USER MOD reduce.3.24.130724 H: found=0, std=0, add=641, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 639 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 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 79 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 12:sc= 0.0865! USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 10 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=-0.1) USER MOD Single : A 30 THR OG1 : rot 130:sc= 0 USER MOD Single : A 31 ASN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 34 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 ASN : amide:sc= -3.35! C(o=-3.3!,f=-9.5!) USER MOD Single : A 44 TYR OH : rot 180:sc=0.000641 USER MOD Single : A 45 CYS SG : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 53 HIS : no HD1:sc= -0.17 X(o=-0.17,f=-0.086) USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 HIS : no HD1:sc= -2.51 K(o=-2.5,f=-1.1) USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc=-0.00985 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 78 ASN : amide:sc= -0.76 K(o=-0.76,f=-1.3!) USER MOD Single : A 82 THR OG1 : rot 180:sc=-0.000433 USER MOD Single : A 83 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -17.624 -37.436 -7.716 1.00 0.00 N ATOM 2 CA GLY A 1 -17.709 -37.261 -9.154 1.00 0.00 C ATOM 3 C GLY A 1 -18.814 -38.092 -9.775 1.00 0.00 C ATOM 4 O GLY A 1 -18.564 -38.905 -10.665 1.00 0.00 O ATOM 0 H1 GLY A 1 -16.854 -36.847 -7.340 1.00 0.00 H new ATOM 0 H2 GLY A 1 -18.523 -37.151 -7.278 1.00 0.00 H new ATOM 0 H3 GLY A 1 -17.434 -38.435 -7.499 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -17.880 -36.208 -9.379 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -16.756 -37.533 -9.607 1.00 0.00 H new ATOM 8 N SER A 2 -20.041 -37.889 -9.304 1.00 0.00 N ATOM 9 CA SER A 2 -21.188 -38.629 -9.815 1.00 0.00 C ATOM 10 C SER A 2 -21.995 -37.776 -10.790 1.00 0.00 C ATOM 11 O SER A 2 -22.205 -36.585 -10.562 1.00 0.00 O ATOM 12 CB SER A 2 -22.081 -39.088 -8.661 1.00 0.00 C ATOM 13 OG SER A 2 -23.297 -39.633 -9.143 1.00 0.00 O ATOM 0 H SER A 2 -20.265 -37.218 -8.569 1.00 0.00 H new ATOM 0 HA SER A 2 -20.816 -39.504 -10.347 1.00 0.00 H new ATOM 0 HB2 SER A 2 -21.555 -39.834 -8.065 1.00 0.00 H new ATOM 0 HB3 SER A 2 -22.292 -38.245 -8.003 1.00 0.00 H new ATOM 0 HG SER A 2 -23.849 -39.920 -8.386 1.00 0.00 H new ATOM 19 N SER A 3 -22.444 -38.396 -11.876 1.00 0.00 N ATOM 20 CA SER A 3 -23.225 -37.694 -12.888 1.00 0.00 C ATOM 21 C SER A 3 -24.297 -36.823 -12.240 1.00 0.00 C ATOM 22 O SER A 3 -25.047 -37.280 -11.378 1.00 0.00 O ATOM 23 CB SER A 3 -23.875 -38.694 -13.846 1.00 0.00 C ATOM 24 OG SER A 3 -24.966 -39.356 -13.229 1.00 0.00 O ATOM 0 H SER A 3 -22.281 -39.382 -12.078 1.00 0.00 H new ATOM 0 HA SER A 3 -22.549 -37.050 -13.450 1.00 0.00 H new ATOM 0 HB2 SER A 3 -24.219 -38.175 -14.740 1.00 0.00 H new ATOM 0 HB3 SER A 3 -23.136 -39.427 -14.168 1.00 0.00 H new ATOM 0 HG SER A 3 -25.187 -38.907 -12.387 1.00 0.00 H new ATOM 30 N GLY A 4 -24.363 -35.564 -12.662 1.00 0.00 N ATOM 31 CA GLY A 4 -25.345 -34.648 -12.113 1.00 0.00 C ATOM 32 C GLY A 4 -24.945 -33.196 -12.286 1.00 0.00 C ATOM 33 O GLY A 4 -24.638 -32.758 -13.395 1.00 0.00 O ATOM 0 H GLY A 4 -23.754 -35.162 -13.374 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -26.306 -34.817 -12.599 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -25.482 -34.860 -11.053 1.00 0.00 H new ATOM 37 N SER A 5 -24.949 -32.447 -11.188 1.00 0.00 N ATOM 38 CA SER A 5 -24.589 -31.035 -11.224 1.00 0.00 C ATOM 39 C SER A 5 -23.390 -30.803 -12.139 1.00 0.00 C ATOM 40 O SER A 5 -22.490 -31.638 -12.224 1.00 0.00 O ATOM 41 CB SER A 5 -24.274 -30.530 -9.815 1.00 0.00 C ATOM 42 OG SER A 5 -25.463 -30.289 -9.082 1.00 0.00 O ATOM 0 H SER A 5 -25.198 -32.795 -10.262 1.00 0.00 H new ATOM 0 HA SER A 5 -25.439 -30.479 -11.619 1.00 0.00 H new ATOM 0 HB2 SER A 5 -23.662 -31.264 -9.291 1.00 0.00 H new ATOM 0 HB3 SER A 5 -23.689 -29.613 -9.876 1.00 0.00 H new ATOM 0 HG SER A 5 -25.235 -29.969 -8.184 1.00 0.00 H new ATOM 48 N SER A 6 -23.387 -29.663 -12.822 1.00 0.00 N ATOM 49 CA SER A 6 -22.301 -29.322 -13.734 1.00 0.00 C ATOM 50 C SER A 6 -21.618 -28.027 -13.305 1.00 0.00 C ATOM 51 O SER A 6 -22.178 -26.941 -13.443 1.00 0.00 O ATOM 52 CB SER A 6 -22.832 -29.182 -15.163 1.00 0.00 C ATOM 53 OG SER A 6 -22.903 -30.443 -15.805 1.00 0.00 O ATOM 0 H SER A 6 -24.124 -28.960 -12.761 1.00 0.00 H new ATOM 0 HA SER A 6 -21.567 -30.127 -13.703 1.00 0.00 H new ATOM 0 HB2 SER A 6 -23.821 -28.724 -15.144 1.00 0.00 H new ATOM 0 HB3 SER A 6 -22.183 -28.516 -15.732 1.00 0.00 H new ATOM 0 HG SER A 6 -23.247 -30.328 -16.716 1.00 0.00 H new ATOM 59 N GLY A 7 -20.401 -28.152 -12.783 1.00 0.00 N ATOM 60 CA GLY A 7 -19.660 -26.986 -12.341 1.00 0.00 C ATOM 61 C GLY A 7 -19.265 -27.069 -10.880 1.00 0.00 C ATOM 62 O GLY A 7 -19.742 -26.289 -10.056 1.00 0.00 O ATOM 0 H GLY A 7 -19.916 -29.040 -12.659 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -18.763 -26.877 -12.951 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -20.265 -26.093 -12.500 1.00 0.00 H new ATOM 66 N GLU A 8 -18.392 -28.019 -10.558 1.00 0.00 N ATOM 67 CA GLU A 8 -17.936 -28.203 -9.185 1.00 0.00 C ATOM 68 C GLU A 8 -16.418 -28.076 -9.095 1.00 0.00 C ATOM 69 O GLU A 8 -15.701 -29.077 -9.081 1.00 0.00 O ATOM 70 CB GLU A 8 -18.378 -29.569 -8.655 1.00 0.00 C ATOM 71 CG GLU A 8 -19.878 -29.683 -8.443 1.00 0.00 C ATOM 72 CD GLU A 8 -20.623 -30.028 -9.718 1.00 0.00 C ATOM 73 OE1 GLU A 8 -20.322 -31.083 -10.315 1.00 0.00 O ATOM 74 OE2 GLU A 8 -21.507 -29.242 -10.119 1.00 0.00 O ATOM 0 H GLU A 8 -17.987 -28.672 -11.229 1.00 0.00 H new ATOM 0 HA GLU A 8 -18.386 -27.422 -8.572 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -18.059 -30.341 -9.355 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -17.870 -29.765 -7.711 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -20.078 -30.447 -7.692 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -20.258 -28.741 -8.048 1.00 0.00 H new ATOM 81 N ASP A 9 -15.936 -26.840 -9.034 1.00 0.00 N ATOM 82 CA ASP A 9 -14.503 -26.582 -8.944 1.00 0.00 C ATOM 83 C ASP A 9 -14.237 -25.162 -8.453 1.00 0.00 C ATOM 84 O ASP A 9 -15.086 -24.281 -8.581 1.00 0.00 O ATOM 85 CB ASP A 9 -13.839 -26.797 -10.305 1.00 0.00 C ATOM 86 CG ASP A 9 -14.375 -28.020 -11.024 1.00 0.00 C ATOM 87 OD1 ASP A 9 -13.928 -29.140 -10.701 1.00 0.00 O ATOM 88 OD2 ASP A 9 -15.240 -27.856 -11.910 1.00 0.00 O ATOM 0 H ASP A 9 -16.516 -26.001 -9.045 1.00 0.00 H new ATOM 0 HA ASP A 9 -14.076 -27.282 -8.225 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -13.997 -25.916 -10.926 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -12.763 -26.902 -10.168 1.00 0.00 H new ATOM 93 N ASN A 10 -13.052 -24.949 -7.890 1.00 0.00 N ATOM 94 CA ASN A 10 -12.674 -23.636 -7.378 1.00 0.00 C ATOM 95 C ASN A 10 -11.502 -23.062 -8.167 1.00 0.00 C ATOM 96 O ASN A 10 -10.910 -23.744 -9.004 1.00 0.00 O ATOM 97 CB ASN A 10 -12.309 -23.730 -5.895 1.00 0.00 C ATOM 98 CG ASN A 10 -13.531 -23.720 -4.997 1.00 0.00 C ATOM 99 OD1 ASN A 10 -14.017 -24.771 -4.579 1.00 0.00 O ATOM 100 ND2 ASN A 10 -14.033 -22.528 -4.696 1.00 0.00 N ATOM 0 H ASN A 10 -12.337 -25.668 -7.777 1.00 0.00 H new ATOM 0 HA ASN A 10 -13.528 -22.968 -7.493 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -11.741 -24.644 -5.721 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -11.660 -22.896 -5.630 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -14.854 -22.457 -4.095 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -13.597 -21.683 -5.065 1.00 0.00 H new ATOM 107 N ARG A 11 -11.172 -21.804 -7.894 1.00 0.00 N ATOM 108 CA ARG A 11 -10.070 -21.137 -8.578 1.00 0.00 C ATOM 109 C ARG A 11 -8.990 -20.715 -7.586 1.00 0.00 C ATOM 110 O ARG A 11 -9.284 -20.369 -6.442 1.00 0.00 O ATOM 111 CB ARG A 11 -10.582 -19.914 -9.341 1.00 0.00 C ATOM 112 CG ARG A 11 -10.989 -20.217 -10.774 1.00 0.00 C ATOM 113 CD ARG A 11 -12.227 -21.098 -10.827 1.00 0.00 C ATOM 114 NE ARG A 11 -13.457 -20.312 -10.872 1.00 0.00 N ATOM 115 CZ ARG A 11 -14.112 -19.911 -9.789 1.00 0.00 C ATOM 116 NH1 ARG A 11 -13.657 -20.220 -8.582 1.00 0.00 N ATOM 117 NH2 ARG A 11 -15.225 -19.199 -9.911 1.00 0.00 N ATOM 0 H ARG A 11 -11.652 -21.226 -7.204 1.00 0.00 H new ATOM 0 HA ARG A 11 -9.634 -21.842 -9.285 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -11.437 -19.497 -8.810 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -9.806 -19.149 -9.347 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -11.182 -19.284 -11.304 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -10.166 -20.712 -11.290 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -12.176 -21.742 -11.705 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -12.245 -21.750 -9.954 1.00 0.00 H new ATOM 0 HE ARG A 11 -13.833 -20.057 -11.785 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -12.802 -20.767 -8.484 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -14.162 -19.910 -7.752 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -15.578 -18.959 -10.837 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -15.727 -18.891 -9.078 1.00 0.00 H new ATOM 131 N ARG A 12 -7.739 -20.748 -8.033 1.00 0.00 N ATOM 132 CA ARG A 12 -6.614 -20.371 -7.185 1.00 0.00 C ATOM 133 C ARG A 12 -6.509 -18.853 -7.064 1.00 0.00 C ATOM 134 O ARG A 12 -6.774 -18.111 -8.010 1.00 0.00 O ATOM 135 CB ARG A 12 -5.311 -20.940 -7.747 1.00 0.00 C ATOM 136 CG ARG A 12 -4.997 -22.344 -7.256 1.00 0.00 C ATOM 137 CD ARG A 12 -4.179 -23.121 -8.275 1.00 0.00 C ATOM 138 NE ARG A 12 -4.139 -24.549 -7.970 1.00 0.00 N ATOM 139 CZ ARG A 12 -3.486 -25.061 -6.933 1.00 0.00 C ATOM 140 NH1 ARG A 12 -2.822 -24.266 -6.106 1.00 0.00 N ATOM 141 NH2 ARG A 12 -3.497 -26.371 -6.722 1.00 0.00 N ATOM 0 H ARG A 12 -7.479 -21.032 -8.977 1.00 0.00 H new ATOM 0 HA ARG A 12 -6.785 -20.786 -6.192 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -5.368 -20.949 -8.835 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -4.489 -20.277 -7.477 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -4.449 -22.288 -6.315 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -5.926 -22.876 -7.052 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -4.603 -22.974 -9.268 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -3.163 -22.727 -8.301 1.00 0.00 H new ATOM 0 HE ARG A 12 -4.640 -25.188 -8.587 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -2.812 -23.259 -6.265 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -2.321 -24.662 -5.310 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -4.007 -26.985 -7.356 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -2.995 -26.763 -5.925 1.00 0.00 H new ATOM 155 N PRO A 13 -6.114 -18.380 -5.873 1.00 0.00 N ATOM 156 CA PRO A 13 -5.965 -16.948 -5.600 1.00 0.00 C ATOM 157 C PRO A 13 -4.783 -16.336 -6.345 1.00 0.00 C ATOM 158 O PRO A 13 -3.766 -16.995 -6.566 1.00 0.00 O ATOM 159 CB PRO A 13 -5.728 -16.897 -4.089 1.00 0.00 C ATOM 160 CG PRO A 13 -5.149 -18.228 -3.751 1.00 0.00 C ATOM 161 CD PRO A 13 -5.782 -19.207 -4.701 1.00 0.00 C ATOM 0 HA PRO A 13 -6.834 -16.378 -5.928 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -5.046 -16.089 -3.822 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -6.658 -16.721 -3.548 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -4.065 -18.222 -3.862 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -5.362 -18.495 -2.716 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -5.098 -20.015 -4.960 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -6.671 -19.668 -4.270 1.00 0.00 H new ATOM 169 N LEU A 14 -4.923 -15.072 -6.731 1.00 0.00 N ATOM 170 CA LEU A 14 -3.866 -14.370 -7.451 1.00 0.00 C ATOM 171 C LEU A 14 -2.810 -13.839 -6.487 1.00 0.00 C ATOM 172 O LEU A 14 -1.659 -14.274 -6.511 1.00 0.00 O ATOM 173 CB LEU A 14 -4.456 -13.218 -8.265 1.00 0.00 C ATOM 174 CG LEU A 14 -5.358 -13.615 -9.434 1.00 0.00 C ATOM 175 CD1 LEU A 14 -6.767 -13.910 -8.945 1.00 0.00 C ATOM 176 CD2 LEU A 14 -5.377 -12.518 -10.490 1.00 0.00 C ATOM 0 H LEU A 14 -5.758 -14.513 -6.557 1.00 0.00 H new ATOM 0 HA LEU A 14 -3.389 -15.078 -8.128 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -5.028 -12.579 -7.592 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -3.634 -12.616 -8.654 1.00 0.00 H new ATOM 0 HG LEU A 14 -4.955 -14.521 -9.887 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -7.394 -14.191 -9.791 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -6.739 -14.729 -8.227 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -7.179 -13.022 -8.466 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -6.024 -12.818 -11.314 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -5.755 -11.595 -10.049 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -4.366 -12.355 -10.863 1.00 0.00 H new ATOM 188 N TRP A 15 -3.211 -12.898 -5.639 1.00 0.00 N ATOM 189 CA TRP A 15 -2.299 -12.309 -4.665 1.00 0.00 C ATOM 190 C TRP A 15 -2.495 -12.935 -3.288 1.00 0.00 C ATOM 191 O TRP A 15 -3.286 -13.863 -3.126 1.00 0.00 O ATOM 192 CB TRP A 15 -2.512 -10.797 -4.586 1.00 0.00 C ATOM 193 CG TRP A 15 -2.404 -10.112 -5.915 1.00 0.00 C ATOM 194 CD1 TRP A 15 -3.257 -10.237 -6.974 1.00 0.00 C ATOM 195 CD2 TRP A 15 -1.383 -9.196 -6.326 1.00 0.00 C ATOM 196 NE1 TRP A 15 -2.828 -9.455 -8.019 1.00 0.00 N ATOM 197 CE2 TRP A 15 -1.680 -8.806 -7.646 1.00 0.00 C ATOM 198 CE3 TRP A 15 -0.247 -8.667 -5.707 1.00 0.00 C ATOM 199 CZ2 TRP A 15 -0.882 -7.912 -8.356 1.00 0.00 C ATOM 200 CZ3 