USER MOD reduce.3.24.130724 H: found=0, std=0, add=575, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 575 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 10 ASN : amide:sc= -2.23! K(o=-1.6!,f=-0.63) USER MOD Set 1.2: A 11 THR OG1 : rot 90:sc= 0.637 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 23 GLN : amide:sc= -1.02 K(o=-1,f=-6.2!) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 28 ASN : amide:sc= -0.746 K(o=-0.75,f=0.43) USER MOD Single : A 37 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 ASN : amide:sc= -0.15 X(o=-0.15,f=0) USER MOD Single : A 56 SER OG : rot -78:sc= -0.24 USER MOD Single : A 59 LYS NZ :NH3+ -154:sc= -0.11 (180deg=-0.658) USER MOD Single : A 65 HIS : no HD1:sc= 0 X(o=0,f=-0.073) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 71 ASN : amide:sc=-0.000773 X(o=-0.00077,f=-0.078) USER MOD Single : A 72 GLN : amide:sc= 0 K(o=0,f=-0.56) USER MOD Single : A 78 TYR OH : rot 30:sc= -0.694 USER MOD Single : A 79 SER OG : rot 170:sc= -0.798 USER MOD Single : A 80 LYS NZ :NH3+ 151:sc= -0.0358 (180deg=-0.947) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 7 8.162 -8.626 0.400 1.00 0.00 N ATOM 2 CA GLU A 7 8.149 -9.041 1.798 1.00 0.00 C ATOM 3 C GLU A 7 8.800 -10.411 1.965 1.00 0.00 C ATOM 4 O GLU A 7 9.516 -10.656 2.938 1.00 0.00 O ATOM 5 CB GLU A 7 6.715 -9.077 2.329 1.00 0.00 C ATOM 6 CG GLU A 7 5.836 -10.108 1.639 1.00 0.00 C ATOM 7 CD GLU A 7 4.401 -10.071 2.127 1.00 0.00 C ATOM 8 OE1 GLU A 7 4.068 -9.172 2.926 1.00 0.00 O ATOM 9 OE2 GLU A 7 3.611 -10.943 1.709 1.00 0.00 O ATOM 0 HA GLU A 7 8.723 -8.313 2.372 1.00 0.00 H new ATOM 0 HB2 GLU A 7 6.738 -9.288 3.398 1.00 0.00 H new ATOM 0 HB3 GLU A 7 6.267 -8.091 2.208 1.00 0.00 H new ATOM 0 HG2 GLU A 7 5.855 -9.934 0.563 1.00 0.00 H new ATOM 0 HG3 GLU A 7 6.248 -11.103 1.808 1.00 0.00 H new ATOM 16 N LEU A 8 8.546 -11.300 1.012 1.00 0.00 N ATOM 17 CA LEU A 8 9.107 -12.646 1.052 1.00 0.00 C ATOM 18 C LEU A 8 10.584 -12.633 0.673 1.00 0.00 C ATOM 19 O LEU A 8 11.101 -11.629 0.184 1.00 0.00 O ATOM 20 CB LEU A 8 8.334 -13.570 0.108 1.00 0.00 C ATOM 21 CG LEU A 8 8.225 -13.105 -1.344 1.00 0.00 C ATOM 22 CD1 LEU A 8 9.512 -13.404 -2.098 1.00 0.00 C ATOM 23 CD2 LEU A 8 7.038 -13.768 -2.028 1.00 0.00 C ATOM 0 H LEU A 8 7.955 -11.113 0.202 1.00 0.00 H new ATOM 0 HA LEU A 8 9.017 -13.020 2.072 1.00 0.00 H new ATOM 0 HB2 LEU A 8 8.811 -14.550 0.120 1.00 0.00 H new ATOM 0 HB3 LEU A 8 7.327 -13.701 0.504 1.00 0.00 H new ATOM 0 HG LEU A 8 8.067 -12.027 -1.350 1.00 0.00 H new ATOM 0 HD11 LEU A 8 9.416 -13.066 -3.130 1.00 0.00 H new ATOM 0 HD12 LEU A 8 10.342 -12.883 -1.621 1.00 0.00 H new ATOM 0 HD13 LEU A 8 9.701 -14.477 -2.084 1.00 0.00 H new ATOM 0 HD21 LEU A 8 6.975 -13.426 -3.061 1.00 0.00 H new ATOM 0 HD22 LEU A 8 7.167 -14.850 -2.012 1.00 0.00 H new ATOM 0 HD23 LEU A 8 6.121 -13.504 -1.502 1.00 0.00 H new ATOM 35 N SER A 9 11.258 -13.756 0.901 1.00 0.00 N ATOM 36 CA SER A 9 12.677 -13.873 0.585 1.00 0.00 C ATOM 37 C SER A 9 12.889 -14.754 -0.643 1.00 0.00 C ATOM 38 O SER A 9 11.948 -15.358 -1.157 1.00 0.00 O ATOM 39 CB SER A 9 13.441 -14.449 1.778 1.00 0.00 C ATOM 40 OG SER A 9 13.811 -13.428 2.688 1.00 0.00 O ATOM 0 H SER A 9 10.845 -14.597 1.303 1.00 0.00 H new ATOM 0 HA SER A 9 13.059 -12.876 0.366 1.00 0.00 H new ATOM 0 HB2 SER A 9 12.822 -15.188 2.288 1.00 0.00 H new ATOM 0 HB3 SER A 9 14.333 -14.968 1.426 1.00 0.00 H new ATOM 0 HG SER A 9 14.296 -13.822 3.442 1.00 0.00 H new ATOM 46 N ASN A 10 14.133 -14.822 -1.107 1.00 0.00 N ATOM 47 CA ASN A 10 14.470 -15.629 -2.274 1.00 0.00 C ATOM 48 C ASN A 10 14.765 -17.071 -1.872 1.00 0.00 C ATOM 49 O ASN A 10 14.442 -18.009 -2.602 1.00 0.00 O ATOM 50 CB ASN A 10 15.678 -15.033 -3.000 1.00 0.00 C ATOM 51 CG ASN A 10 16.993 -15.576 -2.476 1.00 0.00 C ATOM 52 OD1 ASN A 10 17.474 -15.159 -1.422 1.00 0.00 O ATOM 53 ND2 ASN A 10 17.582 -16.512 -3.212 1.00 0.00 N ATOM 0 H ASN A 10 14.924 -14.328 -0.693 1.00 0.00 H new ATOM 0 HA ASN A 10 13.612 -15.626 -2.946 1.00 0.00 H new ATOM 0 HB2 ASN A 10 15.599 -15.246 -4.066 1.00 0.00 H new ATOM 0 HB3 ASN A 10 15.666 -13.949 -2.890 1.00 0.00 H new ATOM 0 HD21 ASN A 10 18.469 -16.915 -2.910 1.00 0.00 H new ATOM 0 HD22 ASN A 10 17.147 -16.828 -4.079 1.00 0.00 H new ATOM 60 N THR A 11 15.380 -17.241 -0.706 1.00 0.00 N ATOM 61 CA THR A 11 15.719 -18.567 -0.206 1.00 0.00 C ATOM 62 C THR A 11 15.596 -18.631 1.312 1.00 0.00 C ATOM 63 O THR A 11 16.543 -18.322 2.034 1.00 0.00 O ATOM 64 CB THR A 11 17.149 -18.972 -0.612 1.00 0.00 C ATOM 65 OG1 THR A 11 18.045 -17.873 -0.408 1.00 0.00 O ATOM 66 CG2 THR A 11 17.195 -19.407 -2.069 1.00 0.00 C ATOM 0 H THR A 11 15.654 -16.476 -0.090 1.00 0.00 H new ATOM 0 HA THR A 11 15.011 -19.264 -0.654 1.00 0.00 H new ATOM 0 HB THR A 11 17.457 -19.812 0.011 1.00 0.00 H new ATOM 0 HG1 THR A 11 18.415 -17.916 0.499 1.00 0.00 H new ATOM 0 HG21 THR A 11 18.215 -19.688 -2.333 1.00 0.00 H new ATOM 0 HG22 THR A 11 16.534 -20.261 -2.215 1.00 0.00 H new ATOM 0 HG23 THR A 11 16.870 -18.584 -2.705 1.00 0.00 H new ATOM 74 N ARG A 12 14.423 -19.036 1.789 1.00 0.00 N ATOM 75 CA ARG A 12 14.177 -19.140 3.222 1.00 0.00 C ATOM 76 C ARG A 12 12.761 -19.639 3.496 1.00 0.00 C ATOM 77 O ARG A 12 11.781 -19.016 3.085 1.00 0.00 O ATOM 78 CB ARG A 12 14.390 -17.784 3.898 1.00 0.00 C ATOM 79 CG ARG A 12 15.106 -17.876 5.235 1.00 0.00 C ATOM 80 CD ARG A 12 15.224 -16.512 5.899 1.00 0.00 C ATOM 81 NE ARG A 12 15.685 -16.614 7.281 1.00 0.00 N ATOM 82 CZ ARG A 12 16.939 -16.897 7.618 1.00 0.00 C ATOM 83 NH1 ARG A 12 17.851 -17.105 6.678 1.00 0.00 N ATOM 84 NH2 ARG A 12 17.282 -16.973 8.897 1.00 0.00 N ATOM 0 H ARG A 12 13.629 -19.297 1.204 1.00 0.00 H new ATOM 0 HA ARG A 12 14.884 -19.859 3.635 1.00 0.00 H new ATOM 0 HB2 ARG A 12 14.965 -17.141 3.231 1.00 0.00 H new ATOM 0 HB3 ARG A 12 13.422 -17.305 4.046 1.00 0.00 H new ATOM 0 HG2 ARG A 12 14.565 -18.556 5.893 1.00 0.00 H new ATOM 0 HG3 ARG A 12 16.100 -18.298 5.088 1.00 0.00 H new ATOM 0 HD2 ARG A 12 15.917 -15.891 5.331 1.00 0.00 H new ATOM 0 HD3 ARG A 12 14.255 -16.013 5.876 1.00 0.00 H new ATOM 0 HE ARG A 12 15.008 -16.460 8.028 1.00 0.00 H new ATOM 0 HH11 ARG A 12 17.591 -17.048 5.693 1.00 0.00 H new ATOM 0 HH12 ARG A 12 18.813 -17.322 6.940 1.00 0.00 H new ATOM 0 HH21 ARG A 12 16.583 -16.814 9.623 1.00 0.00 H new ATOM 0 HH22 ARG A 12 18.245 -17.190 9.155 1.00 0.00 H new ATOM 98 N LEU A 13 12.661 -20.767 4.191 1.00 0.00 N ATOM 99 CA LEU A 13 11.365 -21.351 4.519 1.00 0.00 C ATOM 100 C LEU A 13 11.181 -21.453 6.030 1.00 0.00 C ATOM 101 O LEU A 13 11.952 -22.124 6.716 1.00 0.00 O ATOM 102 CB LEU A 13 11.233 -22.736 3.883 1.00 0.00 C ATOM 103 CG LEU A 13 11.870 -22.905 2.504 1.00 0.00 C ATOM 104 CD1 LEU A 13 11.483 -24.245 1.897 1.00 0.00 C ATOM 105 CD2 LEU A 13 11.462 -21.764 1.584 1.00 0.00 C ATOM 0 H LEU A 13 13.462 -21.295 4.538 1.00 0.00 H new ATOM 0 HA LEU A 13 10.588 -20.699 4.120 1.00 0.00 H new ATOM 0 HB2 LEU A 13 11.677 -23.468 4.558 1.00 0.00 H new ATOM 0 HB3 LEU A 13 10.173 -22.978 3.804 1.00 0.00 H new ATOM 0 HG LEU A 13 12.953 -22.881 2.621 1.00 0.00 H new ATOM 0 HD11 LEU A 13 11.946 -24.347 0.915 1.00 0.00 H new ATOM 0 HD12 LEU A 13 11.826 -25.051 2.546 1.00 0.00 H new ATOM 0 HD13 LEU A 13 10.399 -24.298 1.794 1.00 0.00 H new ATOM 0 HD21 LEU A 13 11.925 -21.901 0.607 1.00 0.00 H new ATOM 0 HD22 LEU A 13 10.378 -21.755 1.474 1.00 0.00 H new ATOM 0 HD23 LEU A 13 11.791 -20.817 2.011 1.00 0.00 H new ATOM 117 N PHE A 14 10.153 -20.784 6.541 1.00 0.00 N ATOM 118 CA PHE A 14 9.866 -20.800 7.971 1.00 0.00 C ATOM 119 C PHE A 14 8.852 -21.889 8.310 1.00 0.00 C ATOM 120 O PHE A 14 7.715 -21.862 7.840 1.00 0.00 O ATOM 121 CB PHE A 14 9.336 -19.436 8.421 1.00 0.00 C ATOM 122 CG PHE A 14 8.580 -19.486 9.718 1.00 0.00 C ATOM 123 CD1 PHE A 14 9.254 -19.600 10.924 1.00 0.00 C ATOM 124 CD2 PHE A 14 7.197 -19.418 9.732 1.00 0.00 C ATOM 125 CE1 PHE A 14 8.560 -19.646 12.119 1.00 0.00 C ATOM 126 CE2 PHE A 14 6.498 -19.463 10.923 1.00 0.00 C ATOM 127 CZ PHE A 14 7.181 -19.577 12.118 1.00 0.00 C ATOM 0 H PHE A 14 9.505 -20.224 5.987 1.00 0.00 H new ATOM 0 HA PHE A 14 10.794 -21.015 8.501 1.00 0.00 H new ATOM 0 HB2 PHE A 14 10.173 -18.746 8.524 1.00 0.00 H new ATOM 0 HB3 PHE A 14 8.685 -19.034 7.645 1.00 0.00 H new ATOM 0 HD1 PHE A 14 10.333 -19.653 10.930 1.00 0.00 H new ATOM 0 HD2 PHE A 14 6.658 -19.329 8.800 1.00 0.00 H new ATOM 0 HE1 PHE A 14 9.096 -19.736 13.052 1.00 0.00 H new ATOM 0 HE2 PHE A 14 5.419 -19.409 10.919 1.00 0.00 H new ATOM 0 HZ PHE A 14 6.637 -19.612 13.050 1.00 0.00 H new ATOM 137 N VAL A 15 9.274 -22.847 9.129 1.00 0.00 N ATOM 138 CA VAL A 15 8.405 -23.946 9.532 1.00 0.00 C ATOM 139 C VAL A 15 7.851 -23.722 10.934 1.00 0.00 C ATOM 140 O VAL A 15 8.362 -22.895 11.690 1.00 0.00 O ATOM 141 CB VAL A 15 9.149 -25.293 9.496 1.00 0.00 C ATOM 142 CG1 VAL A 15 8.163 -26.447 9.398 1.00 0.00 C ATOM 143 CG2 VAL A 15 10.136 -25.325 8.338 1.00 0.00 C ATOM 0 H VAL A 15 10.213 -22.884 9.526 1.00 0.00 H new ATOM 0 HA VAL A 15 7.581 -23.976 8.819 1.00 0.00 H new ATOM 0 HB VAL A 15 9.709 -25.403 10.425 1.00 0.00 H new ATOM 0 HG11 VAL A 15 8.708 -27.390 9.374 1.00 0.00 H new ATOM 0 HG12 VAL A 15 7.500 -26.433 10.263 1.00 0.00 H new ATOM 0 HG13 VAL A 15 7.573 -26.345 8.487 1.00 0.00 H new ATOM 0 HG21 VAL A 15 10.653 -26.284 8.327 1.00 0.00 H new ATOM 0 HG22 VAL A 15 9.599 -25.192 7.399 1.00 0.00 H new ATOM 0 HG23 VAL A 15 10.863 -24.522 8.457 1.00 0.00 H new ATOM 153 N ARG A 16 6.802 -24.464 11.276 1.00 0.00 N ATOM 154 CA ARG A 16 6.177 -24.345 12.588 1.00 0.00 C ATOM 155 C ARG A 16 7.022 -25.034 13.656 1.00 0.00 C ATOM 156 O ARG A 16 7.982 -25.746 13.360 1.00 0.00 O ATOM 157 CB ARG A 16 4.773 -24.951 12.564 1.00 0.00 C ATOM 158 CG ARG A 16 4.685 -26.312 13.234 1.00 0.00 C ATOM 159 CD ARG A 16 3.414 -27.047 12.838 1.00 0.00 C ATOM 160 NE ARG A 16 2.259 -26.601 13.613 1.00 0.00 N ATOM 161 CZ ARG A 16 2.021 -26.983 14.863 1.00 0.00 C ATOM 162 NH1 ARG A 16 2.854 -27.814 15.475 1.00 0.00 N ATOM 163 NH2 ARG A 16 0.949 -26.534 15.503 1.00 0.00 N ATOM 0 H ARG A 16 6.367 -25.154 10.663 1.00 0.00 H new ATOM 0 HA ARG A 16 6.104 -23.286 12.834 1.00 0.00 H new ATOM 0 HB2 ARG A 16 4.083 -24.267 13.058 1.00 0.00 H new ATOM 0 HB3 ARG A 16 4.444 -25.043 11.529 1.00 0.00 H new ATOM 0 HG2 ARG A 16 5.553 -26.911 12.959 1.00 0.00 H new ATOM 0 HG3 ARG A 16 4.713 -26.188 14.317 1.00 0.00 H new ATOM 0 HD2 ARG A 16 3.221 -26.891 11.777 1.00 0.00 H new ATOM 0 HD3 ARG A 16 3.555 -28.118 12.982 1.00 0.00 H new ATOM 0 HE ARG A 16 1.599 -25.961 13.170 1.00 0.00 H new ATOM 0 HH11 ARG A 16 3.679 -28.161 14.986 1.00 0.00 H new ATOM 0 HH12 ARG A 16 2.670 -28.106 16.435 1.00 0.00 H new ATOM 0 HH21 ARG A 16 0.306 -25.895 15.035 1.00 0.00 H new ATOM 0 HH22 ARG A 16 0.768 -26.828 16.463 1.00 0.00 H new ATOM 177 N PRO A 17 6.657 -24.819 14.929 1.00 0.00 N ATOM 178 CA PRO A 17 7.368 -25.410 16.067 1.00 0.00 C ATOM 179 C PRO A 17 7.160 -26.918 16.160 1.00 0.00 C ATOM 180 O PRO A 17 6.029 -27.394 16.250 1.00 0.00 O ATOM 181 CB PRO A 17 6.746 -24.709 17.277 1.00 0.00 C ATOM 182 CG PRO A 17 5.389 -24.297 16.819 1.00 0.00 C ATOM 183 CD PRO A 17 5.524 -23.982 15.355 1.00 0.00 C ATOM 0 HA PRO A 17 8.447 -25.276 15.988 1.00 0.00 H new ATOM 0 HB2 PRO A 17 6.688 -25.378 18.136 1.00 0.00 H new ATOM 0 HB3 PRO A 17 7.339 -23.847 17.584 1.00 0.00 H new ATOM 0 HG2 PRO A 17 4.664 -25.094 16.981 1.00 0.00 H new ATOM 0 HG3 PRO A 17 5.037 -23.428 17.374 1.00 0.00 H new ATOM 0 HD2 PRO A 17 4.615 -24.227 14.806 1.00 0.00 H new ATOM 0 HD3 PRO A 17 5.722 -22.923 15.188 1.00 0.00 H new ATOM 191 N PHE A 18 8.259 -27.664 16.138 1.00 0.00 N ATOM 192 CA PHE A 18 8.197 -29.119 16.219 1.00 0.00 C ATOM 193 C PHE A 18 8.309 -29.588 17.667 1.00 0.00 C ATOM 194 O PHE A 18 8.790 -28.869 18.543 1.00 0.00 O ATOM 195 CB PHE A 18 9.313 -29.746 15.380 1.00 0.00 C ATOM 196 CG PHE A 18 9.174 -29.486 13.908 1.00 0.00 C ATOM 197 CD1 PHE A 18 9.682 -28.327 13.345 1.00 0.00 C ATOM 198 CD2 PHE A 18 8.536 -30.402 13.086 1.00 0.00 C ATOM 199 CE1 PHE A 18 9.555 -28.085 11.990 1.00 0.00 C ATOM 200 CE2 PHE A 18 8.406 -30.165 11.731 1.00 0.00 C ATOM 201 CZ PHE A 18 8.917 -29.006 11.182 1.00 0.00 C ATOM 0 H PHE A 18 9.203 -27.285 16.065 1.00 0.00 H new ATOM 0 HA PHE A 18 7.232 -29.439 15.825 1.00 0.00 H new ATOM 0 HB2 PHE A 18 10.274 -29.359 15.720 1.00 0.00 H new ATOM 0 HB3 PHE A 18 9.324 -30.822 15.551 1.00 0.00 H new ATOM 0 HD1 PHE A 18 10.183 -27.604 13.972 1.00 0.00 H new ATOM 0 HD2 PHE A 18 8.136 -31.311 13.510 1.00 0.00 H new ATOM 0 HE1 PHE A 18 9.954 -27.177 11.563 1.00 0.00 H new ATOM 0 HE2 PHE A 18 7.905 -30.886 11.102 1.00 0.00 H new ATOM 0 HZ PHE A 18 8.818 -28.820 10.123 1.00 0.00 H new ATOM 211 N PRO A 19 7.854 -30.823 17.925 1.00 0.00 N ATOM 212 CA PRO A 19 7.891 -31.416 19.265 1.00 0.00 C ATOM 213 C PRO A 19 9.311 -31.740 19.716 1.00 0.00 C ATOM 214 O PRO A 19 10.282 -31.216 19.169 1.00 0.00 O ATOM 215 CB PRO A 19 7.074 -32.701 19.107 1.00 0.00 C ATOM 216 CG PRO A 19 7.186 -33.045 17.662 1.00 0.00 C ATOM 217 CD PRO A 19 7.267 -31.735 16.929 1.00 0.00 C ATOM 0 HA PRO A 19 7.500 -30.737 20.022 1.00 0.00 H new ATOM 0 HB2 PRO A 19 7.467 -33.500 19.736 1.00 0.00 H new ATOM 0 HB3 PRO A 19 6.035 -32.548 19.398 1.00 0.00 H new ATOM 0 HG2 PRO A 19 8.071 -33.653 17.473 1.00 0.00 H new ATOM 0 HG3 PRO A 19 6.324 -33.625 17.331 1.00 0.00 H new ATOM 0 HD2 PRO A 19 7.890 -31.811 16.038 1.00 0.00 H new ATOM 0 HD3 PRO A 19 6.284 -31.395 16.603 1.00 0.00 H new ATOM 225 N LEU A 20 9.426 -32.606 20.717 1.00 0.00 N ATOM 226 CA LEU A 20 10.729 -33.000 21.241 1.00 0.00 C ATOM 227 C LEU A 20 11.639 -33.497 20.123 1.00 0.00 C ATOM 228 O LEU A 20 12.861 -33.521 20.268 1.00 0.00 O ATOM 229 CB LEU A 20 10.565 -34.090 22.303 1.00 0.00 C ATOM 230 CG LEU A 20 9.720 -35.299 21.898 1.00 0.00 C ATOM 231 CD1 LEU A 20 10.347 -36.585 22.415 1.00 0.00 C ATOM 232 CD2 LEU A 20 8.297 -35.152 22.416 1.00 0.00 C ATOM 0 H LEU A 20 8.633 -33.048 21.182 1.00 0.00 H new ATOM 0 HA LEU A 20 11.190 -32.123 21.696 1.00 0.00 H new ATOM 0 HB2 LEU A 20 11.556 -34.443 22.588 1.00 0.00 H new ATOM 0 HB3 LEU A 20 10.119 -33.641 23.190 1.00 0.00 H new ATOM 0 HG LEU A 20 9.686 -35.347 20.810 1.00 0.00 H new ATOM 0 HD11 LEU A 20 9.732 -37.435 22.118 1.00 0.00 H new ATOM 0 HD12 LEU A 20 11.347 -36.696 21.996 1.00 0.00 H new ATOM 0 HD13 LEU A 20 10.411 -36.547 23.502 1.00 0.00 H new ATOM 0 HD21 LEU A 20 7.710 -36.021 22.119 1.00 0.00 H new ATOM 0 HD22 LEU A 20 8.311 -35.079 23.503 1.00 0.00 H new ATOM 0 HD23 LEU A 20 7.849 -34.251 21.998 1.00 0.00 H new ATOM 244 N ASP A 21 11.035 -33.891 19.007 1.00 0.00 N ATOM 245 CA ASP A 21 11.791 -34.384 17.861 1.00 0.00 C ATOM 246 C ASP A 21 12.190 -33.237 16.939 1.00 0.00 C ATOM 247 O ASP A 21 12.463 -33.443 15.756 1.00 0.00 O ATOM 248 CB ASP A 21 10.969 -35.416 17.087 1.00 0.00 C ATOM 249 CG ASP A 21 10.798 -36.713 17.853 1.00 0.00 C ATOM 250 OD1 ASP A 21 10.872 -36.680 19.100 1.00 0.00 O ATOM 251 OD2 ASP A 21 10.589 -37.760 17.207 1.00 0.00 O ATOM 0 H ASP A 21 10.024 -33.879 18.871 1.00 0.00 H new ATOM 0 HA ASP A 21 12.699 -34.859 18.233 1.00 0.00 H new ATOM 0 HB2 ASP A 21 9.988 -34.999 16.861 1.00 0.00 H new ATOM 0 HB3 ASP A 21 11.455 -35.622 16.133 1.00 0.00 H new ATOM 256 N VAL A 22 12.219 -32.026 17.487 1.00 0.00 N ATOM 257 CA VAL A 22 12.584 -30.845 16.713 1.00 0.00 C ATOM 258 C VAL A 22 14.087 -30.798 16.458 1.00 0.00 C ATOM 259 O VAL A 22 14.845 -30.261 17.264 1.00 0.00 O ATOM 260 CB VAL A 22 12.155 -29.551 17.429 1.00 0.00 C ATOM 261 CG1 VAL A 22 12.662 -29.540 18.863 1.00 0.00 C ATOM 262 CG2 VAL A 22 12.655 -28.331 16.669 1.00 0.00 C ATOM 0 H VAL A 22 11.994 -31.837 18.464 1.00 0.00 H new ATOM 0 HA VAL A 22 12.059 -30.916 15.760 1.00 0.00 H new ATOM 0 HB VAL A 22 11.066 -29.515 17.454 1.00 0.00 H new ATOM 0 HG11 VAL A 22 12.349 -28.618 19.353 1.00 0.00 H new ATOM 0 HG12 VAL A 22 12.251 -30.394 19.401 1.00 0.00 H new ATOM 0 HG13 VAL A 22 13.750 -29.600 18.865 1.00 0.00 H new ATOM 0 HG21 VAL A 22 12.343 -27.425 17.189 1.00 0.00 H new ATOM 0 HG22 VAL A 22 13.743 -28.359 16.611 1.00 0.00 H new ATOM 0 HG23 VAL A 22 12.238 -28.333 15.662 1.00 0.00 H new ATOM 272 N GLN A 23 14.508 -31.364 15.332 1.00 0.00 N ATOM 273 CA GLN A 23 15.921 -31.386 14.971 1.00 0.00 C ATOM 274 C GLN A 23 16.096 -31.386 13.456 1.00 0.00 C ATOM 275 O GLN A 23 15.198 -31.793 12.719 1.00 0.00 O ATOM 276 CB GLN A 23 16.604 -32.615 15.576 1.00 0.00 C ATOM 277 CG GLN A 23 15.945 -33.929 15.189 1.00 0.00 C ATOM 278 CD GLN A 23 16.573 -35.122 15.881 1.00 0.00 C ATOM 279 OE1 GLN A 23 16.883 -36.131 15.246 1.00 0.00 O ATOM 280 NE2 GLN A 23 16.765 -35.014 17.190 1.00 0.00 N ATOM 0 H GLN A 23 13.892 -31.813 14.654 1.00 0.00 H new