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= 1.68 K(o=1.9,f=-4.8) USER MOD Set 1.2: A 93 GLN : amide:sc= 0.263 K(o=1.9,f=-4.8!) USER MOD Single : A 30 SER OG : rot 31:sc= 0.654 USER MOD Single : A 31 ASN : amide:sc= -0.0177 X(o=-0.018,f=-0.018) USER MOD Single : A 32 THR OG1 : rot 138:sc= 0.587 USER MOD Single : A 44 GLN : amide:sc= -0.029 X(o=-0.029,f=-0.082) USER MOD Single : A 46 SER OG : rot 94:sc= 1.27 USER MOD Single : A 49 ASN : amide:sc= 1.14 K(o=1.1,f=-0.0076) USER MOD Single : A 58 MET CE :methyl -173:sc= -0.912 (180deg=-1.18) USER MOD Single : A 59 LYS NZ :NH3+ 175:sc= 1.13 (180deg=1.07) USER MOD Single : A 62 LYS NZ :NH3+ -163:sc= 0.841 (180deg=0.642) USER MOD Single : A 65 ASN : amide:sc= -0.299 X(o=-0.3,f=-0.3) USER MOD Single : A 77 SER OG : rot -90:sc= 0.156 USER MOD Single : A 80 LYS NZ :NH3+ -168:sc= 0.781 (180deg=0.697) USER MOD Single : A 86 HIS : no HE2:sc= 0.542 K(o=0.54,f=-3.1!) USER MOD Single : A 88 LYS NZ :NH3+ 161:sc= 1.45 (180deg=0.831) USER MOD Single : A 89 SER OG : rot 42:sc= 0.102 USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 100 SER OG : rot -39:sc= 0.26 USER MOD ----------------------------------------------------------------- ATOM 35 N SER A 30 7.141 10.196 5.367 1.00 0.00 N ATOM 36 CA SER A 30 6.994 10.274 3.904 1.00 0.00 C ATOM 37 C SER A 30 5.601 10.770 3.494 1.00 0.00 C ATOM 38 O SER A 30 5.420 11.215 2.361 1.00 0.00 O ATOM 39 CB SER A 30 7.200 8.913 3.224 1.00 0.00 C ATOM 40 OG SER A 30 8.540 8.474 3.303 1.00 0.00 O ATOM 0 HA SER A 30 7.762 10.977 3.581 1.00 0.00 H new ATOM 0 HB2 SER A 30 6.549 8.174 3.691 1.00 0.00 H new ATOM 0 HB3 SER A 30 6.904 8.983 2.177 1.00 0.00 H new ATOM 0 HG SER A 30 8.947 8.814 4.127 1.00 0.00 H new ATOM 46 N ASN A 31 4.612 10.696 4.399 1.00 0.00 N ATOM 47 CA ASN A 31 3.198 11.067 4.203 1.00 0.00 C ATOM 48 C ASN A 31 2.412 10.231 3.168 1.00 0.00 C ATOM 49 O ASN A 31 1.192 10.157 3.286 1.00 0.00 O ATOM 50 CB ASN A 31 3.003 12.559 3.863 1.00 0.00 C ATOM 51 CG ASN A 31 3.982 13.538 4.470 1.00 0.00 C ATOM 52 OD1 ASN A 31 3.901 13.906 5.636 1.00 0.00 O ATOM 53 ND2 ASN A 31 4.915 14.025 3.687 1.00 0.00 N ATOM 0 H ASN A 31 4.787 10.355 5.344 1.00 0.00 H new ATOM 0 HA ASN A 31 2.779 10.841 5.184 1.00 0.00 H new ATOM 0 HB2 ASN A 31 3.045 12.667 2.779 1.00 0.00 H new ATOM 0 HB3 ASN A 31 1.999 12.848 4.174 1.00 0.00 H new ATOM 0 HD21 ASN A 31 5.576 14.712 4.048 1.00 0.00 H new ATOM 0 HD22 ASN A 31 4.979 13.716 2.717 1.00 0.00 H new ATOM 60 N THR A 32 3.062 9.594 2.179 1.00 0.00 N ATOM 61 CA THR A 32 2.378 9.030 0.995 1.00 0.00 C ATOM 62 C THR A 32 2.882 7.669 0.487 1.00 0.00 C ATOM 63 O THR A 32 3.022 7.487 -0.718 1.00 0.00 O ATOM 64 CB THR A 32 2.385 10.058 -0.159 1.00 0.00 C ATOM 65 OG1 THR A 32 3.702 10.315 -0.593 1.00 0.00 O ATOM 66 CG2 THR A 32 1.790 11.414 0.190 1.00 0.00 C ATOM 0 H THR A 32 4.072 9.454 2.174 1.00 0.00 H new ATOM 0 HA THR A 32 1.367 8.825 1.347 1.00 0.00 H new ATOM 0 HB THR A 32 1.768 9.590 -0.926 1.00 0.00 H new ATOM 0 HG1 THR A 32 3.723 10.348 -1.572 1.00 0.00 H new ATOM 0 HG21 THR A 32 1.839 12.068 -0.681 1.00 0.00 H new ATOM 0 HG22 THR A 32 0.750 11.288 0.492 1.00 0.00 H new ATOM 0 HG23 THR A 32 2.354 11.859 1.010 1.00 0.00 H new ATOM 74 N ARG A 33 3.133 6.676 1.359 1.00 0.00 N ATOM 75 CA ARG A 33 3.556 5.331 0.904 1.00 0.00 C ATOM 76 C ARG A 33 2.872 4.164 1.615 1.00 0.00 C ATOM 77 O ARG A 33 2.949 3.968 2.828 1.00 0.00 O ATOM 78 CB ARG A 33 5.064 5.119 0.998 1.00 0.00 C ATOM 79 CG ARG A 33 6.009 5.772 0.002 1.00 0.00 C ATOM 80 CD ARG A 33 6.592 7.108 0.455 1.00 0.00 C ATOM 81 NE ARG A 33 7.526 7.633 -0.549 1.00 0.00 N ATOM 82 CZ ARG A 33 8.798 7.969 -0.446 1.00 0.00 C ATOM 83 NH1 ARG A 33 9.456 8.034 0.666 1.00 0.00 N ATOM 84 NH2 ARG A 33 9.443 8.247 -1.539 1.00 0.00 N ATOM 0 H ARG A 33 3.053 6.773 2.371 1.00 0.00 H new ATOM 0 HA ARG A 33 3.237 5.324 -0.138 1.00 0.00 H new ATOM 0 HB2 ARG A 33 5.371 5.446 1.991 1.00 0.00 H new ATOM 0 HB3 ARG A 33 5.239 4.044 0.948 1.00 0.00 H new ATOM 0 HG2 ARG A 33 6.829 5.084 -0.204 1.00 0.00 H new ATOM 0 HG3 ARG A 33 5.477 5.923 -0.937 1.00 0.00 H new ATOM 0 HD2 ARG A 33 5.787 7.824 0.620 1.00 0.00 H new ATOM 0 HD3 ARG A 33 7.107 6.982 1.407 1.00 0.00 H new ATOM 0 HE ARG A 33 7.126 7.759 -1.479 1.00 0.00 H new ATOM 0 HH11 ARG A 33 8.991 7.817 1.547 1.00 0.00 H new ATOM 0 HH12 ARG A 33 10.440 8.303 0.661 1.00 0.00 H new ATOM 0 HH21 ARG A 33 8.965 8.202 -2.439 1.00 0.00 H new ATOM 0 HH22 ARG A 33 10.427 8.511 -1.497 1.00 0.00 H new ATOM 98 N LEU A 34 2.243 3.312 0.832 1.00 0.00 N ATOM 99 CA LEU A 34 1.386 2.248 1.312 1.00 0.00 C ATOM 100 C LEU A 34 2.136 0.914 1.301 1.00 0.00 C ATOM 101 O LEU A 34 2.372 0.321 0.254 1.00 0.00 O ATOM 102 CB LEU A 34 0.066 2.233 0.534 1.00 0.00 C ATOM 103 CG LEU A 34 -0.624 3.586 0.212 1.00 0.00 C ATOM 104 CD1 LEU A 34 -0.563 4.664 1.308 1.00 0.00 C ATOM 105 CD2 LEU A 34 -0.125 4.175 -1.101 1.00 0.00 C ATOM 0 H LEU A 34 2.316 3.342 -0.185 1.00 0.00 H new ATOM 0 HA LEU A 34 1.115 2.428 2.352 1.00 0.00 H new ATOM 0 HB2 LEU A 34 0.245 1.720 -0.411 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -0.643 1.626 1.097 1.00 0.00 H new ATOM 0 HG LEU A 34 -1.675 3.306 0.137 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -1.079 5.561 0.965 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -1.045 4.291 2.212 1.00 0.00 H new ATOM 0 HD13 LEU A 34 0.478 4.904 1.524 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -0.632 5.121 -1.291 1.00 0.00 H new ATOM 0 HD22 LEU A 34 0.950 4.345 -1.038 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -0.336 3.481 -1.915 1.00 0.00 H new ATOM 117 N PHE A 35 2.524 0.474 2.498 1.00 0.00 N ATOM 118 CA PHE A 35 3.373 -0.677 2.773 1.00 0.00 C ATOM 119 C PHE A 35 2.445 -1.867 2.995 1.00 0.00 C ATOM 120 O PHE A 35 1.789 -2.078 4.015 1.00 0.00 O ATOM 121 CB PHE A 35 4.349 -0.337 3.903 1.00 0.00 C ATOM 122 CG PHE A 35 5.154 -1.478 4.497 1.00 0.00 C ATOM 123 CD1 PHE A 35 5.594 -2.556 3.704 1.00 0.00 C ATOM 124 CD2 PHE A 35 5.536 -1.423 5.849 1.00 0.00 C ATOM 125 CE1 PHE A 35 6.381 -3.579 4.264 1.00 0.00 C ATOM 126 CE2 PHE A 35 6.318 -2.448 6.415 1.00 0.00 C ATOM 127 CZ PHE A 35 6.740 -3.528 5.618 1.00 0.00 C ATOM 0 H PHE A 35 2.233 0.945 3.354 1.00 0.00 H new ATOM 0 HA PHE A 35 4.031 -0.953 1.949 1.00 0.00 H new ATOM 0 HB2 PHE A 35 5.049 0.411 3.530 1.00 0.00 H new ATOM 0 HB3 PHE A 35 3.782 0.131 4.708 1.00 0.00 H new ATOM 0 HD1 PHE A 35 5.325 -2.597 2.659 1.00 0.00 H new ATOM 0 HD2 PHE A 35 5.227 -0.587 6.459 1.00 0.00 H new ATOM 0 HE1 PHE A 35 6.709 -4.405 3.650 1.00 0.00 H new ATOM 0 HE2 PHE A 35 6.593 -2.405 7.458 1.00 0.00 H new ATOM 0 HZ PHE A 35 7.339 -4.316 6.049 1.00 0.00 H new ATOM 137 N VAL A 36 2.319 -2.597 1.901 1.00 0.00 N ATOM 138 CA VAL A 36 1.252 -3.540 1.635 1.00 0.00 C ATOM 139 C VAL A 36 1.904 -4.870 1.280 1.00 0.00 C ATOM 140 O VAL A 36 2.309 -5.154 0.153 1.00 0.00 O ATOM 141 CB VAL A 36 0.398 -2.818 0.584 1.00 0.00 C ATOM 142 CG1 VAL A 36 -0.622 -3.631 -0.147 1.00 0.00 C ATOM 143 CG2 VAL A 36 -0.416 -1.701 1.267 1.00 0.00 C ATOM 0 H VAL A 36 2.993 -2.544 1.137 1.00 0.00 H new ATOM 0 HA VAL A 36 0.579 -3.815 2.447 1.00 0.00 H new ATOM 0 HB VAL A 36 1.141 -2.489 -0.142 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -1.152 -2.997 -0.857 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -0.126 -4.440 -0.683 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -1.333 -4.050 0.566 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -1.024 -1.186 0.523 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -1.065 -2.136 2.027 1.00 0.00 H new ATOM 0 HG23 VAL A 36 0.264 -0.989 1.735 1.00 0.00 H new ATOM 153 N ARG A 37 2.079 -5.654 2.340 1.00 0.00 N ATOM 154 CA ARG A 37 2.912 -6.865 2.436 1.00 0.00 C ATOM 155 C ARG A 37 2.252 -8.177 2.932 1.00 0.00 C ATOM 156 O ARG A 37 2.996 -9.091 3.290 1.00 0.00 O ATOM 157 CB ARG A 37 4.087 -6.471 3.345 1.00 0.00 C ATOM 158 CG ARG A 37 3.598 -5.892 4.694 1.00 0.00 C ATOM 159 CD ARG A 37 4.413 -6.317 5.920 1.00 0.00 C ATOM 160 NE ARG A 37 3.952 -5.595 7.127 1.00 0.00 N ATOM 161 CZ ARG A 37 2.764 -5.664 7.705 1.00 0.00 C ATOM 162 NH1 ARG A 37 1.883 -6.586 