TRP A 15 0.544 -7.780 -6.413 1.00 0.00 C ATOM 201 CH2 TRP A 15 0.223 -7.410 -7.725 1.00 0.00 C ATOM 0 H TRP A 15 -4.161 -12.527 -5.606 1.00 0.00 H new ATOM 0 HA TRP A 15 -1.279 -12.509 -4.993 1.00 0.00 H new ATOM 0 HB2 TRP A 15 -3.496 -10.598 -4.161 1.00 0.00 H new ATOM 0 HB3 TRP A 15 -1.778 -10.369 -3.904 1.00 0.00 H new ATOM 0 HD1 TRP A 15 -4.140 -10.859 -6.988 1.00 0.00 H new ATOM 0 HE1 TRP A 15 -3.289 -9.371 -8.925 1.00 0.00 H new ATOM 0 HE3 TRP A 15 0.008 -8.946 -4.695 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 -1.127 -7.626 -9.368 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 1.424 -7.365 -5.945 1.00 0.00 H new ATOM 0 HH2 TRP A 15 0.861 -6.714 -8.249 1.00 0.00 H new ATOM 212 N GLU A 16 -1.770 -12.420 -2.300 1.00 0.00 N ATOM 213 CA GLU A 16 -1.865 -12.931 -0.938 1.00 0.00 C ATOM 214 C GLU A 16 -3.150 -12.453 -0.266 1.00 0.00 C ATOM 215 O GLU A 16 -3.617 -11.336 -0.487 1.00 0.00 O ATOM 216 CB GLU A 16 -0.652 -12.486 -0.117 1.00 0.00 C ATOM 217 CG GLU A 16 0.601 -13.300 -0.393 1.00 0.00 C ATOM 218 CD GLU A 16 1.836 -12.707 0.256 1.00 0.00 C ATOM 219 OE1 GLU A 16 2.400 -11.747 -0.309 1.00 0.00 O ATOM 220 OE2 GLU A 16 2.239 -13.204 1.328 1.00 0.00 O ATOM 0 H GLU A 16 -1.111 -11.650 -2.417 1.00 0.00 H new ATOM 0 HA GLU A 16 -1.883 -14.020 -0.986 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -0.447 -11.436 -0.327 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -0.895 -12.557 0.943 1.00 0.00 H new ATOM 0 HG2 GLU A 16 0.457 -14.317 -0.029 1.00 0.00 H new ATOM 0 HG3 GLU A 16 0.757 -13.366 -1.470 1.00 0.00 H new ATOM 227 N PRO A 17 -3.736 -13.320 0.573 1.00 0.00 N ATOM 228 CA PRO A 17 -4.974 -13.011 1.294 1.00 0.00 C ATOM 229 C PRO A 17 -4.767 -11.954 2.374 1.00 0.00 C ATOM 230 O PRO A 17 -5.535 -10.998 2.473 1.00 0.00 O ATOM 231 CB PRO A 17 -5.362 -14.351 1.924 1.00 0.00 C ATOM 232 CG PRO A 17 -4.078 -15.095 2.052 1.00 0.00 C ATOM 233 CD PRO A 17 -3.234 -14.670 0.883 1.00 0.00 C ATOM 0 HA PRO A 17 -5.737 -12.598 0.635 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -5.836 -14.209 2.895 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -6.072 -14.892 1.298 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -3.584 -14.861 2.995 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -4.248 -16.172 2.039 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -2.174 -14.656 1.137 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -3.350 -15.346 0.036 1.00 0.00 H new ATOM 241 N GLU A 18 -3.725 -12.134 3.179 1.00 0.00 N ATOM 242 CA GLU A 18 -3.419 -11.195 4.252 1.00 0.00 C ATOM 243 C GLU A 18 -3.041 -9.828 3.688 1.00 0.00 C ATOM 244 O GLU A 18 -3.484 -8.795 4.189 1.00 0.00 O ATOM 245 CB GLU A 18 -2.280 -11.733 5.121 1.00 0.00 C ATOM 246 CG GLU A 18 -0.977 -11.930 4.363 1.00 0.00 C ATOM 247 CD GLU A 18 0.022 -12.774 5.130 1.00 0.00 C ATOM 248 OE1 GLU A 18 0.053 -12.670 6.375 1.00 0.00 O ATOM 249 OE2 GLU A 18 0.773 -13.537 4.487 1.00 0.00 O ATOM 0 H GLU A 18 -3.079 -12.920 3.109 1.00 0.00 H new ATOM 0 HA GLU A 18 -4.312 -11.081 4.866 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -2.109 -11.044 5.948 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -2.585 -12.685 5.556 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -1.187 -12.404 3.404 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -0.535 -10.957 4.148 1.00 0.00 H new ATOM 256 N GLU