.00 43.32 H new ATOM 0 HD22 LEU A 53 -0.127 -8.310 12.240 1.00 43.32 H new ATOM 0 HD23 LEU A 53 -0.447 -10.007 12.669 1.00 43.32 H new ATOM 802 N TYR A 54 -0.440 -11.232 7.707 1.00 72.41 N ATOM 803 CA TYR A 54 -1.103 -10.985 6.435 1.00 51.24 C ATOM 804 C TYR A 54 -1.238 -12.260 5.606 1.00 15.04 C ATOM 805 O TYR A 54 -1.335 -12.202 4.382 1.00 32.11 O ATOM 806 CB TYR A 54 -0.327 -9.929 5.643 1.00 13.13 C ATOM 807 CG TYR A 54 -0.137 -8.625 6.385 1.00 33.44 C ATOM 808 CD1 TYR A 54 -1.126 -7.649 6.380 1.00 44.41 C ATOM 809 CD2 TYR A 54 1.033 -8.370 7.092 1.00 10.43 C ATOM 810 CE1 TYR A 54 -0.953 -6.455 7.053 1.00 72.21 C ATOM 811 CE2 TYR A 54 1.210 -7.181 7.772 1.00 25.31 C ATOM 812 CZ TYR A 54 0.215 -6.228 7.748 1.00 1.02 C ATOM 813 OH TYR A 54 0.395 -5.040 8.417 1.00 11.24 O ATOM 0 H TYR A 54 0.511 -11.592 7.628 1.00 72.41 H new ATOM 0 HA TYR A 54 -2.108 -10.622 6.649 1.00 51.24 H new ATOM 0 HB2 TYR A 54 0.651 -10.332 5.380 1.00 13.13 H new ATOM 0 HB3 TYR A 54 -0.852 -9.731 4.709 1.00 13.13 H new ATOM 0 HD1 TYR A 54 -2.045 -7.827 5.841 1.00 44.41 H new ATOM 0 HD2 TYR A 54 1.816 -9.114 7.110 1.00 10.43 H new ATOM 0 HE1 TYR A 54 -1.729 -5.704 7.035 1.00 72.21 H new ATOM 0 HE2 TYR A 54 2.123 -6.999 8.319 1.00 25.31 H new ATOM 0 HH TYR A 54 0.974 -4.452 7.889 1.00 11.24 H new ATOM 822 N ASN A 55 -1.243 -13.413 6.264 1.00 11.33 N ATOM 823 CA ASN A 55 -1.427 -14.682 5.560 1.00 3.23 C ATOM 824 C ASN A 55 -2.794 -14.723 4.885 1.00 45.45 C ATOM 825 O ASN A 55 -3.822 -14.571 5.546 1.00 73.15 O ATOM 826 CB ASN A 55 -1.268 -15.871 6.513 1.00 25.43 C ATOM 827 CG ASN A 55 -1.465 -17.201 5.813 1.00 34.43 C ATOM 828 OD1 ASN A 55 -2.570 -17.738 5.763 1.00 2.51 O ATOM 829 ND2 ASN A 55 -0.386 -17.746 5.274 1.00 44.41 N ATOM 0 H ASN A 55 -1.123 -13.499 7.273 1.00 11.33 H new ATOM 0 HA ASN A 55 -0.655 -14.757 4.795 1.00 3.23 H new ATOM 0 HB2 ASN A 55 -0.275 -15.843 6.962 1.00 25.43 H new ATOM 0 HB3 ASN A 55 -1.988 -15.781 7.326 1.00 25.43 H new ATOM 0 HD21 ASN A 55 -0.453 -18.644 4.795 1.00 44.41 H new ATOM 0 HD22 ASN A 55 0.513 -17.268 5.337 1.00 44.41 H new ATOM 835 N ASP A 56 -2.784 -14.887 3.557 1.00 62.40 N ATOM 836 CA ASP A 56 -4.010 -14.883 2.738 1.00 55.01 C ATOM 837 C ASP A 56 -4.592 -13.467 2.644 1.00 30.21 C ATOM 838 O ASP A 56 -5.557 -13.209 1.922 1.00 10.54 O ATOM 839 CB ASP A 56 -5.046 -15.880 3.289 1.00 43.12 C ATOM 840 CG ASP A 56 -6.395 -15.782 2.604 1.00 44.21 C ATOM 841 OD1 ASP A 56 -6.517 -16.224 1.442 1.00 61.12 O ATOM 842 OD2 ASP A 56 -7.341 -15.256 3.232 1.00 42.33 O ATOM 0 H ASP A 56 -1.930 -15.026 3.017 1.00 62.40 H new ATOM 0 HA ASP A 56 -3.749 -15.206 1.730 1.00 55.01 H new ATOM 0 HB2 ASP A 56 -4.661 -16.893 3.175 1.00 43.12 H new ATOM 0 HB3 ASP A 56 -5.175 -15.706 4.357 1.00 43.12 H new ATOM 846 N ARG A 57 -3.966 -12.540 3.344 1.00 60.43 N ATOM 847 CA ARG A 57 -4.403 -11.161 3.362 1.00 24.21 C ATOM 848 C ARG A 57 -3.328 -10.287 2.731 1.00 52.20 C ATOM 849 O ARG A 57 -3.151 -9.136 3.119 1.00 45.30 O ATOM 850 CB ARG A 57 -4.659 -10.714 4.808 1.00 12.10 C ATOM 851 CG ARG A 57 -5.403 -9.392 4.923 1.00 53.04 C ATOM 852 CD ARG A 57 -5.210 -8.751 6.289 1.00 33.30 C ATOM 853 NE ARG A 57 -5.593 -9.638 7.386 1.00 4.44 N ATOM 854 CZ ARG A 57 -5.574 -9.285 8.670 1.00 1.15 C ATOM 855 NH1 ARG A 57 -5.307 -8.030 9.018 1.00 44.11 N ATOM 856 NH2 ARG A 57 -5.860 -10.179 9.606 1.00 22.55 N ATOM 0 H ARG A 57 -3.141 -12.724 3.915 1.00 60.43 H new ATOM 0 HA ARG A 57 -5.329 -11.064 2.795 1.00 24.21 H new ATOM 0 HB2 ARG A 57 -5.231 -11.487 5.321 1.00 12.10 H new ATOM 0 HB3 ARG A 57 -3.704 -10.628 5.326 1.00 12.10 H new ATOM 0 HG2 ARG A 57 -5.053 -8.709 4.149 1.00 53.04 H new ATOM 0 HG3 ARG A 57 -6.466 -9.557 4.746 1.00 53.04 H new ATOM 0 HD2 ARG A 57 -4.165 -8.464 6.407 1.00 33.30 H new ATOM 0 HD3 ARG A 57 -5.800 -7.836 6.344 1.00 33.30 H new ATOM 0 HE ARG A 57 -5.893 -10.585 7.154 1.00 4.44 H new ATOM 0 HH11 ARG A 57 -5.115 -7.331 8.300 1.00 44.11 H new ATOM 0 HH12 ARG A 57 -5.294 -7.766 10.003 1.00 44.11 H new ATOM 0 HH21 ARG A 57 -6.094 -11.136 9.342 1.00 22.55 H new ATOM 0 HH22 ARG A 57 -5.846 -9.910 10.590 1.00 22.55 H new ATOM 867 N VAL A 58 -2.612 -10.827 1.745 1.00 40.52 N ATOM 868 CA VAL A 58 -1.521 -10.093 1.144 1.00 42.54 C ATOM 869 C VAL A 58 -2.032 -9.122 0.081 1.00 30.34 C ATOM 870 O VAL A 58 -3.136 -8.597 0.242 1.00 63.04 O ATOM 871 CB VAL A 58 -0.383 -10.995 0.622 1.00 33.21 C ATOM 872 CG1 VAL A 58 0.686 -11.147 1.681 1.00 64.34 C ATOM 873 CG2 VAL A 58 -0.894 -12.353 0.175 1.00 41.42 C ATOM 0 H VAL A 58 -2.771 -11.757 1.356 1.00 40.52 H new ATOM 0 HA VAL A 58 -1.068 -9.504 1.941 1.00 42.54 H new ATOM 0 HB VAL A 58 0.049 -10.512 -0.254 1.00 33.21 H new ATOM 0 HG11 VAL A 58 1.485 -11.785 1.303 1.00 64.34 H new ATOM 0 HG12 VAL A 58 1.092 -10.167 1.931 1.00 64.34 H new ATOM 0 HG13 VAL A 58 0.253 -11.598 2.573 1.00 64.34 H new ATOM 0 HG21 VAL A 58 -0.060 -12.955 -0.185 1.00 41.42 H new ATOM 0 HG22 VAL A 58 -1.370 -12.858 1.016 1.00 41.42 H new ATOM 0 HG23 VAL A 58 -1.620 -12.222 -0.627 1.00 41.42 H new ATOM 883 N PRO A 59 -1.332 -8.948 -1.068 1.00 14.12 N ATOM 884 CA PRO A 59 -1.153 -7.657 -1.677 1.00 4.44 C ATOM 885 C PRO A 59 -1.903 -6.540 -0.955 1.00 31.55 C ATOM 886 O PRO A 59 -2.883 -5.989 -1.463 1.00 24.24 O ATOM 887 CB PRO A 59 -1.656 -7.915 -3.089 1.00 24.44 C ATOM 888 CG PRO A 59 -1.233 -9.330 -3.369 1.00 24.24 C ATOM 889 CD PRO A 59 -0.885 -9.964 -2.029 1.00 63.51 C ATOM 0 HA PRO A 59 -0.126 -7.293 -1.642 1.00 4.44 H new ATOM 0 HB2 PRO A 59 -2.738 -7.801 -3.155 1.00 24.44 H new ATOM 0 HB3 PRO A 59 -1.218 -7.218 -3.803 1.00 24.44 H new ATOM 0 HG2 PRO A 59 -2.034 -9.882 -3.860 1.00 24.24 H new ATOM 0 HG3 PRO A 59 -0.374 -9.350 -4.040 1.00 24.24 H new ATOM 0 HD2 PRO A 59 -1.400 -10.914 -1.884 1.00 63.51 H new ATOM 0 HD3 PRO A 59 0.183 -10.164 -1.940 1.00 63.51 H new ATOM 894 N VAL A 60 -1.419 -6.233 0.247 1.00 15.14 N ATOM 895 CA VAL A 60 -2.092 -5.315 1.156 1.00 44.33 C ATOM 896 C VAL A 60 -1.590 -3.903 0.963 1.00 72.31 C ATOM 897 O VAL A 60 -0.383 -3.663 0.921 1.00 43.12 O ATOM 898 CB VAL A 60 -1.878 -5.696 2.642 1.00 73.44 C ATOM 899 CG1 VAL A 60 -3.207 -5.917 3.344 1.00 21.32 C ATOM 900 CG2 VAL A 60 -0.994 -6.923 2.774 1.00 61.13 C ATOM 0 H VAL A 60 -0.548 -6.615 0.616 1.00 15.14 H new ATOM 0 HA VAL A 60 -3.154 -5.381 0.920 1.00 44.33 H new ATOM 0 HB VAL A 60 -1.370 -4.862 3.126 1.00 73.44 H new ATOM 0 HG11 VAL A 60 -3.028 -6.183 4.386 1.00 21.32 H new ATOM 0 HG12 VAL A 60 -3.798 -5.003 3.300 1.00 21.32 H new ATOM 0 HG13 VAL A 60 -3.749 -6.724 2.851 1.00 21.32 H new ATOM 0 HG21 VAL A 60 -0.863 -7.165 3.829 1.00 61.13 H new ATOM 0 HG22 VAL A 60 -1.462 -7.765 2.264 1.00 61.13 H new ATOM 0 HG23 VAL A 60 -0.022 -6.721 2.324 1.00 61.13 H new ATOM 910 N LEU A 61 -2.515 -2.972 0.841 1.00 10.14 N ATOM 911 CA LEU A 61 -2.157 -1.577 0.779 1.00 42.12 C ATOM 912 C LEU A 61 -2.321 -0.971 2.168 1.00 22.22 C ATOM 913 O LEU A 61 -3.436 -0.690 2.623 1.00 4.44 O ATOM 914 CB LEU A 61 -3.011 -0.853 -0.270 1.00 33.44 C ATOM 915 CG LEU A 61 -2.466 0.497 -0.755 1.00 40.00 C ATOM 916 CD1 LEU A 61 -2.729 1.591 0.266 1.00 12.21 C ATOM 917 CD2 LEU