7.442 1.00 0.00 N ATOM 163 NH2 ARG A 37 2.414 -4.768 8.578 1.00 0.00 N ATOM 0 H ARG A 37 1.611 -5.451 3.223 1.00 0.00 H new ATOM 0 HA ARG A 37 3.185 -7.144 1.418 1.00 0.00 H new ATOM 0 HB2 ARG A 37 4.713 -7.344 3.529 1.00 0.00 H new ATOM 0 HB3 ARG A 37 4.709 -5.734 2.837 1.00 0.00 H new ATOM 0 HG2 ARG A 37 3.609 -4.804 4.630 1.00 0.00 H new ATOM 0 HG3 ARG A 37 2.561 -6.192 4.845 1.00 0.00 H new ATOM 0 HD2 ARG A 37 4.316 -7.392 6.073 1.00 0.00 H new ATOM 0 HD3 ARG A 37 5.470 -6.113 5.749 1.00 0.00 H new ATOM 0 HE ARG A 37 4.630 -4.971 7.565 1.00 0.00 H new ATOM 0 HH11 ARG A 37 2.092 -7.310 6.755 1.00 0.00 H new ATOM 0 HH12 ARG A 37 0.983 -6.584 7.923 1.00 0.00 H new ATOM 0 HH21 ARG A 37 3.055 -4.012 8.818 1.00 0.00 H new ATOM 0 HH22 ARG A 37 1.498 -4.821 9.024 1.00 0.00 H new ATOM 177 N PRO A 38 0.912 -8.334 2.998 1.00 0.00 N ATOM 178 CA PRO A 38 0.310 -9.567 3.514 1.00 0.00 C ATOM 179 C PRO A 38 0.463 -10.756 2.557 1.00 0.00 C ATOM 180 O PRO A 38 0.535 -11.909 2.988 1.00 0.00 O ATOM 181 CB PRO A 38 -1.176 -9.240 3.692 1.00 0.00 C ATOM 182 CG PRO A 38 -1.429 -8.234 2.588 1.00 0.00 C ATOM 183 CD PRO A 38 -0.142 -7.418 2.595 1.00 0.00 C ATOM 0 HA PRO A 38 0.804 -9.867 4.438 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -1.802 -10.126 3.584 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -1.384 -8.822 4.677 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -1.599 -8.719 1.627 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -2.304 -7.617 2.792 1.00 0.00 H new ATOM 0 HD2 PRO A 38 0.060 -7.000 1.609 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -0.216 -6.579 3.287 1.00 0.00 H new ATOM 191 N PHE A 39 0.464 -10.458 1.268 1.00 0.00 N ATOM 192 CA PHE A 39 0.374 -11.411 0.171 1.00 0.00 C ATOM 193 C PHE A 39 1.715 -12.088 -0.133 1.00 0.00 C ATOM 194 O PHE A 39 2.775 -11.517 0.131 1.00 0.00 O ATOM 195 CB PHE A 39 -0.078 -10.674 -1.098 1.00 0.00 C ATOM 196 CG PHE A 39 -0.664 -9.281 -0.937 1.00 0.00 C ATOM 197 CD1 PHE A 39 0.195 -8.163 -0.893 1.00 0.00 C ATOM 198 CD2 PHE A 39 -2.060 -9.088 -0.878 1.00 0.00 C ATOM 199 CE1 PHE A 39 -0.347 -6.877 -0.959 1.00 0.00 C ATOM 200 CE2 PHE A 39 -2.592 -7.788 -0.893 1.00 0.00 C ATOM 201 CZ PHE A 39 -1.738 -6.682 -0.973 1.00 0.00 C ATOM 0 H PHE A 39 0.531 -9.494 0.940 1.00 0.00 H new ATOM 0 HA PHE A 39 -0.338 -12.179 0.472 1.00 0.00 H new ATOM 0 HB2 PHE A 39 0.780 -10.601 -1.767 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -0.821 -11.294 -1.599 1.00 0.00 H new ATOM 0 HD1 PHE A 39 1.263 -8.300 -0.809 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -2.721 -9.941 -0.821 1.00 0.00 H new ATOM 0 HE1 PHE A 39 0.312 -6.022 -1.000 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -3.661 -7.642 -0.843 1.00 0.00 H new ATOM 0 HZ PHE A 39 -2.146 -5.685 -1.045 1.00 0.00 H new ATOM 211 N PRO A 40 1.691 -13.270 -0.770 1.00 0.00 N ATOM 212 CA PRO A 40 2.876 -13.851 -1.382 1.00 0.00 C ATOM 213 C PRO A 40 3.114 -13.230 -2.780 1.00 0.00 C ATOM 214 O PRO A 40 2.608 -12.150 -3.091 1.00 0.00 O ATOM 215 CB PRO A 40 2.573 -15.358 -1.424 1.00 0.00 C ATOM 216 CG PRO A 40 1.060 -15.395 -1.634 1.00 0.00 C ATOM 217 CD PRO A 40 0.555 -14.176 -0.865 1.00 0.00 C ATOM 0 HA PRO A 40 3.798 -13.658 -0.834 1.00 0.00 H new ATOM 0 HB2 PRO A 40 3.106 -15.855 -2.235 1.00 0.00 H new ATOM 0 HB3 PRO A 40 2.865 -15.855 -0.499 1.00 0.00 H new ATOM 0 HG2 PRO A 40 0.801 -15.336 -2.691 1.00 0.00 H new ATOM 0 HG3 PRO A 40 0.625 -16.318 -1.250 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -0.279 -13.704 -1.384 1.00 0.00 H new ATOM 0 HD3 PRO A 40 0.196 -14.459 0.125 1.00 0.00 H new ATOM 225 N LEU A 41 3.873 -13.917 -3.639 1.00 0.00 N ATOM 226 CA LEU A 41 4.114 -13.551 -5.042 1.00 0.00 C ATOM 227 C LEU A 41 2.818 -13.298 -5.852 1.00 0.00 C ATOM 228 O LEU A 41 2.832 -12.592 -6.853 1.00 0.00 O ATOM 229 CB LEU A 41 4.928 -14.669 -5.731 1.00 0.00 C ATOM 230 CG LEU A 41 6.302 -15.072 -5.155 1.00 0.00 C ATOM 231 CD1 LEU A 41 7.149 -13.867 -4.753 1.00 0.00 C ATOM 232 CD2 LEU A 41 6.219 -16.018 -3.950 1.00 0.00 C ATOM 0 H LEU A 41 4.355 -14.774 -3.369 1.00 0.00 H new ATOM 0 HA LEU A 41 4.665 -12.610 -5.025 1.00 0.00 H new ATOM 0 HB2 LEU A 41 4.305 -15.564 -5.748 1.00 0.00 H new ATOM 0 HB3 LEU A 41 5.083 -14.369 -6.767 1.00 0.00 H new ATOM 0 HG LEU A 41 6.778 -15.602 -5.980 1.00 0.00 H new ATOM 0 HD11 LEU A 41 8.104 -14.210 -4.355 1.00 0.00 H new ATOM 0 HD12 LEU A 41 7.325 -13.238 -5.626 1.00 0.00 H new ATOM 0 HD13 LEU A 41 6.624 -13.291 -3.991 1.00 0.00 H new ATOM 0 HD21 LEU A 41 7.225 -16.255 -3.603 1.00 0.00 H new ATOM 0 HD22 LEU A 41 5.662 -15.536 -3.147 1.00 0.00 H new ATOM 0 HD23 LEU A 41 5.711 -16.937 -4.243 1.00 0.00 H new ATOM 244 N ASP A 42 1.695 -13.862 -5.403 1.00 0.00 N ATOM 245 CA ASP A 42 0.347 -13.769 -5.978 1.00 0.00 C ATOM 246 C ASP A 42 -0.346 -12.386 -5.823 1.00 0.00 C ATOM 247 O ASP A 42 -1.572 -12.304 -5.716 1.00 0.00 O ATOM 248 CB ASP A 42 -0.510 -14.910 -5.406 1.00 0.00 C ATOM 249 CG ASP A 42 0.085 -16.303 -5.681 1.00 0.00 C ATOM 250 OD1 ASP A 42 0.962 -16.761 -4.910 1.00 0.00 O ATOM 251 OD2 ASP A 42 -0.335 -16.953 -6.676 1.00 0.00 O ATOM 0 H ASP A 42 1.703 -14.441 -4.563 1.00 0.00 H new ATOM 0 HA ASP A 42 0.454 -13.874 -7.058 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -0.617 -14.772 -4.330 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -1.510 -14.857 -5.836 1.00 0.00 H new ATOM 256 N VAL A 43 0.423 -11.291 -5.810 1.00 0.00 N ATOM 257 CA VAL A 43 -0.069 -9.904 -5.914 1.00 0.00 C ATOM 258 C VAL A 43 0.672 -9.134 -7.004 1.00 0.00 C ATOM 259 O VAL A 43 1.885 -9.266 -7.163 1.00 0.00 O ATOM 260 CB VAL A 43 -0.027 -9.155 -4.575 1.00 0.00 C ATOM 261 CG1 VAL A 43 1.394 -8.757 -4.150 1.00 0.00 C ATOM 262 CG2 VAL A 43 -0.926 -7.905 -4.624 1.00 0.00 C ATOM 0 H VAL A 43 1.438 -11.343 -5.724 1.00 0.00 H new ATOM 0 HA VAL A 43 -1.119 -9.969 -6.198 1.00 0.00 H new ATOM 0 HB VAL A 43 -0.403 -9.851 -3.825 1.00 0.00 H new ATOM 0 HG11 VAL A 43 1.355 -8.231 -3.196 1.00 0.00 H new ATOM 0 HG12 VAL A 43 2.007 -9.652 -4.046 1.00 0.00 H new ATOM 0 HG13 VAL A 43 1.831 -8.104 -4.906 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -0.883 -7.388 -3.665 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -0.578 -7.238 -5.413 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -1.954 -8.204 -4.829 1.00 0.00 H new ATOM 272 N GLN A 44 -0.071 -8.326 -7.750 1.00 0.00 N ATOM 273 CA GLN A 44 0.377 -7.662 -8.976 1.00 0.00 C ATOM 274 C GLN A 44 -0.355 -6.329 -9.126 1.00 0.00 C ATOM 275 O GLN A 44 -1.334 -6.052 -8.427 1.00 0.00 O ATOM 276 CB GLN A 44 0.080 -8.540 -10.214 1.00 0.00 C ATOM 277 CG GLN A 44 0.652 -9.970 -10.216 1.00 0.00 C ATOM 278 CD GLN A 44 2.176 -10.022 -10.112 1.00 0.00 C ATOM 279 OE1 GLN A 44 2.904 -9.217 -10.678 1.00 0.00 O ATOM 280 NE2 GLN A 44 2.723 -10.966 -9.374 1.00 0.00 N ATOM 0 H GLN A 44 -1.038 -8.105 -7.512 1.00 0.00 H new ATOM 0 HA GLN A 44 1.452 -7.498 -8.908 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -1.002 -8.609 -10.328 1.00 0.00 H new ATOM 0 HB3 GLN A 44 0.461 -8.023 -11.094 1.00 0.00 H new ATOM 0 HG2 GLN A 44 0.221 -10.526 -9.383 1.00 0.00 H new ATOM 0 HG3 GLN A 44 0.342 -10.475 -11.131 1.00 0.00 H new ATOM 0 HE21 GLN A 44 2.132 -11.646 -8.895 1.00 0.00 H new ATOM 0 HE22 GLN A 44 3.737 -11.017 -9.282 1.00 0.00 H new ATOM 289 N GLU A 45 0.089 -5.503 -10.076 1.00 0.00 N ATOM 290 CA GLU A 45 -0.529 -4.203 -10.342 1.00 0.00 C ATOM 291 C GLU A 45 -2.037 -4.312 -10.620 1.00 0.00 C ATOM 292 O GLU A 45 -2.778 -3.423 -10.229 1.00 0.00 O ATOM 293 CB GLU A 45 0.205 -3.505 -11.507 1.00 0.00 C ATOM 294 CG GLU A 45 0.731 -2.116 -11.132 1.00 0.00 C ATOM 295 CD GLU A 45 -0.401 -1.094 -10.963 1.00 0.00 C ATOM 296 OE1 GLU A 45 -1.035 -1.080 -9.881 1.00 0.00 O ATOM 297 OE2 GLU A 45 -0.654 -0.311 -11.909 1.00 0.00 O ATOM 0 H GLU A 45 0.883 -5.715 -10.680 1.00 0.00 H new ATOM 0 HA GLU A 45 -0.429 -3.597 -9.441 1.00 0.00 H new ATOM 0 HB2 GLU A 45 1.038 -4.129 -11.831 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -0.473 -3.414 -12.355 1.00 0.00 H new ATOM 0 HG2 GLU A 45 1.299 -2.183 -10.204 1.00 0.00 H new ATOM 0 HG3 GLU A 45 1.419 -1.769 -11.903 1.00 0.00 H