A 19 -2.220 -9.833 2.642 1.00 0.00 N ATOM 257 CA GLU A 19 -1.782 -8.593 2.011 1.00 0.00 C ATOM 258 C GLU A 19 -2.973 -7.811 1.464 1.00 0.00 C ATOM 259 O GLU A 19 -3.987 -8.392 1.075 1.00 0.00 O ATOM 260 CB GLU A 19 -0.792 -8.892 0.883 1.00 0.00 C ATOM 261 CG GLU A 19 0.550 -9.408 1.373 1.00 0.00 C ATOM 262 CD GLU A 19 1.361 -8.342 2.084 1.00 0.00 C ATOM 263 OE1 GLU A 19 0.960 -7.936 3.195 1.00 0.00 O ATOM 264 OE2 GLU A 19 2.395 -7.915 1.531 1.00 0.00 O ATOM 0 H GLU A 19 -1.846 -10.680 2.214 1.00 0.00 H new ATOM 0 HA GLU A 19 -1.287 -7.984 2.768 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -1.232 -9.629 0.211 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -0.632 -7.984 0.301 1.00 0.00 H new ATOM 0 HG2 GLU A 19 0.387 -10.247 2.050 1.00 0.00 H new ATOM 0 HG3 GLU A 19 1.120 -9.788 0.525 1.00 0.00 H new ATOM 271 N THR A 20 -2.842 -6.488 1.436 1.00 0.00 N ATOM 272 CA THR A 20 -3.906 -5.626 0.938 1.00 0.00 C ATOM 273 C THR A 20 -3.744 -5.356 -0.553 1.00 0.00 C ATOM 274 O THR A 20 -2.759 -4.754 -0.982 1.00 0.00 O ATOM 275 CB THR A 20 -3.938 -4.282 1.691 1.00 0.00 C ATOM 276 OG1 THR A 20 -4.141 -4.508 3.090 1.00 0.00 O ATOM 277 CG2 THR A 20 -5.042 -3.385 1.152 1.00 0.00 C ATOM 0 H THR A 20 -2.009 -5.991 1.752 1.00 0.00 H new ATOM 0 HA THR A 20 -4.845 -6.153 1.108 1.00 0.00 H new ATOM 0 HB THR A 20 -2.980 -3.784 1.539 1.00 0.00 H new ATOM 0 HG1 THR A 20 -4.158 -3.649 3.561 1.00 0.00 H new ATOM 0 HG21 THR A 20 -5.045 -2.442 1.699 1.00 0.00 H new ATOM 0 HG22 THR A 20 -4.868 -3.190 0.094 1.00 0.00 H new ATOM 0 HG23 THR A 20 -6.006 -3.879 1.276 1.00 0.00 H new ATOM 285 N VAL A 21 -4.716 -5.805 -1.340 1.00 0.00 N ATOM 286 CA VAL A 21 -4.682 -5.611 -2.785 1.00 0.00 C ATOM 287 C VAL A 21 -5.592 -4.463 -3.207 1.00 0.00 C ATOM 288 O VAL A 21 -6.725 -4.351 -2.739 1.00 0.00 O ATOM 289 CB VAL A 21 -5.104 -6.889 -3.534 1.00 0.00 C ATOM 290 CG1 VAL A 21 -5.195 -6.626 -5.029 1.00 0.00 C ATOM 291 CG2 VAL A 21 -4.134 -8.023 -3.241 1.00 0.00 C ATOM 0 H VAL A 21 -5.537 -6.306 -1.001 1.00 0.00 H new ATOM 0 HA VAL A 21 -3.652 -5.369 -3.047 1.00 0.00 H new ATOM 0 HB VAL A 21 -6.091 -7.187 -3.181 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -5.494 -7.540 -5.542 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -5.933 -5.846 -5.217 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -4.223 -6.303 -5.401 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -4.448 -8.918 -3.778 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -3.133 -7.738 -3.564 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -4.125 -8.227 -2.170 1.00 0.00 H new ATOM 301 N VAL A 22 -5.089 -3.611 -4.095 1.00 0.00 N ATOM 302 CA VAL A 22 -5.857 -2.472 -4.582 1.00 0.00 C ATOM 303 C VAL A 22 -5.850 -2.416 -6.106 1.00 0.00 C ATOM 304 O VAL A 22 -4.924 -2.910 -6.751 1.00 0.00 O ATOM 305 CB VAL A 22 -5.306 -1.145 -4.028 1.00 0.00 C ATOM 306 CG1 VAL A 22 -5.828 -0.896 -2.621 1.00 0.00 C ATOM 307 CG2 VAL A 22 -3.784 -1.151 -4.047 1.00 0.00 C ATOM 0 H VAL A 22 -4.152 -3.689 -4.492 1.00 0.00 H new ATOM 0 HA VAL A 22 -6.880 -2.607 -4.231 1.00 0.00 H new ATOM 0 HB VAL A 22 -5.652 -0.333 -4.667 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -5.428 0.046 -2.246 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -6.917 -0.846 -2.640 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -5.514 -1.709 -1.967 