USER MOD reduce.3.24.130724 H: found=0, std=0, add=545, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 545 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 92 ASN : amide:sc= -0.801 K(o=-1,f=0.47) USER MOD Set 1.2: A 93 GLN : amide:sc= -0.24 K(o=-1,f=0.1) USER MOD Single : A 30 SER OG : rot 34:sc= 0.191 USER MOD Single : A 31 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 THR OG1 : rot 151:sc= 0.121 USER MOD Single : A 44 GLN : amide:sc= 1.17 K(o=1.2,f=-0.032) USER MOD Single : A 46 SER OG : rot -94:sc= 0.437 USER MOD Single : A 49 ASN : amide:sc= 1.09 K(o=1.1,f=0) USER MOD Single : A 58 MET CE :methyl -165:sc= -1.73 (180deg=-2.4) USER MOD Single : A 59 LYS NZ :NH3+ -152:sc= 1.25 (180deg=0.958) USER MOD Single : A 62 LYS NZ :NH3+ -165:sc= 0.971 (180deg=0.808) USER MOD Single : A 65 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 77 SER OG : rot -96:sc= 1.33 USER MOD Single : A 80 LYS NZ :NH3+ 173:sc= 1.26 (180deg=1.21) USER MOD Single : A 86 HIS : no HE2:sc= 0.438 K(o=0.44,f=-3.3!) USER MOD Single : A 88 LYS NZ :NH3+ 161:sc= 0.639 (180deg=0.414) USER MOD Single : A 89 SER OG : rot 48:sc= 0.0549 USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 100 SER OG : rot -177:sc= -0.883 USER MOD ----------------------------------------------------------------- ATOM 35 N SER A 30 5.724 10.106 6.129 1.00 0.00 N ATOM 36 CA SER A 30 5.579 10.035 4.676 1.00 0.00 C ATOM 37 C SER A 30 4.210 10.472 4.122 1.00 0.00 C ATOM 38 O SER A 30 4.102 10.761 2.934 1.00 0.00 O ATOM 39 CB SER A 30 5.835 8.586 4.236 1.00 0.00 C ATOM 40 OG SER A 30 7.059 8.090 4.754 1.00 0.00 O ATOM 0 HA SER A 30 6.302 10.744 4.273 1.00 0.00 H new ATOM 0 HB2 SER A 30 5.014 7.953 4.572 1.00 0.00 H new ATOM 0 HB3 SER A 30 5.852 8.534 3.147 1.00 0.00 H new ATOM 0 HG SER A 30 7.223 8.482 5.637 1.00 0.00 H new ATOM 46 N ASN A 31 3.168 10.521 4.961 1.00 0.00 N ATOM 47 CA ASN A 31 1.765 10.893 4.684 1.00 0.00 C ATOM 48 C ASN A 31 1.016 10.159 3.543 1.00 0.00 C ATOM 49 O ASN A 31 -0.188 10.379 3.402 1.00 0.00 O ATOM 50 CB ASN A 31 1.634 12.415 4.505 1.00 0.00 C ATOM 51 CG ASN A 31 1.839 13.187 5.794 1.00 0.00 C ATOM 52 OD1 ASN A 31 0.899 13.534 6.494 1.00 0.00 O ATOM 53 ND2 ASN A 31 3.064 13.481 6.152 1.00 0.00 N ATOM 0 H ASN A 31 3.292 10.280 5.944 1.00 0.00 H new ATOM 0 HA ASN A 31 1.253 10.538 5.578 1.00 0.00 H new ATOM 0 HB2 ASN A 31 2.362 12.752 3.767 1.00 0.00 H new ATOM 0 HB3 ASN A 31 0.646 12.644 4.105 1.00 0.00 H new ATOM 0 HD21 ASN A 31 3.233 13.999 7.014 1.00 0.00 H new ATOM 0 HD22 ASN A 31 3.849 13.192 5.569 1.00 0.00 H new ATOM 60 N THR A 32 1.650 9.299 2.734 1.00 0.00 N ATOM 61 CA THR A 32 1.029 8.822 1.477 1.00 0.00 C ATOM 62 C THR A 32 1.312 7.373 1.070 1.00 0.00 C ATOM 63 O THR A 32 1.084 7.045 -0.086 1.00 0.00 O ATOM 64 CB THR A 32 1.416 9.748 0.301 1.00 0.00 C ATOM 65 OG1 THR A 32 2.753 9.541 -0.091 1.00 0.00 O ATOM 66 CG2 THR A 32 1.286 11.245 0.584 1.00 0.00 C ATOM 0 H THR A 32 2.579 8.920 2.918 1.00 0.00 H new ATOM 0 HA THR A 32 -0.038 8.853 1.699 1.00 0.00 H new ATOM 0 HB THR A 32 0.701 9.477 -0.476 1.00 0.00 H new ATOM 0 HG1 THR A 32 2.848 9.738 -1.046 1.00 0.00 H new ATOM 0 HG21 THR A 32 1.580 11.809 -0.301 1.00 0.00 H new ATOM 0 HG22 THR A 32 0.252 11.479 0.837 1.00 0.00 H new ATOM 0 HG23 THR A 32 1.933 11.515 1.418 1.00 0.00 H new ATOM 74 N ARG A 33 1.757 6.475 1.966 1.00 0.00 N ATOM 75 CA ARG A 33 2.339 5.179 1.549 1.00 0.00 C ATOM 76 C ARG A 33 1.727 3.925 2.157 1.00 0.00 C ATOM 77 O ARG A 33 1.693 3.703 3.365 1.00 0.00 O ATOM 78 CB ARG A 33 3.835 5.150 1.844 1.00 0.00 C ATOM 79 CG ARG A 33 4.732 5.780 0.793 1.00 0.00 C ATOM 80 CD ARG A 33 6.188 5.932 1.256 1.00 0.00 C ATOM 81 NE ARG A 33 7.022 6.295 0.093 1.00 0.00 N ATOM 82 CZ ARG A 33 8.121 5.724 -0.345 1.00 0.00 C ATOM 83 NH1 ARG A 33 8.877 4.901 0.307 1.00 0.00 N ATOM 84 NH2 ARG A 33 8.500 5.995 -1.550 1.00 0.00 N ATOM 0 H ARG A 33 1.727 6.617 2.976 1.00 0.00 H new ATOM 0 HA ARG A 33 2.113 5.139 0.483 1.00 0.00 H new ATOM 0 HB2 ARG A 33 4.008 5.658 2.793 1.00 0.00 H new ATOM 0 HB3 ARG A 33 4.139 4.112 1.978 1.00 0.00 H new ATOM 0 HG2 ARG A 33 4.706 5.171 -0.111 1.00 0.00 H new ATOM 0 HG3 ARG A 33 4.337 6.761 0.528 1.00 0.00 H new ATOM 0 HD2 ARG A 33 6.261 6.699 2.027 1.00 0.00 H new ATOM 0 HD3 ARG A 33 6.542 5.001 1.699 1.00 0.00 H new ATOM 0 HE ARG A 33 6.701 7.100 -0.444 1.00 0.00 H new ATOM 0 HH11 ARG A 33 8.638 4.637 1.263 1.00 0.00 H new ATOM 0 HH12 ARG A 33 9.712 4.516 -0.135 1.00 0.00 H new ATOM 0 HH21 ARG A 33 7.951 6.633 -2.126 1.00 0.00 H new ATOM 0 HH22 ARG A 33 9.348 5.571 -1.925 1.00 0.00 H new ATOM 98 N LEU A 34 1.338 3.017 1.289 1.00 0.00 N ATOM 99 CA LEU A 34 0.546 1.866 1.669 1.00 0.00 C ATOM 100 C LEU A 34 1.403 0.601 1.693 1.00 0.00 C ATOM 101 O LEU A 34 1.808 0.096 0.650 1.00 0.00 O ATOM 102 CB LEU A 34 -0.698 1.780 0.794 1.00 0.00 C ATOM 103 CG LEU A 34 -1.470 3.096 0.490 1.00 0.00 C ATOM 104 CD1 LEU A 34 -1.643 4.057 1.670 1.00 0.00 C ATOM 105 CD2 LEU A 34 -0.881 3.846 -0.708 1.00 0.00 C ATOM 0 H LEU A 34 1.563 3.056 0.295 1.00 0.00 H new ATOM 0 HA LEU A 34 0.184 1.977 2.691 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -0.406 1.336 -0.158 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -1.393 1.087 1.269 1.00 0.00 H new ATOM 0 HG LEU A 34 -2.473 2.742 0.250 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -2.194 4.939 1.343 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -2.195 3.559 2.467 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -0.663 4.359 2.040 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -1.452 4.758 -0.883 1.00 0.00 H new ATOM 0 HD22 LEU A 34 0.158 4.102 -0.502 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -0.929 3.212 -1.594 1.00 0.00 H new ATOM 117 N PHE A 35 1.681 0.128 2.909 1.00 0.00 N ATOM 118 CA PHE A 35 2.618 -0.935 3.254 1.00 0.00 C ATOM 119 C PHE A 35 1.810 -2.217 3.398 1.00 0.00 C ATOM 120 O PHE A 35 1.173 -2.562 4.390 1.00 0.00 O ATOM 121 CB PHE A 35 3.530 -0.479 4.393 1.00 0.00 C ATOM 122 CG PHE A 35 4.499 -1.476 5.032 1.00 0.00 C ATOM 123 CD1 PHE A 35 4.794 -2.729 4.437 1.00 0.00 C ATOM 124 CD2 PHE A 35 5.211 -1.084 6.178 1.00 0.00 C ATOM 125 CE1 PHE A 35 5.784 -3.564 4.990 1.00 0.00 C ATOM 126 CE2 PHE A 35 6.205 -1.917 6.726 1.00 0.00 C ATOM 127 CZ PHE A 35 6.497 -3.155 6.131 1.00 0.00 C ATOM 0 H PHE A 35 1.222 0.508 3.737 1.00 0.00 H new ATOM 0 HA PHE A 35 3.353 -1.171 2.485 1.00 0.00 H new ATOM 0 HB2 PHE A 35 4.121 0.358 4.022 1.00 0.00 H new ATOM 0 HB3 PHE A 35 2.891 -0.091 5.186 1.00 0.00 H new ATOM 0 HD1 PHE A 35 4.257 -3.045 3.555 1.00 0.00 H new ATOM 0 HD2 PHE A 35 4.994 -0.134 6.643 1.00 0.00 H new ATOM 0 HE1 PHE A 35 5.996 -4.521 4.537 1.00 0.00 H new ATOM 0 HE2 PHE A 35 6.745 -1.603 7.607 1.00 0.00 H new ATOM 0 HZ PHE A 35 7.265 -3.790 6.548 1.00 0.00 H new ATOM 137 N VAL A 36 1.799 -2.888 2.267 1.00 0.00 N ATOM 138 CA VAL A 36 0.861 -3.917 1.872 1.00 0.00 C ATOM 139 C VAL A 36 1.673 -5.181 1.618 1.00 0.00 C ATOM 140 O VAL A 36 2.397 -5.321 0.639 1.00 0.00 O ATOM 141 CB VAL A 36 0.141 -3.232 0.695 1.00 0.00 C ATOM 142 CG1 VAL A 36 -0.664 -4.004 -0.294 1.00 0.00 C ATOM 143 CG2 VAL A 36 -0.870 -2.217 1.271 1.00 0.00 C ATOM 0 H VAL A 36 2.498 -2.716 1.545 1.00 0.00 H new ATOM 0 HA VAL A 36 0.101 -4.264 2.572 1.00 0.00 H new ATOM 0 HB VAL A 36 1.003 -2.870 0.134 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -1.081 -3.322 -1.036 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -0.026 -4.735 -0.791 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -1.475 -4.520 0.220 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -1.392 -1.720 0.454 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -1.592 -2.739 1.898 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -0.340 -1.475 1.868 1.00 0.00 H new ATOM 153 N ARG A 37 1.599 -6.076 2.606 1.00 0.00 N ATOM 154 CA ARG A 37 2.493 -7.234 2.783 1.00 0.00 C ATOM 155 C ARG A 37 1.904 -8.627 3.121 1.00 0.00 C ATOM 156 O ARG A 37 2.687 -9.577 3.086 1.00 0.00 O ATOM 157 CB ARG A 37 3.532 -6.817 3.837 1.00 0.00 C ATOM 158 CG ARG A 37 2.940 -6.469 5.219 1.00 0.00 C ATOM 159 CD ARG A 37 3.972 -6.640 6.339 1.00 0.00 C ATOM 160 NE ARG A 