new ATOM 304 N SER A 46 -2.546 -5.408 -11.187 1.00 0.00 N ATOM 305 CA SER A 46 -3.995 -5.635 -11.326 1.00 0.00 C ATOM 306 C SER A 46 -4.752 -5.776 -9.992 1.00 0.00 C ATOM 307 O SER A 46 -5.891 -5.315 -9.870 1.00 0.00 O ATOM 308 CB SER A 46 -4.253 -6.864 -12.209 1.00 0.00 C ATOM 309 OG SER A 46 -3.366 -7.935 -11.927 1.00 0.00 O ATOM 0 H SER A 46 -1.972 -6.163 -11.563 1.00 0.00 H new ATOM 0 HA SER A 46 -4.390 -4.735 -11.796 1.00 0.00 H new ATOM 0 HB2 SER A 46 -5.280 -7.200 -12.066 1.00 0.00 H new ATOM 0 HB3 SER A 46 -4.153 -6.581 -13.257 1.00 0.00 H new ATOM 0 HG SER A 46 -3.781 -8.541 -11.278 1.00 0.00 H new ATOM 315 N GLU A 47 -4.138 -6.341 -8.947 1.00 0.00 N ATOM 316 CA GLU A 47 -4.751 -6.571 -7.647 1.00 0.00 C ATOM 317 C GLU A 47 -4.693 -5.284 -6.830 1.00 0.00 C ATOM 318 O GLU A 47 -5.648 -4.869 -6.176 1.00 0.00 O ATOM 319 CB GLU A 47 -3.911 -7.642 -6.942 1.00 0.00 C ATOM 320 CG GLU A 47 -4.286 -9.068 -7.348 1.00 0.00 C ATOM 321 CD GLU A 47 -3.650 -9.516 -8.671 1.00 0.00 C ATOM 322 OE1 GLU A 47 -4.237 -9.279 -9.755 1.00 0.00 O ATOM 323 OE2 GLU A 47 -2.566 -10.142 -8.619 1.00 0.00 O ATOM 0 H GLU A 47 -3.170 -6.659 -8.991 1.00 0.00 H new ATOM 0 HA GLU A 47 -5.790 -6.884 -7.753 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -2.858 -7.473 -7.165 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -4.029 -7.535 -5.864 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -3.982 -9.754 -6.557 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -5.370 -9.140 -7.433 1.00 0.00 H new ATOM 330 N LEU A 48 -3.558 -4.602 -6.947 1.00 0.00 N ATOM 331 CA LEU A 48 -3.374 -3.276 -6.410 1.00 0.00 C ATOM 332 C LEU A 48 -4.301 -2.286 -7.142 1.00 0.00 C ATOM 333 O LEU A 48 -4.881 -1.418 -6.511 1.00 0.00 O ATOM 334 CB LEU A 48 -1.878 -2.971 -6.508 1.00 0.00 C ATOM 335 CG LEU A 48 -1.001 -3.970 -5.720 1.00 0.00 C ATOM 336 CD1 LEU A 48 0.338 -4.303 -6.350 1.00 0.00 C ATOM 337 CD2 LEU A 48 -0.633 -3.376 -4.386 1.00 0.00 C ATOM 0 H LEU A 48 -2.735 -4.968 -7.425 1.00 0.00 H new ATOM 0 HA LEU A 48 -3.660 -3.187 -5.362 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -1.579 -2.983 -7.556 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -1.694 -1.963 -6.136 1.00 0.00 H new ATOM 0 HG LEU A 48 -1.614 -4.870 -5.677 1.00 0.00 H new ATOM 0 HD11 LEU A 48 0.872 -5.011 -5.717 1.00 0.00 H new ATOM 0 HD12 LEU A 48 0.178 -4.745 -7.333 1.00 0.00 H new ATOM 0 HD13 LEU A 48 0.928 -3.392 -6.453 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -0.015 -4.082 -3.832 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -0.078 -2.451 -4.540 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -1.540 -3.165 -3.819 1.00 0.00 H new ATOM 349 N ASN A 49 -4.582 -2.466 -8.435 1.00 0.00 N ATOM 350 CA ASN A 49 -5.630 -1.693 -9.136 1.00 0.00 C ATOM 351 C ASN A 49 -7.028 -1.956 -8.545 1.00 0.00 C ATOM 352 O ASN A 49 -7.776 -1.008 -8.309 1.00 0.00 O ATOM 353 CB ASN A 49 -5.648 -1.954 -10.649 1.00 0.00 C ATOM 354 CG ASN A 49 -4.851 -0.931 -11.439 1.00 0.00 C ATOM 355 OD1 ASN A 49 -5.385 -0.052 -12.103 1.00 0.00 O ATOM 356 ND2 ASN A 49 -3.553 -1.028 -11.393 1.00 0.00 N ATOM 0 H ASN A 49 -4.100 -3.142 -9.027 1.00 0.00 H new ATOM 0 HA ASN A 49 -5.374 -0.645 -8.981 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -5.247 -2.948 -10.845 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -6.680 -1.952 -11.000 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -2.974 -0.369 -11.913 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -3.116 -1.763 -10.837 1.00 0.00 H new ATOM 363 N GLU A 50 -7.382 -3.215 -8.276 1.00 0.00 N ATOM 364 CA GLU A 50 -8.651 -3.558 -7.612 1.00 0.00 C ATOM 365 C GLU A 50 -8.810 -2.900 -6.228 1.00 0.00 C ATOM 366 O GLU A 50 -9.911 -2.483 -5.860 1.00 0.00 O ATOM 367 CB GLU A 50 -8.771 -5.080 -7.463 1.00 0.00 C ATOM 368 CG GLU A 50 -9.262 -5.757 -8.747 1.00 0.00 C ATOM 369 CD GLU A 50 -9.418 -7.279 -8.549 1.00 0.00 C ATOM 370 OE1 GLU A 50 -8.416 -7.975 -8.259 1.00 0.00 O ATOM 371 OE2 GLU A 50 -10.553 -7.798 -8.697 1.00 0.00 O ATOM 0 H GLU A 50 -6.805 -4.023 -8.509 1.00 0.00 H new ATOM 0 HA GLU A 50 -9.446 -3.170 -8.249 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -7.801 -5.493 -7.186 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -9.459 -5.309 -6.649 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -10.218 -5.326 -9.046 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -8.558 -5.563 -9.556 1.00 0.00 H new ATOM 378 N ILE A 51 -7.718 -2.797 -5.463 1.00 0.00 N ATOM 379 CA ILE A 51 -7.732 -2.341 -4.063 1.00 0.00 C ATOM 380 C ILE A 51 -7.511 -0.822 -3.925 1.00 0.00 C ATOM 381 O ILE A 51 -8.109 -0.203 -3.052 1.00 0.00 O ATOM 382 CB ILE A 51 -6.663 -3.143 -3.296 1.00 0.00 C ATOM 383 CG1 ILE A 51 -7.045 -4.641 -3.204 1.00 0.00 C ATOM 384 CG2 ILE A 51 -6.403 -2.587 -1.877 1.00 0.00 C ATOM 385 CD1 ILE A 51 -5.873 -5.548 -2.798 1.00 0.00 C ATOM 0 H ILE A 51 -6.784 -3.031 -5.801 1.00 0.00 H new ATOM 0 HA ILE A 51 -8.720 -2.522 -3.639 1.00 0.00 H new ATOM 0 HB ILE A 51 -5.741 -3.039 -3.868 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -7.852 -4.758 -2.481 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -7.431 -4.969 -4.169 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -5.641 -3.191 -1.384 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -6.059 -1.555 -1.948 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -7.326 -2.622 -1.298 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -6.212 -6.583 -2.753 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -5.073 -5.460 -3.533 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -5.501 -5.246 -1.819 1.00 0.00 H new ATOM 397 N PHE A 52 -6.692 -0.215 -4.793 1.00 0.00 N ATOM 398 CA PHE A 52 -6.245 1.186 -4.713 1.00 0.00 C ATOM 399 C PHE A 52 -6.886 2.097 -5.771 1.00 0.00 C ATOM 400 O PHE A 52 -6.934 3.317 -5.595 1.00 0.00 O ATOM 401 CB PHE A 52 -4.733 1.298 -4.843 1.00 0.00 C ATOM 402 CG PHE A 52 -3.935 0.684 -3.717 1.00 0.00 C ATOM 403 CD1 PHE A 52 -3.859 -0.712 -3.586 1.00 0.00 C ATOM 404 CD2 PHE A 52 -3.209 1.506 -2.842 1.00 0.00 C ATOM 405 CE1 PHE A 52 -2.989 -1.293 -2.668 1.00 0.00 C ATOM 406 CE2 PHE A 52 -2.295 0.924 -1.957 1.00 0.00 C ATOM 407 CZ PHE A 52 -2.136 -0.468 -1.929 1.00 0.00 C ATOM 0 H PHE A 52 -6.307 -0.703 -5.602 1.00 0.00 H new ATOM 0 HA PHE A 52 -6.569 1.524 -3.729 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -4.431 0.827 -5.778 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -4.470 2.353 -4.918 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -4.482 -1.341 -4.204 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -3.354 2.576 -2.852 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -2.973 -2.364 -2.529 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -1.712 1.548 -1.295 1.00 0.00 H new ATOM 0 HZ PHE A 52 -1.349 -0.906 -1.333 1.00 0.00 H new ATOM 417 N GLY A 53 -7.431 1.516 -6.843 1.00 0.00 N ATOM 418 CA GLY A 53 -8.280 2.210 -7.812 1.00 0.00 C ATOM 419 C GLY A 53 -9.447 3.003 -7.192 1.00 0.00 C ATOM 420 O GLY A 53 -9.758 4.072 -7.721 1.00 0.00 O ATOM 0 H GLY A 53 -7.291 0.530 -7.065 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -7.661 2.894 -8.393 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -8.686 1.477 -8.510 1.00 0.00 H new ATOM 424 N PRO A 54 -10.073 2.580 -6.063 1.00 0.00 N ATOM 425 CA PRO A 54 -11.052 3.410 -5.356 1.00 0.00 C ATOM 426 C PRO A 54 -10.487 4.733 -4.801 1.00 0.00 C ATOM 427 O PRO A 54 -11.244 5.687 -4.614 1.00 0.00 O ATOM 428 CB PRO A 54 -11.593 2.542 -4.201 1.00 0.00 C ATOM 429 CG PRO A 54 -11.253 1.112 -4.619 1.00 0.00 C ATOM 430 CD PRO A 54 -9.929 1.316 -5.337 1.00 0.00 C ATOM 0 HA PRO A 54 -11.824 3.716 -6.062 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -11.123 2.803 -3.253 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -12.667 2.675 -4.072 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -11.157 0.445 -3.762 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -12.013 0.683 -5.273 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -9.101 1.361 -4.630 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -9.721 0.492 -6.020 1.00 0.00 H new ATOM 438 