ATOM 0 HA GLN A 23 16.387 -30.486 15.372 1.00 0.00 H new ATOM 0 HB2 GLN A 23 17.647 -32.634 15.259 1.00 0.00 H new ATOM 0 HB3 GLN A 23 16.603 -32.523 16.662 1.00 0.00 H new ATOM 0 HG2 GLN A 23 14.885 -33.886 15.437 1.00 0.00 H new ATOM 0 HG3 GLN A 23 16.014 -34.062 14.109 1.00 0.00 H new ATOM 0 HE21 GLN A 23 16.493 -34.160 17.677 1.00 0.00 H new ATOM 0 HE22 GLN A 23 17.184 -35.785 17.709 1.00 0.00 H new ATOM 289 N GLU A 24 17.257 -30.928 13.000 1.00 0.00 N ATOM 290 CA GLU A 24 17.548 -30.874 11.572 1.00 0.00 C ATOM 291 C GLU A 24 17.364 -32.245 10.927 1.00 0.00 C ATOM 292 O GLU A 24 17.187 -32.353 9.714 1.00 0.00 O ATOM 293 CB GLU A 24 18.976 -30.376 11.338 1.00 0.00 C ATOM 294 CG GLU A 24 20.043 -31.313 11.878 1.00 0.00 C ATOM 295 CD GLU A 24 21.290 -31.336 11.014 1.00 0.00 C ATOM 296 OE1 GLU A 24 21.259 -31.976 9.943 1.00 0.00 O ATOM 297 OE2 GLU A 24 22.297 -30.712 11.411 1.00 0.00 O ATOM 0 H GLU A 24 18.011 -30.589 13.598 1.00 0.00 H new ATOM 0 HA GLU A 24 16.848 -30.177 11.111 1.00 0.00 H new ATOM 0 HB2 GLU A 24 19.133 -30.238 10.268 1.00 0.00 H new ATOM 0 HB3 GLU A 24 19.092 -29.398 11.806 1.00 0.00 H new ATOM 0 HG2 GLU A 24 20.312 -31.008 12.889 1.00 0.00 H new ATOM 0 HG3 GLU A 24 19.635 -32.321 11.947 1.00 0.00 H new ATOM 304 N SER A 25 17.407 -33.289 11.748 1.00 0.00 N ATOM 305 CA SER A 25 17.250 -34.654 11.259 1.00 0.00 C ATOM 306 C SER A 25 15.939 -34.809 10.495 1.00 0.00 C ATOM 307 O SER A 25 15.919 -35.308 9.370 1.00 0.00 O ATOM 308 CB SER A 25 17.295 -35.644 12.424 1.00 0.00 C ATOM 309 OG SER A 25 17.573 -36.957 11.967 1.00 0.00 O ATOM 0 H SER A 25 17.549 -33.216 12.755 1.00 0.00 H new ATOM 0 HA SER A 25 18.074 -34.867 10.579 1.00 0.00 H new ATOM 0 HB2 SER A 25 18.058 -35.335 13.139 1.00 0.00 H new ATOM 0 HB3 SER A 25 16.341 -35.633 12.951 1.00 0.00 H new ATOM 0 HG SER A 25 17.598 -37.571 12.731 1.00 0.00 H new ATOM 315 N GLU A 26 14.845 -34.378 11.115 1.00 0.00 N ATOM 316 CA GLU A 26 13.529 -34.469 10.494 1.00 0.00 C ATOM 317 C GLU A 26 13.377 -33.432 9.385 1.00 0.00 C ATOM 318 O GLU A 26 12.842 -33.724 8.315 1.00 0.00 O ATOM 319 CB GLU A 26 12.431 -34.277 11.542 1.00 0.00 C ATOM 320 CG GLU A 26 12.653 -33.073 12.442 1.00 0.00 C ATOM 321 CD GLU A 26 11.443 -32.752 13.297 1.00 0.00 C ATOM 322 OE1 GLU A 26 10.792 -33.701 13.782 1.00 0.00 O ATOM 323 OE2 GLU A 26 11.146 -31.553 13.480 1.00 0.00 O ATOM 0 H GLU A 26 14.844 -33.963 12.047 1.00 0.00 H new ATOM 0 HA GLU A 26 13.431 -35.462 10.054 1.00 0.00 H new ATOM 0 HB2 GLU A 26 11.472 -34.170 11.036 1.00 0.00 H new ATOM 0 HB3 GLU A 26 12.368 -35.174 12.158 1.00 0.00 H new ATOM 0 HG2 GLU A 26 13.510 -33.261 13.088 1.00 0.00 H new ATOM 0 HG3 GLU A 26 12.900 -32.206 11.829 1.00 0.00 H new ATOM 330 N LEU A 27 13.850 -32.219 9.650 1.00 0.00 N ATOM 331 CA LEU A 27 13.767 -31.136 8.676 1.00 0.00 C ATOM 332 C LEU A 27 14.523 -31.492 7.400 1.00 0.00 C ATOM 333 O LEU A 27 14.110 -31.128 6.300 1.00 0.00 O ATOM 334 CB LEU A 27 14.329 -29.844 9.271 1.00 0.00 C ATOM 335 CG LEU A 27 13.474 -29.174 10.348 1.00 0.00 C ATOM 336 CD1 LEU A 27 14.125 -29.323 11.715 1.00 0.00 C ATOM 337 CD2 LEU A 27 13.255 -27.705 10.017 1.00 0.00 C ATOM 0 H LEU A 27 14.295 -31.961 10.531 1.00 0.00 H new ATOM 0 HA LEU A 27 12.717 -30.987 8.425 1.00 0.00 H new ATOM 0 HB2 LEU A 27 15.310 -30.059 9.696 1.00 0.00 H new ATOM 0 HB3 LEU A 27 14.482 -29.131 8.461 1.00 0.00 H new ATOM 0 HG LEU A 27 12.503 -29.669 10.375 1.00 0.00 H new ATOM 0 HD11 LEU A 27 13.503 -28.840 12.469 1.00 0.00 H new ATOM 0 HD12 LEU A 27 14.230 -30.381 11.955 1.00 0.00 H new ATOM 0 HD13 LEU A 27 15.109 -28.854 11.702 1.00 0.00 H new ATOM 0 HD21 LEU A 27 12.645 -27.244 10.794 1.00 0.00 H new ATOM 0 HD22 LEU A 27 14.218 -27.197 9.963 1.00 0.00 H new ATOM 0 HD23 LEU A 27 12.745 -27.620 9.057 1.00 0.00 H new ATOM 349 N ASN A 28 15.632 -32.208 7.555 1.00 0.00 N ATOM 350 CA ASN A 28 16.445 -32.615 6.415 1.00 0.00 C ATOM 351 C ASN A 28 15.812 -33.799 5.691 1.00 0.00 C ATOM 352 O ASN A 28 15.810 -33.858 4.462 1.00 0.00 O ATOM 353 CB ASN A 28 17.858 -32.981 6.875 1.00 0.00 C ATOM 354 CG ASN A 28 18.778 -31.776 6.930 1.00 0.00 C ATOM 355 OD1 ASN A 28 19.100 -31.179 5.903 1.00 0.00 O ATOM 356 ND2 ASN A 28 19.205 -31.414 8.134 1.00 0.00 N ATOM 0 H ASN A 28 15.988 -32.518 8.459 1.00 0.00 H new ATOM 0 HA ASN A 28 16.501 -31.776 5.722 1.00 0.00 H new ATOM 0 HB2 ASN A 28 17.808 -33.442 7.861 1.00 0.00 H new ATOM 0 HB3 ASN A 28 18.277 -33.724 6.197 1.00 0.00 H new ATOM 0 HD21 ASN A 28 19.826 -30.611 8.235 1.00 0.00 H new ATOM 0 HD22 ASN A 28 18.912 -31.939 8.958 1.00 0.00 H new ATOM 363 N GLU A 29 15.274 -34.739 6.461 1.00 0.00 N ATOM 364 CA GLU A 29 14.637 -35.921 5.892 1.00 0.00 C ATOM 365 C GLU A 29 13.313 -35.558 5.225 1.00 0.00 C ATOM 366 O GLU A 29 12.802 -36.305 4.390 1.00 0.00 O ATOM 367 CB GLU A 29 14.403 -36.974 6.977 1.00 0.00 C ATOM 368 CG GLU A 29 15.684 -37.579 7.525 1.00 0.00 C ATOM 369 CD GLU A 29 15.988 -38.940 6.928 1.00 0.00 C ATOM 370 OE1 GLU A 29 15.984 -39.056 5.685 1.00 0.00 O ATOM 371 OE2 GLU A 29 16.228 -39.888 7.704 1.00 0.00 O ATOM 0 H GLU A 29 15.266 -34.705 7.480 1.00 0.00 H new ATOM 0 HA GLU A 29 15.304 -36.333 5.135 1.00 0.00 H new ATOM 0 HB2 GLU A 29 13.846 -36.521 7.797 1.00 0.00 H new ATOM 0 HB3 GLU A 29 13.780 -37.771 6.570 1.00 0.00 H new ATOM 0 HG2 GLU A 29 16.516 -36.904 7.323 1.00 0.00 H new ATOM 0 HG3 GLU A 29 15.604 -37.671 8.608 1.00 0.00 H new ATOM 378 N ILE A 30 12.764 -34.408 5.601 1.00 0.00 N ATOM 379 CA ILE A 30 11.501 -33.946 5.040 1.00 0.00 C ATOM 380 C ILE A 30 11.733 -32.993 3.873 1.00 0.00 C ATOM 381 O ILE A 30 11.186 -33.180 2.786 1.00 0.00 O ATOM 382 CB ILE A 30 10.638 -33.238 6.102 1.00 0.00 C ATOM 383 CG1 ILE A 30 10.234 -34.223 7.201 1.00 0.00 C ATOM 384 CG2 ILE A 30 9.407 -32.620 5.457 1.00 0.00 C ATOM 385 CD1 ILE A 30 9.876 -33.554 8.510 1.00 0.00 C ATOM 0 H ILE A 30 13.174 -33.779 6.292 1.00 0.00 H new ATOM 0 HA ILE A 30 10.972 -34.830 4.684 1.00 0.00 H new ATOM 0 HB ILE A 30 11.226 -32.440 6.555 1.00 0.00 H new ATOM 0 HG12 ILE A 30 9.382 -34.809 6.857 1.00 0.00 H new ATOM 0 HG13 ILE A 30 11.054 -34.921 7.371 1.00 0.00 H new ATOM 0 HG21 ILE A 30 8.807 -32.123 6.220 1.00 0.00 H new ATOM 0 HG22 ILE A 30 9.716 -31.892 4.707 1.00 0.00 H new ATOM 0 HG23 ILE A 30 8.814 -33.401 4.981 1.00 0.00 H new ATOM 0 HD11 ILE A 30 9.600 -34.312 9.243 1.00 0.00 H new ATOM 0 HD12 ILE A 30 10.734 -32.990 8.877 1.00 0.00 H new ATOM 0 HD13 ILE A 30 9.036 -32.877 8.355 1.00 0.00 H new ATOM 397 N PHE A 31 12.551 -31.972 4.104 1.00 0.00 N ATOM 398 CA PHE A 31 12.858 -30.989 3.071 1.00 0.00 C ATOM 399 C PHE A 31 13.969 -31.492 2.154 1.00 0.00 C ATOM 400 O PHE A 31 14.338 -30.829 1.186 1.00 0.00 O ATOM 401 CB PHE A 31 13.270 -29.660 3.708 1.00 0.00 C ATOM 402 CG PHE A 31 12.142 -28.955 4.406 1.00 0.00 C ATOM 403 CD1 PHE A 31 11.578 -29.488 5.554 1.00 0.00 C ATOM 404 CD2 PHE A 31 11.647 -27.758 3.914 1.00 0.00 C ATOM 405 CE1 PHE A 31 10.540 -28.841 6.197 1.00 0.00 C ATOM 406 CE2 PHE A 31 10.609 -27.106 4.554 1.00 0.00 C ATOM 407 CZ PHE A 31 10.056 -27.648 5.697 1.00 0.00 C ATOM 0 H PHE A 31 13.013 -31.803 4.997 1.00 0.00 H new ATOM 0 HA PHE A 31 11.960 -30.835 2.473 1.00 0.00 H new ATOM 0 HB2 PHE A 31 14.072 -29.842 4.423 1.00 0.00 H new ATOM 0 HB3 PHE A 31 13.674 -29.006 2.936 1.00 0.00 H new ATOM 0 HD1 PHE A 31 11.954 -30.420 5.951 1.00 0.00 H new ATOM 0 HD2 PHE A 31 12.077 -27.329 3.021 1.00 0.00 H new ATOM 0 HE1 PHE A 31 10.108 -29.268 7.090 1.00 0.00 H new ATOM 0 HE2 PHE A 31 10.231 -26.174 4.160 1.00 0.00 H new ATOM 0 HZ PHE A 31 9.246 -27.140 6.199 1.00 0.00 H new ATOM 417 N GLY A 32 14.499 -32.671 2.468 1.00 0.00 N ATOM 418 CA GLY A 32 15.562 -33.244 1.664 1.00 0.00 C ATOM 419 C GLY A 32 15.187 -33.355 0.200 1.00 0.00 C ATOM 420 O GLY A 32 15.825 -32.767 -0.673 1.00 0.00 O ATOM 0 H GLY A 32 14.211 -33.239 3.265 1.00 0.00 H new ATOM 0 HA2 GLY A 32 16.458 -32.630 1.761 1.00 0.00 H new ATOM 0 HA3 GLY A 32 15.811 -34.233 2.048 1.00 0.00 H new ATOM 424 N PRO A 33 14.127 -34.126 -0.086 1.00 0.00 N ATOM 425 CA PRO A 33 13.645 -34.332 -1.455 1.00 0.00 C ATOM 426 C PRO A 33 13.011 -33.075 -2.041 1.00 0.00 C ATOM 427 O PRO A 33 11.833 -33.070 -2.399 1.00 0.00 O ATOM 428 CB PRO A 33 12.596 -35.436 -1.299 1.00 0.00 C ATOM 429 CG PRO A 33 12.128 -35.318 0.111 1.00 0.00 C ATOM 430 CD PRO A 33 13.319 -34.857 0.905 