37 3.416 -6.225 7.641 1.00 0.00 N ATOM 161 CZ ARG A 37 3.338 -5.000 8.135 1.00 0.00 C ATOM 162 NH1 ARG A 37 3.784 -3.950 7.518 1.00 0.00 N ATOM 163 NH2 ARG A 37 2.799 -4.758 9.291 1.00 0.00 N ATOM 0 H ARG A 37 0.889 -6.016 3.336 1.00 0.00 H new ATOM 0 HA ARG A 37 2.888 -7.435 1.787 1.00 0.00 H new ATOM 0 HB2 ARG A 37 4.252 -7.626 3.958 1.00 0.00 H new ATOM 0 HB3 ARG A 37 4.082 -5.953 3.464 1.00 0.00 H new ATOM 0 HG2 ARG A 37 2.579 -5.441 5.211 1.00 0.00 H new ATOM 0 HG3 ARG A 37 2.079 -7.108 5.417 1.00 0.00 H new ATOM 0 HD2 ARG A 37 4.288 -7.682 6.390 1.00 0.00 H new ATOM 0 HD3 ARG A 37 4.859 -6.048 6.114 1.00 0.00 H new ATOM 0 HE ARG A 37 3.048 -6.971 8.231 1.00 0.00 H new ATOM 0 HH11 ARG A 37 4.223 -4.045 6.602 1.00 0.00 H new ATOM 0 HH12 ARG A 37 3.696 -3.030 7.949 1.00 0.00 H new ATOM 0 HH21 ARG A 37 2.420 -5.524 9.847 1.00 0.00 H new ATOM 0 HH22 ARG A 37 2.755 -3.802 9.643 1.00 0.00 H new ATOM 177 N PRO A 38 0.606 -8.826 3.449 1.00 0.00 N ATOM 178 CA PRO A 38 0.018 -10.149 3.722 1.00 0.00 C ATOM 179 C PRO A 38 0.276 -11.268 2.716 1.00 0.00 C ATOM 180 O PRO A 38 0.341 -12.440 3.089 1.00 0.00 O ATOM 181 CB PRO A 38 -1.487 -9.888 3.784 1.00 0.00 C ATOM 182 CG PRO A 38 -1.528 -8.542 4.472 1.00 0.00 C ATOM 183 CD PRO A 38 -0.400 -7.813 3.745 1.00 0.00 C ATOM 0 HA PRO A 38 0.488 -10.528 4.629 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -1.940 -9.857 2.793 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -2.014 -10.655 4.351 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -2.489 -8.044 4.348 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -1.346 -8.620 5.544 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -0.764 -7.345 2.830 1.00 0.00 H new ATOM 0 HD3 PRO A 38 0.016 -7.019 4.366 1.00 0.00 H new ATOM 191 N PHE A 39 0.362 -10.905 1.439 1.00 0.00 N ATOM 192 CA PHE A 39 0.413 -11.812 0.295 1.00 0.00 C ATOM 193 C PHE A 39 1.770 -12.506 0.121 1.00 0.00 C ATOM 194 O PHE A 39 2.798 -12.001 0.589 1.00 0.00 O ATOM 195 CB PHE A 39 0.175 -11.026 -1.001 1.00 0.00 C ATOM 196 CG PHE A 39 -0.531 -9.704 -0.853 1.00 0.00 C ATOM 197 CD1 PHE A 39 0.202 -8.568 -0.468 1.00 0.00 C ATOM 198 CD2 PHE A 39 -1.914 -9.616 -1.074 1.00 0.00 C ATOM 199 CE1 PHE A 39 -0.462 -7.355 -0.283 1.00 0.00 C ATOM 200 CE2 PHE A 39 -2.560 -8.376 -0.959 1.00 0.00 C ATOM 201 CZ PHE A 39 -1.837 -7.247 -0.559 1.00 0.00 C ATOM 0 H PHE A 39 0.400 -9.925 1.160 1.00 0.00 H new ATOM 0 HA PHE A 39 -0.353 -12.563 0.488 1.00 0.00 H new ATOM 0 HB2 PHE A 39 1.139 -10.849 -1.477 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -0.405 -11.651 -1.680 1.00 0.00 H new ATOM 0 HD1 PHE A 39 1.269 -8.634 -0.317 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -2.479 -10.500 -1.332 1.00 0.00 H new ATOM 0 HE1 PHE A 39 0.083 -6.494 0.074 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -3.614 -8.293 -1.179 1.00 0.00 H new ATOM 0 HZ PHE A 39 -2.334 -6.293 -0.462 1.00 0.00 H new ATOM 211 N PRO A 40 1.797 -13.620 -0.618 1.00 0.00 N ATOM 212 CA PRO A 40 3.040 -14.184 -1.116 1.00 0.00 C ATOM 213 C PRO A 40 3.532 -13.418 -2.357 1.00 0.00 C ATOM 214 O PRO A 40 2.958 -12.400 -2.753 1.00 0.00 O ATOM 215 CB PRO A 40 2.699 -15.654 -1.397 1.00 0.00 C ATOM 216 CG PRO A 40 1.235 -15.582 -1.844 1.00 0.00 C ATOM 217 CD PRO A 40 0.665 -14.467 -0.971 1.00 0.00 C ATOM 0 HA PRO A 40 3.867 -14.106 -0.410 1.00 0.00 H new ATOM 0 HB2 PRO A 40 3.338 -16.077 -2.172 1.00 0.00 H new ATOM 0 HB3 PRO A 40 2.821 -16.275 -0.509 1.00 0.00 H new ATOM 0 HG2 PRO A 40 1.148 -15.349 -2.905 1.00 0.00 H new ATOM 0 HG3 PRO A 40 0.716 -16.527 -1.682 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -0.095 -13.900 -1.508 1.00 0.00 H new ATOM 0 HD3 PRO A 40 0.188 -14.874 -0.079 1.00 0.00 H new ATOM 225 N LEU A 41 4.592 -13.915 -3.005 1.00 0.00 N ATOM 226 CA LEU A 41 5.195 -13.334 -4.222 1.00 0.00 C ATOM 227 C LEU A 41 4.214 -13.164 -5.410 1.00 0.00 C ATOM 228 O LEU A 41 4.525 -12.474 -6.383 1.00 0.00 O ATOM 229 CB LEU A 41 6.418 -14.179 -4.637 1.00 0.00 C ATOM 230 CG LEU A 41 7.726 -13.906 -3.874 1.00 0.00 C ATOM 231 CD1 LEU A 41 7.640 -14.093 -2.358 1.00 0.00 C ATOM 232 CD2 LEU A 41 8.831 -14.827 -4.394 1.00 0.00 C ATOM 0 H LEU A 41 5.072 -14.758 -2.692 1.00 0.00 H new ATOM 0 HA LEU A 41 5.499 -12.319 -3.964 1.00 0.00 H new ATOM 0 HB2 LEU A 41 6.164 -15.232 -4.514 1.00 0.00 H new ATOM 0 HB3 LEU A 41 6.601 -14.017 -5.699 1.00 0.00 H new ATOM 0 HG LEU A 41 7.941 -12.853 -4.055 1.00 0.00 H new ATOM 0 HD11 LEU A 41 8.610 -13.878 -1.909 1.00 0.00 H new ATOM 0 HD12 LEU A 41 6.892 -13.413 -1.949 1.00 0.00 H new ATOM 0 HD13 LEU A 41 7.356 -15.121 -2.134 1.00 0.00 H new ATOM 0 HD21 LEU A 41 9.755 -14.630 -3.850 1.00 0.00 H new ATOM 0 HD22 LEU A 41 8.538 -15.866 -4.246 1.00 0.00 H new ATOM 0 HD23 LEU A 41 8.989 -14.642 -5.457 1.00 0.00 H new ATOM 244 N ASP A 42 3.035 -13.784 -5.348 1.00 0.00 N ATOM 245 CA ASP A 42 1.953 -13.711 -6.335 1.00 0.00 C ATOM 246 C ASP A 42 1.247 -12.337 -6.448 1.00 0.00 C ATOM 247 O ASP A 42 0.469 -12.152 -7.382 1.00 0.00 O ATOM 248 CB ASP A 42 0.921 -14.807 -6.018 1.00 0.00 C ATOM 249 CG ASP A 42 1.515 -16.227 -6.078 1.00 0.00 C ATOM 250 OD1 ASP A 42 2.140 -16.671 -5.088 1.00 0.00 O ATOM 251 OD2 ASP A 42 1.347 -16.912 -7.120 1.00 0.00 O ATOM 0 H ASP A 42 2.794 -14.387 -4.561 1.00 0.00 H new ATOM 0 HA ASP A 42 2.422 -13.862 -7.307 1.00 0.00 H new ATOM 0 HB2 ASP A 42 0.508 -14.633 -5.024 1.00 0.00 H new ATOM 0 HB3 ASP A 42 0.094 -14.735 -6.724 1.00 0.00 H new ATOM 256 N VAL A 43 1.489 -11.373 -5.543 1.00 0.00 N ATOM 257 CA VAL A 43 0.983 -9.982 -5.667 1.00 0.00 C ATOM 258 C VAL A 43 1.875 -9.118 -6.569 1.00 0.00 C ATOM 259 O VAL A 43 3.094 -9.295 -6.605 1.00 0.00 O ATOM 260 CB VAL A 43 0.825 -9.315 -4.278 1.00 0.00 C ATOM 261 CG1 VAL A 43 2.158 -8.964 -3.603 1.00 0.00 C ATOM 262 CG2 VAL A 43 -0.047 -8.047 -4.327 1.00 0.00 C ATOM 0 H VAL A 43 2.042 -11.530 -4.700 1.00 0.00 H new ATOM 0 HA VAL A 43 0.002 -10.050 -6.137 1.00 0.00 H new ATOM 0 HB VAL A 43 0.329 -10.078 -3.678 1.00 0.00 H new ATOM 0 HG11 VAL A 43 1.965 -8.501 -2.635 1.00 0.00 H new ATOM 0 HG12 VAL A 43 2.744 -9.872 -3.460 1.00 0.00 H new ATOM 0 HG13 VAL A 43 2.713 -8.269 -4.233 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -0.125 -7.620 -3.327 1.00 0.00 H new ATOM 0 HG22 VAL A 43 0.408 -7.319 -4.998 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -1.042 -8.304 -4.690 1.00 0.00 H new ATOM 272 N GLN A 44 1.274 -8.147 -7.265 1.00 0.00 N ATOM 273 CA GLN A 44 1.966 -7.068 -7.994 1.00 0.00 C ATOM 274 C GLN A 44 0.977 -5.944 -8.370 1.00 0.00 C ATOM 275 O GLN A 44 -0.152 -5.893 -7.876 1.00 0.00 O ATOM 276 CB GLN A 44 2.823 -7.573 -9.192 1.00 0.00 C ATOM 277 CG GLN A 44 2.123 -8.414 -10.266 1.00 0.00 C ATOM 278 CD GLN A 44 2.177 -9.913 -9.962 1.00 0.00 C ATOM 279 OE1 GLN A 44 3.218 -10.557 -10.009 1.00 0.00 O ATOM 280 NE2 GLN A 44 1.062 -10.527 -9.654 1.00 0.00 N ATOM 0 H GLN A 44 0.259 -8.085 -7.342 1.00 0.00 H new ATOM 0 HA GLN A 44 2.701 -6.638 -7.313 1.00 0.00 H new ATOM 0 HB2 GLN A 44 3.261 -6.703 -9.681 1.00 0.00 H new ATOM 0 HB3 GLN A 44 3.647 -8.162 -8.790 1.00 0.00 H new ATOM 0 HG2 GLN A 44 1.082 -8.100 -10.348 1.00 0.00 H new ATOM 0 HG3 GLN A 44 2.590 -8.225 -11.233 1.00 0.00 H new ATOM 0 HE21 GLN A 44 0.187 -10.004 -9.611 1.00 0.00 H new ATOM 0 HE22 GLN A 44 1.068 -11.528 -9.457 1.00 0.00 H new ATOM 289 N GLU A 45 1.394 -5.004 -9.221 1.00 0.00 N ATOM 290 CA GLU A 45 0.608 -3.819 -9.597 1.00 0.00 C ATOM 291 C GLU A 45 -0.788 -4.110 -10.173 1.00 0.00 C ATOM 292 O GLU A 45 -1.640 -3.236 -10.089 1.00 0.00 O ATOM 293 CB GLU A 45 1.426 -2.889 -10.514 1.00 0.00 C ATOM 294 CG GLU A 45 1.777 -3.512 -11.865 1.00 0.00 C ATOM 295 CD GLU A 45 2.562 -2.524 -12.755 1.00 0.00 C ATOM 296 OE1 GLU A 45 1.930 -1.700 -13.457 1.00 0.00 O ATOM 297 OE2 GLU A 45 3.816 -2.574 -12.762 1.00 0.00 O ATOM 0 H GLU A 45 2.305 -5.043 -9.679 1.00 0.00 H new ATOM 0 HA GLU A 45 0.401 -3.305 -8.659 1.00 0.00 H new ATOM 0 HB2 GLU A 45 0.862 -1.972 -10.682 1.00 0.00 H new ATOM 0 HB3 GLU A 45 2.347 -2.608 -10.003 1.00 0.00 H new ATOM 0 HG2 GLU A 45 2.370 -4.413 -11.709 1.00 0.00 H new ATOM 0 HG3 GLU A 45 0.863 -3.816 -12.375 1.00 0.00 H new ATOM 304 N