N PHE A 55 -9.176 4.808 -4.534 1.00 0.00 N ATOM 439 CA PHE A 55 -8.539 5.979 -3.923 1.00 0.00 C ATOM 440 C PHE A 55 -8.189 7.028 -4.970 1.00 0.00 C ATOM 441 O PHE A 55 -8.520 8.208 -4.822 1.00 0.00 O ATOM 442 CB PHE A 55 -7.242 5.579 -3.194 1.00 0.00 C ATOM 443 CG PHE A 55 -7.287 4.337 -2.339 1.00 0.00 C ATOM 444 CD1 PHE A 55 -8.490 3.925 -1.742 1.00 0.00 C ATOM 445 CD2 PHE A 55 -6.128 3.548 -2.212 1.00 0.00 C ATOM 446 CE1 PHE A 55 -8.546 2.717 -1.040 1.00 0.00 C ATOM 447 CE2 PHE A 55 -6.163 2.393 -1.404 1.00 0.00 C ATOM 448 CZ PHE A 55 -7.378 1.970 -0.840 1.00 0.00 C ATOM 0 H PHE A 55 -8.524 4.051 -4.738 1.00 0.00 H new ATOM 0 HA PHE A 55 -9.255 6.394 -3.214 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -6.461 5.446 -3.943 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -6.939 6.414 -2.562 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -9.373 4.542 -1.825 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -5.221 3.825 -2.729 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -9.489 2.360 -0.652 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -5.257 1.835 -1.219 1.00 0.00 H new ATOM 0 HZ PHE A 55 -7.412 1.066 -0.250 1.00 0.00 H new ATOM 458 N GLY A 56 -7.523 6.564 -6.032 1.00 0.00 N ATOM 459 CA GLY A 56 -7.264 7.315 -7.241 1.00 0.00 C ATOM 460 C GLY A 56 -5.778 7.561 -7.560 1.00 0.00 C ATOM 461 O GLY A 56 -5.266 6.923 -8.479 1.00 0.00 O ATOM 0 H GLY A 56 -7.140 5.619 -6.064 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -7.716 6.787 -8.081 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -7.766 8.279 -7.164 1.00 0.00 H new ATOM 465 N PRO A 57 -5.065 8.454 -6.834 1.00 0.00 N ATOM 466 CA PRO A 57 -3.678 8.865 -7.140 1.00 0.00 C ATOM 467 C PRO A 57 -2.541 7.828 -6.972 1.00 0.00 C ATOM 468 O PRO A 57 -1.436 8.237 -6.614 1.00 0.00 O ATOM 469 CB PRO A 57 -3.418 10.111 -6.276 1.00 0.00 C ATOM 470 CG PRO A 57 -4.809 10.674 -6.037 1.00 0.00 C ATOM 471 CD PRO A 57 -5.626 9.396 -5.865 1.00 0.00 C ATOM 0 HA PRO A 57 -3.636 9.034 -8.216 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -2.923 9.854 -5.340 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -2.777 10.828 -6.789 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -4.849 11.309 -5.152 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -5.159 11.275 -6.876 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -5.546 9.011 -4.849 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -6.684 9.575 -6.056 1.00 0.00 H new ATOM 479 N MET A 58 -2.767 6.523 -7.201 1.00 0.00 N ATOM 480 CA MET A 58 -1.764 5.425 -7.285 1.00 0.00 C ATOM 481 C MET A 58 -0.670 5.642 -8.352 1.00 0.00 C ATOM 482 O MET A 58 -0.582 4.981 -9.387 1.00 0.00 O ATOM 483 CB MET A 58 -2.421 4.045 -7.353 1.00 0.00 C ATOM 484 CG MET A 58 -3.507 3.883 -8.423 1.00 0.00 C ATOM 485 SD MET A 58 -4.353 2.274 -8.460 1.00 0.00 S ATOM 486 CE MET A 58 -3.004 1.153 -7.997 1.00 0.00 C ATOM 0 H MET A 58 -3.715 6.175 -7.343 1.00 0.00 H new ATOM 0 HA MET A 58 -1.217 5.459 -6.343 1.00 0.00 H new ATOM 0 HB2 MET A 58 -1.645 3.301 -7.532 1.00 0.00 H new ATOM 0 HB3 MET A 58 -2.858 3.822 -6.380 1.00 0.00 H new ATOM 0 HG2 MET A 58 -4.255 4.662 -8.274 1.00 0.00 H new ATOM 0 HG3 MET A 58 -3.056 4.057 -9.400 1.00 0.00 H new ATOM 0 HE1 MET A 58 -3.338 0.120 -8.098 1.00 0.00 H new ATOM 0 HE2 MET A 58 -2.149 1.323 -8.651 1.00 0.00 H new ATOM 0 HE3 MET A 58 -2.713 1.341 -6.963 1.00 0.00 H new ATOM 496 N LYS A 59 0.164 6.628 -8.039 1.00 0.00 N ATOM 497 CA LYS A 59 1.298 7.171 -8.776 1.00 0.00 C ATOM 498 C LYS A 59 2.440 6.170 -8.936 1.00 0.00 C ATOM 499 O LYS A 59 3.055 6.135 -10.000 1.00 0.00 O ATOM 500 CB LYS A 59 1.647 8.490 -8.057 1.00 0.00 C ATOM 501 CG LYS A 59 3.048 9.078 -8.171 1.00 0.00 C ATOM 502 CD LYS A 59 4.094 8.216 -7.460 1.00 0.00 C ATOM 503 CE LYS A 59 5.134 9.091 -6.785 1.00 0.00 C ATOM 504 NZ LYS A 59 6.507 8.528 -6.907 1.00 0.00 N ATOM 0 H LYS A 59 0.046 7.124 -7.156 1.00 0.00 H new ATOM 0 HA LYS A 59 1.062 7.379 -9.820 1.00 0.00 H new ATOM 0 HB2 LYS A 59 0.949 9.247 -8.414 1.00 0.00 H new ATOM 0 HB3 LYS A 59 1.443 8.343 -6.996 1.00 0.00 H new ATOM 0 HG2 LYS A 59 3.315 9.177 -9.223 1.00 0.00 H new ATOM 0 HG3 LYS A 59 3.055 10.081 -7.745 1.00 0.00 H new ATOM 0 HD2 LYS A 59 3.608 7.581 -6.719 1.00 0.00 H new ATOM 0 HD3 LYS A 59 4.578 7.554 -8.178 1.00 0.00 H new ATOM 0 HE2 LYS A 59 5.111 10.087 -7.227 1.00 0.00 H new ATOM 0 HE3 LYS A 59 4.882 9.205 -5.731 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 7.194 9.198 -6.507 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 6.560 7.627 -6.390 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 6.727 8.364 -7.910 1.00 0.00 H new ATOM 518 N GLU A 60 2.709 5.337 -7.928 1.00 0.00 N ATOM 519 CA GLU A 60 3.678 4.245 -8.019 1.00 0.00 C ATOM 520 C GLU A 60 3.251 3.082 -7.159 1.00 0.00 C ATOM 521 O GLU A 60 2.461 3.217 -6.232 1.00 0.00 O ATOM 522 CB GLU A 60 5.116 4.686 -7.671 1.00 0.00 C ATOM 523 CG GLU A 60 6.021 4.734 -8.908 1.00 0.00 C ATOM 524 CD GLU A 60 7.406 5.292 -8.541 1.00 0.00 C ATOM 525 OE1 GLU A 60 8.305 4.488 -8.186 1.00 0.00 O ATOM 526 OE2 GLU A 60 7.595 6.532 -8.636 1.00 0.00 O ATOM 0 H GLU A 60 2.255 5.403 -7.017 1.00 0.00 H new ATOM 0 HA GLU A 60 3.695 3.928 -9.062 1.00 0.00 H new ATOM 0 HB2 GLU A 60 5.090 5.670 -7.204 1.00 0.00 H new ATOM 0 HB3 GLU A 60 5.539 3.997 -6.940 1.00 0.00 H new ATOM 0 HG2 GLU A 60 6.125 3.734 -9.329 1.00 0.00 H new ATOM 0 HG3 GLU A 60 5.563 5.357 -9.677 1.00 0.00 H new ATOM 533 N VAL A 61 3.760 1.919 -7.543 1.00 0.00 N ATOM 534 CA VAL A 61 3.323 0.623 -7.049 1.00 0.00 C ATOM 535 C VAL A 61 4.537 -0.294 -7.114 1.00 0.00 C ATOM 536 O VAL A 61 4.704 -1.103 -8.032 1.00 0.00 O ATOM 537 CB VAL A 61 2.122 0.105 -7.894 1.00 0.00 C ATOM 538 CG1 VAL A 61 1.342 -0.934 -7.099 1.00 0.00 C ATOM 539 CG2 VAL A 61 1.131 1.179 -8.381 1.00 0.00 C ATOM 0 H VAL A 61 4.512 1.851 -8.229 1.00 0.00 H new ATOM 0 HA VAL A 61 2.961 0.671 -6.022 1.00 0.00 H new ATOM 0 HB VAL A 61 2.582 -0.311 -8.790 1.00 0.00 H new ATOM 0 HG11 VAL A 61 0.503 -1.293 -7.695 1.00 0.00 H new ATOM 0 HG12 VAL A 61 1.996 -1.770 -6.853 1.00 0.00 H new ATOM 0 HG13 VAL A 61 0.968 -0.483 -6.180 1.00 0.00 H new ATOM 0 HG21 VAL A 61 0.337 0.706 -8.958 1.00 0.00 H new ATOM 0 HG22 VAL A 61 0.699 1.692 -7.522 1.00 0.00 H new ATOM 0 HG23 VAL A 61 1.655 1.900 -9.008 1.00 0.00 H new ATOM 549 N LYS A 62 5.480 -0.054 -6.204 1.00 0.00 N ATOM 550 CA LYS A 62 6.772 -0.745 -6.168 1.00 0.00 C ATOM 551 C LYS A 62 6.521 -2.186 -5.720 1.00 0.00 C ATOM 552 O LYS A 62 6.115 -2.390 -4.577 1.00 0.00 O ATOM 553 CB LYS A 62 7.730 0.011 -5.225 1.00 0.00 C ATOM 554 CG LYS A 62 7.781 1.527 -5.522 1.00 0.00 C ATOM 555 CD LYS A 62 8.893 2.245 -4.747 1.00 0.00 C ATOM 556 CE LYS A 62 10.207 2.238 -5.540 1.00 0.00 C ATOM 557 NZ LYS A 62 10.266 3.368 -6.508 1.00 0.00 N ATOM 0 H LYS A 62 5.368 0.635 -5.460 1.00 0.00 H new ATOM 0 HA LYS A 62 7.246 -0.767 -7.150 1.00 0.00 H new ATOM 0 HB2 LYS A 62 7.415 -0.143 -4.193 1.00 0.00 H new ATOM 0 HB3 LYS A 62 8.732 -0.408 -5.318 1.00 0.00 H new ATOM 0 HG2 LYS A 62 7.932 1.679 -6.591 1.00 0.00 H new ATOM 0 HG3 LYS A 62 6.820 1.975 -5.269 1.00 0.00 H new ATOM 0 HD2 LYS A 62 8.593 3.273 -4.542 1.00 0.00 H new ATOM 0 HD3 LYS A 62 9.043 1.758 -3.783 1.00 0.00 H new ATOM 0 HE2 LYS A 62 11.049 2.303 -4.851 1.00 0.00 H new ATOM 0 HE3 LYS A 62 10.305 1.294 -6.075 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 11.006 3.182 -7.215 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 9.347 3.464 -6.986 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 10.486 4.249 -6.001 1.00 0.00 H new ATOM 571 N ILE A 63 6.692 -3.171 -6.593 1.00 0.00 N ATOM 572 CA ILE A 63 6.252 -4.565 -6.375 1.00 0.00 C ATOM 573 C ILE A 63 7.423 -5.549 -6.420 1.00 0.00 C ATOM 574 O ILE A 63 8.183 -5.623 -7.387 1.00 0.00 O ATOM 575 CB ILE A 63 5.115 -4.943 -7.355 1.00 0.00 C ATOM 576 CG1 ILE A 63 3.834 -4.143 -7.021 1.00 0.00 C ATOM 577 CG2 ILE A 63 4.776 -6.446 -7.307 1.00 0.00 C ATOM 578 CD1 ILE A 63 2.897 -3.987 -8.225 1.00 0.00 C ATOM 0 H ILE A 63 7.149 -3.032 -7.494 1.00 0.00 H new ATOM 0 HA ILE A 63 5.843 -4.635 -5.367 1.00 0.00 H new ATOM 0 HB ILE