1.00 0.00 C ATOM 0 HA PRO A 33 14.455 -34.588 -2.138 1.00 0.00 H new ATOM 0 HB2 PRO A 33 11.773 -35.303 -2.002 1.00 0.00 H new ATOM 0 HB3 PRO A 33 13.024 -36.419 -1.493 1.00 0.00 H new ATOM 0 HG2 PRO A 33 11.306 -34.606 0.191 1.00 0.00 H new ATOM 0 HG3 PRO A 33 11.759 -36.274 0.481 1.00 0.00 H new ATOM 0 HD2 PRO A 33 13.024 -34.215 1.735 1.00 0.00 H new ATOM 0 HD3 PRO A 33 13.868 -35.697 1.330 1.00 0.00 H new ATOM 438 N PHE A 34 13.800 -32.010 -2.138 1.00 0.00 N ATOM 439 CA PHE A 34 13.316 -30.746 -2.680 1.00 0.00 C ATOM 440 C PHE A 34 14.436 -29.998 -3.398 1.00 0.00 C ATOM 441 O PHE A 34 14.228 -29.422 -4.465 1.00 0.00 O ATOM 442 CB PHE A 34 12.739 -29.875 -1.563 1.00 0.00 C ATOM 443 CG PHE A 34 11.327 -30.231 -1.193 1.00 0.00 C ATOM 444 CD1 PHE A 34 10.402 -30.559 -2.172 1.00 0.00 C ATOM 445 CD2 PHE A 34 10.925 -30.238 0.133 1.00 0.00 C ATOM 446 CE1 PHE A 34 9.103 -30.888 -1.835 1.00 0.00 C ATOM 447 CE2 PHE A 34 9.627 -30.567 0.475 1.00 0.00 C ATOM 448 CZ PHE A 34 8.715 -30.891 -0.510 1.00 0.00 C ATOM 0 H PHE A 34 14.778 -31.997 -1.848 1.00 0.00 H new ATOM 0 HA PHE A 34 12.529 -30.966 -3.402 1.00 0.00 H new ATOM 0 HB2 PHE A 34 13.371 -29.965 -0.680 1.00 0.00 H new ATOM 0 HB3 PHE A 34 12.772 -28.831 -1.874 1.00 0.00 H new ATOM 0 HD1 PHE A 34 10.700 -30.557 -3.210 1.00 0.00 H new ATOM 0 HD2 PHE A 34 11.633 -29.984 0.907 1.00 0.00 H new ATOM 0 HE1 PHE A 34 8.392 -31.142 -2.607 1.00 0.00 H new ATOM 0 HE2 PHE A 34 9.326 -30.571 1.512 1.00 0.00 H new ATOM 0 HZ PHE A 34 7.700 -31.146 -0.244 1.00 0.00 H new ATOM 458 N GLY A 35 15.624 -30.010 -2.802 1.00 0.00 N ATOM 459 CA GLY A 35 16.759 -29.329 -3.397 1.00 0.00 C ATOM 460 C GLY A 35 17.930 -29.210 -2.441 1.00 0.00 C ATOM 461 O GLY A 35 17.854 -29.611 -1.279 1.00 0.00 O ATOM 0 H GLY A 35 15.821 -30.479 -1.918 1.00 0.00 H new ATOM 0 HA2 GLY A 35 17.076 -29.869 -4.289 1.00 0.00 H new ATOM 0 HA3 GLY A 35 16.454 -28.333 -3.718 1.00 0.00 H new ATOM 465 N PRO A 36 19.045 -28.648 -2.932 1.00 0.00 N ATOM 466 CA PRO A 36 20.258 -28.466 -2.130 1.00 0.00 C ATOM 467 C PRO A 36 20.084 -27.406 -1.047 1.00 0.00 C ATOM 468 O PRO A 36 20.305 -26.220 -1.286 1.00 0.00 O ATOM 469 CB PRO A 36 21.298 -28.014 -3.158 1.00 0.00 C ATOM 470 CG PRO A 36 20.503 -27.388 -4.251 1.00 0.00 C ATOM 471 CD PRO A 36 19.206 -28.148 -4.307 1.00 0.00 C ATOM 0 HA PRO A 36 20.533 -29.375 -1.596 1.00 0.00 H new ATOM 0 HB2 PRO A 36 22.001 -27.304 -2.723 1.00 0.00 H new ATOM 0 HB3 PRO A 36 21.883 -28.857 -3.527 1.00 0.00 H new ATOM 0 HG2 PRO A 36 20.328 -26.331 -4.050 1.00 0.00 H new ATOM 0 HG3 PRO A 36 21.032 -27.448 -5.202 1.00 0.00 H new ATOM 0 HD2 PRO A 36 18.376 -27.505 -4.601 1.00 0.00 H new ATOM 0 HD3 PRO A 36 19.249 -28.964 -5.029 1.00 0.00 H new ATOM 479 N MET A 37 19.686 -27.843 0.144 1.00 0.00 N ATOM 480 CA MET A 37 19.484 -26.931 1.263 1.00 0.00 C ATOM 481 C MET A 37 20.780 -26.211 1.619 1.00 0.00 C ATOM 482 O MET A 37 21.718 -26.817 2.138 1.00 0.00 O ATOM 483 CB MET A 37 18.960 -27.694 2.482 1.00 0.00 C ATOM 484 CG MET A 37 19.736 -28.967 2.782 1.00 0.00 C ATOM 485 SD MET A 37 20.539 -28.927 4.395 1.00 0.00 S ATOM 486 CE MET A 37 21.756 -30.227 4.200 1.00 0.00 C ATOM 0 H MET A 37 19.497 -28.822 0.358 1.00 0.00 H new ATOM 0 HA MET A 37 18.746 -26.187 0.964 1.00 0.00 H new ATOM 0 HB2 MET A 37 18.999 -27.041 3.354 1.00 0.00 H new ATOM 0 HB3 MET A 37 17.912 -27.947 2.319 1.00 0.00 H new ATOM 0 HG2 MET A 37 19.058 -29.820 2.739 1.00 0.00 H new ATOM 0 HG3 MET A 37 20.489 -29.119 2.009 1.00 0.00 H new ATOM 0 HE1 MET A 37 22.335 -30.324 5.118 1.00 0.00 H new ATOM 0 HE2 MET A 37 21.251 -31.169 3.988 1.00 0.00 H new ATOM 0 HE3 MET A 37 22.424 -29.980 3.375 1.00 0.00 H new ATOM 496 N LYS A 38 20.827 -24.913 1.335 1.00 0.00 N ATOM 497 CA LYS A 38 22.008 -24.109 1.625 1.00 0.00 C ATOM 498 C LYS A 38 22.280 -24.062 3.126 1.00 0.00 C ATOM 499 O LYS A 38 23.431 -23.997 3.555 1.00 0.00 O ATOM 500 CB LYS A 38 21.828 -22.688 1.085 1.00 0.00 C ATOM 501 CG LYS A 38 22.905 -21.721 1.546 1.00 0.00 C ATOM 502 CD LYS A 38 22.760 -20.365 0.876 1.00 0.00 C ATOM 503 CE LYS A 38 23.069 -20.443 -0.611 1.00 0.00 C ATOM 504 NZ LYS A 38 23.617 -19.159 -1.132 1.00 0.00 N ATOM 0 H LYS A 38 20.060 -24.396 0.904 1.00 0.00 H new ATOM 0 HA LYS A 38 22.862 -24.574 1.133 1.00 0.00 H new ATOM 0 HB2 LYS A 38 21.823 -22.720 -0.005 1.00 0.00 H new ATOM 0 HB3 LYS A 38 20.854 -22.310 1.397 1.00 0.00 H new ATOM 0 HG2 LYS A 38 22.849 -21.601 2.628 1.00 0.00 H new ATOM 0 HG3 LYS A 38 23.888 -22.136 1.322 1.00 0.00 H new ATOM 0 HD2 LYS A 38 21.745 -19.994 1.019 1.00 0.00 H new ATOM 0 HD3 LYS A 38 23.431 -19.649 1.351 1.00 0.00 H new ATOM 0 HE2 LYS A 38 23.786 -21.244 -0.791 1.00 0.00 H new ATOM 0 HE3 LYS A 38 22.161 -20.699 -1.158 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 23.815 -19.253 -2.149 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 22.923 -18.399 -0.983 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 24.497 -18.927 -0.628 1.00 0.00 H new ATOM 518 N GLU A 39 21.212 -24.099 3.917 1.00 0.00 N ATOM 519 CA GLU A 39 21.338 -24.061 5.370 1.00 0.00 C ATOM 520 C GLU A 39 20.021 -24.442 6.039 1.00 0.00 C ATOM 521 O GLU A 39 18.968 -24.456 5.401 1.00 0.00 O ATOM 522 CB GLU A 39 21.773 -22.669 5.831 1.00 0.00 C ATOM 523 CG GLU A 39 22.672 -22.686 7.055 1.00 0.00 C ATOM 524 CD GLU A 39 23.926 -23.514 6.846 1.00 0.00 C ATOM 525 OE1 GLU A 39 24.590 -23.332 5.805 1.00 0.00 O ATOM 526 OE2 GLU A 39 24.242 -24.345 7.724 1.00 0.00 O ATOM 0 H GLU A 39 20.252 -24.155 3.577 1.00 0.00 H new ATOM 0 HA GLU A 39 22.098 -24.786 5.662 1.00 0.00 H new ATOM 0 HB2 GLU A 39 22.296 -22.172 5.014 1.00 0.00 H new ATOM 0 HB3 GLU A 39 20.886 -22.075 6.050 1.00 0.00 H new ATOM 0 HG2 GLU A 39 22.954 -21.664 7.308 1.00 0.00 H new ATOM 0 HG3 GLU A 39 22.116 -23.083 7.904 1.00 0.00 H new ATOM 533 N VAL A 40 20.088 -24.753 7.330 1.00 0.00 N ATOM 534 CA VAL A 40 18.902 -25.134 8.088 1.00 0.00 C ATOM 535 C VAL A 40 19.036 -24.740 9.554 1.00 0.00 C ATOM 536 O VAL A 40 20.052 -25.018 10.193 1.00 0.00 O ATOM 537 CB VAL A 40 18.640 -26.649 7.996 1.00 0.00 C ATOM 538 CG1 VAL A 40 18.002 -27.001 6.661 1.00 0.00 C ATOM 539 CG2 VAL A 40 19.932 -27.425 8.200 1.00 0.00 C ATOM 0 H VAL A 40 20.952 -24.748 7.873 1.00 0.00 H new ATOM 0 HA VAL A 40 18.060 -24.600 7.648 1.00 0.00 H new ATOM 0 HB VAL A 40 17.945 -26.929 8.788 1.00 0.00 H new ATOM 0 HG11 VAL A 40 17.825 -28.075 6.615 1.00 0.00 H new ATOM 0 HG12 VAL A 40 17.054 -26.472 6.560 1.00 0.00 H new ATOM 0 HG13 VAL A 40 18.669 -26.708 5.850 1.00 0.00 H new ATOM 0 HG21 VAL A 40 19.729 -28.494 8.132 1.00 0.00 H new ATOM 0 HG22 VAL A 40 20.651 -27.143 7.431 1.00 0.00 H new ATOM 0 HG23 VAL A 40 20.343 -27.196 9.183 1.00 0.00 H new ATOM 549 N LYS A 41 18.005 -24.091 10.084 1.00 0.00 N ATOM 550 CA LYS A 41 18.006 -23.660 11.477 1.00 0.00 C ATOM 551 C LYS A 41 16.880 -24.333 12.255 1.00 0.00 C ATOM 552 O LYS A 41 15.738 -24.382 11.797 1.00 0.00 O ATOM 553 CB LYS A 41 17.859 -22.139 11.561 1.00 0.00 C ATOM 554 CG LYS A 41 18.549 -21.398 10.428 1.00 0.00 C ATOM 555 CD LYS A 41 20.048 -21.644 10.432 1.00 0.00 C ATOM 556 CE LYS A 41 20.682 -21.206 11.743 1.00 0.00 C ATOM 557 NZ LYS A 41 21.845 -20.304 11.523 1.00 0.00 N ATOM 0 H LYS A 41 17.157 -23.852 9.570 1.00 0.00 H new ATOM 0 HA LYS A 41 18.957 -23.953 11.922 1.00 0.00 H new ATOM 0 HB2 LYS A 41 16.799 -21.884 11.559 1.00 0.00 H new ATOM 0 HB3 LYS A 41 18.267 -21.795 12.511 1.00 0.00 H new ATOM 0 HG2 LYS A 41 18.129 -21.718 9.474 1.00 0.00 H new ATOM 0 HG3 LYS A 41 18.355 -20.329 10.519 1.00 0.00 H new ATOM 0 HD2 LYS A 41 20.244 -22.704 10.268 1.00 0.00 H new ATOM 0 HD3 LYS A 41 20.509 -21.103 9.605 1.00 0.00 H new ATOM 0 HE2 LYS A 41 19.937 -20.696 12.354 1.00 0.00 H new ATOM 0 HE3 LYS A 41 21.005 -22.085 12.302 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 22.249 -20.028 12.441 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 22.567 -20.799 10.962 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 21.533 -19.453 11.012 1.00 0.00 H new ATOM 571 N ILE A 42 17.209 -24.850 13.435 1.00 0.00 N ATOM 572 CA ILE A 42 16.225 -25.517 14.277 1.00 0.00 C ATOM 573 C ILE A 42 16.210 -24.924 15.682 1.00 0.00 C ATOM 574 O ILE A 42 17.149 -25.111 16.456 1.00 0.00 O ATOM 575 CB ILE A 42 16.500 -27.030 14.374 1.00 0.00 C ATOM 576 CG1 ILE A 42 17.343 -27.494 13.184 1.00 0.00 C ATOM 577 