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -3.411 -0.206 -3.652 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -3.416 -1.972 -3.431 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -3.433 -1.280 -5.071 1.00 0.00 H new ATOM 317 N ILE A 23 -6.887 -1.810 -6.675 1.00 0.00 N ATOM 318 CA ILE A 23 -6.999 -1.688 -8.123 1.00 0.00 C ATOM 319 C ILE A 23 -7.129 -0.227 -8.542 1.00 0.00 C ATOM 320 O ILE A 23 -7.755 0.575 -7.850 1.00 0.00 O ATOM 321 CB ILE A 23 -8.207 -2.475 -8.662 1.00 0.00 C ATOM 322 CG1 ILE A 23 -8.182 -3.913 -8.140 1.00 0.00 C ATOM 323 CG2 ILE A 23 -8.214 -2.458 -10.184 1.00 0.00 C ATOM 324 CD1 ILE A 23 -9.543 -4.573 -8.119 1.00 0.00 C ATOM 0 H ILE A 23 -7.661 -1.396 -6.155 1.00 0.00 H new ATOM 0 HA ILE A 23 -6.086 -2.106 -8.547 1.00 0.00 H new ATOM 0 HB ILE A 23 -9.120 -1.996 -8.308 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -7.510 -4.505 -8.762 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -7.770 -3.917 -7.131 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -9.074 -3.019 -10.550 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -8.275 -1.428 -10.536 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -7.297 -2.915 -10.557 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -9.448 -5.590 -7.738 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -10.213 -4.004 -7.474 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -9.949 -4.601 -9.130 1.00 0.00 H new ATOM 336 N ALA A 24 -6.535 0.110 -9.682 1.00 0.00 N ATOM 337 CA ALA A 24 -6.587 1.473 -10.197 1.00 0.00 C ATOM 338 C ALA A 24 -7.842 1.696 -11.033 1.00 0.00 C ATOM 339 O ALA A 24 -8.174 0.887 -11.902 1.00 0.00 O ATOM 340 CB ALA A 24 -5.343 1.776 -11.018 1.00 0.00 C ATOM 0 H ALA A 24 -6.012 -0.542 -10.267 1.00 0.00 H new ATOM 0 HA ALA A 24 -6.622 2.155 -9.347 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -5.396 2.797 -11.396 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -4.458 1.667 -10.391 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -5.282 1.082 -11.856 1.00 0.00 H new ATOM 346 N LEU A 25 -8.538 2.796 -10.767 1.00 0.00 N ATOM 347 CA LEU A 25 -9.758 3.125 -11.495 1.00 0.00 C ATOM 348 C LEU A 25 -9.433 3.737 -12.854 1.00 0.00 C ATOM 349 O LEU A 25 -10.171 3.551 -13.822 1.00 0.00 O ATOM 350 CB LEU A 25 -10.617 4.093 -10.680 1.00 0.00 C ATOM 351 CG LEU A 25 -11.076 3.592 -9.310 1.00 0.00 C ATOM 352 CD1 LEU A 25 -11.385 4.763 -8.390 1.00 0.00 C ATOM 353 CD2 LEU A 25 -12.292 2.688 -9.453 1.00 0.00 C ATOM 0 H LEU A 25 -8.278 3.475 -10.052 1.00 0.00 H new ATOM 0 HA LEU A 25 -10.315 2.202 -11.656 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -10.054 5.015 -10.537 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -11.500 4.346 -11.267 1.00 0.00 H new ATOM 0 HG LEU A 25 -10.267 3.012 -8.866 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -11.710 4.387 -7.420 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -10.490 5.371 -8.262 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -12.177 5.371 -8.828 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -12.605 2.341 -8.468 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -13.106 3.244 -9.917 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -12.037 1.831 -10.076 1.00 0.00 H new ATOM 365 N TYR A 26 -8.323 4.464 -12.919 1.00 0.00 N ATOM 366 CA TYR A 26 -7.900 5.103 -14.160 1.00 0.00 C ATOM 367 C TYR A 