SER A 46 -1.069 -5.311 -10.694 1.00 0.00 N ATOM 305 CA SER A 46 -2.414 -5.751 -11.123 1.00 0.00 C ATOM 306 C SER A 46 -3.371 -6.021 -9.938 1.00 0.00 C ATOM 307 O SER A 46 -4.571 -5.730 -9.992 1.00 0.00 O ATOM 308 CB SER A 46 -2.250 -7.009 -11.995 1.00 0.00 C ATOM 309 OG SER A 46 -3.439 -7.768 -12.141 1.00 0.00 O ATOM 0 H SER A 46 -0.354 -6.025 -10.835 1.00 0.00 H new ATOM 0 HA SER A 46 -2.876 -4.944 -11.692 1.00 0.00 H new ATOM 0 HB2 SER A 46 -1.898 -6.711 -12.982 1.00 0.00 H new ATOM 0 HB3 SER A 46 -1.478 -7.643 -11.559 1.00 0.00 H new ATOM 0 HG SER A 46 -3.462 -8.474 -11.461 1.00 0.00 H new ATOM 315 N GLU A 47 -2.844 -6.518 -8.822 1.00 0.00 N ATOM 316 CA GLU A 47 -3.588 -6.941 -7.641 1.00 0.00 C ATOM 317 C GLU A 47 -3.810 -5.713 -6.762 1.00 0.00 C ATOM 318 O GLU A 47 -4.897 -5.466 -6.240 1.00 0.00 O ATOM 319 CB GLU A 47 -2.721 -7.997 -6.951 1.00 0.00 C ATOM 320 CG GLU A 47 -2.842 -9.386 -7.596 1.00 0.00 C ATOM 321 CD GLU A 47 -2.349 -9.408 -9.049 1.00 0.00 C ATOM 322 OE1 GLU A 47 -1.188 -9.005 -9.291 1.00 0.00 O ATOM 323 OE2 GLU A 47 -3.119 -9.804 -9.963 1.00 0.00 O ATOM 0 H GLU A 47 -1.838 -6.642 -8.712 1.00 0.00 H new ATOM 0 HA GLU A 47 -4.566 -7.366 -7.869 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -1.679 -7.679 -6.979 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -3.006 -8.064 -5.901 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -2.269 -10.105 -7.011 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -3.883 -9.707 -7.565 1.00 0.00 H new ATOM 330 N LEU A 48 -2.781 -4.869 -6.711 1.00 0.00 N ATOM 331 CA LEU A 48 -2.884 -3.528 -6.188 1.00 0.00 C ATOM 332 C LEU A 48 -3.852 -2.716 -7.066 1.00 0.00 C ATOM 333 O LEU A 48 -4.672 -1.976 -6.552 1.00 0.00 O ATOM 334 CB LEU A 48 -1.475 -2.942 -6.174 1.00 0.00 C ATOM 335 CG LEU A 48 -0.459 -3.732 -5.329 1.00 0.00 C ATOM 336 CD1 LEU A 48 0.947 -3.281 -5.639 1.00 0.00 C ATOM 337 CD2 LEU A 48 -0.607 -3.485 -3.856 1.00 0.00 C ATOM 0 H LEU A 48 -1.845 -5.110 -7.038 1.00 0.00 H new ATOM 0 HA LEU A 48 -3.285 -3.509 -5.175 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -1.109 -2.886 -7.199 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -1.525 -1.920 -5.797 1.00 0.00 H new ATOM 0 HG LEU A 48 -0.645 -4.778 -5.572 1.00 0.00 H new ATOM 0 HD11 LEU A 48 1.653 -3.849 -5.033 1.00 0.00 H new ATOM 0 HD12 LEU A 48 1.158 -3.448 -6.695 1.00 0.00 H new ATOM 0 HD13 LEU A 48 1.047 -2.219 -5.413 1.00 0.00 H new ATOM 0 HD21 LEU A 48 0.136 -4.069 -3.313 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -0.459 -2.425 -3.648 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -1.606 -3.781 -3.536 1.00 0.00 H new ATOM 349 N ASN A 49 -3.863 -2.905 -8.391 1.00 0.00 N ATOM 350 CA ASN A 49 -4.897 -2.283 -9.256 1.00 0.00 C ATOM 351 C ASN A 49 -6.329 -2.677 -8.845 1.00 0.00 C ATOM 352 O ASN A 49 -7.200 -1.812 -8.749 1.00 0.00 O ATOM 353 CB ASN A 49 -4.667 -2.561 -10.751 1.00 0.00 C ATOM 354 CG ASN A 49 -4.151 -1.344 -11.495 1.00 0.00 C ATOM 355 OD1 ASN A 49 -4.903 -0.559 -12.054 1.00 0.00 O ATOM 356 ND2 ASN A 49 -2.855 -1.159 -11.527 1.00 0.00 N ATOM 0 H ASN A 49 -3.181 -3.475 -8.891 1.00 0.00 H new ATOM 0 HA ASN A 49 -4.792 -1.209 -9.102 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -3.954 -3.379 -10.860 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -5.602 -2.891 -11.204 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -2.467 -0.355 -12.021 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -2.234 -1.818 -11.058 1.00 0.00 H new ATOM 363 N GLU A 50 -6.570 -3.957 -8.560 1.00 0.00 N ATOM 364 CA GLU A 50 -7.861 -4.434 -8.034 1.00 0.00 C ATOM 365 C GLU A 50 -8.247 -3.813 -6.679 1.00 0.00 C ATOM 366 O GLU A 50 -9.409 -3.458 -6.467 1.00 0.00 O ATOM 367 CB GLU A 50 -7.817 -5.963 -7.912 1.00 0.00 C ATOM 368 CG GLU A 50 -8.192 -6.689 -9.206 1.00 0.00 C ATOM 369 CD GLU A 50 -9.699 -6.589 -9.518 1.00 0.00 C ATOM 370 OE1 GLU A 50 -10.494 -7.385 -8.957 1.00 0.00 O ATOM 371 OE2 GLU A 50 -10.103 -5.723 -10.336 1.00 0.00 O ATOM 0 H GLU A 50 -5.879 -4.697 -8.685 1.00 0.00 H new ATOM 0 HA GLU A 50 -8.628 -4.118 -8.741 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -6.814 -6.267 -7.612 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -8.496 -6.276 -7.119 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -7.623 -6.267 -10.035 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -7.909 -7.739 -9.126 1.00 0.00 H new ATOM 378 N ILE A 51 -7.286 -3.672 -5.757 1.00 0.00 N ATOM 379 CA ILE A 51 -7.523 -3.207 -4.378 1.00 0.00 C ATOM 380 C ILE A 51 -7.579 -1.671 -4.264 1.00 0.00 C ATOM 381 O ILE A 51 -8.371 -1.151 -3.473 1.00 0.00 O ATOM 382 CB ILE A 51 -6.404 -3.781 -3.486 1.00 0.00 C ATOM 383 CG1 ILE A 51 -6.527 -5.316 -3.344 1.00 0.00 C ATOM 384 CG2 ILE A 51 -6.348 -3.119 -2.094 1.00 0.00 C ATOM 385 CD1 ILE A 51 -5.248 -5.984 -2.816 1.00 0.00 C ATOM 0 H ILE A 51 -6.306 -3.880 -5.948 1.00 0.00 H new ATOM 0 HA ILE A 51 -8.501 -3.562 -4.053 1.00 0.00 H new ATOM 0 HB ILE A 51 -5.467 -3.548 -3.992 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -7.353 -5.546 -2.671 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -6.778 -5.744 -4.314 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -5.541 -3.564 -1.512 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -6.167 -2.050 -2.207 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -7.296 -3.275 -1.579 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -5.404 -7.060 -2.741 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -4.424 -5.784 -3.501 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -5.008 -5.583 -1.832 1.00 0.00 H new ATOM 397 N PHE A 52 -6.746 -0.950 -5.017 1.00 0.00 N ATOM 398 CA PHE A 52 -6.499 0.498 -4.898 1.00 0.00 C ATOM 399 C PHE A 52 -7.227 1.331 -5.962 1.00 0.00 C ATOM 400 O PHE A 52 -7.439 2.532 -5.782 1.00 0.00 O ATOM 401 CB PHE A 52 -5.012 0.802 -4.984 1.00 0.00 C ATOM 402 CG PHE A 52 -4.196 0.326 -3.811 1.00 0.00 C ATOM 403 CD1 PHE A 52 -3.942 -1.042 -3.632 1.00 0.00 C ATOM 404 CD2 PHE A 52 -3.617 1.260 -2.942 1.00 0.00 C ATOM 405 CE1 PHE A 52 -3.038 -1.482 -2.663 1.00 0.00 C ATOM 406 CE2 PHE A 52 -2.657 0.822 -2.026 1.00 0.00 C ATOM 407 CZ PHE A 52 -2.328 -0.535 -1.925 1.00 0.00 C ATOM 0 H PHE A 52 -6.196 -1.375 -5.764 1.00 0.00 H new ATOM 0 HA PHE A 52 -6.894 0.780 -3.922 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -4.615 0.347 -5.892 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -4.882 1.880 -5.084 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -4.452 -1.764 -4.252 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -3.907 2.300 -2.979 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -2.891 -2.538 -2.488 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -2.163 1.539 -1.388 1.00 0.00 H new ATOM 0 HZ PHE A 52 -1.524 -0.849 -1.275 1.00 0.00 H new ATOM 417 N GLY A 53 -7.650 0.692 -7.058 1.00 0.00 N ATOM 418 CA GLY A 53 -8.552 1.261 -8.063 1.00 0.00 C ATOM 419 C GLY A 53 -9.803 1.971 -7.508 1.00 0.00 C ATOM 420 O GLY A 53 -10.190 2.987 -8.089 1.00 0.00 O ATOM 0 H GLY A 53 -7.366 -0.263 -7.276 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -7.990 1.973 -8.668 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -8.875 0.461 -8.729 1.00 0.00 H new ATOM 424 N PRO A 54 -10.429 1.533 -6.387 1.00 0.00 N ATOM 425 CA PRO A 54 -11.534 2.270 -5.763 1.00 0.00 C ATOM 426 C PRO A 54 -11.150 3.665 -5.226 1.00 0.00 C ATOM 427 O PRO A 54 -12.021 4.529 -5.103 1.00 0.00 O ATOM 428 CB PRO A 54 -12.041 1.379 -4.613 1.00 0.00 C ATOM 429 CG PRO A 54 -11.511 -0.013 -4.956 1.00 0.00 C ATOM 430 CD PRO A 54 -10.176 0.329 -5.599 1.00 0.00 C ATOM 0 HA PRO A 54 -12.294 2.470 -6.519 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -11.666 1.722 -3.649 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -13.129 1.387 -4.553 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -11.393 -0.638 -4.071 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -12.171 -0.548 -5.638 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -9.409 0.506 -4.845 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -9.822 -0.487 -6.229 1.00 0.00 H new ATOM 438 N PHE A 55 -9.873 3.902 -4.896 1.00 0.00 N ATOM 