CG2 ILE A 42 15.191 -27.803 14.436 1.00 0.00 C ATOM 578 CD1 ILE A 42 16.641 -27.348 11.852 1.00 0.00 C ATOM 0 H ILE A 42 18.150 -24.819 13.829 1.00 0.00 H new ATOM 0 HA ILE A 42 15.253 -25.361 13.809 1.00 0.00 H new ATOM 0 HB ILE A 42 17.059 -27.225 15.289 1.00 0.00 H new ATOM 0 HG12 ILE A 42 18.270 -26.922 13.161 1.00 0.00 H new ATOM 0 HG13 ILE A 42 17.617 -28.539 13.329 1.00 0.00 H new ATOM 0 HG21 ILE A 42 15.402 -28.870 14.504 1.00 0.00 H new ATOM 0 HG22 ILE A 42 14.624 -27.488 15.312 1.00 0.00 H new ATOM 0 HG23 ILE A 42 14.609 -27.605 13.536 1.00 0.00 H new ATOM 0 HD11 ILE A 42 17.298 -27.696 11.055 1.00 0.00 H new ATOM 0 HD12 ILE A 42 15.727 -27.942 11.855 1.00 0.00 H new ATOM 0 HD13 ILE A 42 16.391 -26.300 11.685 1.00 0.00 H new ATOM 590 N LEU A 43 15.138 -24.209 16.005 1.00 0.00 N ATOM 591 CA LEU A 43 14.999 -23.589 17.318 1.00 0.00 C ATOM 592 C LEU A 43 13.709 -24.036 17.997 1.00 0.00 C ATOM 593 O LEU A 43 12.692 -24.251 17.340 1.00 0.00 O ATOM 594 CB LEU A 43 15.019 -22.065 17.188 1.00 0.00 C ATOM 595 CG LEU A 43 16.151 -21.477 16.345 1.00 0.00 C ATOM 596 CD1 LEU A 43 15.867 -20.021 16.010 1.00 0.00 C ATOM 597 CD2 LEU A 43 17.481 -21.610 17.072 1.00 0.00 C ATOM 0 H LEU A 43 14.352 -24.044 15.376 1.00 0.00 H new ATOM 0 HA LEU A 43 15.841 -23.906 17.934 1.00 0.00 H new ATOM 0 HB2 LEU A 43 14.070 -21.745 16.759 1.00 0.00 H new ATOM 0 HB3 LEU A 43 15.078 -21.636 18.188 1.00 0.00 H new ATOM 0 HG LEU A 43 16.212 -22.037 15.412 1.00 0.00 H new ATOM 0 HD11 LEU A 43 16.684 -19.620 15.410 1.00 0.00 H new ATOM 0 HD12 LEU A 43 14.936 -19.952 15.448 1.00 0.00 H new ATOM 0 HD13 LEU A 43 15.778 -19.446 16.932 1.00 0.00 H new ATOM 0 HD21 LEU A 43 18.275 -21.186 16.458 1.00 0.00 H new ATOM 0 HD22 LEU A 43 17.432 -21.076 18.021 1.00 0.00 H new ATOM 0 HD23 LEU A 43 17.690 -22.663 17.259 1.00 0.00 H new ATOM 609 N ASN A 44 13.759 -24.172 19.319 1.00 0.00 N ATOM 610 CA ASN A 44 12.593 -24.592 20.088 1.00 0.00 C ATOM 611 C ASN A 44 11.482 -23.550 20.004 1.00 0.00 C ATOM 612 O ASN A 44 11.461 -22.586 20.768 1.00 0.00 O ATOM 613 CB ASN A 44 12.979 -24.826 21.550 1.00 0.00 C ATOM 614 CG ASN A 44 12.198 -25.964 22.179 1.00 0.00 C ATOM 615 OD1 ASN A 44 11.463 -25.766 23.147 1.00 0.00 O ATOM 616 ND2 ASN A 44 12.353 -27.163 21.630 1.00 0.00 N ATOM 0 H ASN A 44 14.594 -23.998 19.879 1.00 0.00 H new ATOM 0 HA ASN A 44 12.224 -25.525 19.662 1.00 0.00 H new ATOM 0 HB2 ASN A 44 14.045 -25.043 21.611 1.00 0.00 H new ATOM 0 HB3 ASN A 44 12.807 -23.912 22.119 1.00 0.00 H new ATOM 0 HD21 ASN A 44 11.852 -27.966 22.010 1.00 0.00 H new ATOM 0 HD22 ASN A 44 12.973 -27.281 20.828 1.00 0.00 H new ATOM 623 N GLY A 45 10.558 -23.753 19.070 1.00 0.00 N ATOM 624 CA GLY A 45 9.455 -22.824 18.903 1.00 0.00 C ATOM 625 C GLY A 45 9.280 -22.384 17.463 1.00 0.00 C ATOM 626 O GLY A 45 8.238 -21.843 17.094 1.00 0.00 O ATOM 0 H GLY A 45 10.553 -24.544 18.426 1.00 0.00 H new ATOM 0 HA2 GLY A 45 8.534 -23.292 19.251 1.00 0.00 H new ATOM 0 HA3 GLY A 45 9.624 -21.948 19.529 1.00 0.00 H new ATOM 630 N PHE A 46 10.303 -22.615 16.647 1.00 0.00 N ATOM 631 CA PHE A 46 10.258 -22.237 15.240 1.00 0.00 C ATOM 632 C PHE A 46 11.401 -22.887 14.465 1.00 0.00 C ATOM 633 O PHE A 46 12.489 -23.096 15.001 1.00 0.00 O ATOM 634 CB PHE A 46 10.332 -20.715 15.096 1.00 0.00 C ATOM 635 CG PHE A 46 10.888 -20.025 16.309 1.00 0.00 C ATOM 636 CD1 PHE A 46 12.254 -19.990 16.536 1.00 0.00 C ATOM 637 CD2 PHE A 46 10.045 -19.410 17.220 1.00 0.00 C ATOM 638 CE1 PHE A 46 12.768 -19.356 17.652 1.00 0.00 C ATOM 639 CE2 PHE A 46 10.553 -18.774 18.337 1.00 0.00 C ATOM 640 CZ PHE A 46 11.917 -18.746 18.552 1.00 0.00 C ATOM 0 H PHE A 46 11.173 -23.062 16.936 1.00 0.00 H new ATOM 0 HA PHE A 46 9.314 -22.590 14.825 1.00 0.00 H new ATOM 0 HB2 PHE A 46 10.950 -20.469 14.233 1.00 0.00 H new ATOM 0 HB3 PHE A 46 9.333 -20.328 14.893 1.00 0.00 H new ATOM 0 HD1 PHE A 46 12.925 -20.463 15.834 1.00 0.00 H new ATOM 0 HD2 PHE A 46 8.978 -19.428 17.055 1.00 0.00 H new ATOM 0 HE1 PHE A 46 13.835 -19.338 17.820 1.00 0.00 H new ATOM 0 HE2 PHE A 46 9.885 -18.300 19.040 1.00 0.00 H new ATOM 0 HZ PHE A 46 12.317 -18.248 19.423 1.00 0.00 H new ATOM 650 N ALA A 47 11.144 -23.206 13.201 1.00 0.00 N ATOM 651 CA ALA A 47 12.151 -23.832 12.351 1.00 0.00 C ATOM 652 C ALA A 47 12.382 -23.017 11.083 1.00 0.00 C ATOM 653 O ALA A 47 11.487 -22.313 10.614 1.00 0.00 O ATOM 654 CB ALA A 47 11.735 -25.253 12.000 1.00 0.00 C ATOM 0 H ALA A 47 10.248 -23.042 12.743 1.00 0.00 H new ATOM 0 HA ALA A 47 13.089 -23.866 12.905 1.00 0.00 H new ATOM 0 HB1 ALA A 47 12.495 -25.708 11.365 1.00 0.00 H new ATOM 0 HB2 ALA A 47 11.628 -25.837 12.914 1.00 0.00 H new ATOM 0 HB3 ALA A 47 10.783 -25.233 11.469 1.00 0.00 H new ATOM 660 N PHE A 48 13.587 -23.117 10.533 1.00 0.00 N ATOM 661 CA PHE A 48 13.936 -22.388 9.319 1.00 0.00 C ATOM 662 C PHE A 48 14.745 -23.268 8.370 1.00 0.00 C ATOM 663 O PHE A 48 15.554 -24.088 8.803 1.00 0.00 O ATOM 664 CB PHE A 48 14.731 -21.128 9.667 1.00 0.00 C ATOM 665 CG PHE A 48 14.097 -20.299 10.747 1.00 0.00 C ATOM 666 CD1 PHE A 48 13.179 -19.310 10.432 1.00 0.00 C ATOM 667 CD2 PHE A 48 14.421 -20.508 12.078 1.00 0.00 C ATOM 668 CE1 PHE A 48 12.594 -18.546 11.424 1.00 0.00 C ATOM 669 CE2 PHE A 48 13.839 -19.747 13.074 1.00 0.00 C ATOM 670 CZ PHE A 48 12.925 -18.764 12.747 1.00 0.00 C ATOM 0 H PHE A 48 14.339 -23.696 10.908 1.00 0.00 H new ATOM 0 HA PHE A 48 13.011 -22.099 8.819 1.00 0.00 H new ATOM 0 HB2 PHE A 48 15.734 -21.416 9.983 1.00 0.00 H new ATOM 0 HB3 PHE A 48 14.842 -20.519 8.770 1.00 0.00 H new ATOM 0 HD1 PHE A 48 12.918 -19.134 9.399 1.00 0.00 H new ATOM 0 HD2 PHE A 48 15.136 -21.274 12.340 1.00 0.00 H new ATOM 0 HE1 PHE A 48 11.879 -17.779 11.165 1.00 0.00 H new ATOM 0 HE2 PHE A 48 14.099 -19.921 14.108 1.00 0.00 H new ATOM 0 HZ PHE A 48 12.470 -18.167 13.524 1.00 0.00 H new ATOM 680 N VAL A 49 14.520 -23.091 7.072 1.00 0.00 N ATOM 681 CA VAL A 49 15.227 -23.867 6.060 1.00 0.00 C ATOM 682 C VAL A 49 15.540 -23.016 4.834 1.00 0.00 C ATOM 683 O VAL A 49 14.639 -22.619 4.097 1.00 0.00 O ATOM 684 CB VAL A 49 14.410 -25.097 5.623 1.00 0.00 C ATOM 685 CG1 VAL A 49 15.154 -25.880 4.552 1.00 0.00 C ATOM 686 CG2 VAL A 49 14.096 -25.981 6.821 1.00 0.00 C ATOM 0 H VAL A 49 13.853 -22.417 6.696 1.00 0.00 H new ATOM 0 HA VAL A 49 16.160 -24.203 6.513 1.00 0.00 H new ATOM 0 HB VAL A 49 13.467 -24.753 5.198 1.00 0.00 H new ATOM 0 HG11 VAL A 49 14.561 -26.745 4.256 1.00 0.00 H new ATOM 0 HG12 VAL A 49 15.322 -25.241 3.685 1.00 0.00 H new ATOM 0 HG13 VAL A 49 16.113 -26.215 4.947 1.00 0.00 H new ATOM 0 HG21 VAL A 49 13.518 -26.845 6.494 1.00 0.00 H new ATOM 0 HG22 VAL A 49 15.026 -26.318 7.278 1.00 0.00 H new ATOM 0 HG23 VAL A 49 13.518 -25.413 7.551 1.00 0.00 H new ATOM 696 N GLU A 50 16.824 -22.741 4.623 1.00 0.00 N ATOM 697 CA GLU A 50 17.255 -21.937 3.486 1.00 0.00 C ATOM 698 C GLU A 50 17.818 -22.821 2.377 1.00 0.00 C ATOM 699 O GLU A 50 18.856 -23.461 2.544 1.00 0.00 O ATOM 700 CB GLU A 50 18.308 -20.917 3.924 1.00 0.00 C ATOM 701 CG GLU A 50 18.934 -20.155 2.769 1.00 0.00 C ATOM 702 CD GLU A 50 19.321 -18.738 3.147 1.00 0.00 C ATOM 703 OE1 GLU A 50 19.692 -18.516 4.318 1.00 0.00 O ATOM 704 OE2 GLU A 50 19.252 -17.851 2.270 1.00 0.00 O ATOM 0 H GLU A 50 17.582 -23.063 5.224 1.00 0.00 H new ATOM 0 HA GLU A 50 16.385 -21.407 3.098 1.00 0.00 H new ATOM 0 HB2 GLU A 50 17.849 -20.206 4.611 1.00 0.00 H new ATOM 0 HB3 GLU A 50 19.094 -21.433 4.476 1.00 0.00 H new ATOM 0 HG2 GLU A 50 19.819 -20.689 2.423 1.00 0.00 H new ATOM 0 HG3 GLU A 50 18.233 -20.126 1.935 1.00 0.00 H new ATOM 711 N PHE A 51 17.124 -22.852 1.244 1.00 0.00 N ATOM 712 CA PHE A 51 17.553 -23.659 0.107 1.00 0.00 C ATOM 713 C PHE A 51 18.545 -22.890 -0.761 1.00 0.00 C ATOM 714 O PHE A 51 18.512 -21.662 -0.821 1.00 0.00 O ATOM 715 CB PHE A 51 16.345 -24.080 -0.732 1.00 0.00 C ATOM 716 CG PHE A 51 15.685 -25.338 -0.243 1.00 0.00 C ATOM 717 CD1 PHE A 51 16.351 -26.552 -0.300 1.00 0.00 C ATOM 718 CD2 PHE A 51 14.400 -25.307 0.273 1.00 0.00 C ATOM 719 CE1 PHE A 51 15.747 -27.711 0.149 1.00 0.00 C ATOM 720 CE2 PHE A 51 13.791 -26.463 0.724 1.00 0.00 C ATOM 721 CZ PHE A 51 14.465 -27.667 0.661 1.00 0.00 C ATOM 0 H PHE A 51 16.263 -22.328 1.089 1.00 0.00 H new ATOM 0 HA PHE A 51 18.048 -24.551 0.492 1.00 0.00 H new ATOM 0 HB2 PHE A 51 15.614 -23.272 -0.732 1.00 0.00 