A 61 -0.971 0.398 -1.055 1.00 64.32 C ATOM 0 H LEU A 61 -3.516 -3.159 0.783 1.00 10.14 H new ATOM 0 HA LEU A 61 -1.117 -1.465 0.471 1.00 42.12 H new ATOM 0 HB2 LEU A 61 -3.126 -1.509 -1.133 1.00 33.44 H new ATOM 0 HB3 LEU A 61 -4.006 -0.694 0.145 1.00 33.44 H new ATOM 0 HG LEU A 61 -2.989 0.758 -1.675 1.00 40.00 H new ATOM 0 HD11 LEU A 61 -2.332 2.537 -0.104 1.00 12.21 H new ATOM 0 HD12 LEU A 61 -3.803 1.687 0.428 1.00 12.21 H new ATOM 0 HD13 LEU A 61 -2.241 1.336 1.207 1.00 12.21 H new ATOM 0 HD21 LEU A 61 -0.604 1.365 -1.397 1.00 64.32 H new ATOM 0 HD22 LEU A 61 -0.437 0.107 -0.151 1.00 64.32 H new ATOM 0 HD23 LEU A 61 -0.804 -0.349 -1.831 1.00 64.32 H new ATOM 928 N PHE A 62 -1.192 -0.803 2.839 1.00 41.42 N ATOM 929 CA PHE A 62 -1.158 -0.331 4.212 1.00 55.11 C ATOM 930 C PHE A 62 -0.939 1.173 4.251 1.00 13.42 C ATOM 931 O PHE A 62 0.028 1.688 3.683 1.00 45.35 O ATOM 932 CB PHE A 62 -0.042 -1.060 4.972 1.00 34.23 C ATOM 933 CG PHE A 62 0.111 -0.652 6.410 1.00 64.43 C ATOM 934 CD1 PHE A 62 -0.709 -1.195 7.389 1.00 42.52 C ATOM 935 CD2 PHE A 62 1.078 0.263 6.785 1.00 55.01 C ATOM 936 CE1 PHE A 62 -0.562 -0.834 8.712 1.00 55.12 C ATOM 937 CE2 PHE A 62 1.228 0.631 8.107 1.00 53.42 C ATOM 938 CZ PHE A 62 0.407 0.083 9.070 1.00 72.53 C ATOM 0 H PHE A 62 -0.271 -0.991 2.444 1.00 41.42 H new ATOM 0 HA PHE A 62 -2.114 -0.544 4.691 1.00 55.11 H new ATOM 0 HB2 PHE A 62 -0.234 -2.132 4.932 1.00 34.23 H new ATOM 0 HB3 PHE A 62 0.903 -0.886 4.457 1.00 34.23 H new ATOM 0 HD1 PHE A 62 -1.471 -1.908 7.112 1.00 42.52 H new ATOM 0 HD2 PHE A 62 1.724 0.695 6.034 1.00 55.01 H new ATOM 0 HE1 PHE A 62 -1.203 -1.267 9.466 1.00 55.12 H new ATOM 0 HE2 PHE A 62 1.987 1.347 8.387 1.00 53.42 H new ATOM 0 HZ PHE A 62 0.522 0.371 10.105 1.00 72.53 H new ATOM 947 N ALA A 63 -1.842 1.874 4.914 1.00 63.12 N ATOM 948 CA ALA A 63 -1.749 3.317 5.029 1.00 11.52 C ATOM 949 C ALA A 63 -0.875 3.704 6.213 1.00 10.13 C ATOM 950 O ALA A 63 -1.285 3.567 7.364 1.00 35.30 O ATOM 951 CB ALA A 63 -3.136 3.923 5.170 1.00 14.20 C ATOM 0 H ALA A 63 -2.650 1.465 5.382 1.00 63.12 H new ATOM 0 HA ALA A 63 -1.288 3.709 4.122 1.00 11.52 H new ATOM 0 HB1 ALA A 63 -3.053 5.006 5.255 1.00 14.20 H new ATOM 0 HB2 ALA A 63 -3.733 3.673 4.293 1.00 14.20 H new ATOM 0 HB3 ALA A 63 -3.618 3.525 6.063 1.00 14.20 H new ATOM 957 N VAL A 64 0.332 4.168 5.926 1.00 22.20 N ATOM 958 CA VAL A 64 1.253 4.598 6.969 1.00 15.05 C ATOM 959 C VAL A 64 0.712 5.860 7.641 1.00 52.14 C ATOM 960 O VAL A 64 -0.065 6.598 7.031 1.00 41.31 O ATOM 961 CB VAL A 64 2.665 4.849 6.381 1.00 71.33 C ATOM 962 CG1 VAL A 64 3.659 5.257 7.455 1.00 65.34 C ATOM 963 CG2 VAL A 64 3.159 3.609 5.655 1.00 23.43 C ATOM 0 H VAL A 64 0.698 4.257 4.978 1.00 22.20 H new ATOM 0 HA VAL A 64 1.339 3.809 7.716 1.00 15.05 H new ATOM 0 HB VAL A 64 2.585 5.674 5.673 1.00 71.33 H new ATOM 0 HG11 VAL A 64 4.636 5.424 7.002 1.00 65.34 H new ATOM 0 HG12 VAL A 64 3.320 6.175 7.934 1.00 65.34 H new ATOM 0 HG13 VAL A 64 3.735 4.465 8.200 1.00 65.34 H new ATOM 0 HG21 VAL A 64 4.152 3.798 5.246 1.00 23.43 H new ATOM 0 HG22 VAL A 64 3.207 2.773 6.353 1.00 23.43 H new ATOM 0 HG23 VAL A 64 2.473 3.365 4.844 1.00 23.43 H new ATOM 973 N ASN A 65 1.080 6.070 8.911 1.00 64.03 N ATOM 974 CA ASN A 65 0.580 7.192 9.730 1.00 43.34 C ATOM 975 C ASN A 65 -0.841 6.912 10.212 1.00 23.53 C ATOM 976 O ASN A 65 -1.203 7.232 11.344 1.00 30.51 O ATOM 977 CB ASN A 65 0.637 8.538 8.985 1.00 21.11 C ATOM 978 CG ASN A 65 2.051 9.064 8.828 1.00 41.10 C ATOM 979 OD1 ASN A 65 2.919 8.811 9.664 1.00 23.32 O ATOM 980 