439 CA PHE A 55 -9.416 5.136 -4.234 1.00 0.00 C ATOM 440 C PHE A 55 -9.077 6.216 -5.259 1.00 0.00 C ATOM 441 O PHE A 55 -9.483 7.373 -5.114 1.00 0.00 O ATOM 442 CB PHE A 55 -8.144 4.888 -3.411 1.00 0.00 C ATOM 443 CG PHE A 55 -8.067 3.622 -2.594 1.00 0.00 C ATOM 444 CD1 PHE A 55 -9.231 2.980 -2.145 1.00 0.00 C ATOM 445 CD2 PHE A 55 -6.808 3.041 -2.375 1.00 0.00 C ATOM 446 CE1 PHE A 55 -9.147 1.726 -1.536 1.00 0.00 C ATOM 447 CE2 PHE A 55 -6.717 1.836 -1.652 1.00 0.00 C ATOM 448 CZ PHE A 55 -7.892 1.167 -1.263 1.00 0.00 C ATOM 0 H PHE A 55 -9.121 3.239 -5.082 1.00 0.00 H new ATOM 0 HA PHE A 55 -10.233 5.458 -3.589 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -7.296 4.896 -4.096 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -8.015 5.732 -2.733 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -10.192 3.456 -2.270 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -5.916 3.514 -2.758 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -10.047 1.189 -1.276 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -5.750 1.427 -1.397 1.00 0.00 H new ATOM 0 HZ PHE A 55 -7.826 0.218 -0.752 1.00 0.00 H new ATOM 458 N GLY A 56 -8.308 5.813 -6.274 1.00 0.00 N ATOM 459 CA GLY A 56 -8.044 6.590 -7.476 1.00 0.00 C ATOM 460 C GLY A 56 -6.567 6.883 -7.789 1.00 0.00 C ATOM 461 O GLY A 56 -6.012 6.255 -8.700 1.00 0.00 O ATOM 0 H GLY A 56 -7.839 4.907 -6.276 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -8.475 6.062 -8.326 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -8.571 7.541 -7.391 1.00 0.00 H new ATOM 465 N PRO A 57 -5.908 7.813 -7.069 1.00 0.00 N ATOM 466 CA PRO A 57 -4.607 8.381 -7.445 1.00 0.00 C ATOM 467 C PRO A 57 -3.360 7.544 -7.086 1.00 0.00 C ATOM 468 O PRO A 57 -2.324 8.134 -6.778 1.00 0.00 O ATOM 469 CB PRO A 57 -4.613 9.777 -6.803 1.00 0.00 C ATOM 470 CG PRO A 57 -5.358 9.524 -5.497 1.00 0.00 C ATOM 471 CD PRO A 57 -6.452 8.552 -5.940 1.00 0.00 C ATOM 0 HA PRO A 57 -4.508 8.405 -8.530 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -3.604 10.151 -6.631 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -5.123 10.511 -7.428 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -4.710 9.090 -4.735 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -5.772 10.442 -5.079 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -6.725 7.877 -5.129 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -7.357 9.089 -6.226 1.00 0.00 H new ATOM 479 N MET A 58 -3.419 6.201 -7.111 1.00 0.00 N ATOM 480 CA MET A 58 -2.234 5.309 -7.026 1.00 0.00 C ATOM 481 C MET A 58 -1.103 5.819 -7.940 1.00 0.00 C ATOM 482 O MET A 58 -1.171 5.750 -9.165 1.00 0.00 O ATOM 483 CB MET A 58 -2.578 3.850 -7.321 1.00 0.00 C ATOM 484 CG MET A 58 -3.476 3.634 -8.552 1.00 0.00 C ATOM 485 SD MET A 58 -3.115 2.106 -9.455 1.00 0.00 S ATOM 486 CE MET A 58 -3.435 0.918 -8.130 1.00 0.00 C ATOM 0 H MET A 58 -4.299 5.692 -7.192 1.00 0.00 H new ATOM 0 HA MET A 58 -1.881 5.338 -5.995 1.00 0.00 H new ATOM 0 HB2 MET A 58 -1.651 3.295 -7.463 1.00 0.00 H new ATOM 0 HB3 MET A 58 -3.074 3.425 -6.448 1.00 0.00 H new ATOM 0 HG2 MET A 58 -4.518 3.620 -8.233 1.00 0.00 H new ATOM 0 HG3 MET A 58 -3.361 4.481 -9.228 1.00 0.00 H new ATOM 0 HE1 MET A 58 -3.017 -0.051 -8.402 1.00 0.00 H new ATOM 0 HE2 MET A 58 -2.971 1.268 -7.208 1.00 0.00 H new ATOM 0 HE3 MET A 58 -4.510 0.821 -7.980 1.00 0.00 H new ATOM 496 N LYS A 59 -0.077 6.379 -7.297 1.00 0.00 N ATOM 497 CA LYS A 59 0.984 7.169 -7.922 1.00 0.00 C ATOM 498 C LYS A 59 2.295 6.410 -8.068 1.00 0.00 C ATOM 499 O LYS A 59 2.935 6.450 -9.114 1.00 0.00 O ATOM 500 CB LYS A 59 1.187 8.378 -7.012 1.00 0.00 C ATOM 501 CG LYS A 59 1.987 9.440 -7.725 1.00 0.00 C ATOM 502 CD LYS A 59 2.414 10.559 -6.809 1.00 0.00 C ATOM 503 CE LYS A 59 3.363 10.197 -5.661 1.00 0.00 C ATOM 504 NZ LYS A 59 4.707 9.804 -6.162 1.00 0.00 N ATOM 0 H LYS A 59 0.042 6.291 -6.288 1.00 0.00 H new ATOM 0 HA LYS A 59 0.690 7.439 -8.936 1.00 0.00 H new ATOM 0 HB2 LYS A 59 0.220 8.782 -6.711 1.00 0.00 H new ATOM 0 HB3 LYS A 59 1.703 8.074 -6.101 1.00 0.00 H new ATOM 0 HG2 LYS A 59 2.871 8.985 -8.172 1.00 0.00 H new ATOM 0 HG3 LYS A 59 1.392 9.851 -8.541 1.00 0.00 H new ATOM 0 HD2 LYS A 59 2.894 11.328 -7.415 1.00 0.00 H new ATOM 0 HD3 LYS A 59 1.517 11.005 -6.379 1.00 0.00 H new ATOM 0 HE2 LYS A 59 3.460 11.048 -4.987 1.00 0.00 H new ATOM 0 HE3 LYS A 59 2.937 9.378 -5.081 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 5.149 9.145 -5.490 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 4.611 9.341 -7.088 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 5.303 10.651 -6.258 1.00 0.00 H new ATOM 518 N GLU A 60 2.668 5.704 -7.006 1.00 0.00 N ATOM 519 CA GLU A 60 3.785 4.753 -7.015 1.00 0.00 C ATOM 520 C GLU A 60 3.355 3.436 -6.406 1.00 0.00 C ATOM 521 O GLU A 60 2.345 3.352 -5.709 1.00 0.00 O ATOM 522 CB GLU A 60 5.069 5.357 -6.409 1.00 0.00 C ATOM 523 CG GLU A 60 6.252 5.390 -7.392 1.00 0.00 C ATOM 524 CD GLU A 60 7.111 4.116 -7.364 1.00 0.00 C ATOM 525 OE1 GLU A 60 6.626 3.065 -7.837 1.00 0.00 O ATOM 526 OE2 GLU A 60 8.269 4.168 -6.871 1.00 0.00 O ATOM 0 H GLU A 60 2.201 5.773 -6.102 1.00 0.00 H new ATOM 0 HA GLU A 60 4.060 4.535 -8.047 1.00 0.00 H new ATOM 0 HB2 GLU A 60 4.859 6.372 -6.070 1.00 0.00 H new ATOM 0 HB3 GLU A 60 5.353 4.779 -5.529 1.00 0.00 H new ATOM 0 HG2 GLU A 60 5.870 5.539 -8.402 1.00 0.00 H new ATOM 0 HG3 GLU A 60 6.882 6.248 -7.160 1.00 0.00 H new ATOM 533 N VAL A 61 4.084 2.392 -6.779 1.00 0.00 N ATOM 534 CA VAL A 61 3.672 1.002 -6.589 1.00 0.00 C ATOM 535 C VAL A 61 4.917 0.114 -6.514 1.00 0.00 C ATOM 536 O VAL A 61 5.211 -0.684 -7.406 1.00 0.00 O ATOM 537 CB VAL A 61 2.728 0.578 -7.761 1.00 0.00 C ATOM 538 CG1 VAL A 61 1.926 -0.663 -7.396 1.00 0.00 C ATOM 539 CG2 VAL A 61 1.682 1.597 -8.256 1.00 0.00 C ATOM 0 H VAL A 61 4.994 2.486 -7.230 1.00 0.00 H new ATOM 0 HA VAL A 61 3.120 0.890 -5.656 1.00 0.00 H new ATOM 0 HB VAL A 61 3.451 0.438 -8.564 1.00 0.00 H new ATOM 0 HG11 VAL A 61 1.278 -0.935 -8.229 1.00 0.00 H new ATOM 0 HG12 VAL A 61 2.607 -1.486 -7.182 1.00 0.00 H new ATOM 0 HG13 VAL A 61 1.318 -0.457 -6.515 1.00 0.00 H new ATOM 0 HG21 VAL A 61 1.104 1.159 -9.070 1.00 0.00 H new ATOM 0 HG22 VAL A 61 1.013 1.859 -7.436 1.00 0.00 H new ATOM 0 HG23 VAL A 61 2.188 2.494 -8.612 1.00 0.00 H new ATOM 549 N LYS A 62 5.710 0.310 -5.458 1.00 0.00 N ATOM 550 CA LYS A 62 6.995 -0.374 -5.266 1.00 0.00 C ATOM 551 C LYS A 62 6.743 -1.837 -4.902 1.00 0.00 C ATOM 552 O LYS A 62 6.256 -2.096 -3.806 1.00 0.00 O ATOM 553 CB LYS A 62 7.806 0.345 -4.173 1.00 0.00 C ATOM 554 CG LYS A 62 7.895 1.862 -4.406 1.00 0.00 C ATOM 555 CD LYS A 62 8.943 2.526 -3.506 1.00 0.00 C ATOM 556 CE LYS A 62 10.325 2.490 -4.171 1.00 0.00 C ATOM 557 NZ LYS A 62 10.491 3.615 -5.127 1.00 0.00 N ATOM 0 H LYS A 62 5.477 0.955 -4.703 1.00 0.00 H new ATOM 0 HA LYS A 62 7.574 -0.347 -6.189 1.00 0.00 H new ATOM 0 HB2 LYS A 62 7.348 0.156 -3.202 1.00 0.00 H new ATOM 0 HB3 LYS A 62 8.812 -0.073 -4.137 1.00 0.00 H new ATOM 0 HG2 LYS A 62 8.142 2.054 -5.450 1.00 0.00 H new ATOM 0 HG3 LYS A 62 6.921 2.314 -4.221 1.00 0.00 H new ATOM 0 HD2 LYS A 62 8.657 3.558 -3.305 1.00 0.00 H new ATOM 0 HD3 LYS A 62 8.982 2.014 -2.545 1.00 0.00 H new ATOM 0 HE2 LYS A 62 11.101 2.541 -3.407 1.00 0.00 H new ATOM 0 HE3 LYS A 62 10.455 1.543 -4.694 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 11.310 3.431 -5.741 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 9.635 3.704 -5.710 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 10.645 4.498 -4.600 1.00 0.00 H new ATOM 571 N ILE A 63 7.048 -2.781 -5.795 1.00 0.00 N ATOM 572 CA ILE A 63 6.801 -4.223 -5.596 1.00 0.00 C ATOM 573 C ILE A 63 8.126 -4.940 -5.331 1.00 0.00 C ATOM 574 O ILE A 63 9.060 -4.853 -6.135 1.00 0.00 O ATOM 575 CB ILE A 63 6.137 -4.922 -6.812 1.00 0.00 C ATOM 576 CG1 ILE A 63 5.051 -4.151 -7.582 1.00 0.00 C ATOM 577 CG2 ILE A 63 5.606 -6.305 -6.383 1.00 0.00 C ATOM 578 CD1 ILE A 63 3.765 -3.834 -6.828 1.00 0.00 C ATOM 0 H ILE A 63 7.481 -2.568 -6.694 1.00 0.00 H new ATOM 0 HA ILE A 63 6.115 -4.288 -4.752 1.00 0.00 H new ATOM 0 HB ILE A 63 6.945 -4.993 -7.540 1.00 0.00 H new ATOM 0 HG12 ILE A 63 5.482 -3.211 -7.927 1.00 0.00 H new ATOM 0 HG13 ILE A 63 4.791 -4.727 -8.470 1.00 0.00 H new ATOM 0 HG21 ILE A 63 5.139 -6.796 -7.237 1.00 0.00 H new ATOM 0 HG22 ILE A 63 6.433 -6.916 -6.020 1.00 0.00 H new ATOM 0 HG23 ILE A 63 4.870 -6.182 -5.589 1.00 0.00 H new ATOM 0 HD11 ILE A 63 3.084 -3.289 -7.482 1.00 0.00 H new ATOM 0 HD12 ILE A 63 3.294 -4.763 -6.506 1.00 0.00 H new ATOM 0 HD13 ILE A 63 3.996 -3.223 -5.955 1.00 0.00 H new ATOM 590 N LEU A 64 8.212 -5.650 -4.205 1.00 0.00 N ATOM 591 CA LEU A 64 9.408 -6.347 -3.760 1.00 0.00 C ATOM 592 C LEU A 64 9.058 -7.760 -3.301 1.00 0.00 C ATOM 593 O LEU A 64 8.685 -7.970 -2.155 1.00 0.00 O ATOM 594 CB LEU A 64 10.062 -5.600 -2.602 1.00 0.00 C ATOM 595 CG LEU A 64 10.575 -4.184 -2.884 1.00 0.00 C ATOM 596 CD1 LEU A 64 9.518 -3.098 -3.090 1.00 0.00 C ATOM 597 CD2 LEU A 64 11.415 -3.855 -1.668 1.00 0.00 C ATOM 0 H LEU A 64 7.426 -5.756 -3.563 1.00 0.00 H new ATOM 0 HA LEU A 64 10.102 -6.395 -4.599 1.00 0.00 H new ATOM 0 HB2 LEU A 64 9.341 -5.542 -1.787 1.00 0.00 H new ATOM 0 HB3 LEU A 64 10.900 -6.198 -2.244 1.00 0.00 H new ATOM 0 HG LEU A 64 11.102 -4.188 -3.838 1.00 0.00 H new ATOM 0 HD11 LEU A 64 10.009 -2.144 -3.281 1.00 0.00 H new ATOM 0 HD12 LEU A 64 8.889 -3.359 -3.941 1.00 0.00 H new ATOM 0 HD13 LEU A 64 8.901 -3.016 -2.195 1.00 0.00 H new ATOM 0 HD21 LEU A 64 11.831 -2.853 -1.773 1.00 0.00 H new ATOM 0 HD22 LEU A 64 10.793 -3.897 -0.774 1.00 0.00 H new ATOM 0 HD23 LEU A 64 12.227 -4.577 -1.580 1.00 0.00 H new ATOM 609 N ASN A 65 9.202 -8.742 -4.187 1.00 0.00 N ATOM 610 CA ASN A 65 8.843 -10.138 -3.913 1.00 0.00 C ATOM 611 C ASN A 65 7.378 -10.237 -3.411 1.00 0.00 C ATOM 612 O ASN A 65 6.448 -10.070 -4.198 1.00 0.00 O ATOM 613 CB ASN A 65 9.912 -10.780 -2.986 1.00 0.00 C ATOM 614 CG ASN A 65 11.338 -10.364 -3.314 1.00 0.00 C ATOM 615 OD1 ASN A 65 11.958 -10.842 -4.254 1.00 0.00 O ATOM 616 ND2 ASN A 65 11.887 -9.439 -2.556 1.00 0.00 N ATOM 0 H ASN A 65 9.574 -8.594 -5.125 1.00 0.00 H new ATOM 0 HA ASN A 65 8.857 -10.730 -4.828 1.00 0.00 H new ATOM 0 HB2 ASN A 65 9.693 -10.510 -1.953 1.00 0.00 H new ATOM 0 HB3 ASN A 65 9.835 -11.865 -3.055 1.00 0.00 H new ATOM 0 HD21 ASN A 65 12.835 -9.116 -2.751 1.00 0.00 H new ATOM 0 HD22 ASN A 65 11.365 -9.044 -1.774 1.00 0.00 H new ATOM 623 N GLY A 66 7.169 -10.447 -2.108 1.00 0.00 N ATOM 624 CA GLY A 66 5.866 -10.480 -1.426 1.00 0.00 C ATOM 625 C GLY A 66 5.298 -9.121 -0.981 1.00 0.00 C ATOM 626 O GLY A 66 4.154 -9.068 -0.532 1.00 0.00 O ATOM 0 H GLY A 66 7.943 -10.607 -1.464 1.00 0.00 H new ATOM 0 HA2 GLY A 66 5.143 -10.952 -2.091 1.00 0.00 H new ATOM 0 HA3 GLY A 66 5.955 -11.118 -0.547 1.00 0.00 H new ATOM 630 N PHE A 67 6.057 -8.024 -1.098 1.00 0.00 N ATOM 631 CA PHE A 67 5.711 -6.726 -0.513 1.00 0.00 C ATOM 632 C PHE A 67 5.324 -5.688 -1.571 1.00 0.00 C ATOM 633 O PHE A 67 5.766 -5.730 -2.717 1.00 0.00 O ATOM 634 CB PHE A 67 6.914 -6.225 0.304 1.00 0.00 C ATOM 635 CG PHE A 67 7.456 -7.275 1.251 1.00 0.00 C ATOM 636 CD1 PHE A 67 6.662 -7.662 2.333 1.00 0.00 C ATOM 637 CD2 PHE A 67 8.661 -7.954 0.990 1.00 0.00 C ATOM 638 CE1 PHE A 67 7.034 -8.740 3.156 1.00 0.00 C ATOM 639 CE2 PHE A 67 9.022 -9.060 1.781 1.00 0.00 C ATOM 640 CZ PHE A 67 8.212 -9.452 2.867 1.00 0.00 C ATOM 0 H PHE A 67 6.940 -8.015 -1.609 1.00 0.00 H new ATOM 0 HA PHE A 67 4.837 -6.860 0.125 1.00 0.00 H new ATOM 0 HB2 PHE A 67 7.706 -5.913 -0.377 1.00 0.00 H new ATOM 0 HB3 PHE A 67 6.619 -5.345 0.875 1.00 0.00 H new ATOM 0 HD1 PHE A 67 5.748 -7.125 2.541 1.00 0.00 H new ATOM 0 HD2 PHE A 67 9.305 -7.628 0.187 1.00 0.00 H new ATOM 0 HE1 PHE A 67 6.422 -9.018 4.001 1.00 0.00 H new ATOM 0 HE2 PHE A 67 9.923 -9.611 1.556 1.00 0.00 H new ATOM 0 HZ PHE A 67 8.496 -10.298 3.476 1.00 0.00 H new ATOM 650 N ALA A 68 4.536 -4.718 -1.131 1.00 0.00 N ATOM 651 CA ALA A 68 4.081 -3.558 -1.888 1.00 0.00 C ATOM 652 C ALA A 68 4.146 -2.324 -0.991 1.00 0.00 C ATOM 653 O ALA A 68 3.640 -2.325 0.131 1.00 0.00 O ATOM 654 CB ALA A 68 2.672 -3.825 -2.394 1.00 0.00 C ATOM 0 H ALA A 68 4.174 -4.719 -0.177 1.00 0.00 H new ATOM 0 HA ALA A 68 4.720 -3.376 -2.752 1.00 0.00 H new ATOM 0 HB1 ALA A 68 2.320 -2.964 -2.962 1.00 0.00 H new ATOM 0 HB2 ALA A 68 2.677 -4.706 -3.036 1.00 0.00 H new ATOM 0 HB3 ALA A 68 2.008 -3.997 -1.547 1.00 0.00 H new ATOM 660 N PHE A 69 4.753 -1.267 -1.518 1.00 0.00 N ATOM 661 CA PHE A 69 4.701 0.069 -0.948 1.00 0.00 C ATOM 662 C PHE A 69 4.113 0.968 -2.013 1.00 0.00 C ATOM 663 O PHE A 69 4.800 1.532 -2.876 1.00 0.00 O ATOM 664 CB PHE A 69 6.043 0.570 -0.391 1.00 0.00 C ATOM 665 CG PHE A 69 6.918 -0.510 0.200 1.00 0.00 C ATOM 666 CD1 PHE A 69 6.539 -1.201 1.368 1.00 0.00 C ATOM 667 CD2 PHE A 69 8.074 -0.892 -0.496 1.00 0.00 C ATOM 668 CE1 PHE A 69 7.266 -2.345 1.764 1.00 0.00 C ATOM 669 CE2 PHE A 69 8.801 -2.009 -0.078 1.00 0.00 C ATOM 670 CZ PHE A 69 8.386 -2.764 1.013 1.00 0.00 C ATOM 0 H PHE A 69 5.307 -1.319 -2.373 1.00 0.00 H new ATOM 0 HA PHE A 69 4.071 0.068 -0.059 1.00 0.00 H new ATOM 0 HB2 PHE A 69 6.591 1.067 -1.191 1.00 0.00 H new ATOM 0 HB3 PHE A 69 5.847 1.321 0.375 1.00 0.00 H new ATOM 0 HD1 PHE A 69 5.700 -0.859 1.955 1.00 0.00 H new ATOM 0 HD2 PHE A 69 8.402 -0.323 -1.354 1.00 0.00 H new ATOM 0 HE1 PHE A 69 6.966 -2.899 2.641 1.00 0.00 H new ATOM 0 HE2 PHE A 69 9.698 -2.290 -0.610 1.00 0.00 H new ATOM 0 HZ PHE A 69 8.917 -3.665 1.284 1.00 0.00 H new ATOM 680 N VAL A 70 2.787 0.987 -2.026 1.00 0.00 N ATOM 681 CA VAL A 70 2.040 1.907 -2.874 1.00 0.00 C ATOM 682 C VAL A 70 2.211 3.312 -2.313 1.00 0.00 C ATOM 683 O VAL A 70 2.612 3.495 -1.166 1.00 0.00 O ATOM 684 CB VAL A 70 0.592 1.426 -3.066 1.00 0.00 C ATOM 685 CG1 VAL A 70 -0.122 1.932 -4.306 1.00 0.00 C ATOM 686 CG2 VAL A 70 0.583 -0.056 -3.393 1.00 0.00 C ATOM 0 H VAL A 70 2.204 0.373 -1.457 1.00 0.00 H new ATOM 0 HA VAL A 70 2.430 1.933 -3.891 1.00 0.00 H new ATOM 0 HB VAL A 70 0.119 1.762 -2.143 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -1.134 1.527 -4.334 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -0.167 3.021 -4.281 1.00 0.00 H new ATOM 0 HG13 VAL A 70 0.422 1.612 -5.195 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -0.445 -0.393 -3.528 1.00 0.00 H new ATOM 0 HG22 VAL A 70 1.145 -0.230 -4.310 1.00 0.00 H new ATOM 0 HG23 VAL A 70 1.042 -0.612 -2.575 1.00 0.00 H new ATOM 696 N GLU A 71 1.950 4.320 -3.123 1.00 0.00 N ATOM 697 CA GLU A 71 2.219 5.713 -2.804 1.00 0.00 C ATOM 698 C GLU A 71 1.211 6.587 -3.534 1.00 0.00 C ATOM 699 O GLU A 71 0.794 6.254 -4.652 1.00 0.00 O ATOM 700 CB GLU A 71 3.630 6.067 -3.289 1.00 0.00 C ATOM 701 CG GLU A 71 4.130 7.375 -2.665 1.00 0.00 C ATOM 702 CD GLU A 71 5.553 7.743 -3.106 1.00 0.00 C ATOM 703 OE1 GLU A 71 5.749 8.140 -4.279 1.00 0.00 O ATOM 704 OE2 GLU A 71 6.479 7.675 -2.265 1.00 0.00 O ATOM 0 H GLU A 71 1.534 4.192 -4.046 1.00 0.00 H new ATOM 0 HA GLU A 71 2.142 5.874 -1.729 1.00 0.00 H new ATOM 0 HB2 GLU A 71 4.316 5.258 -3.037 1.00 0.00 H new ATOM 0 HB3 GLU A 71 3.630 6.158 -4.375 1.00 0.00 H new ATOM 0 HG2 GLU A 71 3.451 8.183 -2.936 1.00 0.00 H new ATOM 0 HG3 GLU A 71 4.103 7.287 -1.579 1.00 0.00 H new ATOM 711 N PHE A 72 0.905 7.741 -2.954 1.00 0.00 N ATOM 712 CA PHE A 72 0.050 8.763 -3.547 1.00 0.00 C ATOM 713 C PHE A 72 0.696 10.153 -3.522 1.00 0.00 C ATOM 714 O PHE A 72 1.636 10.406 -2.769 1.00 0.00 O ATOM 715 CB PHE A 72 -1.258 8.817 -2.754 1.00 0.00 C ATOM 716 CG PHE A 72 -2.001 7.514 -2.587 1.00 0.00 C ATOM 717 CD1 PHE A 72 -2.317 6.726 -3.707 1.00 0.00 C ATOM 718 CD2 PHE A 72 -2.438 7.132 -1.306 1.00 0.00 C ATOM 719 CE1 PHE A 72 -3.096 5.563 -3.541 1.00 0.00 C ATOM 720 CE2 PHE A 72 -3.229 5.986 -1.156 1.00 0.00 C ATOM 721 CZ PHE A 72 -3.554 5.203 -2.267 1.00 0.00 C ATOM 0 H PHE A 72 1.255 8.000 -2.031 1.00 0.00 H new ATOM 0 HA PHE A 72 -0.120 8.496 -4.590 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -1.039 9.214 -1.763 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -1.924 9.529 -3.243 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -1.965 7.010 -4.688 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -2.165 7.720 -0.442 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -3.340 4.950 -4.396 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -3.589 