H new ATOM 0 HB3 PHE A 51 16.662 -24.223 -1.765 1.00 0.00 H new ATOM 0 HD1 PHE A 51 17.353 -26.593 -0.700 1.00 0.00 H new ATOM 0 HD2 PHE A 51 13.868 -24.369 0.324 1.00 0.00 H new ATOM 0 HE1 PHE A 51 16.277 -28.651 0.100 1.00 0.00 H new ATOM 0 HE2 PHE A 51 12.789 -26.425 1.125 1.00 0.00 H new ATOM 0 HZ PHE A 51 13.991 -28.572 1.011 1.00 0.00 H new ATOM 731 N GLU A 52 19.428 -23.624 -1.432 1.00 0.00 N ATOM 732 CA GLU A 52 20.431 -23.012 -2.295 1.00 0.00 C ATOM 733 C GLU A 52 19.819 -22.595 -3.629 1.00 0.00 C ATOM 734 O GLU A 52 20.504 -22.053 -4.496 1.00 0.00 O ATOM 735 CB GLU A 52 21.590 -23.982 -2.535 1.00 0.00 C ATOM 736 CG GLU A 52 22.858 -23.304 -3.028 1.00 0.00 C ATOM 737 CD GLU A 52 24.079 -24.196 -2.911 1.00 0.00 C ATOM 738 OE1 GLU A 52 24.172 -24.946 -1.916 1.00 0.00 O ATOM 739 OE2 GLU A 52 24.941 -24.144 -3.813 1.00 0.00 O ATOM 0 H GLU A 52 19.469 -24.642 -1.394 1.00 0.00 H new ATOM 0 HA GLU A 52 20.810 -22.121 -1.794 1.00 0.00 H new ATOM 0 HB2 GLU A 52 21.808 -24.511 -1.607 1.00 0.00 H new ATOM 0 HB3 GLU A 52 21.281 -24.731 -3.264 1.00 0.00 H new ATOM 0 HG2 GLU A 52 22.727 -23.009 -4.069 1.00 0.00 H new ATOM 0 HG3 GLU A 52 23.023 -22.391 -2.456 1.00 0.00 H new ATOM 746 N GLU A 53 18.524 -22.852 -3.786 1.00 0.00 N ATOM 747 CA GLU A 53 17.820 -22.505 -5.014 1.00 0.00 C ATOM 748 C GLU A 53 16.426 -21.963 -4.708 1.00 0.00 C ATOM 749 O GLU A 53 15.628 -22.618 -4.038 1.00 0.00 O ATOM 750 CB GLU A 53 17.715 -23.725 -5.931 1.00 0.00 C ATOM 751 CG GLU A 53 18.915 -23.905 -6.845 1.00 0.00 C ATOM 752 CD GLU A 53 18.654 -24.896 -7.962 1.00 0.00 C ATOM 753 OE1 GLU A 53 18.039 -24.500 -8.974 1.00 0.00 O ATOM 754 OE2 GLU A 53 19.065 -26.068 -7.825 1.00 0.00 O ATOM 0 H GLU A 53 17.942 -23.299 -3.078 1.00 0.00 H new ATOM 0 HA GLU A 53 18.390 -21.727 -5.521 1.00 0.00 H new ATOM 0 HB2 GLU A 53 17.598 -24.620 -5.319 1.00 0.00 H new ATOM 0 HB3 GLU A 53 16.815 -23.635 -6.540 1.00 0.00 H new ATOM 0 HG2 GLU A 53 19.187 -22.941 -7.276 1.00 0.00 H new ATOM 0 HG3 GLU A 53 19.768 -24.243 -6.256 1.00 0.00 H new ATOM 761 N ALA A 54 16.142 -20.764 -5.204 1.00 0.00 N ATOM 762 CA ALA A 54 14.845 -20.134 -4.985 1.00 0.00 C ATOM 763 C ALA A 54 13.707 -21.070 -5.378 1.00 0.00 C ATOM 764 O ALA A 54 12.687 -21.142 -4.694 1.00 0.00 O ATOM 765 CB ALA A 54 14.753 -18.831 -5.765 1.00 0.00 C ATOM 0 H ALA A 54 16.792 -20.209 -5.760 1.00 0.00 H new ATOM 0 HA ALA A 54 14.750 -19.915 -3.921 1.00 0.00 H new ATOM 0 HB1 ALA A 54 13.780 -18.372 -5.592 1.00 0.00 H new ATOM 0 HB2 ALA A 54 15.539 -18.152 -5.433 1.00 0.00 H new ATOM 0 HB3 ALA A 54 14.874 -19.034 -6.829 1.00 0.00 H new ATOM 771 N GLU A 55 13.890 -21.785 -6.484 1.00 0.00 N ATOM 772 CA GLU A 55 12.877 -22.716 -6.967 1.00 0.00 C ATOM 773 C GLU A 55 12.578 -23.786 -5.922 1.00 0.00 C ATOM 774 O GLU A 55 11.423 -24.012 -5.561 1.00 0.00 O ATOM 775 CB GLU A 55 13.337 -23.373 -8.270 1.00 0.00 C ATOM 776 CG GLU A 55 12.196 -23.921 -9.111 1.00 0.00 C ATOM 777 CD GLU A 55 12.678 -24.581 -10.388 1.00 0.00 C ATOM 778 OE1 GLU A 55 13.226 -23.869 -11.255 1.00 0.00 O ATOM 779 OE2 GLU A 55 12.508 -25.811 -10.520 1.00 0.00 O ATOM 0 H GLU A 55 14.729 -21.737 -7.062 1.00 0.00 H new ATOM 0 HA GLU A 55 11.963 -22.153 -7.155 1.00 0.00 H new ATOM 0 HB2 GLU A 55 13.893 -22.643 -8.858 1.00 0.00 H new ATOM 0 HB3 GLU A 55 14.026 -24.184 -8.035 1.00 0.00 H new ATOM 0 HG2 GLU A 55 11.631 -24.645 -8.523 1.00 0.00 H new ATOM 0 HG3 GLU A 55 11.512 -23.110 -9.361 1.00 0.00 H new ATOM 786 N SER A 56 13.628 -24.444 -5.440 1.00 0.00 N ATOM 787 CA SER A 56 13.479 -25.494 -4.439 1.00 0.00 C ATOM 788 C SER A 56 12.730 -24.976 -3.215 1.00 0.00 C ATOM 789 O SER A 56 11.929 -25.692 -2.615 1.00 0.00 O ATOM 790 CB SER A 56 14.851 -26.029 -4.023 1.00 0.00 C ATOM 791 OG SER A 56 15.442 -26.783 -5.067 1.00 0.00 O ATOM 0 H SER A 56 14.591 -24.268 -5.727 1.00 0.00 H new ATOM 0 HA SER A 56 12.899 -26.304 -4.882 1.00 0.00 H new ATOM 0 HB2 SER A 56 15.503 -25.198 -3.756 1.00 0.00 H new ATOM 0 HB3 SER A 56 14.748 -26.651 -3.134 1.00 0.00 H new ATOM 0 HG SER A 56 15.031 -27.672 -5.102 1.00 0.00 H new ATOM 797 N ALA A 57 12.997 -23.726 -2.851 1.00 0.00 N ATOM 798 CA ALA A 57 12.348 -23.110 -1.701 1.00 0.00 C ATOM 799 C ALA A 57 10.883 -22.805 -1.995 1.00 0.00 C ATOM 800 O ALA A 57 9.994 -23.196 -1.240 1.00 0.00 O ATOM 801 CB ALA A 57 13.083 -21.840 -1.297 1.00 0.00 C ATOM 0 H ALA A 57 13.659 -23.120 -3.336 1.00 0.00 H new ATOM 0 HA ALA A 57 12.385 -23.817 -0.872 1.00 0.00 H new ATOM 0 HB1 ALA A 57 12.587 -21.391 -0.437 1.00 0.00 H new ATOM 0 HB2 ALA A 57 14.113 -22.083 -1.036 1.00 0.00 H new ATOM 0 HB3 ALA A 57 13.076 -21.135 -2.129 1.00 0.00 H new ATOM 807 N ALA A 58 10.640 -22.103 -3.097 1.00 0.00 N ATOM 808 CA ALA A 58 9.282 -21.747 -3.492 1.00 0.00 C ATOM 809 C ALA A 58 8.390 -22.982 -3.567 1.00 0.00 C ATOM 810 O ALA A 58 7.195 -22.915 -3.282 1.00 0.00 O ATOM 811 CB ALA A 58 9.295 -21.020 -4.829 1.00 0.00 C ATOM 0 H ALA A 58 11.365 -21.770 -3.732 1.00 0.00 H new ATOM 0 HA ALA A 58 8.872 -21.081 -2.733 1.00 0.00 H new ATOM 0 HB1 ALA A 58 8.275 -20.760 -5.112 1.00 0.00 H new ATOM 0 HB2 ALA A 58 9.890 -20.111 -4.743 1.00 0.00 H new ATOM 0 HB3 ALA A 58 9.729 -21.667 -5.591 1.00 0.00 H new ATOM 817 N LYS A 59 8.979 -24.108 -3.954 1.00 0.00 N ATOM 818 CA LYS A 59 8.239 -25.359 -4.066 1.00 0.00 C ATOM 819 C LYS A 59 7.984 -25.966 -2.691 1.00 0.00 C ATOM 820 O LYS A 59 6.842 -26.247 -2.328 1.00 0.00 O ATOM 821 CB LYS A 59 9.007 -26.354 -4.940 1.00 0.00 C ATOM 822 CG LYS A 59 8.819 -26.126 -6.430 1.00 0.00 C ATOM 823 CD LYS A 59 7.475 -26.649 -6.908 1.00 0.00 C ATOM 824 CE LYS A 59 7.072 -26.019 -8.233 1.00 0.00 C ATOM 825 NZ LYS A 59 6.896 -24.545 -8.116 1.00 0.00 N ATOM 0 H LYS A 59 9.967 -24.180 -4.196 1.00 0.00 H new ATOM 0 HA LYS A 59 7.278 -25.142 -4.532 1.00 0.00 H new ATOM 0 HB2 LYS A 59 10.069 -26.290 -4.702 1.00 0.00 H new ATOM 0 HB3 LYS A 59 8.686 -27.366 -4.692 1.00 0.00 H new ATOM 0 HG2 LYS A 59 8.895 -25.061 -6.649 1.00 0.00 H new ATOM 0 HG3 LYS A 59 9.620 -26.622 -6.979 1.00 0.00 H new ATOM 0 HD2 LYS A 59 7.523 -27.732 -7.019 1.00 0.00 H new ATOM 0 HD3 LYS A 59 6.713 -26.439 -6.157 1.00 0.00 H new ATOM 0 HE2 LYS A 59 7.832 -26.235 -8.984 1.00 0.00 H new ATOM 0 HE3 LYS A 59 6.142 -26.469 -8.581 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 6.231 -24.216 -8.845 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 6.520 -24.314 -7.174 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 7.814 -24.074 -8.247 1.00 0.00 H new ATOM 839 N ALA A 60 9.054 -26.165 -1.929 1.00 0.00 N ATOM 840 CA ALA A 60 8.946 -26.735 -0.592 1.00 0.00 C ATOM 841 C ALA A 60 7.907 -25.990 0.240 1.00 0.00 C ATOM 842 O ALA A 60 7.230 -26.582 1.081 1.00 0.00 O ATOM 843 CB ALA A 60 10.299 -26.710 0.104 1.00 0.00 C ATOM 0 H ALA A 60 10.007 -25.940 -2.215 1.00 0.00 H new ATOM 0 HA ALA A 60 8.620 -27.770 -0.691 1.00 0.00 H new ATOM 0 HB1 ALA A 60 10.203 -27.139 1.102 1.00 0.00 H new ATOM 0 HB2 ALA A 60 11.016 -27.293 -0.474 1.00 0.00 H new ATOM 0 HB3 ALA A 60 10.648 -25.681 0.184 1.00 0.00 H new ATOM 849 N ILE A 61 7.788 -24.688 0.001 1.00 0.00 N ATOM 850 CA ILE A 61 6.831 -23.863 0.728 1.00 0.00 C ATOM 851 C ILE A 61 5.398 -24.289 0.429 1.00 0.00 C ATOM 852 O ILE A 61 4.540 -24.275 1.310 1.00 0.00 O ATOM 853 CB ILE A 61 6.995 -22.372 0.380 1.00 0.00 C ATOM 854 CG1 ILE A 61 8.355 -21.860 0.860 1.00 0.00 C ATOM 855 CG2 ILE A 61 5.869 -21.557 0.998 1.00 0.00 C ATOM 856 CD1 ILE A 61 8.877 -20.688 0.058 1.00 0.00 C ATOM 0 H ILE A 61 8.342 -24.182 -0.690 1.00 0.00 H new ATOM 0 HA ILE A 61 7.035 -24.005 1.789 1.00 0.00 H new ATOM 0 HB ILE A 61 6.947 -22.260 -0.703 1.00 0.00 H new ATOM 0 HG12 ILE A 61 8.275 -21.567 1.907 1.00 0.00 H new ATOM 0 HG13 ILE A 61 9.078 -22.674 0.812 1.00 0.00 H new ATOM 0 HG21 ILE A 61 5.999 -20.505 0.743 1.00 0.00 H new ATOM 0 HG22 ILE A 61 4.912 -21.908 0.613 1.00 0.00 H new ATOM 0 HG23 ILE A 61 5.888 -21.673 2.082 1.00 0.00 H new ATOM 0 HD11 ILE A 61 9.844 -20.378 0.454 1.00 0.00 H new ATOM 0 HD12 ILE A 61 8.990 -20.982 -0.985 1.00 0.00 H new ATOM 0 HD13 ILE A 61 8.174 -19.858 0.127 1.00 0.00 H new ATOM 868 N GLU A 62 5.148 -24.668 -0.821 1.00 0.00 N ATOM 869 CA GLU A 62 3.819 -25.099 -1.236 1.00 0.00 C ATOM 870 C GLU A 62 3.673 -26.613 -1.109 1.00 0.00 C ATOM 871 O GLU A 62 2.574 -27.153 -1.226 1.00 0.00 O ATOM 872 CB GLU A 62 3.546 -24.669 -2.679 1.00 0.00 C ATOM 873 CG GLU A 62 3.239 -23.188 -2.824 1.00 0.00 C ATOM 874 CD GLU A 62 2.141 -22.724 -1.887 1.00 0.00 C ATOM 875 OE1 GLU A 62 1.080 -23.382 -1.847 1.00 0.00 O ATOM 876 OE2 GLU A 62 2.342 -21.705 -1.194 1.00 0.00 O ATOM 0 H GLU A 62 5.848 -24.685 -1.563 1.00 0.00 H new ATOM 0 HA GLU A 62 3.090 -24.625 -0.579 1.00 0.00 H new ATOM 0 HB2 GLU A 62 4.413 -24.914 -3.293 1.00 0.00 H new ATOM 0 HB3 GLU A 62 2.707 -25.245 -3.069 1.00 0.00 H new ATOM 0 HG2 GLU A 62 4.144 -22.613 -2.630 1.00 0.00 H new ATOM 0 HG3 GLU A 62 2.945 -22.981 -3.853 1.00 0.00 H new ATOM 883 N GLU A 63 4.792 -27.291 -0.870 1.00 0.00 N ATOM 884 CA GLU A 63 4.789 -28.742 -0.729 1.00 0.00 C ATOM 885 C GLU A 63 4.622 -29.147 0.733 1.00 0.00 C ATOM 886 O GLU A 63 3.672 -29.843 1.092 1.00 0.00 O ATOM 887 CB GLU A 63 6.084 -29.334 -1.289 1.00 0.00 C ATOM 888 CG GLU A 63 6.288 -29.060 -2.769 1.00 0.00 C ATOM 889 CD GLU A 63 5.863 -30.225 -3.642 1.00 0.00 C ATOM 890 OE1 GLU A 63 4.829 -30.853 -3.332 1.00 0.00 O ATOM 891 OE2 GLU A 63 6.565 -30.508 -4.636 1.00 0.00 O ATOM 0 H GLU A 63 5.711 -26.859 -0.770 1.00 0.00 H new ATOM 0 HA GLU A 63 3.944 -29.134 -1.295 1.00 0.00 H new ATOM 0 HB2 GLU A 63 6.929 -28.928 -0.733 1.00 0.00 H new ATOM 0 HB3 GLU A 63 6.082 -30.412 -1.124 1.00 0.00 H new ATOM 0 HG2 GLU A 63 5.721 -28.173 -3.052 1.00 0.00 H new ATOM 0 HG3 GLU A 63 7.339 -28.838 -2.952 1.00 0.00 H new ATOM 898 N VAL A 64 5.553 -28.705 1.573 1.00 0.00 N ATOM 899 CA VAL A 64 5.511 -29.020 2.996 1.00 0.00 C ATOM 900 C VAL A 64 4.263 -28.436 3.650 1.00 0.00 C ATOM 901 O VAL A 64 3.692 -29.032 4.564 1.00 0.00 O ATOM 902 CB VAL A 64 6.758 -28.487 3.726 1.00 0.00 C ATOM 903 CG1 VAL A 64 6.831 -29.049 5.137 1.00 0.00 C ATOM 904 CG2 VAL A 64 8.018 -28.824 2.943 1.00 0.00 C ATOM 0 H VAL A 64 6.346 -28.128 1.292 1.00 0.00 H new ATOM 0 HA VAL A 64 5.488 -30.106 3.080 1.00 0.00 H new ATOM 0 HB VAL A 64 6.681 -27.402 3.796 1.00 0.00 H new ATOM 0 HG11 VAL A 64 7.718 -28.662 5.638 1.00 0.00 H new ATOM 0 HG12 VAL A 64 5.942 -28.752 5.693 1.00 0.00 H new ATOM 0 HG13 VAL A 64 6.885 -30.137 5.093 1.00 0.00 H new ATOM 0 HG21 VAL A 64 8.889 -28.440 3.473 1.00 0.00 H new ATOM 0 HG22 VAL A 64 8.104 -29.906 2.840 1.00 0.00 H new ATOM 0 HG23 VAL A 64 7.965 -28.368 1.954 1.00 0.00 H new ATOM 914 N HIS A 65 3.846 -27.267 3.177 1.00 0.00 N ATOM 915 CA HIS A 65 2.664 -26.602 3.716 1.00 0.00 C ATOM 916 C HIS A 65 1.426 -27.478 3.553 1.00 0.00 C ATOM 917 O HIS A 65 1.044 -27.830 2.438 1.00 0.00 O ATOM 918 CB HIS A 65 2.447 -25.258 3.019 1.00 0.00 C ATOM 919 CG HIS A 65 1.157 -24.593 3.389 1.00 0.00 C ATOM 920 ND1 HIS A 65 0.690 -24.527 4.685 1.00 0.00 N ATOM 921 CD2 HIS A 65 0.236 -23.961 2.626 1.00 0.00 C ATOM 922 CE1 HIS A 65 -0.464 -23.884 4.702 1.00 0.00 C ATOM 923 NE2 HIS A 65 -0.762 -23.530 3.465 1.00 0.00 N ATOM 0 H HIS A 65 4.308 -26.760 2.422 1.00 0.00 H new ATOM 0 HA HIS A 65 2.828 -26.429 4.780 1.00 0.00 H new ATOM 0 HB2 HIS A 65 3.274 -24.592 3.266 1.00 0.00 H new ATOM 0 HB3 HIS A 65 2.472 -25.409 1.940 1.00 0.00 H new ATOM 0 HD2 HIS A 65 0.278 -23.821 1.556 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -1.062 -23.682 5.578 1.00 0.00 H new ATOM 0 HE2 HIS A 65 -1.598 -23.019 3.179 1.00 0.00 H new ATOM 931 N GLY A 66 0.804 -27.829 4.675 1.00 0.00 N ATOM 932 CA GLY A 66 -0.384 -28.662 4.635 1.00 0.00 C ATOM 933 C GLY A 66 -0.070 -30.129 4.855 1.00 0.00 C ATOM 934 O GLY A 66 -0.944 -30.985 4.719 1.00 0.00 O ATOM 0 H GLY A 66 1.102 -27.551 5.610 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -1.086 -28.325 5.398 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -0.878 -28.540 3.671 1.00 0.00 H new ATOM 938 N LYS A 67 1.180 -30.420 5.196 1.00 0.00 N ATOM 939 CA LYS A 67 1.609 -31.793 5.435 1.00 0.00 C ATOM 940 C LYS A 67 1.236 -32.241 6.844 1.00 0.00 C ATOM 941 O LYS A 67 0.588 -31.506 7.589 1.00 0.00 O ATOM 942 CB LYS A 67 3.120 -31.921 5.231 1.00 0.00 C ATOM 943 CG LYS A 67 3.549 -31.810 3.778 1.00 0.00 C ATOM 944 CD LYS A 67 3.059 -32.994 2.960 1.00 0.00 C ATOM 945 CE LYS A 67 1.783 -32.659 2.205 1.00 0.00 C ATOM 946 NZ LYS A 67 0.909 -33.853 2.036 1.00 0.00 N ATOM 0 H LYS A 67 1.915 -29.723 5.313 1.00 0.00 H new ATOM 0 HA LYS A 67 1.097 -32.437 4.720 1.00 0.00 H new ATOM 0 HB2 LYS A 67 3.623 -31.147 5.810 1.00 0.00 H new ATOM 0 HB3 LYS A 67 3.452 -32.881 5.627 1.00 0.00 H new ATOM 0 HG2 LYS A 67 3.159 -30.886 3.352 1.00 0.00 H new ATOM 0 HG3 LYS A 67 4.636 -31.753 3.722 1.00 0.00 H new ATOM 0 HD2 LYS A 67 3.833 -33.295 2.254 1.00 0.00 H new ATOM 0 HD3 LYS A 67 2.881 -33.844 3.619 1.00 0.00 H new ATOM 0 HE2 LYS A 67 1.237 -31.882 2.741 1.00 0.00 H new ATOM 0 HE3 LYS A 67 2.036 -32.253 1.226 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 0.049 -33.583 1.517 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 1.420 -34.585 1.503 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 0.646 -34.226 2.971 1.00 0.00 H new ATOM 960 N SER A 68 1.650 -33.452 7.205 1.00 0.00 N ATOM 961 CA SER A 68 1.357 -33.999 8.524 1.00 0.00 C ATOM 962 C SER A 68 2.641 -34.399 9.244 1.00 0.00 C ATOM 963 O SER A 68 3.593 -34.873 8.623 1.00 0.00 O ATOM 964 CB SER A 68 0.429 -35.209 8.404 1.00 0.00 C ATOM 965 OG SER A 68 1.074 -36.283 7.741 1.00 0.00 O ATOM 0 H SER A 68 2.190 -34.073 6.602 1.00 0.00 H new ATOM 0 HA SER A 68 0.859 -33.225 9.108 1.00 0.00 H new ATOM 0 HB2 SER A 68 0.112 -35.528 9.397 1.00 0.00 H new ATOM 0 HB3 SER A 68 -0.471 -34.928 7.857 1.00 0.00 H new ATOM 0 HG SER A 68 0.460 -37.045 7.679 1.00 0.00 H new ATOM 971 N PHE A 69 2.661 -34.205 10.558 1.00 0.00 N ATOM 972 CA PHE A 69 3.828 -34.544 11.364 1.00 0.00 C ATOM 973 C PHE A 69 3.521 -34.403 12.852 1.00 0.00 C ATOM 974 O PHE A 69 2.947 -33.405 13.287 1.00 0.00 O ATOM 975 CB PHE A 69 5.011 -33.648 10.989 1.00 0.00 C ATOM 976 CG PHE A 69 6.337 -34.181 11.452 1.00 0.00 C ATOM 977 CD1 PHE A 69 6.800 -33.909 12.729 1.00 0.00 C ATOM 978 CD2 PHE A 69 7.120 -34.954 10.610 1.00 0.00 C ATOM 979 CE1 PHE A 69 8.019 -34.398 13.158 1.00 0.00 C ATOM 980 CE2 PHE A 69 8.340 -35.445 11.034 1.00 0.00 C ATOM 981 CZ PHE A 69 8.791 -35.166 12.309 1.00 0.00 C ATOM 0 H PHE A 69 1.882 -33.815 11.088 1.00 0.00 H new ATOM 0 HA PHE A 69 4.089 -35.583 11.161 1.00 0.00 H new ATOM 0 HB2 PHE A 69 5.035 -33.526 9.906 1.00 0.00 H new ATOM 0 HB3 PHE A 69 4.857 -32.658 11.418 1.00 0.00 H new ATOM 0 HD1 PHE A 69 6.201 -33.308 13.397 1.00 0.00 H new ATOM 0 HD2 PHE A 69 6.773 -35.175 9.611 1.00 0.00 H new ATOM 0 HE1 PHE A 69 8.368 -34.180 14.157 1.00 0.00 H new ATOM 0 HE2 PHE A 69 8.941 -36.047 10.368 1.00 0.00 H new ATOM 0 HZ PHE A 69 9.745 -35.548 12.641 1.00 0.00 H new ATOM 991 N ALA A 70 3.908 -35.410 13.628 1.00 0.00 N ATOM 992 CA ALA A 70 3.676 -35.399 15.067 1.00 0.00 C ATOM 993 C ALA A 70 2.186 -35.341 15.382 1.00 0.00 C ATOM 994 O ALA A 70 1.770 -34.700 16.347 1.00 0.00 O ATOM 995 CB ALA A 70 4.400 -34.225 15.709 1.00 0.00 C ATOM 0 H ALA A 70 4.384 -36.244 13.284 1.00 0.00 H new ATOM 0 HA ALA A 70 4.072 -36.326 15.481 1.00 0.00 H new ATOM 0 HB1 ALA A 70 4.218 -34.229 16.784 1.00 0.00 H new ATOM 0 HB2 ALA A 70 5.470 -34.311 15.522 1.00 0.00 H new ATOM 0 HB3 ALA A 70 4.031 -33.292 15.282 1.00 0.00 H new ATOM 1001 N ASN A 71 1.385 -36.013 14.562 1.00 0.00 N ATOM 1002 CA ASN A 71 -0.061 -36.037 14.753 1.00 0.00 C ATOM 1003 C ASN A 71 -0.639 -34.626 14.697 1.00 0.00 C ATOM 1004 O ASN A 71 -1.619 -34.320 15.376 1.00 0.00 O ATOM 1005 CB ASN A 71 -0.408 -36.689 16.093 1.00 0.00 C ATOM 1006 CG ASN A 71 -0.428 -38.203 16.010 1.00 0.00 C ATOM 1007 OD1 ASN A 71 -1.147 -38.782 15.195 1.00 0.00 O ATOM 1008 ND2 ASN A 71 0.363 -38.852 16.856 1.00 0.00 N ATOM 0 H ASN A 71 1.713 -36.549 13.758 1.00 0.00 H new ATOM 0 HA ASN A 71 -0.500 -36.624 13.946 1.00 0.00 H new ATOM 0 HB2 ASN A 71 0.318 -36.378 16.844 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -1.383 -36.333 16.426 1.00 0.00 H new ATOM 0 HD21 ASN A 71 0.392 -39.872 16.847 1.00 0.00 H new ATOM 0 HD22 ASN A 71 0.942 -38.331 17.515 1.00 0.00 H new ATOM 1015 N GLN A 72 -0.027 -33.773 13.882 1.00 0.00 N ATOM 1016 CA GLN A 72 -0.481 -32.395 13.737 1.00 0.00 C ATOM 1017 C GLN A 72 -0.134 -31.850 12.356 1.00 0.00 C ATOM 1018 O GLN A 72 0.852 -32.246 11.735 1.00 0.00 O ATOM 1019 CB GLN A 72 0.144 -31.513 14.819 1.00 0.00 C ATOM 1020 CG GLN A 72 -0.184 -31.961 16.234 1.00 0.00 C ATOM 