A 63 5.472 -4.700 -8.356 1.00 0.00 H new ATOM 0 HG12 ILE A 63 3.299 -4.643 -6.213 1.00 0.00 H new ATOM 0 HG13 ILE A 63 4.114 -3.155 -6.654 1.00 0.00 H new ATOM 0 HG21 ILE A 63 3.973 -6.661 -8.012 1.00 0.00 H new ATOM 0 HG22 ILE A 63 5.659 -7.027 -7.575 1.00 0.00 H new ATOM 0 HG23 ILE A 63 4.456 -6.715 -6.300 1.00 0.00 H new ATOM 0 HD11 ILE A 63 2.016 -3.417 -7.929 1.00 0.00 H new ATOM 0 HD12 ILE A 63 3.417 -3.461 -9.025 1.00 0.00 H new ATOM 0 HD13 ILE A 63 2.591 -4.972 -8.578 1.00 0.00 H new ATOM 590 N LEU A 64 7.549 -6.286 -5.314 1.00 0.00 N ATOM 591 CA LEU A 64 8.625 -7.191 -4.933 1.00 0.00 C ATOM 592 C LEU A 64 8.028 -8.527 -4.432 1.00 0.00 C ATOM 593 O LEU A 64 6.810 -8.693 -4.387 1.00 0.00 O ATOM 594 CB LEU A 64 9.455 -6.504 -3.831 1.00 0.00 C ATOM 595 CG LEU A 64 10.228 -5.215 -4.181 1.00 0.00 C ATOM 596 CD1 LEU A 64 9.416 -3.966 -4.563 1.00 0.00 C ATOM 597 CD2 LEU A 64 11.140 -4.903 -3.007 1.00 0.00 C ATOM 0 H LEU A 64 6.826 -6.258 -4.595 1.00 0.00 H new ATOM 0 HA LEU A 64 9.267 -7.414 -5.785 1.00 0.00 H new ATOM 0 HB2 LEU A 64 8.781 -6.272 -3.006 1.00 0.00 H new ATOM 0 HB3 LEU A 64 10.176 -7.231 -3.459 1.00 0.00 H new ATOM 0 HG LEU A 64 10.756 -5.440 -5.107 1.00 0.00 H new ATOM 0 HD11 LEU A 64 10.096 -3.143 -4.781 1.00 0.00 H new ATOM 0 HD12 LEU A 64 8.811 -4.181 -5.444 1.00 0.00 H new ATOM 0 HD13 LEU A 64 8.764 -3.688 -3.735 1.00 0.00 H new ATOM 0 HD21 LEU A 64 11.706 -3.995 -3.217 1.00 0.00 H new ATOM 0 HD22 LEU A 64 10.540 -4.757 -2.109 1.00 0.00 H new ATOM 0 HD23 LEU A 64 11.830 -5.732 -2.852 1.00 0.00 H new ATOM 609 N ASN A 65 8.897 -9.458 -4.018 1.00 0.00 N ATOM 610 CA ASN A 65 8.692 -10.877 -3.637 1.00 0.00 C ATOM 611 C ASN A 65 7.674 -11.188 -2.506 1.00 0.00 C ATOM 612 O ASN A 65 7.983 -11.878 -1.530 1.00 0.00 O ATOM 613 CB ASN A 65 10.061 -11.422 -3.223 1.00 0.00 C ATOM 614 CG ASN A 65 11.163 -11.205 -4.248 1.00 0.00 C ATOM 615 OD1 ASN A 65 11.138 -11.738 -5.348 1.00 0.00 O ATOM 616 ND2 ASN A 65 12.146 -10.391 -3.936 1.00 0.00 N ATOM 0 H ASN A 65 9.883 -9.212 -3.929 1.00 0.00 H new ATOM 0 HA ASN A 65 8.247 -11.349 -4.513 1.00 0.00 H new ATOM 0 HB2 ASN A 65 10.357 -10.951 -2.285 1.00 0.00 H new ATOM 0 HB3 ASN A 65 9.969 -12.490 -3.028 1.00 0.00 H new ATOM 0 HD21 ASN A 65 12.887 -10.204 -4.611 1.00 0.00 H new ATOM 0 HD22 ASN A 65 12.168 -9.946 -3.019 1.00 0.00 H new ATOM 623 N GLY A 66 6.466 -10.654 -2.599 1.00 0.00 N ATOM 624 CA GLY A 66 5.461 -10.656 -1.542 1.00 0.00 C ATOM 625 C GLY A 66 5.239 -9.275 -0.922 1.00 0.00 C ATOM 626 O GLY A 66 4.626 -9.166 0.135 1.00 0.00 O ATOM 0 H GLY A 66 6.144 -10.188 -3.447 1.00 0.00 H new ATOM 0 HA2 GLY A 66 4.517 -11.022 -1.947 1.00 0.00 H new ATOM 0 HA3 GLY A 66 5.765 -11.354 -0.761 1.00 0.00 H new ATOM 630 N PHE A 67 5.739 -8.211 -1.567 1.00 0.00 N ATOM 631 CA PHE A 67 5.596 -6.847 -1.055 1.00 0.00 C ATOM 632 C PHE A 67 5.167 -5.878 -2.149 1.00 0.00 C ATOM 633 O PHE A 67 5.611 -5.954 -3.294 1.00 0.00 O ATOM 634 CB PHE A 67 6.901 -6.357 -0.408 1.00 0.00 C ATOM 635 CG PHE A 67 7.624 -7.367 0.457 1.00 0.00 C ATOM 636 CD1 PHE A 67 8.511 -8.290 -0.117 1.00 0.00 C ATOM 637 CD2 PHE A 67 7.393 -7.404 1.847 1.00 0.00 C ATOM 638 CE1 PHE A 67 9.125 -9.277 0.668 1.00 0.00 C ATOM 639 CE2 PHE A 67 8.017 -8.381 2.643 1.00 0.00 C ATOM 640 CZ PHE A 67 8.877 -9.323 2.051 1.00 0.00 C ATOM 0 H PHE A 67 6.248 -8.273 -2.449 1.00 0.00 H new ATOM 0 HA PHE A 67 4.815 -6.874 -0.295 1.00 0.00 H new ATOM 0 HB2 PHE A 67 7.578 -6.033 -1.199 1.00 0.00 H new ATOM 0 HB3 PHE A 67 6.677 -5.480 0.199 1.00 0.00 H new ATOM 0 HD1 PHE A 67 8.723 -8.240 -1.175 1.00 0.00 H new ATOM 0 HD2 PHE A 67 6.734 -6.679 2.302 1.00 0.00 H new ATOM 0 HE1 PHE A 67 9.786 -9.999 0.212 1.00 0.00 H new ATOM 0 HE2 PHE A 67 7.836 -8.408 3.707 1.00 0.00 H new ATOM 0 HZ PHE A 67 9.347 -10.082 2.659 1.00 0.00 H new ATOM 650 N ALA A 68 4.351 -4.917 -1.759 1.00 0.00 N ATOM 651 CA ALA A 68 3.958 -3.750 -2.526 1.00 0.00 C ATOM 652 C ALA A 68 4.199 -2.532 -1.642 1.00 0.00 C ATOM 653 O ALA A 68 3.801 -2.490 -0.479 1.00 0.00 O ATOM 654 CB ALA A 68 2.506 -3.883 -2.974 1.00 0.00 C ATOM 0 H ALA A 68 3.916 -4.932 -0.836 1.00 0.00 H new ATOM 0 HA ALA A 68 4.544 -3.646 -3.439 1.00 0.00 H new ATOM 0 HB1 ALA A 68 2.220 -3.002 -3.549 1.00 0.00 H new ATOM 0 HB2 ALA A 68 2.397 -4.772 -3.595 1.00 0.00 H new ATOM 0 HB3 ALA A 68 1.862 -3.970 -2.099 1.00 0.00 H new ATOM 660 N PHE A 69 4.856 -1.537 -2.215 1.00 0.00 N ATOM 661 CA PHE A 69 5.051 -0.236 -1.607 1.00 0.00 C ATOM 662 C PHE A 69 4.459 0.751 -2.594 1.00 0.00 C ATOM 663 O PHE A 69 5.112 1.254 -3.515 1.00 0.00 O ATOM 664 CB PHE A 69 6.514 0.041 -1.214 1.00 0.00 C ATOM 665 CG PHE A 69 7.298 -1.174 -0.745 1.00 0.00 C ATOM 666 CD1 PHE A 69 7.796 -2.060 -1.715 1.00 0.00 C ATOM 667 CD2 PHE A 69 7.508 -1.456 0.610 1.00 0.00 C ATOM 668 CE1 PHE A 69 8.455 -3.227 -1.328 1.00 0.00 C ATOM 669 CE2 PHE A 69 8.236 -2.603 0.994 1.00 0.00 C ATOM 670 CZ PHE A 69 8.720 -3.489 0.016 1.00 0.00 C ATOM 0 H PHE A 69 5.279 -1.616 -3.140 1.00 0.00 H new ATOM 0 HA PHE A 69 4.548 -0.157 -0.643 1.00 0.00 H new ATOM 0 HB2 PHE A 69 7.028 0.477 -2.071 1.00 0.00 H new ATOM 0 HB3 PHE A 69 6.525 0.789 -0.421 1.00 0.00 H new ATOM 0 HD1 PHE A 69 7.668 -1.837 -2.764 1.00 0.00 H new ATOM 0 HD2 PHE A 69 7.111 -0.793 1.365 1.00 0.00 H new ATOM 0 HE1 PHE A 69 8.764 -3.938 -2.080 1.00 0.00 H new ATOM 0 HE2 PHE A 69 8.421 -2.800 2.040 1.00 0.00 H new ATOM 0 HZ PHE A 69 9.290 -4.361 0.302 1.00 0.00 H new ATOM 680 N VAL A 70 3.144 0.888 -2.500 1.00 0.00 N ATOM 681 CA VAL A 70 2.397 1.849 -3.299 1.00 0.00 C ATOM 682 C VAL A 70 2.767 3.243 -2.815 1.00 0.00 C ATOM 683 O VAL A 70 3.288 3.422 -1.716 1.00 0.00 O ATOM 684 CB VAL A 70 0.899 1.492 -3.337 1.00 0.00 C ATOM 685 CG1 VAL A 70 0.159 1.984 -4.569 1.00 0.00 C ATOM 686 CG2 VAL A 70 0.719 -0.008 -3.530 1.00 0.00 C ATOM 0 H VAL A 70 2.565 0.336 -1.867 1.00 0.00 H new ATOM 0 HA VAL A 70 2.668 1.818 -4.354 1.00 0.00 H new ATOM 0 HB VAL A 70 0.526 1.928 -2.410 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -0.888 1.686 -4.508 1.00 0.00 H new ATOM 0 HG12 VAL A 70 0.225 3.071 -4.623 1.00 0.00 H new ATOM 0 HG13 VAL A 70 0.608 1.549 -5.461 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -0.344 -0.247 -3.555 1.00 0.00 H new ATOM 0 HG22 VAL A 70 1.181 -0.312 -4.469 1.00 0.00 H new ATOM 0 HG23 VAL A 70 1.191 -0.540 -2.704 1.00 0.00 H new ATOM 696 N GLU A 71 2.571 4.248 -3.644 1.00 0.00 N ATOM 697 CA GLU A 71 3.089 5.585 -3.407 1.00 0.00 C ATOM 698 C GLU A 71 2.210 6.577 -4.142 1.00 0.00 C ATOM 699 O GLU A 71 1.807 6.326 -5.287 1.00 0.00 O ATOM 700 CB GLU A 71 4.503 5.649 -3.995 1.00 0.00 C ATOM 701 CG GLU A 71 5.180 6.984 -3.674 1.00 0.00 C ATOM 702 CD GLU A 71 6.661 6.996 -4.061 1.00 0.00 C ATOM 703 OE1 GLU A 71 7.016 6.471 -5.142 1.00 0.00 O ATOM 704 OE2 GLU A 71 7.465 7.616 -3.334 1.00 0.00 O ATOM 0 H GLU A 71 2.042 4.161 -4.512 1.00 0.00 H new ATOM 0 HA GLU A 71 3.103 5.816 -2.342 1.00 0.00 H new ATOM 0 HB2 GLU A 71 5.102 4.830 -3.597 1.00 0.00 H new ATOM 0 HB3 GLU A 71 4.456 5.513 -5.076 1.00 0.00 H new ATOM 0 HG2 GLU A 71 4.663 7.786 -4.201 1.00 0.00 H new ATOM 0 HG3 GLU A 71 5.084 7.190 -2.608 1.00 0.00 H new ATOM 711 N PHE A 72 1.982 7.725 -3.514 1.00 0.00 N ATOM 712 CA PHE A 72 1.214 8.812 -4.097 1.00 0.00 C ATOM 713 C PHE A 72 2.004 10.125 -4.114 1.00 0.00 C ATOM 714 O PHE A 72 3.007 10.276 -3.415 1.00 0.00 O ATOM 715 CB PHE A 72 -0.135 8.955 -3.386 1.00 0.00 C ATOM 716 CG PHE A 72 -0.934 7.692 -3.081 1.00 0.00 C ATOM 717 CD1 PHE A 72 -1.092 6.655 -4.018 1.00 0.00 C ATOM 718 CD2 PHE A 72 -1.616 7.602 -1.868 1.00 0.00 C ATOM 719 CE1 PHE A 72 -1.939 5.563 -3.747 1.00 0.00 C ATOM 720 CE2 PHE A 72 -2.483 6.536 -1.597 1.00 0.00 C ATOM 721 CZ PHE A 72 -2.656 5.519 -2.543 1.00 0.00 C ATOM 0 H PHE A 72 2.330 7.926 -2.577 1.00 0.00 H new ATOM 0 HA PHE A 72 1.015 8.565 -5.140 1.00 0.00 H new ATOM 0 HB2 PHE A 72 0.041 9.472 -2.443 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -0.763 9.606 -3.994 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -0.558 6.697 -4.956 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -1.473 8.370 -1.122 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -2.036 