ND2 ASN A 65 2.295 9.800 7.755 1.00 2.33 N ATOM 0 H ASN A 65 1.736 5.466 9.406 1.00 64.03 H new ATOM 0 HA ASN A 65 1.242 7.274 10.592 1.00 43.34 H new ATOM 0 HB2 ASN A 65 0.186 8.422 7.999 1.00 21.11 H new ATOM 0 HB3 ASN A 65 0.039 9.272 9.525 1.00 21.11 H new ATOM 0 HD21 ASN A 65 3.229 10.179 7.598 1.00 2.33 H new ATOM 0 HD22 ASN A 65 1.549 9.988 7.085 1.00 2.33 H new ATOM 986 N GLU A 66 -1.643 6.319 9.341 1.00 43.01 N ATOM 987 CA GLU A 66 -2.946 5.804 9.725 1.00 3.11 C ATOM 988 C GLU A 66 -2.771 4.493 10.475 1.00 4.42 C ATOM 989 O GLU A 66 -3.509 4.192 11.418 1.00 53.22 O ATOM 990 CB GLU A 66 -3.812 5.582 8.484 1.00 34.45 C ATOM 991 CG GLU A 66 -4.493 6.835 7.978 1.00 43.22 C ATOM 992 CD GLU A 66 -5.535 7.331 8.947 1.00 74.54 C ATOM 993 OE1 GLU A 66 -6.658 6.784 8.952 1.00 53.21 O ATOM 994 OE2 GLU A 66 -5.230 8.258 9.725 1.00 5.23 O ATOM 0 H GLU A 66 -1.411 6.182 8.357 1.00 43.01 H new ATOM 0 HA GLU A 66 -3.441 6.529 10.372 1.00 3.11 H new ATOM 0 HB2 GLU A 66 -3.190 5.172 7.688 1.00 34.45 H new ATOM 0 HB3 GLU A 66 -4.572 4.835 8.712 1.00 34.45 H new ATOM 0 HG2 GLU A 66 -3.748 7.614 7.814 1.00 43.22 H new ATOM 0 HG3 GLU A 66 -4.959 6.632 7.014 1.00 43.22 H new ATOM 999 N ASP A 67 -1.777 3.724 10.035 1.00 44.01 N ATOM 1000 CA ASP A 67 -1.445 2.435 10.631 1.00 20.02 C ATOM 1001 C ASP A 67 -2.635 1.490 10.495 1.00 65.23 C ATOM 1002 O ASP A 67 -2.978 0.744 11.416 1.00 15.54 O ATOM 1003 CB ASP A 67 -1.037 2.612 12.098 1.00 74.13 C ATOM 1004 CG ASP A 67 0.130 1.727 12.486 1.00 15.34 C ATOM 1005 OD1 ASP A 67 1.256 1.973 11.992 1.00 41.22 O ATOM 1006 OD2 ASP A 67 -0.059 0.794 13.293 1.00 62.24 O ATOM 0 H ASP A 67 -1.177 3.980 9.251 1.00 44.01 H new ATOM 0 HA ASP A 67 -0.595 2.000 10.105 1.00 20.02 H new ATOM 0 HB2 ASP A 67 -0.773 3.655 12.275 1.00 74.13 H new ATOM 0 HB3 ASP A 67 -1.889 2.386 12.739 1.00 74.13 H new ATOM 1010 N LYS A 68 -3.257 1.534 9.321 1.00 12.20 N ATOM 1011 CA LYS A 68 -4.439 0.729 9.031 1.00 21.42 C ATOM 1012 C LYS A 68 -4.403 0.229 7.594 1.00 73.10 C ATOM 1013 O LYS A 68 -3.645 0.741 6.767 1.00 31.13 O ATOM 1014 CB LYS A 68 -5.715 1.552 9.237 1.00 72.14 C ATOM 1015 CG LYS A 68 -5.739 2.830 8.409 1.00 13.10 C ATOM 1016 CD LYS A 68 -7.117 3.135 7.841 1.00 3.42 C ATOM 1017 CE LYS A 68 -8.156 3.390 8.918 1.00 63.31 C ATOM 1018 NZ LYS A 68 -7.789 4.526 9.806 1.00 14.32 N ATOM 0 H LYS A 68 -2.958 2.126 8.546 1.00 12.20 H new ATOM 0 HA LYS A 68 -4.440 -0.121 9.714 1.00 21.42 H new ATOM 0 HB2 LYS A 68 -6.580 0.942 8.978 1.00 72.14 H new ATOM 0 HB3 LYS A 68 -5.810 1.808 10.292 1.00 72.14 H new ATOM 0 HG2 LYS A 68 -5.413 3.666 9.028 1.00 13.10 H new ATOM 0 HG3 LYS A 68 -5.024 2.741 7.591 1.00 13.10 H new ATOM 0 HD2 LYS A 68 -7.052 4.008 7.192 1.00 3.42 H new ATOM 0 HD3 LYS A 68 -7.442 2.300 7.220 1.00 3.42 H new ATOM 0 HE2 LYS A 68 -9.118 3.596 8.449 1.00 63.31 H new ATOM 0 HE3 LYS A 68 -8.281 2.489 9.519 1.00 63.31 H new ATOM 0 HZ1 LYS A 68 -8.643 5.068 10.047 1.00 14.32 H new ATOM 0 HZ2 LYS A 68 -7.354 4.160 10.677 1.00 14.32 H new ATOM 0 HZ3 LYS A 68 -7.113 5.145 9.316 1.00 14.32 H new ATOM 1028 N GLU A 69 -5.235 -0.758 7.297 1.00 73.31 N ATOM 1029 CA GLU A 69 -5.387 -1.253 5.939 1.00 34.43 C ATOM 1030 C GLU A 69 -6.442 -0.441 5.202 1.00 5.32 C ATOM 1031 O GLU A 69 -7.512 -0.168 5.749 1.00 75.34 O ATOM 1032 CB GLU A 69 -5.815 -2.719 5.946 1.00 25.32 C ATOM 1033 CG GLU A 69 -4.792 -3.682 6.523 1.00 3.21 C ATOM 1034 CD GLU A 69 -5.316 -5.106 6.553 1.00 1.34 C ATOM 1035 OE1 GLU A 69 -5.814 -5.582 5.510 1.00 72.24 O ATOM 1036 OE2 GLU A 69 -5.266 -5.743 7.627 