1021 CD GLN A 72 0.373 -31.023 17.287 1.00 0.00 C ATOM 1022 OE1 GLN A 72 1.376 -30.345 17.063 1.00 0.00 O ATOM 1023 NE2 GLN A 72 -0.276 -30.979 18.445 1.00 0.00 N ATOM 0 H GLN A 72 0.784 -34.012 13.312 1.00 0.00 H new ATOM 0 HA GLN A 72 -1.565 -32.382 13.850 1.00 0.00 H new ATOM 0 HB2 GLN A 72 1.226 -31.507 14.691 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -0.199 -30.487 14.683 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -1.266 -32.028 16.348 1.00 0.00 H new ATOM 0 HG3 GLN A 72 0.216 -32.962 16.396 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -1.103 -31.558 18.588 1.00 0.00 H new ATOM 0 HE22 GLN A 72 0.053 -30.366 19.191 1.00 0.00 H new ATOM 1032 N PRO A 73 -0.963 -30.918 11.862 1.00 0.00 N ATOM 1033 CA PRO A 73 -0.764 -30.298 10.549 1.00 0.00 C ATOM 1034 C PRO A 73 0.449 -29.374 10.522 1.00 0.00 C ATOM 1035 O PRO A 73 0.559 -28.453 11.332 1.00 0.00 O ATOM 1036 CB PRO A 73 -2.051 -29.497 10.335 1.00 0.00 C ATOM 1037 CG PRO A 73 -2.552 -29.213 11.709 1.00 0.00 C ATOM 1038 CD PRO A 73 -2.158 -30.398 12.547 1.00 0.00 C ATOM 0 HA PRO A 73 -0.574 -31.040 9.773 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -1.857 -28.576 9.786 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -2.780 -30.065 9.757 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -2.115 -28.295 12.102 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -3.633 -29.077 11.710 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -1.938 -30.108 13.574 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -2.953 -31.143 12.589 1.00 0.00 H new ATOM 1046 N LEU A 74 1.357 -29.625 9.586 1.00 0.00 N ATOM 1047 CA LEU A 74 2.563 -28.814 9.453 1.00 0.00 C ATOM 1048 C LEU A 74 2.261 -27.501 8.738 1.00 0.00 C ATOM 1049 O LEU A 74 1.247 -27.377 8.052 1.00 0.00 O ATOM 1050 CB LEU A 74 3.639 -29.588 8.689 1.00 0.00 C ATOM 1051 CG LEU A 74 4.426 -30.620 9.498 1.00 0.00 C ATOM 1052 CD1 LEU A 74 5.481 -31.288 8.630 1.00 0.00 C ATOM 1053 CD2 LEU A 74 5.069 -29.967 10.713 1.00 0.00 C ATOM 0 H LEU A 74 1.282 -30.383 8.908 1.00 0.00 H new ATOM 0 HA LEU A 74 2.929 -28.585 10.454 1.00 0.00 H new ATOM 0 HB2 LEU A 74 3.165 -30.098 7.851 1.00 0.00 H new ATOM 0 HB3 LEU A 74 4.344 -28.871 8.268 1.00 0.00 H new ATOM 0 HG LEU A 74 3.733 -31.386 9.845 1.00 0.00 H new ATOM 0 HD11 LEU A 74 6.031 -32.019 9.223 1.00 0.00 H new ATOM 0 HD12 LEU A 74 4.998 -31.790 7.792 1.00 0.00 H new ATOM 0 HD13 LEU A 74 6.172 -30.534 8.252 1.00 0.00 H new ATOM 0 HD21 LEU A 74 5.625 -30.716 11.277 1.00 0.00 H new ATOM 0 HD22 LEU A 74 5.749 -29.180 10.386 1.00 0.00 H new ATOM 0 HD23 LEU A 74 4.294 -29.536 11.347 1.00 0.00 H new ATOM 1065 N GLU A 75 3.148 -26.526 8.902 1.00 0.00 N ATOM 1066 CA GLU A 75 2.976 -25.222 8.271 1.00 0.00 C ATOM 1067 C GLU A 75 4.322 -24.637 7.856 1.00 0.00 C ATOM 1068 O GLU A 75 5.252 -24.556 8.660 1.00 0.00 O ATOM 1069 CB GLU A 75 2.260 -24.261 9.223 1.00 0.00 C ATOM 1070 CG GLU A 75 1.164 -24.920 10.043 1.00 0.00 C ATOM 1071 CD GLU A 75 0.156 -23.921 10.577 1.00 0.00 C ATOM 1072 OE1 GLU A 75 0.509 -23.160 11.502 1.00 0.00 O ATOM 1073 OE2 GLU A 75 -0.986 -23.901 10.071 1.00 0.00 O ATOM 0 H GLU A 75 3.993 -26.613 9.466 1.00 0.00 H new ATOM 0 HA GLU A 75 2.367 -25.356 7.377 1.00 0.00 H new ATOM 0 HB2 GLU A 75 2.992 -23.820 9.899 1.00 0.00 H new ATOM 0 HB3 GLU A 75 1.828 -23.444 8.644 1.00 0.00 H new ATOM 0 HG2 GLU A 75 0.648 -25.658 9.428 1.00 0.00 H new ATOM 0 HG3 GLU A 75 1.613 -25.459 10.877 1.00 0.00 H new ATOM 1080 N VAL A 76 4.420 -24.229 6.595 1.00 0.00 N ATOM 1081 CA VAL A 76 5.652 -23.650 6.072 1.00 0.00 C ATOM 1082 C VAL A 76 5.358 -22.461 5.164 1.00 0.00 C ATOM 1083 O VAL A 76 4.469 -22.519 4.314 1.00 0.00 O ATOM 1084 CB VAL A 76 6.472 -24.691 5.287 1.00 0.00 C ATOM 1085 CG1 VAL A 76 7.892 -24.193 5.063 1.00 0.00 C ATOM 1086 CG2 VAL A 76 6.475 -26.026 6.016 1.00 0.00 C ATOM 0 H VAL A 76 3.661 -24.289 5.916 1.00 0.00 H new ATOM 0 HA VAL A 76 6.233 -23.313 6.930 1.00 0.00 H new ATOM 0 HB VAL A 76 6.006 -24.836 4.313 1.00 0.00 H new ATOM 0 HG11 VAL A 76 8.457 -24.941 4.507 1.00 0.00 H new ATOM 0 HG12 VAL A 76 7.866 -23.263 4.496 1.00 0.00 H new ATOM 0 HG13 VAL A 76 8.372 -24.018 6.026 1.00 0.00 H new ATOM 0 HG21 VAL A 76 7.059 -26.750 5.447 1.00 0.00 H new ATOM 0 HG22 VAL A 76 6.917 -25.900 7.004 1.00 0.00 H new ATOM 0 HG23 VAL A 76 5.452 -26.386 6.119 1.00 0.00 H new ATOM 1096 N VAL A 77 6.111 -21.381 5.349 1.00 0.00 N ATOM 1097 CA VAL A 77 5.933 -20.178 4.546 1.00 0.00 C ATOM 1098 C VAL A 77 7.276 -19.542 4.203 1.00 0.00 C ATOM 1099 O VAL A 77 8.317 -19.950 4.719 1.00 0.00 O ATOM 1100 CB VAL A 77 5.058 -19.141 5.275 1.00 0.00 C ATOM 1101 CG1 VAL A 77 3.731 -19.758 5.688 1.00 0.00 C ATOM 1102 CG2 VAL A 77 5.793 -18.579 6.483 1.00 0.00 C ATOM 0 H VAL A 77 6.850 -21.315 6.049 1.00 0.00 H new ATOM 0 HA VAL A 77 5.433 -20.483 3.627 1.00 0.00 H new ATOM 0 HB VAL A 77 4.851 -18.319 4.589 1.00 0.00 H new ATOM 0 HG11 VAL A 77 3.126 -19.010 6.202 1.00 0.00 H new ATOM 0 HG12 VAL A 77 3.201 -20.107 4.802 1.00 0.00 H new ATOM 0 HG13 VAL A 77 3.913 -20.599 6.357 1.00 0.00 H new ATOM 0 HG21 VAL A 77 5.160 -17.848 6.986 1.00 0.00 H new ATOM 0 HG22 VAL A 77 6.031 -19.389 7.173 1.00 0.00 H new ATOM 0 HG23 VAL A 77 6.715 -18.097 6.156 1.00 0.00 H new ATOM 1112 N TYR A 78 7.245 -18.541 3.330 1.00 0.00 N ATOM 1113 CA TYR A 78 8.460 -17.850 2.916 1.00 0.00 C ATOM 1114 C TYR A 78 9.041 -17.034 4.067 1.00 0.00 C ATOM 1115 O TYR A 78 8.579 -15.930 4.356 1.00 0.00 O ATOM 1116 CB TYR A 78 8.171 -16.937 1.724 1.00 0.00 C ATOM 1117 CG TYR A 78 8.815 -17.400 0.437 1.00 0.00 C ATOM 1118 CD1 TYR A 78 10.192 -17.557 0.344 1.00 0.00 C ATOM 1119 CD2 TYR A 78 8.047 -17.680 -0.687 1.00 0.00 C ATOM 1120 CE1 TYR A 78 10.786 -17.980 -0.830 1.00 0.00 C ATOM 1121 CE2 TYR A 78 8.631 -18.104 -1.864 1.00 0.00 C ATOM 1122 CZ TYR A 78 10.001 -18.252 -1.931 1.00 0.00 C ATOM 1123 OH TYR A 78 10.587 -18.673 -3.103 1.00 0.00 O ATOM 0 H TYR A 78 6.391 -18.190 2.895 1.00 0.00 H new ATOM 0 HA TYR A 78 9.193 -18.601 2.621 1.00 0.00 H new ATOM 0 HB2 TYR A 78 7.093 -16.874 1.579 1.00 0.00 H new ATOM 0 HB3 TYR A 78 8.521 -15.931 1.954 1.00 0.00 H new ATOM 0 HD1 TYR A 78 10.809 -17.345 1.204 1.00 0.00 H new ATOM 0 HD2 TYR A 78 6.974 -17.564 -0.639 1.00 0.00 H new ATOM 0 HE1 TYR A 78 11.858 -18.097 -0.885 1.00 0.00 H new ATOM 0 HE2 TYR A 78 8.019 -18.319 -2.727 1.00 0.00 H new ATOM 0 HH TYR A 78 11.407 -19.170 -2.899 1.00 0.00 H new ATOM 1133 N SER A 79 10.058 -17.585 4.720 1.00 0.00 N ATOM 1134 CA SER A 79 10.702 -16.912 5.842 1.00 0.00 C ATOM 1135 C SER A 79 11.241 -15.548 5.420 1.00 0.00 C ATOM 1136 O SER A 79 12.001 -15.438 4.458 1.00 0.00 O ATOM 1137 CB SER A 79 11.839 -17.772 6.397 1.00 0.00 C ATOM 1138 OG SER A 79 12.683 -17.015 7.247 1.00 0.00 O ATOM 0 H SER A 79 10.455 -18.497 4.492 1.00 0.00 H new ATOM 0 HA SER A 79 9.955 -16.764 6.622 1.00 0.00 H new ATOM 0 HB2 SER A 79 11.425 -18.616 6.949 1.00 0.00 H new ATOM 0 HB3 SER A 79 12.422 -18.185 5.574 1.00 0.00 H new ATOM 0 HG SER A 79 13.301 -17.616 7.713 1.00 0.00 H new ATOM 1144 N LYS A 80 10.840 -14.510 6.146 1.00 0.00 N ATOM 1145 CA LYS A 80 11.281 -13.152 5.850 1.00 0.00 C ATOM 1146 C LYS A 80 12.781 -13.005 6.083 1.00 0.00 C ATOM 1147 O LYS A 80 13.402 -12.052 5.611 1.00 0.00 O ATOM 1148 CB LYS A 80 10.519 -12.146 6.715 1.00 0.00 C ATOM 1149 CG LYS A 80 10.531 -12.485 8.196 1.00 0.00 C ATOM 1150 CD LYS A 80 9.920 -11.369 9.028 1.00 0.00 C ATOM 1151 CE LYS A 80 10.967 -10.347 9.444 1.00 0.00 C ATOM 1152 NZ LYS A 80 11.120 -9.266 8.432 1.00 0.00 N ATOM 0 H LYS A 80 10.210 -14.583 6.945 1.00 0.00 H new ATOM 0 HA LYS A 80 11.072 -12.950 4.799 1.00 0.00 H new ATOM 0 HB2 LYS A 80 10.953 -11.156 6.574 1.00 0.00 H new ATOM 0 HB3 LYS A 80 9.486 -12.093 6.371 1.00 0.00 H new ATOM 0 HG2 LYS A 80 9.978 -13.409 8.363 1.00 0.00 H new ATOM 0 HG3 LYS A 80 11.556 -12.663 8.521 1.00 0.00 H new ATOM 0 HD2 LYS A 80 9.135 -10.875 8.456 1.00 0.00 H new ATOM 0 HD3 LYS A 80 9.449 -11.791 9.916 1.00 0.00 H new ATOM 0 HE2 LYS A 80 10.687 -9.910 10.403 1.00 0.00 H new ATOM 0 HE3 LYS A 80 11.925 -10.847 9.589 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 11.421 -8.389 8.903 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 11.836 -9.545 7.731 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 10.210 -9.107 7.953 1.00 0.00 H new TER 1166 LYS A 80