4.762 -4.465 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -3.017 6.499 -0.659 1.00 0.00 H new ATOM 0 HZ PHE A 72 -3.338 4.705 -2.347 1.00 0.00 H new ATOM 731 N GLU A 73 1.544 11.090 -4.911 1.00 0.00 N ATOM 732 CA GLU A 73 2.175 12.418 -5.040 1.00 0.00 C ATOM 733 C GLU A 73 1.411 13.518 -4.266 1.00 0.00 C ATOM 734 O GLU A 73 1.714 14.707 -4.392 1.00 0.00 O ATOM 735 CB GLU A 73 2.390 12.776 -6.520 1.00 0.00 C ATOM 736 CG GLU A 73 1.105 12.790 -7.354 1.00 0.00 C ATOM 737 CD GLU A 73 1.426 13.071 -8.834 1.00 0.00 C ATOM 738 OE1 GLU A 73 1.537 14.260 -9.222 1.00 0.00 O ATOM 739 OE2 GLU A 73 1.564 12.105 -9.628 1.00 0.00 O ATOM 0 H GLU A 73 0.715 10.977 -5.494 1.00 0.00 H new ATOM 0 HA GLU A 73 3.157 12.363 -4.569 1.00 0.00 H new ATOM 0 HB2 GLU A 73 2.860 13.758 -6.581 1.00 0.00 H new ATOM 0 HB3 GLU A 73 3.087 12.061 -6.958 1.00 0.00 H new ATOM 0 HG2 GLU A 73 0.594 11.831 -7.262 1.00 0.00 H new ATOM 0 HG3 GLU A 73 0.425 13.551 -6.972 1.00 0.00 H new ATOM 746 N GLU A 74 0.403 13.131 -3.479 1.00 0.00 N ATOM 747 CA GLU A 74 -0.580 14.026 -2.853 1.00 0.00 C ATOM 748 C GLU A 74 -1.035 13.449 -1.495 1.00 0.00 C ATOM 749 O GLU A 74 -1.239 12.244 -1.371 1.00 0.00 O ATOM 750 CB GLU A 74 -1.719 14.156 -3.892 1.00 0.00 C ATOM 751 CG GLU A 74 -2.728 15.273 -3.620 1.00 0.00 C ATOM 752 CD GLU A 74 -3.635 14.940 -2.436 1.00 0.00 C ATOM 753 OE1 GLU A 74 -4.253 13.852 -2.443 1.00 0.00 O ATOM 754 OE2 GLU A 74 -3.686 15.746 -1.474 1.00 0.00 O ATOM 0 H GLU A 74 0.241 12.150 -3.251 1.00 0.00 H new ATOM 0 HA GLU A 74 -0.183 15.012 -2.614 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -1.276 14.321 -4.874 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -2.255 13.208 -3.939 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -2.196 16.203 -3.420 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -3.336 15.438 -4.509 1.00 0.00 H new ATOM 761 N ALA A 75 -1.166 14.264 -0.444 1.00 0.00 N ATOM 762 CA ALA A 75 -1.362 13.754 0.919 1.00 0.00 C ATOM 763 C ALA A 75 -2.787 13.268 1.275 1.00 0.00 C ATOM 764 O ALA A 75 -2.918 12.347 2.088 1.00 0.00 O ATOM 765 CB ALA A 75 -0.859 14.805 1.911 1.00 0.00 C ATOM 0 H ALA A 75 -1.140 15.282 -0.510 1.00 0.00 H new ATOM 0 HA ALA A 75 -0.777 12.836 0.983 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -0.998 14.441 2.929 1.00 0.00 H new ATOM 0 HB2 ALA A 75 0.200 14.994 1.735 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -1.420 15.730 1.777 1.00 0.00 H new ATOM 771 N GLU A 76 -3.855 13.810 0.683 1.00 0.00 N ATOM 772 CA GLU A 76 -5.228 13.321 0.920 1.00 0.00 C ATOM 773 C GLU A 76 -5.439 11.912 0.364 1.00 0.00 C ATOM 774 O GLU A 76 -6.191 11.126 0.940 1.00 0.00 O ATOM 775 CB GLU A 76 -6.279 14.228 0.267 1.00 0.00 C ATOM 776 CG GLU A 76 -6.294 15.659 0.822 1.00 0.00 C ATOM 777 CD GLU A 76 -6.987 15.715 2.197 1.00 0.00 C ATOM 778 OE1 GLU A 76 -6.312 15.508 3.238 1.00 0.00 O ATOM 779 OE2 GLU A 76 -8.216 15.970 2.260 1.00 0.00 O ATOM 0 H GLU A 76 -3.800 14.593 0.031 1.00 0.00 H new ATOM 0 HA GLU A 76 -5.350 13.320 2.003 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -6.095 14.267 -0.807 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -7.265 13.784 0.406 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -5.272 16.028 0.911 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -6.811 16.317 0.124 1.00 0.00 H new ATOM 786 N SER A 77 -4.763 11.571 -0.736 1.00 0.00 N ATOM 787 CA SER A 77 -4.777 10.238 -1.313 1.00 0.00 C ATOM 788 C SER A 77 -4.266 9.179 -0.333 1.00 0.00 C ATOM 789 O SER A 77 -4.858 8.110 -0.188 1.00 0.00 O ATOM 790 CB SER A 77 -3.947 10.276 -2.590 1.00 0.00 C ATOM 791 OG SER A 77 -2.574 10.265 -2.365 1.00 0.00 O ATOM 0 H SER A 77 -4.182 12.230 -1.255 1.00 0.00 H new ATOM 0 HA SER A 77 -5.802 9.949 -1.543 1.00 0.00 H new ATOM 0 HB2 SER A 77 -4.211 9.420 -3.210 1.00 0.00 H new ATOM 0 HB3 SER A 77 -4.207 11.171 -3.155 1.00 0.00 H new ATOM 0 HG SER A 77 -2.249 11.186 -2.280 1.00 0.00 H new ATOM 797 N ALA A 78 -3.210 9.514 0.404 1.00 0.00 N ATOM 798 CA ALA A 78 -2.666 8.657 1.444 1.00 0.00 C ATOM 799 C ALA A 78 -3.579 8.632 2.666 1.00 0.00 C ATOM 800 O ALA A 78 -3.908 7.543 3.130 1.00 0.00 O ATOM 801 CB ALA A 78 -1.250 9.108 1.767 1.00 0.00 C ATOM 0 H ALA A 78 -2.707 10.394 0.293 1.00 0.00 H new ATOM 0 HA ALA A 78 -2.617 7.627 1.091 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -0.834 8.470 2.547 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -0.632 9.037 0.872 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -1.267 10.141 2.114 1.00 0.00 H new ATOM 807 N ALA A 79 -4.065 9.792 3.131 1.00 0.00 N ATOM 808 CA ALA A 79 -5.045 9.888 4.220 1.00 0.00 C ATOM 809 C ALA A 79 -6.269 8.989 3.970 1.00 0.00 C ATOM 810 O ALA A 79 -6.647 8.203 4.852 1.00 0.00 O ATOM 811 CB ALA A 79 -5.436 11.357 4.413 1.00 0.00 C ATOM 0 H ALA A 79 -3.785 10.699 2.757 1.00 0.00 H new ATOM 0 HA ALA A 79 -4.592 9.522 5.141 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -6.164 11.437 5.220 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -4.550 11.939 4.665 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -5.873 11.741 3.491 1.00 0.00 H new ATOM 817 N LYS A 80 -6.849 9.025 2.757 1.00 0.00 N ATOM 818 CA LYS A 80 -7.958 8.134 2.436 1.00 0.00 C ATOM 819 C LYS A 80 -7.522 6.680 2.321 1.00 0.00 C ATOM 820 O LYS A 80 -8.213 5.837 2.873 1.00 0.00 O ATOM 821 CB LYS A 80 -8.750 8.606 1.198 1.00 0.00 C ATOM 822 CG LYS A 80 -8.056 8.335 -0.134 1.00 0.00 C ATOM 823 CD LYS A 80 -8.881 8.714 -1.367 1.00 0.00 C ATOM 824 CE LYS A 80 -8.774 10.177 -1.812 1.00 0.00 C ATOM 825 NZ LYS A 80 -9.491 10.384 -3.093 1.00 0.00 N ATOM 0 H LYS A 80 -6.569 9.651 2.002 1.00 0.00 H new ATOM 0 HA LYS A 80 -8.644 8.183 3.281 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -9.722 8.114 1.194 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -8.935 9.677 1.286 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -7.116 8.886 -0.158 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -7.807 7.275 -0.191 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -8.574 8.077 -2.197 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -9.928 8.490 -1.164 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -9.193 10.828 -1.045 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -7.726 10.453 -1.927 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -9.243 11.316 -3.483 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -9.217 9.642 -3.768 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -10.517 10.340 -2.928 1.00 0.00 H new ATOM 839 N ALA A 81 -6.384 6.371 1.700 1.00 0.00 N ATOM 840 CA ALA A 81 -5.901 4.988 1.604 1.00 0.00 C ATOM 841 C ALA A 81 -5.743 4.375 3.010 1.00 0.00 C ATOM 842 O ALA A 81 -6.221 3.270 3.270 1.00 0.00 O ATOM 843 CB ALA A 81 -4.598 4.924 0.808 1.00 0.00 C ATOM 0 H ALA A 81 -5.777 7.059 1.254 1.00 0.00 H new ATOM 0 HA ALA A 81 -6.640 4.395 1.065 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -4.258 3.890 0.749 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -4.767 5.308 -0.198 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -3.838 5.528 1.304 1.00 0.00 H new ATOM 849 N ILE A 82 -5.153 5.131 3.952 1.00 0.00 N ATOM 850 CA ILE A 82 -5.062 4.773 5.372 1.00 0.00 C ATOM 851 C ILE A 82 -6.450 4.456 5.932 1.00 0.00 C ATOM 852 O ILE A 82 -6.703 3.336 6.365 1.00 0.00 O ATOM 853 CB ILE A 82 -4.380 5.880 6.212 1.00 0.00 C ATOM 854 CG1 ILE A 82 -2.898 6.091 5.837 1.00 0.00 C ATOM 855 CG2 ILE A 82 -4.446 5.601 7.728 1.00 0.00 C ATOM 856 CD1 ILE A 82 -2.506 7.555 6.014 1.00 0.00 C ATOM 0 H ILE A 82 -4.717 6.028 3.739 1.00 0.00 H new ATOM 0 HA ILE A 82 -4.436 3.883 5.442 1.00 0.00 H new ATOM 0 HB ILE A 82 -4.946 6.781 5.978 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -2.265 5.461 6.462 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -2.731 5.786 4.804 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -3.953 6.409 8.268 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -5.488 5.538 8.041 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -3.944 4.659 7.947 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -1.458 7.686 5.745 