5.706 -0.177 1.00 0.00 H new ATOM 0 HZ PHE A 72 -4.160 4.318 -2.143 1.00 0.00 H new ATOM 731 N GLU A 73 0.164 11.075 -4.332 1.00 0.00 N ATOM 732 CA GLU A 73 0.473 12.517 -4.193 1.00 0.00 C ATOM 733 C GLU A 73 -0.560 13.209 -3.266 1.00 0.00 C ATOM 734 O GLU A 73 -0.467 14.399 -2.967 1.00 0.00 O ATOM 735 CB GLU A 73 0.579 13.258 -5.537 1.00 0.00 C ATOM 736 CG GLU A 73 -0.581 12.996 -6.510 1.00 0.00 C ATOM 737 CD GLU A 73 -0.321 13.673 -7.870 1.00 0.00 C ATOM 738 OE1 GLU A 73 0.422 13.101 -8.708 1.00 0.00 O ATOM 739 OE2 GLU A 73 -0.857 14.782 -8.118 1.00 0.00 O ATOM 0 H GLU A 73 -0.482 10.857 -5.091 1.00 0.00 H new ATOM 0 HA GLU A 73 1.462 12.573 -3.739 1.00 0.00 H new ATOM 0 HB2 GLU A 73 0.636 14.329 -5.342 1.00 0.00 H new ATOM 0 HB3 GLU A 73 1.513 12.972 -6.021 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -0.707 11.923 -6.652 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -1.511 13.372 -6.084 1.00 0.00 H new ATOM 746 N GLU A 74 -1.560 12.444 -2.816 1.00 0.00 N ATOM 747 CA GLU A 74 -2.771 12.864 -2.112 1.00 0.00 C ATOM 748 C GLU A 74 -2.829 12.158 -0.743 1.00 0.00 C ATOM 749 O GLU A 74 -3.192 10.983 -0.659 1.00 0.00 O ATOM 750 CB GLU A 74 -3.983 12.520 -3.011 1.00 0.00 C ATOM 751 CG GLU A 74 -5.333 13.004 -2.463 1.00 0.00 C ATOM 752 CD GLU A 74 -6.518 12.618 -3.384 1.00 0.00 C ATOM 753 OE1 GLU A 74 -6.712 13.289 -4.421 1.00 0.00 O ATOM 754 OE2 GLU A 74 -7.273 11.663 -3.061 1.00 0.00 O ATOM 0 H GLU A 74 -1.539 11.433 -2.947 1.00 0.00 H new ATOM 0 HA GLU A 74 -2.779 13.937 -1.919 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -3.826 12.959 -3.996 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -4.025 11.439 -3.146 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -5.493 12.579 -1.472 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -5.307 14.087 -2.345 1.00 0.00 H new ATOM 761 N ALA A 75 -2.481 12.859 0.339 1.00 0.00 N ATOM 762 CA ALA A 75 -2.623 12.331 1.701 1.00 0.00 C ATOM 763 C ALA A 75 -4.094 12.010 2.066 1.00 0.00 C ATOM 764 O ALA A 75 -4.355 11.162 2.918 1.00 0.00 O ATOM 765 CB ALA A 75 -1.962 13.299 2.697 1.00 0.00 C ATOM 0 H ALA A 75 -2.095 13.802 0.298 1.00 0.00 H new ATOM 0 HA ALA A 75 -2.105 11.374 1.756 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -2.067 12.908 3.709 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -0.904 13.403 2.456 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -2.446 14.274 2.633 1.00 0.00 H new ATOM 771 N GLU A 76 -5.068 12.603 1.361 1.00 0.00 N ATOM 772 CA GLU A 76 -6.485 12.219 1.456 1.00 0.00 C ATOM 773 C GLU A 76 -6.762 10.836 0.826 1.00 0.00 C ATOM 774 O GLU A 76 -7.696 10.155 1.245 1.00 0.00 O ATOM 775 CB GLU A 76 -7.396 13.281 0.812 1.00 0.00 C ATOM 776 CG GLU A 76 -7.161 14.717 1.301 1.00 0.00 C ATOM 777 CD GLU A 76 -7.368 14.867 2.828 1.00 0.00 C ATOM 778 OE1 GLU A 76 -8.529 14.788 3.294 1.00 0.00 O ATOM 779 OE2 GLU A 76 -6.374 15.084 3.557 1.00 0.00 O ATOM 0 H GLU A 76 -4.895 13.366 0.706 1.00 0.00 H new ATOM 0 HA GLU A 76 -6.715 12.153 2.519 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -7.255 13.253 -0.268 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -8.435 13.013 1.005 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -6.147 15.023 1.044 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -7.840 15.391 0.778 1.00 0.00 H new ATOM 786 N SER A 77 -5.944 10.369 -0.122 1.00 0.00 N ATOM 787 CA SER A 77 -5.999 8.979 -0.600 1.00 0.00 C ATOM 788 C SER A 77 -5.344 8.033 0.366 1.00 0.00 C ATOM 789 O SER A 77 -5.823 6.920 0.519 1.00 0.00 O ATOM 790 CB SER A 77 -5.400 8.772 -1.985 1.00 0.00 C ATOM 791 OG SER A 77 -5.746 7.502 -2.506 1.00 0.00 O ATOM 0 H SER A 77 -5.230 10.936 -0.578 1.00 0.00 H new ATOM 0 HA SER A 77 -7.064 8.759 -0.672 1.00 0.00 H new ATOM 0 HB2 SER A 77 -5.754 9.553 -2.658 1.00 0.00 H new ATOM 0 HB3 SER A 77 -4.315 8.864 -1.933 1.00 0.00 H new ATOM 0 HG SER A 77 -5.025 6.865 -2.321 1.00 0.00 H new ATOM 797 N ALA A 78 -4.319 8.463 1.095 1.00 0.00 N ATOM 798 CA ALA A 78 -3.806 7.667 2.193 1.00 0.00 C ATOM 799 C ALA A 78 -4.895 7.492 3.261 1.00 0.00 C ATOM 800 O ALA A 78 -5.235 6.358 3.587 1.00 0.00 O ATOM 801 CB ALA A 78 -2.525 8.317 2.692 1.00 0.00 C ATOM 0 H ALA A 78 -3.835 9.348 0.944 1.00 0.00 H new ATOM 0 HA ALA A 78 -3.547 6.655 1.880 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -2.120 7.735 3.520 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -1.796 8.353 1.883 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -2.740 9.330 3.032 1.00 0.00 H new ATOM 807 N ALA A 79 -5.543 8.585 3.696 1.00 0.00 N ATOM 808 CA ALA A 79 -6.720 8.565 4.565 1.00 0.00 C ATOM 809 C ALA A 79 -7.830 7.624 4.057 1.00 0.00 C ATOM 810 O ALA A 79 -8.297 6.760 4.810 1.00 0.00 O ATOM 811 CB ALA A 79 -7.219 10.000 4.772 1.00 0.00 C ATOM 0 H ALA A 79 -5.251 9.529 3.444 1.00 0.00 H new ATOM 0 HA ALA A 79 -6.425 8.151 5.529 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -8.096 9.990 5.419 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -6.433 10.595 5.236 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -7.484 10.436 3.809 1.00 0.00 H new ATOM 817 N LYS A 80 -8.228 7.730 2.784 1.00 0.00 N ATOM 818 CA LYS A 80 -9.283 6.862 2.248 1.00 0.00 C ATOM 819 C LYS A 80 -8.841 5.413 2.102 1.00 0.00 C ATOM 820 O LYS A 80 -9.589 4.522 2.478 1.00 0.00 O ATOM 821 CB LYS A 80 -9.905 7.444 0.959 1.00 0.00 C ATOM 822 CG LYS A 80 -9.405 6.908 -0.392 1.00 0.00 C ATOM 823 CD LYS A 80 -9.980 7.772 -1.539 1.00 0.00 C ATOM 824 CE LYS A 80 -8.987 8.847 -1.999 1.00 0.00 C ATOM 825 NZ LYS A 80 -9.423 9.622 -3.188 1.00 0.00 N ATOM 0 H LYS A 80 -7.843 8.397 2.115 1.00 0.00 H new ATOM 0 HA LYS A 80 -10.081 6.841 2.991 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -10.982 7.280 1.005 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -9.746 8.522 0.969 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -8.316 6.926 -0.421 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -9.710 5.869 -0.518 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -10.237 7.131 -2.382 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -10.903 8.248 -1.207 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -8.813 9.539 -1.175 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -8.033 8.370 -2.222 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -8.755 10.400 -3.359 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -9.448 8.998 -4.019 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -10.372 10.012 -3.019 1.00 0.00 H new ATOM 839 N ALA A 81 -7.613 5.173 1.655 1.00 0.00 N ATOM 840 CA ALA A 81 -7.035 3.839 1.541 1.00 0.00 C ATOM 841 C ALA A 81 -7.020 3.166 2.934 1.00 0.00 C ATOM 842 O ALA A 81 -7.429 2.014 3.074 1.00 0.00 O ATOM 843 CB ALA A 81 -5.634 3.922 0.936 1.00 0.00 C ATOM 0 H ALA A 81 -6.980 5.914 1.356 1.00 0.00 H new ATOM 0 HA ALA A 81 -7.642 3.227 0.874 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -5.212 2.920 0.856 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -5.692 4.372 -0.055 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -4.997 4.533 1.575 1.00 0.00 H new ATOM 849 N ILE A 82 -6.630 3.903 3.991 1.00 0.00 N ATOM 850 CA ILE A 82 -6.692 3.436 5.382 1.00 0.00 C ATOM 851 C ILE A 82 -8.115 3.000 5.739 1.00 0.00 C ATOM 852 O ILE A 82 -8.353 1.842 6.090 1.00 0.00 O ATOM 853 CB ILE A 82 -6.182 4.500 6.392 1.00 0.00 C ATOM 854 CG1 ILE A 82 -4.674 4.804 6.253 1.00 0.00 C ATOM 855 CG2 ILE A 82 -6.442 4.120 7.863 1.00 0.00 C ATOM 856 CD1 ILE A 82 -4.392 6.261 6.614 1.00 0.00 C ATOM 0 H ILE A 82 -6.260 4.849 3.898 1.00 0.00 H new ATOM 0 HA ILE A 82 -6.024 2.578 5.458 1.00 0.00 H new ATOM 0 HB ILE A 82 -6.761 5.387 6.134 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -4.101 4.143 6.904 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -4.349 4.606 5.232 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -6.061 4.906 8.515 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -7.514 4.002 8.024 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -5.936 3.182 8.092 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -3.325 6.461 6.512 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -4.950 