1.00 40.42 O ATOM 0 H GLU A 69 -5.819 -1.234 7.985 1.00 73.31 H new ATOM 0 HA GLU A 69 -4.425 -1.158 5.436 1.00 34.43 H new ATOM 0 HB2 GLU A 69 -6.740 -2.810 6.516 1.00 25.32 H new ATOM 0 HB3 GLU A 69 -6.040 -3.021 4.923 1.00 25.32 H new ATOM 0 HG2 GLU A 69 -3.879 -3.643 5.928 1.00 3.21 H new ATOM 0 HG3 GLU A 69 -4.528 -3.370 7.533 1.00 3.21 H new ATOM 1041 N LEU A 70 -6.150 -0.048 3.970 1.00 71.25 N ATOM 1042 CA LEU A 70 -7.159 0.596 3.139 1.00 42.14 C ATOM 1043 C LEU A 70 -7.906 -0.466 2.342 1.00 42.31 C ATOM 1044 O LEU A 70 -9.135 -0.515 2.342 1.00 4.25 O ATOM 1045 CB LEU A 70 -6.538 1.630 2.190 1.00 21.41 C ATOM 1046 CG LEU A 70 -5.781 2.778 2.859 1.00 43.33 C ATOM 1047 CD1 LEU A 70 -5.404 3.820 1.819 1.00 42.34 C ATOM 1048 CD2 LEU A 70 -6.604 3.414 3.974 1.00 31.25 C ATOM 0 H LEU A 70 -5.238 -0.161 3.528 1.00 71.25 H new ATOM 0 HA LEU A 70 -7.852 1.127 3.791 1.00 42.14 H new ATOM 0 HB2 LEU A 70 -5.854 1.113 1.517 1.00 21.41 H new ATOM 0 HB3 LEU A 70 -7.332 2.053 1.575 1.00 21.41 H new ATOM 0 HG LEU A 70 -4.875 2.372 3.309 1.00 43.33 H new ATOM 0 HD11 LEU A 70 -4.865 4.636 2.300 1.00 42.34 H new ATOM 0 HD12 LEU A 70 -4.769 3.363 1.060 1.00 42.34 H new ATOM 0 HD13 LEU A 70 -6.308 4.209 1.350 1.00 42.34 H new ATOM 0 HD21 LEU A 70 -6.036 4.226 4.428 1.00 31.25 H new ATOM 0 HD22 LEU A 70 -7.533 3.807 3.561 1.00 31.25 H new ATOM 0 HD23 LEU A 70 -6.832 2.664 4.731 1.00 31.25 H new ATOM 1059 N CYS A 71 -7.144 -1.332 1.688 1.00 14.11 N ATOM 1060 CA CYS A 71 -7.704 -2.438 0.929 1.00 51.03 C ATOM 1061 C CYS A 71 -6.583 -3.399 0.553 1.00 52.51 C ATOM 1062 O CYS A 71 -5.404 -3.054 0.677 1.00 32.03 O ATOM 1063 CB CYS A 71 -8.422 -1.922 -0.326 1.00 35.50 C ATOM 1064 SG CYS A 71 -9.463 -3.149 -1.148 1.00 44.22 S ATOM 0 H CYS A 71 -6.125 -1.287 1.669 1.00 14.11 H new ATOM 0 HA CYS A 71 -8.439 -2.963 1.539 1.00 51.03 H new ATOM 0 HB2 CYS A 71 -9.038 -1.066 -0.051 1.00 35.50 H new ATOM 0 HB3 CYS A 71 -7.676 -1.563 -1.035 1.00 35.50 H new ATOM 0 HG CYS A 71 -10.425 -2.547 -1.782 1.00 44.22 H new ATOM 1069 N HIS A 72 -6.935 -4.597 0.112 1.00 2.15 N ATOM 1070 CA HIS A 72 -5.935 -5.584 -0.270 1.00 14.54 C ATOM 1071 C HIS A 72 -6.417 -6.405 -1.459 1.00 34.33 C ATOM 1072 O HIS A 72 -7.609 -6.683 -1.575 1.00 14.22 O ATOM 1073 CB HIS A 72 -5.560 -6.487 0.918 1.00 22.24 C ATOM 1074 CG HIS A 72 -6.685 -7.301 1.496 1.00 2.22 C ATOM 1075 ND1 HIS A 72 -7.069 -8.573 1.253 1.00 1.03 N flip ATOM 1076 CD2 HIS A 72 -7.539 -6.831 2.469 1.00 22.31 C flip ATOM 1077 CE1 HIS A 72 -8.130 -8.851 2.075 1.00 63.54 C flip ATOM 1078 NE2 HIS A 72 -8.394 -7.781 2.798 1.00 24.43 N flip ATOM 0 H HIS A 72 -7.901 -4.909 0.010 1.00 2.15 H new ATOM 0 HA HIS A 72 -5.033 -5.052 -0.572 1.00 14.54 H new ATOM 0 HB2 HIS A 72 -4.770 -7.167 0.599 1.00 22.24 H new ATOM 0 HB3 HIS A 72 -5.144 -5.863 1.709 1.00 22.24 H new ATOM 0 HD1 HIS A 72 -6.646 -9.211 0.579 1.00 1.03 H new ATOM 0 HD2 HIS A 72 -7.513 -5.839 2.896 1.00 22.31 H new ATOM 0 HE1 HIS A 72 -8.661 -9.790 2.122 1.00 63.54 H new ATOM 1085 N TYR A 73 -5.475 -6.757 -2.341 1.00 25.54 N ATOM 1086 CA TYR A 73 -5.753 -7.483 -3.593 1.00 13.45 C ATOM 1087 C TYR A 73 -6.406 -6.577 -4.643 1.00 25.11 C ATOM 1088 O TYR A 73 -6.141 -6.712 -5.833 1.00 31.45 O ATOM 1089 CB TYR A 73 -6.621 -8.730 -3.369 1.00 64.45 C ATOM 1090 CG TYR A 73 -5.932 -9.840 -2.606 1.00 30.23 C ATOM 1091 CD1 TYR A 73 -4.855 -10.527 -3.153 1.00 22.02 C ATOM 1092 CD2 TYR A 73 -6.370 -10.211 -1.346 1.00 72.23 C ATOM 1093 CE1 TYR A 73 -4.236 -11.551 -2.459 1.00 34.24 C ATOM 1094 CE2 TYR A 73 -5.755 -11.226 -0.644 1.00 31.35 C ATOM 1095 CZ TYR A 73 -4.689 -11.894 -1.203 1.00 42.31 C ATOM 1096 OH TYR A 73 -4.084 -12.911 -0.506 1.00 35.33 O ATOM 0 H TYR A 73 -4.486 -6.545 -2.207 1.00 25.54 H new ATOM 0 HA TYR A 73 -4.784 -7.811 -3.968 1.00 13.45 H new ATOM 0 HB2 TYR A 73 -7.522 -8.439 -2.829 1.00 64.45 H new ATOM 0 HB3 TYR A 73 -6.940 -9.115 -4.338 1.00 64.45 H new ATOM 0 HD1 TYR A 73 -4.496 -10.257 -4.135 1.00 22.02 H new ATOM 0 HD2 TYR A 73 -7.210 -9.695 -0.904 1.00 72.23 H new ATOM 0 HE1 TYR A 73 -3.403 -12.079 -2.899 1.00 34.24 H new ATOM 0 HE2 TYR A 73 -6.108 -11.496 0.340 1.00 31.35 H new ATOM 0 HH TYR A 73 -4.716 -13.284 0.143 1.00 35.33 H new ATOM 1105 N PHE A 74 -7.235 -5.648 -4.198 1.00 31.12 N ATOM 1106 CA PHE A 74 -7.970 -4.778 -5.094 1.00 14.31 C ATOM 1107 C PHE A 74 -7.724 -3.331 -4.714 1.00 15.34 C ATOM 1108 O PHE A 74 -7.224 -3.042 -3.625 1.00 23.43 O ATOM 1109 CB PHE A 74 -9.466 -5.095 -5.049 1.00 54.14 C ATOM 1110 CG PHE A 74 -9.853 -6.347 -5.785 1.00 3.34 C ATOM 1111 CD1 PHE A 74 -9.999 -6.336 -7.162 1.00 10.23 C ATOM 1112 CD2 PHE A 74 -10.079 -7.530 -5.098 1.00 43.15 C ATOM 1113 CE1 PHE A 74 -10.364 -7.483 -7.842 1.00 43.33 C ATOM 1114 CE2 PHE A 74 -10.446 -8.678 -5.772 1.00 51.32 C ATOM 1115 CZ PHE A 74 -10.588 -8.655 -7.147 1.00 32.10 C ATOM 0 H PHE A 74 -7.416 -5.478 -3.209 1.00 31.12 H new ATOM 0 HA PHE A 74 -7.620 -4.945 -6.113 1.00 14.31 H new ATOM 0 HB2 PHE A 74 -9.775 -5.189 -4.008 1.00 54.14 H new ATOM 0 HB3 PHE A 74 -10.017 -4.254 -5.470 1.00 54.14 H new ATOM 0 HD1 PHE A 74 -9.826 -5.422 -7.710 1.00 10.23 H new ATOM 0 HD2 PHE A 74 -9.967 -7.554 -4.024 1.00 43.15 H new ATOM 0 HE1 PHE A 74 -10.474 -7.462 -8.916 1.00 43.33 H new ATOM 0 HE2 PHE A 74 -10.622 -9.593 -5.226 1.00 51.32 H new ATOM 0 HZ PHE A 74 -10.874 -9.552 -7.677 1.00 32.10 H new ATOM 1124 N LEU A 75 -8.078 -2.424 -5.603 1.00 72.41 N ATOM 1125 CA LEU A 75 -7.778 -1.025 -5.399 1.00 64.15 C ATOM 1126 C LEU A 75 -9.051 -0.195 -5.356 1.00 55.20 C ATOM 1127 O LEU A 75 -9.674 0.064 -6.386 1.00 52.52 O ATOM 1128 CB LEU A 75 -6.855 -0.530 -6.505 1.00 34.25 C ATOM 1129 CG LEU A 75 -6.237 0.848 -6.261 1.00 3.34 C ATOM 1130 CD1 LEU A 75 -5.270 0.791 -5.092 1.00 34.11 C ATOM 1131 CD2 LEU A 75 -5.527 1.339 -7.507 1.00 4.52 C ATOM 0 H LEU A 75 -8.572 -2.632 -6.471 1.00 72.41 H new ATOM 0 HA LEU A 75 -7.275 -0.914 -4.438 1.00 64.15 H new ATOM 0 HB2 LEU A 75 -6.051 -1.254 -6.638 1.00 34.25 H new ATOM 0 HB3 LEU A 75 -7.415 -0.500 -7.439 1.00 34.25 H new ATOM 0 HG LEU A 75 -7.037 1.548 -6.020 1.00 3.34 H new ATOM 0 HD11 LEU A 75 -4.837 1.778 -4.929 1.00 34.11 H new ATOM 0 HD12 LEU A 75 -5.802 0.476 -4.195 1.00 34.11 H new ATOM 0 HD13 LEU A 75 -4.475 0.078 -5.312 1.00 34.11 H new ATOM 0 HD21 LEU A 75 -5.093 2.321 -7.316 1.00 4.52 H new ATOM 0 HD22 LEU A 75 -4.736 0.639 -7.775 1.00 4.52 H new ATOM 0 HD23 LEU A 75 -6.241 1.411 -8.328 1.00 4.52 H new ATOM 1142 N ASP A 76 -9.445 0.193 -4.155 1.00 3.11 N ATOM 1143 CA ASP A 76 -10.574 1.088 -3.975 1.00 64.11 C ATOM 1144 C ASP A 76 -10.098 2.531 -4.054 1.00 24.02 C ATOM 1145 O ASP A 76 -9.598 3.089 -3.072 1.00 32.33 O ATOM 1146 CB ASP A 76 -11.271 0.827 -2.635 1.00 63.21 C ATOM 1147 CG ASP A 76 -12.152 -0.410 -2.663 1.00 64.15 C ATOM 1148 OD1 ASP A 76 -11.624 -1.538 -2.558 1.00 64.21 O ATOM 1149 OD2 ASP A 76 -13.388 -0.259 -2.783 1.00 12.21 O ATOM 0 H ASP A 76 -8.997 -0.100 -3.287 1.00 3.11 H new ATOM 0 HA ASP A 76 -11.297 0.904 -4.769 1.00 64.11 H new ATOM 0 HB2 ASP A 76 -10.518 0.714 -1.855 1.00 63.21 H new ATOM 0 HB3 ASP A 76 -11.877 1.694 -2.371 1.00 63.21 