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -3.126 8.178 5.370 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -2.653 7.848 7.053 1.00 0.00 H new ATOM 868 N GLU A 83 -7.380 5.409 5.883 1.00 0.00 N ATOM 869 CA GLU A 83 -8.719 5.195 6.447 1.00 0.00 C ATOM 870 C GLU A 83 -9.519 4.078 5.730 1.00 0.00 C ATOM 871 O GLU A 83 -10.350 3.410 6.350 1.00 0.00 O ATOM 872 CB GLU A 83 -9.476 6.527 6.466 1.00 0.00 C ATOM 873 CG GLU A 83 -8.836 7.546 7.431 1.00 0.00 C ATOM 874 CD GLU A 83 -8.863 7.076 8.898 1.00 0.00 C ATOM 875 OE1 GLU A 83 -9.965 6.993 9.494 1.00 0.00 O ATOM 876 OE2 GLU A 83 -7.783 6.800 9.475 1.00 0.00 O ATOM 0 H GLU A 83 -7.237 6.328 5.464 1.00 0.00 H new ATOM 0 HA GLU A 83 -8.598 4.835 7.469 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -9.497 6.946 5.460 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -10.511 6.351 6.760 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -7.804 7.726 7.131 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -9.362 8.497 7.349 1.00 0.00 H new ATOM 883 N GLU A 84 -9.224 3.803 4.458 1.00 0.00 N ATOM 884 CA GLU A 84 -9.860 2.763 3.638 1.00 0.00 C ATOM 885 C GLU A 84 -9.369 1.350 3.992 1.00 0.00 C ATOM 886 O GLU A 84 -10.186 0.430 4.073 1.00 0.00 O ATOM 887 CB GLU A 84 -9.568 3.000 2.144 1.00 0.00 C ATOM 888 CG GLU A 84 -10.345 4.148 1.476 1.00 0.00 C ATOM 889 CD GLU A 84 -11.736 3.700 0.984 1.00 0.00 C ATOM 890 OE1 GLU A 84 -12.600 3.346 1.824 1.00 0.00 O ATOM 891 OE2 GLU A 84 -11.985 3.714 -0.242 1.00 0.00 O ATOM 0 H GLU A 84 -8.507 4.318 3.948 1.00 0.00 H new ATOM 0 HA GLU A 84 -10.928 2.828 3.844 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -8.502 3.195 2.030 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -9.783 2.079 1.602 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -10.459 4.968 2.185 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -9.770 4.532 0.634 1.00 0.00 H new ATOM 898 N VAL A 85 -8.064 1.157 4.238 1.00 0.00 N ATOM 899 CA VAL A 85 -7.462 -0.194 4.297 1.00 0.00 C ATOM 900 C VAL A 85 -6.250 -0.358 5.243 1.00 0.00 C ATOM 901 O VAL A 85 -5.756 -1.467 5.418 1.00 0.00 O ATOM 902 CB VAL A 85 -7.201 -0.657 2.848 1.00 0.00 C ATOM 903 CG1 VAL A 85 -6.263 0.270 2.071 1.00 0.00 C ATOM 904 CG2 VAL A 85 -6.731 -2.104 2.687 1.00 0.00 C ATOM 0 H VAL A 85 -7.402 1.916 4.400 1.00 0.00 H new ATOM 0 HA VAL A 85 -8.179 -0.859 4.779 1.00 0.00 H new ATOM 0 HB VAL A 85 -8.200 -0.604 2.414 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -6.124 -0.116 1.061 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -6.697 1.268 2.021 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -5.299 0.319 2.577 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -6.579 -2.322 1.630 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -5.794 -2.244 3.225 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -7.486 -2.779 3.091 1.00 0.00 H new ATOM 914 N HIS A 86 -5.798 0.677 5.949 1.00 0.00 N ATOM 915 CA HIS A 86 -4.791 0.510 7.018 1.00 0.00 C ATOM 916 C HIS A 86 -5.334 -0.272 8.221 1.00 0.00 C ATOM 917 O HIS A 86 -6.285 0.149 8.888 1.00 0.00 O ATOM 918 CB HIS A 86 -4.259 1.857 7.512 1.00 0.00 C ATOM 919 CG HIS A 86 -3.068 1.734 8.431 1.00 0.00 C ATOM 920 ND1 HIS A 86 -1.766 2.004 8.090 1.00 0.00 N ATOM 921 CD2 HIS A 86 -3.064 1.334 9.743 1.00 0.00 C ATOM 922 CE1 HIS A 86 -0.988 1.758 9.159 1.00 0.00 C ATOM 923 NE2 HIS A 86 -1.737 1.342 10.195 1.00 0.00 N ATOM 0 H HIS A 86 -6.106 1.639 5.808 1.00 0.00 H new ATOM 0 HA HIS A 86 -3.980 -0.060 6.565 1.00 0.00 H new ATOM 0 HB2 HIS A 86 -3.983 2.467 6.652 1.00 0.00 H new ATOM 0 HB3 HIS A 86 -5.057 2.385 8.034 1.00 0.00 H new ATOM 0 HD1 HIS A 86 -1.444 2.335 7.181 1.00 0.00 H new ATOM 0 HD2 HIS A 86 -3.931 1.061 10.326 1.00 0.00 H new ATOM 0 HE1 HIS A 86 0.085 1.878 9.182 1.00 0.00 H new ATOM 931 N GLY A 87 -4.707 -1.407 8.536 1.00 0.00 N ATOM 932 CA GLY A 87 -4.972 -2.204 9.737 1.00 0.00 C ATOM 933 C GLY A 87 -6.117 -3.194 9.531 1.00 0.00 C ATOM 934 O GLY A 87 -6.438 -3.995 10.411 1.00 0.00 O ATOM 0 H GLY A 87 -3.979 -1.809 7.945 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -4.070 -2.748 10.017 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -5.213 -1.539 10.566 1.00 0.00 H new ATOM 938 N LYS A 88 -6.717 -3.140 8.339 1.00 0.00 N ATOM 939 CA LYS A 88 -7.683 -4.087 7.807 1.00 0.00 C ATOM 940 C LYS A 88 -6.918 -5.327 7.354 1.00 0.00 C ATOM 941 O LYS A 88 -5.795 -5.222 6.868 1.00 0.00 O ATOM 942 CB LYS A 88 -8.394 -3.397 6.633 1.00 0.00 C ATOM 943 CG LYS A 88 -9.660 -2.614 7.037 1.00 0.00 C ATOM 944 CD LYS A 88 -9.501 -1.500 8.108 1.00 0.00 C ATOM 945 CE LYS A 88 -9.180 -0.094 7.580 1.00 0.00 C ATOM 946 NZ LYS A 88 -10.361 0.561 6.949 1.00 0.00 N ATOM 0 H LYS A 88 -6.524 -2.383 7.683 1.00 0.00 H new ATOM 0 HA LYS A 88 -8.427 -4.392 8.543 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -7.696 -2.714 6.150 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -8.666 -4.150 5.893 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -10.076 -2.160 6.138 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -10.396 -3.330 7.402 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -10.423 -1.447 8.687 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -8.710 -1.797 8.796 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -8.820 0.526 8.401 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -8.372 -0.158 6.852 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -10.204 1.588 6.902 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -10.493 0.186 5.988 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -11.210 0.366 7.517 1.00 0.00 H new ATOM 960 N SER A 89 -7.518 -6.491 7.548 1.00 0.00 N ATOM 961 CA SER A 89 -6.868 -7.801 7.395 1.00 0.00 C ATOM 962 C SER A 89 -7.022 -8.372 5.984 1.00 0.00 C ATOM 963 O SER A 89 -8.083 -8.901 5.635 1.00 0.00 O ATOM 964 CB SER A 89 -7.394 -8.774 8.461 1.00 0.00 C ATOM 965 OG SER A 89 -8.812 -8.828 8.495 1.00 0.00 O ATOM 0 H SER A 89 -8.497 -6.562 7.824 1.00 0.00 H new ATOM 0 HA SER A 89 -5.798 -7.661 7.545 1.00 0.00 H new ATOM 0 HB2 SER A 89 -7.000 -9.771 8.264 1.00 0.00 H new ATOM 0 HB3 SER A 89 -7.022 -8.472 9.440 1.00 0.00 H new ATOM 0 HG SER A 89 -9.161 -8.840 7.579 1.00 0.00 H new ATOM 971 N PHE A 90 -5.970 -8.292 5.158 1.00 0.00 N ATOM 972 CA PHE A 90 -5.964 -8.923 3.835 1.00 0.00 C ATOM 973 C PHE A 90 -5.190 -10.254 3.838 1.00 0.00 C ATOM 974 O PHE A 90 -4.145 -10.364 4.478 1.00 0.00 O ATOM 975 CB PHE A 90 -5.397 -7.911 2.852 1.00 0.00 C ATOM 976 CG PHE A 90 -5.727 -8.224 1.405 1.00 0.00 C ATOM 977 CD1 PHE A 90 -5.095 -9.281 0.730 1.00 0.00 C ATOM 978 CD2 PHE A 90 -6.776 -7.517 0.787 1.00 0.00 C ATOM 979 CE1 PHE A 90 -5.549 -9.669 -0.533 1.00 0.00 C ATOM 980 CE2 PHE A 90 -7.206 -7.882 -0.496 1.00 0.00 C ATOM 981 CZ PHE A 90 -6.608 -8.974 -1.142 1.00 0.00 C ATOM 0 H PHE A 90 -5.110 -7.794 5.386 1.00 0.00 H new ATOM 0 HA PHE A 90 -6.977 -9.192 3.535 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -5.782 -6.922 3.099 1.00 0.00 H new ATOM 0 HB3 PHE A 90 -4.314 -7.870 2.969 1.00 0.00 H new ATOM 0 HD1 PHE A 90 -4.260 -9.793 1.186 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -7.249 -6.694 1.301 1.00 0.00 H new ATOM 0 HE1 PHE A 90 -5.087 -10.502 -1.041 1.00 0.00 H new ATOM 0 HE2 PHE A 90 -7.993 -7.326 -0.984 1.00 0.00 H new ATOM 0 HZ PHE A 90 -6.964 -9.283 -2.114 1.00 0.00 H new ATOM 991 N ALA A 91 -5.690 -11.251 3.093 1.00 0.00 N ATOM 992 CA ALA A 91 -5.195 -12.631 2.926 1.00 0.00 C ATOM 993 C ALA A 91 -4.955 -13.456 4.219 1.00 0.00 C ATOM 994 O ALA A 91 -5.520 -14.542 4.366 1.00 0.00 O ATOM 995 CB ALA A 91 -3.959 -12.616 2.009 1.00 0.00 C ATOM 0 H ALA A 91 -6.532 -11.100 2.538 1.00 0.00 H new ATOM 0 HA ALA A 91 -6.017 -13.177 2.463 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -3.588 -13.633 1.882 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -4.232 -12.205 1.037 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -3.180 -12.000 2.458 1.00 0.00 H new ATOM 1001 N ASN A 92 -4.127 -12.961 5.144 1.00 0.00 N ATOM 1002 CA ASN A 92 -3.766 -13.583 6.418 1.00 0.00 C ATOM 1003 C ASN A 92 -3.370 -12.573 7.527 1.00 0.00 C ATOM 1004 O