6.916 5.945 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -4.699 6.447 7.643 1.00 0.00 H new ATOM 868 N GLU A 83 -9.077 3.909 5.590 1.00 0.00 N ATOM 869 CA GLU A 83 -10.481 3.633 5.909 1.00 0.00 C ATOM 870 C GLU A 83 -11.086 2.500 5.049 1.00 0.00 C ATOM 871 O GLU A 83 -11.986 1.793 5.511 1.00 0.00 O ATOM 872 CB GLU A 83 -11.288 4.934 5.810 1.00 0.00 C ATOM 873 CG GLU A 83 -10.880 5.969 6.873 1.00 0.00 C ATOM 874 CD GLU A 83 -11.368 5.591 8.291 1.00 0.00 C ATOM 875 OE1 GLU A 83 -10.639 4.886 9.026 1.00 0.00 O ATOM 876 OE2 GLU A 83 -12.485 6.011 8.682 1.00 0.00 O ATOM 0 H GLU A 83 -8.909 4.854 5.246 1.00 0.00 H new ATOM 0 HA GLU A 83 -10.530 3.263 6.933 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -11.153 5.366 4.818 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -12.349 4.708 5.918 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -9.794 6.067 6.881 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -11.286 6.943 6.601 1.00 0.00 H new ATOM 883 N GLU A 84 -10.542 2.247 3.860 1.00 0.00 N ATOM 884 CA GLU A 84 -11.008 1.221 2.910 1.00 0.00 C ATOM 885 C GLU A 84 -10.409 -0.168 3.184 1.00 0.00 C ATOM 886 O GLU A 84 -11.108 -1.170 3.017 1.00 0.00 O ATOM 887 CB GLU A 84 -10.615 1.605 1.465 1.00 0.00 C ATOM 888 CG GLU A 84 -11.448 2.720 0.819 1.00 0.00 C ATOM 889 CD GLU A 84 -12.768 2.191 0.221 1.00 0.00 C ATOM 890 OE1 GLU A 84 -13.697 1.849 0.994 1.00 0.00 O ATOM 891 OE2 GLU A 84 -12.894 2.126 -1.020 1.00 0.00 O ATOM 0 H GLU A 84 -9.735 2.766 3.513 1.00 0.00 H new ATOM 0 HA GLU A 84 -12.090 1.175 3.036 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -9.569 1.911 1.463 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -10.688 0.715 0.840 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -11.669 3.484 1.564 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -10.863 3.200 0.035 1.00 0.00 H new ATOM 898 N VAL A 85 -9.131 -0.250 3.585 1.00 0.00 N ATOM 899 CA VAL A 85 -8.384 -1.526 3.602 1.00 0.00 C ATOM 900 C VAL A 85 -7.238 -1.645 4.635 1.00 0.00 C ATOM 901 O VAL A 85 -6.703 -2.735 4.813 1.00 0.00 O ATOM 902 CB VAL A 85 -7.955 -1.840 2.145 1.00 0.00 C ATOM 903 CG1 VAL A 85 -7.002 -0.799 1.557 1.00 0.00 C ATOM 904 CG2 VAL A 85 -7.397 -3.247 1.934 1.00 0.00 C ATOM 0 H VAL A 85 -8.588 0.553 3.904 1.00 0.00 H new ATOM 0 HA VAL A 85 -9.059 -2.296 3.976 1.00 0.00 H new ATOM 0 HB VAL A 85 -8.895 -1.791 1.595 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -6.742 -1.079 0.536 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -7.487 0.177 1.553 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -6.097 -0.752 2.162 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -7.124 -3.377 0.887 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -6.515 -3.386 2.559 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -8.154 -3.983 2.205 1.00 0.00 H new ATOM 914 N HIS A 86 -6.896 -0.615 5.420 1.00 0.00 N ATOM 915 CA HIS A 86 -5.972 -0.791 6.563 1.00 0.00 C ATOM 916 C HIS A 86 -6.576 -1.668 7.666 1.00 0.00 C ATOM 917 O HIS A 86 -7.611 -1.327 8.248 1.00 0.00 O ATOM 918 CB HIS A 86 -5.576 0.548 7.190 1.00 0.00 C ATOM 919 CG HIS A 86 -4.534 0.450 8.286 1.00 0.00 C ATOM 920 ND1 HIS A 86 -3.234 0.883 8.194 1.00 0.00 N ATOM 921 CD2 HIS A 86 -4.705 -0.013 9.566 1.00 0.00 C ATOM 922 CE1 HIS A 86 -2.626 0.673 9.375 1.00 0.00 C ATOM 923 NE2 HIS A 86 -3.486 0.119 10.247 1.00 0.00 N ATOM 0 H HIS A 86 -7.236 0.338 5.293 1.00 0.00 H new ATOM 0 HA HIS A 86 -5.091 -1.280 6.149 1.00 0.00 H new ATOM 0 HB2 HIS A 86 -5.198 1.203 6.405 1.00 0.00 H new ATOM 0 HB3 HIS A 86 -6.469 1.021 7.598 1.00 0.00 H new ATOM 0 HD1 HIS A 86 -2.802 1.295 7.367 1.00 0.00 H new ATOM 0 HD2 HIS A 86 -5.621 -0.411 9.978 1.00 0.00 H new ATOM 0 HE1 HIS A 86 -1.596 0.915 9.592 1.00 0.00 H new ATOM 931 N GLY A 87 -5.914 -2.779 7.994 1.00 0.00 N ATOM 932 CA GLY A 87 -6.236 -3.610 9.166 1.00 0.00 C ATOM 933 C GLY A 87 -7.265 -4.693 8.844 1.00 0.00 C ATOM 934 O GLY A 87 -7.601 -5.530 9.683 1.00 0.00 O ATOM 0 H GLY A 87 -5.129 -3.135 7.449 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -5.325 -4.077 9.539 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -6.618 -2.975 9.965 1.00 0.00 H new ATOM 938 N LYS A 88 -7.742 -4.678 7.595 1.00 0.00 N ATOM 939 CA LYS A 88 -8.553 -5.698 6.955 1.00 0.00 C ATOM 940 C LYS A 88 -7.639 -6.864 6.589 1.00 0.00 C ATOM 941 O LYS A 88 -6.511 -6.644 6.154 1.00 0.00 O ATOM 942 CB LYS A 88 -9.125 -5.081 5.679 1.00 0.00 C ATOM 943 CG LYS A 88 -10.334 -4.142 5.859 1.00 0.00 C ATOM 944 CD LYS A 88 -10.010 -2.859 6.647 1.00 0.00 C ATOM 945 CE LYS A 88 -11.013 -1.737 6.363 1.00 0.00 C ATOM 946 NZ LYS A 88 -10.563 -0.431 6.924 1.00 0.00 N ATOM 0 H LYS A 88 -7.554 -3.895 6.968 1.00 0.00 H new ATOM 0 HA LYS A 88 -9.355 -6.049 7.604 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -8.330 -4.525 5.182 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -9.416 -5.889 5.008 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -10.719 -3.867 4.877 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -11.129 -4.682 6.373 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -10.008 -3.081 7.714 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -9.006 -2.520 6.390 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -11.153 -1.640 5.286 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -11.981 -2.000 6.788 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -11.075 0.343 6.455 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -10.758 -0.406 7.945 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -9.542 -0.318 6.764 1.00 0.00 H new ATOM 960 N SER A 89 -8.111 -8.087 6.771 1.00 0.00 N ATOM 961 CA SER A 89 -7.304 -9.308 6.631 1.00 0.00 C ATOM 962 C SER A 89 -7.252 -9.812 5.182 1.00 0.00 C ATOM 963 O SER A 89 -8.101 -10.607 4.765 1.00 0.00 O ATOM 964 CB SER A 89 -7.789 -10.392 7.601 1.00 0.00 C ATOM 965 OG SER A 89 -9.194 -10.604 7.525 1.00 0.00 O ATOM 0 H SER A 89 -9.081 -8.272 7.025 1.00 0.00 H new ATOM 0 HA SER A 89 -6.278 -9.055 6.898 1.00 0.00 H new ATOM 0 HB2 SER A 89 -7.272 -11.327 7.384 1.00 0.00 H new ATOM 0 HB3 SER A 89 -7.522 -10.109 8.619 1.00 0.00 H new ATOM 0 HG SER A 89 -9.460 -10.698 6.587 1.00 0.00 H new ATOM 971 N PHE A 90 -6.276 -9.351 4.392 1.00 0.00 N ATOM 972 CA PHE A 90 -6.094 -9.881 3.029 1.00 0.00 C ATOM 973 C PHE A 90 -5.325 -11.216 3.052 1.00 0.00 C ATOM 974 O PHE A 90 -4.368 -11.378 3.808 1.00 0.00 O ATOM 975 CB PHE A 90 -5.464 -8.809 2.144 1.00 0.00 C ATOM 976 CG PHE A 90 -5.654 -9.113 0.661 1.00 0.00 C ATOM 977 CD1 PHE A 90 -4.962 -10.170 0.048 1.00 0.00 C ATOM 978 CD2 PHE A 90 -6.648 -8.419 -0.049 1.00 0.00 C ATOM 979 CE1 PHE A 90 -5.292 -10.563 -1.259 1.00 0.00 C ATOM 980 CE2 PHE A 90 -6.961 -8.795 -1.372 1.00 0.00 C ATOM 981 CZ PHE A 90 -6.295 -9.879 -1.962 1.00 0.00 C ATOM 0 H PHE A 90 -5.610 -8.627 4.662 1.00 0.00 H new ATOM 0 HA PHE A 90 -7.061 -10.121 2.587 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -5.907 -7.840 2.376 1.00 0.00 H new ATOM 0 HB3 PHE A 90 -4.399 -8.734 2.366 1.00 0.00 H new ATOM 0 HD1 PHE A 90 -4.175 -10.681 0.582 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -7.172 -7.598 0.418 1.00 0.00 H new ATOM 0 HE1 PHE A 90 -4.775 -11.390 -1.722 1.00 0.00 H new ATOM 0 HE2 PHE A 90 -7.710 -8.251 -1.928 1.00 0.00 H new ATOM 0 HZ PHE A 90 -6.556 -10.189 -2.963 1.00 0.00 H new ATOM 991 N ALA A 91 -5.739 -12.171 2.207 1.00 0.00 N ATOM 992 CA ALA A 91 -5.247 -13.554 2.079 1.00 0.00 C ATOM 993 C ALA A 91 -5.322 -14.409 3.372 1.00 0.00 C ATOM 994 O ALA A 91 -6.016 -15.429 3.400 1.00 0.00 O ATOM 995 CB ALA A 91 -3.841 -13.543 1.454 1.00 0.00 C ATOM 0 H ALA A 91 -6.488 -11.983 1.540 1.00 0.00 H new ATOM 0 HA ALA A 91 -5.938 -14.067 1.411 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -3.477 -14.566 1.359 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -3.885 -13.081 0.468 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -3.164 -12.974 2.092 1.00 0.00 H new ATOM 1001 N ASN A 92 -4.636 -13.988 4.434 1.00 0.00 N ATOM 1002 CA ASN A 92 -4.601 -14.610 5.762 1.00 0.00 C ATOM 1003 C ASN A 92 -4.248 -13.634 6.913 1.00 0.00 C ATOM 1004 O ASN A 92 -4.238 -14.060 8.076 