H new ATOM 1153 N SER A 77 -10.236 3.118 -5.236 1.00 70.45 N ATOM 1154 CA SER A 77 -9.754 4.467 -5.493 1.00 31.42 C ATOM 1155 C SER A 77 -10.449 5.490 -4.595 1.00 72.21 C ATOM 1156 O SER A 77 -9.858 6.508 -4.230 1.00 63.15 O ATOM 1157 CB SER A 77 -9.970 4.822 -6.963 1.00 22.43 C ATOM 1158 OG SER A 77 -9.507 3.776 -7.804 1.00 51.32 O ATOM 0 H SER A 77 -10.683 2.675 -6.039 1.00 70.45 H new ATOM 0 HA SER A 77 -8.688 4.496 -5.265 1.00 31.42 H new ATOM 0 HB2 SER A 77 -11.029 5.002 -7.147 1.00 22.43 H new ATOM 0 HB3 SER A 77 -9.444 5.746 -7.200 1.00 22.43 H new ATOM 0 HG SER A 77 -9.655 4.020 -8.741 1.00 51.32 H new ATOM 1163 N ASP A 78 -11.694 5.204 -4.227 1.00 2.11 N ATOM 1164 CA ASP A 78 -12.457 6.098 -3.356 1.00 35.32 C ATOM 1165 C ASP A 78 -11.804 6.192 -1.981 1.00 54.23 C ATOM 1166 O ASP A 78 -11.679 7.279 -1.414 1.00 12.15 O ATOM 1167 CB ASP A 78 -13.910 5.622 -3.206 1.00 74.12 C ATOM 1168 CG ASP A 78 -14.712 5.746 -4.486 1.00 45.22 C ATOM 1169 OD1 ASP A 78 -15.065 6.883 -4.866 1.00 53.33 O ATOM 1170 OD2 ASP A 78 -14.999 4.707 -5.120 1.00 25.51 O ATOM 0 H ASP A 78 -12.196 4.364 -4.516 1.00 2.11 H new ATOM 0 HA ASP A 78 -12.462 7.084 -3.820 1.00 35.32 H new ATOM 0 HB2 ASP A 78 -13.913 4.581 -2.882 1.00 74.12 H new ATOM 0 HB3 ASP A 78 -14.397 6.202 -2.422 1.00 74.12 H new ATOM 1174 N VAL A 79 -11.364 5.053 -1.458 1.00 71.21 N ATOM 1175 CA VAL A 79 -10.779 4.996 -0.125 1.00 23.02 C ATOM 1176 C VAL A 79 -9.360 5.559 -0.116 1.00 3.33 C ATOM 1177 O VAL A 79 -9.004 6.346 0.764 1.00 22.32 O ATOM 1178 CB VAL A 79 -10.789 3.551 0.424 1.00 14.44 C ATOM 1179 CG1 VAL A 79 -10.032 3.462 1.743 1.00 64.14 C ATOM 1180 CG2 VAL A 79 -12.222 3.077 0.598 1.00 22.41 C ATOM 0 H VAL A 79 -11.402 4.154 -1.939 1.00 71.21 H new ATOM 0 HA VAL A 79 -11.393 5.617 0.527 1.00 23.02 H new ATOM 0 HB VAL A 79 -10.285 2.904 -0.293 1.00 14.44 H new ATOM 0 HG11 VAL A 79 -10.055 2.435 2.107 1.00 64.14 H new ATOM 0 HG12 VAL A 79 -8.998 3.770 1.590 1.00 64.14 H new ATOM 0 HG13 VAL A 79 -10.501 4.117 2.477 1.00 64.14 H new ATOM 0 HG21 VAL A 79 -12.224 2.058 0.985 1.00 22.41 H new ATOM 0 HG22 VAL A 79 -12.739 3.732 1.299 1.00 22.41 H new ATOM 0 HG23 VAL A 79 -12.732 3.100 -0.365 1.00 22.41 H new ATOM 1190 N ILE A 80 -8.555 5.187 -1.104 1.00 22.20 N ATOM 1191 CA ILE A 80 -7.193 5.692 -1.172 1.00 32.55 C ATOM 1192 C ILE A 80 -7.199 7.199 -1.439 1.00 32.23 C ATOM 1193 O ILE A 80 -6.358 7.924 -0.922 1.00 71.25 O ATOM 1194 CB ILE A 80 -6.332 4.961 -2.237 1.00 53.13 C ATOM 1195 CG1 ILE A 80 -4.901 5.495 -2.227 1.00 12.11 C ATOM 1196 CG2 ILE A 80 -6.930 5.106 -3.619 1.00 72.23 C ATOM 1197 CD1 ILE A 80 -4.157 5.166 -0.964 1.00 64.40 C ATOM 0 H ILE A 80 -8.817 4.549 -1.856 1.00 22.20 H new ATOM 0 HA ILE A 80 -6.734 5.494 -0.204 1.00 32.55 H new ATOM 0 HB ILE A 80 -6.317 3.901 -1.982 1.00 53.13 H new ATOM 0 HG12 ILE A 80 -4.360 5.082 -3.078 1.00 12.11 H new ATOM 0 HG13 ILE A 80 -4.923 6.577 -2.357 1.00 12.11 H new ATOM 0 HG21 ILE A 80 -6.304 4.584 -4.343 1.00 72.23 H new ATOM 0 HG22 ILE A 80 -7.932 4.677 -3.629 1.00 72.23 H new ATOM 0 HG23 ILE A 80 -6.985 6.162 -3.883 1.00 72.23 H new ATOM 0 HD11 ILE A 80 -3.147 5.573 -1.020 1.00 64.40 H new ATOM 0 HD12 ILE A 80 -4.677 5.602 -0.111 1.00 64.40 H new ATOM 0 HD13 ILE A 80 -4.106 4.084 -0.843 1.00 64.40 H new ATOM 1208 N GLY A 81 -8.173 7.665 -2.218 1.00 74.04 N ATOM 1209 CA GLY A 81 -8.304 9.088 -2.477 1.00 21.14 C ATOM 1210 C GLY A 81 -8.633 9.861 -1.216 1.00 21.23 C ATOM 1211 O GLY A 81 -8.173 10.988 -1.029 1.00 13.30 O ATOM 0 H GLY A 81 -8.874 7.081 -2.674 1.00 