ASN A 92 -3.220 -12.980 8.677 1.00 0.00 O ATOM 1005 CB ASN A 92 -2.619 -14.584 6.164 1.00 0.00 C ATOM 1006 CG ASN A 92 -1.328 -13.904 5.739 1.00 0.00 C ATOM 1007 OD1 ASN A 92 -0.505 -13.518 6.556 1.00 0.00 O ATOM 1008 ND2 ASN A 92 -1.117 -13.701 4.457 1.00 0.00 N ATOM 0 H ASN A 92 -3.664 -12.061 5.014 1.00 0.00 H new ATOM 0 HA ASN A 92 -4.654 -14.088 6.797 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -2.439 -15.161 7.071 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -2.924 -15.290 5.392 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -0.270 -13.224 4.149 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -1.800 -14.021 3.771 1.00 0.00 H new ATOM 1015 N GLN A 93 -3.179 -11.281 7.211 1.00 0.00 N ATOM 1016 CA GLN A 93 -2.624 -10.279 8.138 1.00 0.00 C ATOM 1017 C GLN A 93 -3.023 -8.842 7.742 1.00 0.00 C ATOM 1018 O GLN A 93 -3.430 -8.593 6.604 1.00 0.00 O ATOM 1019 CB GLN A 93 -1.086 -10.441 8.205 1.00 0.00 C ATOM 1020 CG GLN A 93 -0.377 -10.060 6.901 1.00 0.00 C ATOM 1021 CD GLN A 93 1.125 -10.334 6.909 1.00 0.00 C ATOM 1022 OE1 GLN A 93 1.948 -9.430 7.003 1.00 0.00 O ATOM 1023 NE2 GLN A 93 1.533 -11.570 6.740 1.00 0.00 N ATOM 0 H GLN A 93 -3.408 -10.898 6.294 1.00 0.00 H new ATOM 0 HA GLN A 93 -3.045 -10.451 9.128 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -0.698 -9.823 9.015 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -0.847 -11.476 8.451 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -0.832 -10.610 6.078 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -0.542 -9.000 6.706 1.00 0.00 H new ATOM 0 HE21 GLN A 93 0.852 -12.326 6.661 1.00 0.00 H new ATOM 0 HE22 GLN A 93 2.531 -11.775 6.687 1.00 0.00 H new ATOM 1032 N PRO A 94 -2.918 -7.865 8.659 1.00 0.00 N ATOM 1033 CA PRO A 94 -3.228 -6.487 8.326 1.00 0.00 C ATOM 1034 C PRO A 94 -2.142 -5.762 7.533 1.00 0.00 C ATOM 1035 O PRO A 94 -0.936 -5.992 7.683 1.00 0.00 O ATOM 1036 CB PRO A 94 -3.500 -5.792 9.662 1.00 0.00 C ATOM 1037 CG PRO A 94 -2.646 -6.592 10.643 1.00 0.00 C ATOM 1038 CD PRO A 94 -2.745 -8.012 10.093 1.00 0.00 C ATOM 0 HA PRO A 94 -4.087 -6.463 7.655 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -3.210 -4.742 9.637 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -4.557 -5.825 9.927 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -1.616 -6.237 10.665 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -3.029 -6.525 11.661 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -1.846 -8.585 10.323 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -3.585 -8.546 10.536 1.00 0.00 H new ATOM 1046 N LEU A 95 -2.630 -4.837 6.714 1.00 0.00 N ATOM 1047 CA LEU A 95 -1.872 -3.882 5.918 1.00 0.00 C ATOM 1048 C LEU A 95 -1.183 -2.790 6.753 1.00 0.00 C ATOM 1049 O LEU A 95 -1.610 -2.470 7.868 1.00 0.00 O ATOM 1050 CB LEU A 95 -2.876 -3.209 4.966 1.00 0.00 C ATOM 1051 CG LEU A 95 -3.398 -4.006 3.763 1.00 0.00 C ATOM 1052 CD1 LEU A 95 -2.379 -4.957 3.161 1.00 0.00 C ATOM 1053 CD2 LEU A 95 -4.674 -4.762 4.033 1.00 0.00 C ATOM 0 H LEU A 95 -3.635 -4.728 6.580 1.00 0.00 H new ATOM 0 HA LEU A 95 -1.077 -4.421 5.402 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -3.738 -2.902 5.558 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -2.411 -2.300 4.584 1.00 0.00 H new ATOM 0 HG LEU A 95 -3.610 -3.223 3.034 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -2.826 -5.482 2.317 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -1.512 -4.392 2.820 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -2.067 -5.681 3.914 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -4.976 -5.299 3.134 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -4.511 -5.473 4.843 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -5.459 -4.061 4.318 1.00 0.00 H new ATOM 1065 N GLU A 96 -0.189 -2.133 6.149 1.00 0.00 N ATOM 1066 CA GLU A 96 0.551 -0.991 6.711 1.00 0.00 C ATOM 1067 C GLU A 96 0.606 0.152 5.676 1.00 0.00 C ATOM 1068 O GLU A 96 1.632 0.724 5.316 1.00 0.00 O ATOM 1069 CB GLU A 96 1.895 -1.518 7.228 1.00 0.00 C ATOM 1070 CG GLU A 96 2.664 -0.534 8.107 1.00 0.00 C ATOM 1071 CD GLU A 96 3.869 -1.195 8.805 1.00 0.00 C ATOM 1072 OE1 GLU A 96 3.880 -2.437 9.016 1.00 0.00 O ATOM 1073 OE2 GLU A 96 4.807 -0.452 9.184 1.00 0.00 O ATOM 0 H GLU A 96 0.138 -2.390 5.218 1.00 0.00 H new ATOM 0 HA GLU A 96 0.059 -0.536 7.571 1.00 0.00 H new ATOM 0 HB2 GLU A 96 1.719 -2.432 7.795 1.00 0.00 H new ATOM 0 HB3 GLU A 96 2.518 -1.788 6.375 1.00 0.00 H new ATOM 0 HG2 GLU A 96 3.012 0.300 7.497 1.00 0.00 H new ATOM 0 HG3 GLU A 96 1.993 -0.120 8.859 1.00 0.00 H new ATOM 1080 N VAL A 97 -0.572 0.449 5.131 1.00 0.00 N ATOM 1081 CA VAL A 97 -0.865 1.482 4.123 1.00 0.00 C ATOM 1082 C VAL A 97 -0.588 2.827 4.782 1.00 0.00 C ATOM 1083 O VAL A 97 -1.420 3.252 5.587 1.00 0.00 O ATOM 1084 CB VAL A 97 -2.364 1.384 3.800 1.00 0.00 C ATOM 1085 CG1 VAL A 97 -2.942 2.509 2.944 1.00 0.00 C ATOM 1086 CG2 VAL A 97 -2.654 0.068 3.071 1.00 0.00 C ATOM 0 H VAL A 97 -1.414 -0.061 5.398 1.00 0.00 H new ATOM 0 HA VAL A 97 -0.271 1.364 3.217 1.00 0.00 H new ATOM 0 HB VAL A 97 -2.846 1.453 4.775 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -4.005 2.333 2.782 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -2.806 3.462 3.455 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -2.428 2.536 1.983 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -3.718 0.004 2.845 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -2.083 0.033 2.143 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -2.367 -0.770 3.706 1.00 0.00 H new ATOM 1096 N VAL A 98 0.571 3.471 4.588 1.00 0.00 N ATOM 1097 CA VAL A 98 0.932 4.551 5.504 1.00 0.00 C ATOM 1098 C VAL A 98 1.933 5.545 4.894 1.00 0.00 C ATOM 1099 O VAL A 98 1.636 6.241 3.917 1.00 0.00 O ATOM 1100 CB VAL A 98 1.300 3.839 6.852 1.00 0.00 C ATOM 1101 CG1 VAL A 98 2.713 3.267 7.107 1.00 0.00 C ATOM 1102 CG2 VAL A 98 0.659 4.618 7.983 1.00 0.00 C ATOM 0 H VAL A 98 1.241 3.275 3.845 1.00 0.00 H new ATOM 0 HA VAL A 98 0.119 5.246 5.713 1.00 0.00 H new ATOM 0 HB VAL A 98 0.871 2.841 6.766 1.00 0.00 H new ATOM 0 HG11 VAL A 98 2.750 2.819 8.100 1.00 0.00 H new ATOM 0 HG12 VAL A 98 2.939 2.508 6.358 1.00 0.00 H new ATOM 0 HG13 VAL A 98 3.447 4.070 7.044 1.00 0.00 H new ATOM 0 HG21 VAL A 98 0.900 4.143 8.934 1.00 0.00 H new ATOM 0 HG22 VAL A 98 1.038 5.640 7.982 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -0.423 4.632 7.848 1.00 0.00 H new ATOM 1112 N TYR A 99 3.144 5.567 5.436 1.00 0.00 N ATOM 1113 CA TYR A 99 4.323 6.316 5.011 1.00 0.00 C ATOM 1114 C TYR A 99 5.486 5.351 4.659 1.00 0.00 C ATOM 1115 O TYR A 99 6.630 5.753 4.483 1.00 0.00 O ATOM 1116 CB TYR A 99 4.669 7.253 6.173 1.00 0.00 C ATOM 1117 CG TYR A 99 3.513 8.020 6.816 1.00 0.00 C ATOM 1118 CD1 TYR A 99 2.455 8.500 6.023 1.00 0.00 C ATOM 1119 CD2 TYR A 99 3.473 8.221 8.206 1.00 0.00 C ATOM 1120 CE1 TYR A 99 1.366 9.174 6.598 1.00 0.00 C ATOM 1121 CE2 TYR A 99 2.387 8.901 8.800 1.00 0.00 C ATOM 1122 CZ TYR A 99 1.328 9.380 7.995 1.00 0.00 C ATOM 1123 OH TYR A 99 0.274 10.035 8.554 1.00 0.00 O ATOM 0 H TYR A 99 3.346 5.007 6.264 1.00 0.00 H new ATOM 0 HA TYR A 99 4.138 6.893 4.105 1.00 0.00 H new ATOM 0 HB2 TYR A 99 5.157 6.664 6.949 1.00 0.00 H new ATOM 0 HB3 TYR A 99 5.400 7.979 5.816 1.00 0.00 H new ATOM 0 HD1 TYR A 99 2.481 8.348 4.954 1.00 0.00 H new ATOM 0 HD2 TYR A 99 4.278 7.853 8.824 1.00 0.00 H new ATOM 0 HE1 TYR A 99 0.561 9.534 5.975 1.00 0.00 H new ATOM 0 HE2 TYR A 99 2.365 9.055 9.869 1.00 0.00 H new ATOM 0 HH TYR A 99 0.401 10.092 9.524 1.00 0.00 H new ATOM 1133 N SER A 100 5.168 4.059 4.550 1.00 0.00 N ATOM 1134 CA SER A 100 6.030 2.896 4.321 1.00 0.00 C ATOM 1135 C SER A 100 7.395 2.843 5.043 1.00 0.00 C ATOM 1136 O SER A 100 8.453 2.643 4.440 1.00 0.00 O ATOM 1137 CB SER A 100 6.029 2.496 2.851 1.00 0.00 C ATOM 1138 OG SER A 100 6.922 1.460 2.490 1.00 0.00 O ATOM 0 H SER A 100 4.193 3.770 4.629 1.00 0.00 H new ATOM 0 HA SER A 100 5.551 2.089 4.876 1.00 0.00 H new ATOM 0 HB2 SER A 100 5.019 2.189 2.579 1.00 0.00 H new ATOM 0 HB3 SER A 100 6.266 3.377 2.255 1.00 0.00 H new ATOM 0 HG SER A 100 7.766 1.571 2.976 1.00 0.00 H new