1.00 0.00 O ATOM 1005 CB ASN A 92 -3.614 -15.799 5.724 1.00 0.00 C ATOM 1006 CG ASN A 92 -2.194 -15.409 5.340 1.00 0.00 C ATOM 1007 OD1 ASN A 92 -1.812 -15.423 4.173 1.00 0.00 O ATOM 1008 ND2 ASN A 92 -1.357 -15.046 6.282 1.00 0.00 N ATOM 0 H ASN A 92 -4.053 -13.152 4.390 1.00 0.00 H new ATOM 0 HA ASN A 92 -5.612 -14.951 5.987 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -3.597 -16.276 6.704 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -3.981 -16.541 5.015 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -0.402 -14.780 6.041 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -1.661 -15.030 7.256 1.00 0.00 H new ATOM 1015 N GLN A 93 -3.924 -12.359 6.642 1.00 0.00 N ATOM 1016 CA GLN A 93 -3.394 -11.404 7.638 1.00 0.00 C ATOM 1017 C GLN A 93 -3.600 -9.934 7.197 1.00 0.00 C ATOM 1018 O GLN A 93 -3.929 -9.670 6.038 1.00 0.00 O ATOM 1019 CB GLN A 93 -1.919 -11.764 7.945 1.00 0.00 C ATOM 1020 CG GLN A 93 -0.959 -11.668 6.755 1.00 0.00 C ATOM 1021 CD GLN A 93 0.376 -12.377 6.981 1.00 0.00 C ATOM 1022 OE1 GLN A 93 0.918 -12.428 8.084 1.00 0.00 O ATOM 1023 NE2 GLN A 93 0.951 -12.983 5.962 1.00 0.00 N ATOM 0 H GLN A 93 -4.023 -11.953 5.711 1.00 0.00 H new ATOM 0 HA GLN A 93 -3.957 -11.491 8.567 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -1.559 -11.105 8.735 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -1.885 -12.780 8.337 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -1.442 -12.094 5.875 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -0.769 -10.617 6.537 1.00 0.00 H new ATOM 0 HE21 GLN A 93 0.517 -12.952 5.039 1.00 0.00 H new ATOM 0 HE22 GLN A 93 1.830 -13.483 6.096 1.00 0.00 H new ATOM 1032 N PRO A 94 -3.506 -8.952 8.114 1.00 0.00 N ATOM 1033 CA PRO A 94 -3.877 -7.579 7.796 1.00 0.00 C ATOM 1034 C PRO A 94 -2.796 -6.727 7.123 1.00 0.00 C ATOM 1035 O PRO A 94 -1.599 -6.822 7.399 1.00 0.00 O ATOM 1036 CB PRO A 94 -4.316 -6.954 9.119 1.00 0.00 C ATOM 1037 CG PRO A 94 -3.479 -7.716 10.137 1.00 0.00 C ATOM 1038 CD PRO A 94 -3.445 -9.121 9.557 1.00 0.00 C ATOM 0 HA PRO A 94 -4.664 -7.606 7.042 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -4.115 -5.883 9.148 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -5.384 -7.083 9.294 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -2.479 -7.294 10.236 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -3.932 -7.698 11.128 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -2.536 -9.644 9.852 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -4.285 -9.714 9.918 1.00 0.00 H new ATOM 1046 N LEU A 95 -3.287 -5.836 6.263 1.00 0.00 N ATOM 1047 CA LEU A 95 -2.563 -4.746 5.616 1.00 0.00 C ATOM 1048 C LEU A 95 -2.044 -3.680 6.612 1.00 0.00 C ATOM 1049 O LEU A 95 -2.623 -3.485 7.679 1.00 0.00 O ATOM 1050 CB LEU A 95 -3.561 -4.063 4.664 1.00 0.00 C ATOM 1051 CG LEU A 95 -3.986 -4.763 3.358 1.00 0.00 C ATOM 1052 CD1 LEU A 95 -2.887 -5.483 2.598 1.00 0.00 C ATOM 1053 CD2 LEU A 95 -5.166 -5.685 3.517 1.00 0.00 C ATOM 0 H LEU A 95 -4.267 -5.859 5.982 1.00 0.00 H new ATOM 0 HA LEU A 95 -1.691 -5.162 5.112 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -4.468 -3.864 5.235 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -3.138 -3.096 4.390 1.00 0.00 H new ATOM 0 HG LEU A 95 -4.278 -3.909 2.747 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -3.304 -5.936 1.699 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -2.111 -4.771 2.319 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -2.456 -6.260 3.230 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -5.405 -6.140 2.556 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -4.923 -6.466 4.237 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -6.026 -5.118 3.873 1.00 0.00 H new ATOM 1065 N GLU A 96 -1.050 -2.887 6.185 1.00 0.00 N ATOM 1066 CA GLU A 96 -0.553 -1.676 6.871 1.00 0.00 C ATOM 1067 C GLU A 96 -0.486 -0.497 5.869 1.00 0.00 C ATOM 1068 O GLU A 96 0.520 0.176 5.643 1.00 0.00 O ATOM 1069 CB GLU A 96 0.779 -1.965 7.569 1.00 0.00 C ATOM 1070 CG GLU A 96 1.080 -0.933 8.668 1.00 0.00 C ATOM 1071 CD GLU A 96 2.575 -0.913 9.012 1.00 0.00 C ATOM 1072 OE1 GLU A 96 3.138 -1.977 9.363 1.00 0.00 O ATOM 1073 OE2 GLU A 96 3.214 0.160 8.945 1.00 0.00 O ATOM 0 H GLU A 96 -0.547 -3.076 5.318 1.00 0.00 H new ATOM 0 HA GLU A 96 -1.246 -1.379 7.658 1.00 0.00 H new ATOM 0 HB2 GLU A 96 0.752 -2.964 8.005 1.00 0.00 H new ATOM 0 HB3 GLU A 96 1.584 -1.959 6.834 1.00 0.00 H new ATOM 0 HG2 GLU A 96 0.766 0.057 8.337 1.00 0.00 H new ATOM 0 HG3 GLU A 96 0.501 -1.169 9.561 1.00 0.00 H new ATOM 1080 N VAL A 97 -1.616 -0.293 5.206 1.00 0.00 N ATOM 1081 CA VAL A 97 -1.919 0.796 4.264 1.00 0.00 C ATOM 1082 C VAL A 97 -1.839 2.105 5.036 1.00 0.00 C ATOM 1083 O VAL A 97 -2.721 2.331 5.864 1.00 0.00 O ATOM 1084 CB VAL A 97 -3.357 0.567 3.779 1.00 0.00 C ATOM 1085 CG1 VAL A 97 -3.993 1.692 2.970 1.00 0.00 C ATOM 1086 CG2 VAL A 97 -3.437 -0.707 2.932 1.00 0.00 C ATOM 0 H VAL A 97 -2.408 -0.926 5.315 1.00 0.00 H new ATOM 0 HA VAL A 97 -1.230 0.826 3.420 1.00 0.00 H new ATOM 0 HB VAL A 97 -3.923 0.500 4.708 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -5.007 1.409 2.687 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -4.025 2.600 3.572 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -3.403 1.873 2.072 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -4.463 -0.856 2.595 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -2.781 -0.610 2.067 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -3.124 -1.562 3.531 1.00 0.00 H new ATOM 1096 N VAL A 98 -0.801 2.939 4.878 1.00 0.00 N ATOM 1097 CA VAL A 98 -0.585 3.980 5.884 1.00 0.00 C ATOM 1098 C VAL A 98 0.264 5.158 5.373 1.00 0.00 C ATOM 1099 O VAL A 98 0.085 5.684 4.276 1.00 0.00 O ATOM 1100 CB VAL A 98 -0.060 3.208 7.144 1.00 0.00 C ATOM 1101 CG1 VAL A 98 1.449 2.934 7.317 1.00 0.00 C ATOM 1102 CG2 VAL A 98 -0.835 3.704 8.349 1.00 0.00 C ATOM 0 H VAL A 98 -0.133 2.917 4.107 1.00 0.00 H new ATOM 0 HA VAL A 98 -1.494 4.519 6.150 1.00 0.00 H new ATOM 0 HB VAL A 98 -0.276 2.153 6.974 1.00 0.00 H new ATOM 0 HG11 VAL A 98 1.616 2.390 8.247 1.00 0.00 H new ATOM 0 HG12 VAL A 98 1.809 2.338 6.478 1.00 0.00 H new ATOM 0 HG13 VAL A 98 1.989 3.880 7.348 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -0.491 3.183 9.243 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -0.675 4.775 8.469 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -1.898 3.510 8.203 1.00 0.00 H new ATOM 1112 N TYR A 99 1.184 5.605 6.215 1.00 0.00 N ATOM 1113 CA TYR A 99 2.274 6.517 5.905 1.00 0.00 C ATOM 1114 C TYR A 99 3.585 5.702 5.885 1.00 0.00 C ATOM 1115 O TYR A 99 4.487 6.016 6.656 1.00 0.00 O ATOM 1116 CB TYR A 99 2.292 7.631 6.969 1.00 0.00 C ATOM 1117 CG TYR A 99 1.069 8.530 7.109 1.00 0.00 C ATOM 1118 CD1 TYR A 99 0.028 8.546 6.158 1.00 0.00 C ATOM 1119 CD2 TYR A 99 1.029 9.439 8.185 1.00 0.00 C ATOM 1120 CE1 TYR A 99 -1.031 9.467 6.278 1.00 0.00 C ATOM 1121 CE2 TYR A 99 -0.016 10.375 8.298 1.00 0.00 C ATOM 1122 CZ TYR A 99 -1.058 10.388 7.346 1.00 0.00 C ATOM 1123 OH TYR A 99 -2.068 11.295 7.439 1.00 0.00 O ATOM 0 H TYR A 99 1.189 5.322 7.195 1.00 0.00 H new ATOM 0 HA TYR A 99 2.152 6.989 4.930 1.00 0.00 H new ATOM 0 HB2 TYR A 99 2.469 7.161 7.936 1.00 0.00 H new ATOM 0 HB3 TYR A 99 3.150 8.271 6.763 1.00 0.00 H new ATOM 0 HD1 TYR A 99 0.043 7.849 5.333 1.00 0.00 H new ATOM 0 HD2 TYR A 99 1.809 9.417 8.932 1.00 0.00 H new ATOM 0 HE1 TYR A 99 -1.827 9.468 5.548 1.00 0.00 H new ATOM 0 HE2 TYR A 99 -0.021 11.083 9.113 1.00 0.00 H new ATOM 0 HH TYR A 99 -1.935 11.853 8.234 1.00 0.00 H new ATOM 1133 N SER A 100 3.663 4.603 5.114 1.00 0.00 N ATOM 1134 CA SER A 100 4.754 3.601 5.155 1.00 0.00 C ATOM 1135 C SER A 100 6.133 4.174 5.527 1.00 0.00 C ATOM 1136 O SER A 100 6.717 4.962 4.776 1.00 0.00 O ATOM 1137 CB SER A 100 4.863 2.694 3.933 1.00 0.00 C ATOM 1138 OG SER A 100 5.844 1.724 4.259 1.00 0.00 O ATOM 0 H SER A 100 2.949 4.376 4.422 1.00 0.00 H new ATOM 0 HA SER A 100 4.430 2.964 5.978 1.00 0.00 H new ATOM 0 HB2 SER A 100 3.906 2.223 3.709 1.00 0.00 H new ATOM 0 HB3 SER A 100 5.153 3.262 3.049 1.00 0.00 H new ATOM 0 HG SER A 100 5.992 1.136 3.489 1.00 0.00 H new