74.04 H new ATOM 0 HA2 GLY A 81 -7.375 9.467 -2.904 1.00 21.14 H new ATOM 0 HA3 GLY A 81 -9.086 9.252 -3.218 1.00 21.14 H new ATOM 1215 N ALA A 82 -9.418 9.242 -0.344 1.00 52.10 N ATOM 1216 CA ALA A 82 -9.775 9.842 0.934 1.00 22.02 C ATOM 1217 C ALA A 82 -8.544 10.014 1.822 1.00 41.52 C ATOM 1218 O ALA A 82 -8.445 10.971 2.591 1.00 11.51 O ATOM 1219 CB ALA A 82 -10.821 8.988 1.633 1.00 64.14 C ATOM 0 H ALA A 82 -9.822 8.318 -0.501 1.00 52.10 H new ATOM 0 HA ALA A 82 -10.192 10.831 0.746 1.00 22.02 H new ATOM 0 HB1 ALA A 82 -11.083 9.443 2.588 1.00 64.14 H new ATOM 0 HB2 ALA A 82 -11.711 8.919 1.008 1.00 64.14 H new ATOM 0 HB3 ALA A 82 -10.420 7.989 1.805 1.00 64.14 H new ATOM 1225 N TYR A 83 -7.606 9.087 1.699 1.00 74.23 N ATOM 1226 CA TYR A 83 -6.385 9.114 2.495 1.00 12.31 C ATOM 1227 C TYR A 83 -5.292 9.956 1.834 1.00 44.35 C ATOM 1228 O TYR A 83 -4.569 10.687 2.507 1.00 12.40 O ATOM 1229 CB TYR A 83 -5.872 7.688 2.723 1.00 62.41 C ATOM 1230 CG TYR A 83 -4.448 7.635 3.237 1.00 33.13 C ATOM 1231 CD1 TYR A 83 -4.160 7.832 4.582 1.00 45.55 C ATOM 1232 CD2 TYR A 83 -3.388 7.411 2.367 1.00 61.04 C ATOM 1233 CE1 TYR A 83 -2.858 7.803 5.044 1.00 11.24 C ATOM 1234 CE2 TYR A 83 -2.085 7.387 2.820 1.00 62.34 C ATOM 1235 CZ TYR A 83 -1.825 7.581 4.157 1.00 34.53 C ATOM 1236 OH TYR A 83 -0.522 7.568 4.605 1.00 15.14 O ATOM 0 H TYR A 83 -7.667 8.301 1.051 1.00 74.23 H new ATOM 0 HA TYR A 83 -6.629 9.574 3.452 1.00 12.31 H new ATOM 0 HB2 TYR A 83 -6.526 7.184 3.435 1.00 62.41 H new ATOM 0 HB3 TYR A 83 -5.933 7.134 1.786 1.00 62.41 H new ATOM 0 HD1 TYR A 83 -4.967 8.011 5.277 1.00 45.55 H new ATOM 0 HD2 TYR A 83 -3.588 7.253 1.317 1.00 61.04 H new ATOM 0 HE1 TYR A 83 -2.650 7.953 6.093 1.00 11.24 H new ATOM 0 HE2 TYR A 83 -1.273 7.217 2.128 1.00 62.34 H new ATOM 0 HH TYR A 83 -0.510 7.404 5.571 1.00 15.14 H new ATOM 1245 N LEU A 84 -5.172 9.844 0.518 1.00 71.24 N ATOM 1246 CA LEU A 84 -4.059 10.453 -0.211 1.00 44.11 C ATOM 1247 C LEU A 84 -4.228 11.961 -0.393 1.00 32.22 C ATOM 1248 O LEU A 84 -3.401 12.611 -1.034 1.00 50.05 O ATOM 1249 CB LEU A 84 -3.898 9.770 -1.571 1.00 12.35 C ATOM 1250 CG LEU A 84 -2.555 9.071 -1.796 1.00 62.32 C ATOM 1251 CD1 LEU A 84 -1.438 10.090 -1.935 1.00 53.04 C ATOM 1252 CD2 LEU A 84 -2.251 8.112 -0.660 1.00 22.15 C ATOM 0 H LEU A 84 -5.832 9.336 -0.071 1.00 71.24 H new ATOM 0 HA LEU A 84 -3.160 10.307 0.387 1.00 44.11 H new ATOM 0 HB2 LEU A 84 -4.695 9.036 -1.687 1.00 12.35 H new ATOM 0 HB3 LEU A 84 -4.036 10.517 -2.353 1.00 12.35 H new ATOM 0 HG LEU A 84 -2.622 8.500 -2.722 1.00 62.32 H new ATOM 0 HD11 LEU A 84 -0.492 9.573 -2.094 1.00 53.04 H new ATOM 0 HD12 LEU A 84 -1.643 10.741 -2.785 1.00 53.04 H new ATOM 0 HD13 LEU A 84 -1.376 10.688 -1.026 1.00 53.04 H new ATOM 0 HD21 LEU A 84 -1.292 7.626 -0.841 1.00 22.15 H new ATOM 0 HD22 LEU A 84 -2.207 8.663 0.279 1.00 22.15 H new ATOM 0 HD23 LEU A 84 -3.035 7.357 -0.602 1.00 22.15 H new ATOM 1263 N SER A 85 -5.293 12.515 0.154 1.00 0.45 N ATOM 1264 CA SER A 85 -5.505 13.951 0.106 1.00 22.45 C ATOM 1265 C SER A 85 -6.255 14.415 1.350 1.00 13.24 C ATOM 1266 O SER A 85 -6.604 13.603 2.205 1.00 0.00 O ATOM 1267 CB SER A 85 -6.269 14.327 -1.164 1.00 32.43 C ATOM 1268 OG SER A 85 -5.547 13.921 -2.316 1.00 63.32 O ATOM 0 H SER A 85 -6.025 11.994 0.637 1.00 0.45 H new ATOM 0 HA SER A 85 -4.538 14.453 0.085 1.00 22.45 H new ATOM 0 HB2 SER A 85 -7.251 13.855 -1.158 1.00 32.43 H new ATOM 0 HB3 SER A 85 -6.433 15.404 -1.191 1.00 32.43 H new ATOM 0 HG SER A 85 -6.049 14.167 -3.121 1.00 63.32 H new TER 1273 SER A 85