26 -6.419 4.853 -14.423 1.00 0.00 C ATOM 368 O TYR A 26 -5.650 4.579 -13.502 1.00 0.00 O ATOM 369 CB TYR A 26 -8.173 6.607 -14.102 1.00 0.00 C ATOM 370 CG TYR A 26 -9.388 6.971 -13.280 1.00 0.00 C ATOM 371 CD1 TYR A 26 -9.287 7.185 -11.911 1.00 0.00 C ATOM 372 CD2 TYR A 26 -10.638 7.102 -13.873 1.00 0.00 C ATOM 373 CE1 TYR A 26 -10.396 7.516 -11.156 1.00 0.00 C ATOM 374 CE2 TYR A 26 -11.752 7.435 -13.126 1.00 0.00 C ATOM 375 CZ TYR A 26 -11.625 7.641 -11.768 1.00 0.00 C ATOM 376 OH TYR A 26 -12.732 7.972 -11.020 1.00 0.00 O ATOM 0 H TYR A 26 -7.700 4.626 -12.128 1.00 0.00 H new ATOM 0 HA TYR A 26 -8.474 4.668 -14.978 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -7.300 7.110 -13.687 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -8.305 6.983 -15.116 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -8.325 7.091 -11.429 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -10.741 6.941 -14.936 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -10.300 7.676 -10.092 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -12.716 7.533 -13.603 1.00 0.00 H new ATOM 0 HH TYR A 26 -13.518 8.021 -11.603 1.00 0.00 H new ATOM 386 N ASP A 27 -6.025 4.951 -15.688 1.00 0.00 N ATOM 387 CA ASP A 27 -4.635 4.737 -16.076 1.00 0.00 C ATOM 388 C ASP A 27 -3.781 5.952 -15.726 1.00 0.00 C ATOM 389 O ASP A 27 -3.708 6.913 -16.491 1.00 0.00 O ATOM 390 CB ASP A 27 -4.540 4.445 -17.574 1.00 0.00 C ATOM 391 CG ASP A 27 -3.110 4.241 -18.034 1.00 0.00 C ATOM 392 OD1 ASP A 27 -2.381 5.246 -18.168 1.00 0.00 O ATOM 393 OD2 ASP A 27 -2.720 3.076 -18.261 1.00 0.00 O ATOM 0 H ASP A 27 -6.649 5.177 -16.463 1.00 0.00 H new ATOM 0 HA ASP A 27 -4.257 3.878 -15.523 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -5.124 3.554 -17.805 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -4.984 5.270 -18.131 1.00 0.00 H new ATOM 398 N TYR A 28 -3.138 5.901 -14.565 1.00 0.00 N ATOM 399 CA TYR A 28 -2.291 6.999 -14.112 1.00 0.00 C ATOM 400 C TYR A 28 -0.917 6.934 -14.770 1.00 0.00 C ATOM 401 O TYR A 28 -0.382 5.852 -15.009 1.00 0.00 O ATOM 402 CB TYR A 28 -2.143 6.961 -12.590 1.00 0.00 C ATOM 403 CG TYR A 28 -1.269 8.065 -12.039 1.00 0.00 C ATOM 404 CD1 TYR A 28 -1.722 9.378 -11.991 1.00 0.00 C ATOM 405 CD2 TYR A 28 0.010 7.796 -11.566 1.00 0.00 C ATOM 406 CE1 TYR A 28 -0.927 10.390 -11.489 1.00 0.00 C ATOM 407 CE2 TYR A 28 0.811 8.802 -11.062 1.00 0.00 C ATOM 408 CZ TYR A 28 0.339 10.097 -11.026 1.00 0.00 C ATOM 409 OH TYR A 28 1.134 11.102 -10.524 1.00 0.00 O ATOM 0 H TYR A 28 -3.187 5.112 -13.920 1.00 0.00 H new ATOM 0 HA TYR A 28 -2.768 7.936 -14.401 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -3.131 7.030 -12.135 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -1.725 5.998 -12.298 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -2.713 9.611 -12.352 1.00 0.00 H new ATOM 0 HD2 TYR A 28 0.384 6.783 -11.593 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -1.295 11.405 -11.459 1.00 0.00 H new ATOM 0 HE2 TYR A 28 1.802 8.575 -10.698 1.00 0.00 H new ATOM 0 HH TYR A 28 1.994 10.728 -10.239 1.00 0.00 H new ATOM 419 N GLN A 29 -0.351 8.102 -15.060 1.00 0.00 N ATOM 420 CA GLN A 29 0.961 8.179 -15.691 1.00 0.00 C ATOM 421 C GLN A 29 1.864 9.160 -14.952 1.00 0.00 C ATOM 422 O GLN A 29 1.387 10.100 -14.313 1.00 0.00 O ATOM 423 CB GLN A 29 0.822 8.598 -17.156 1.00 0.00 C ATOM 424 CG GLN A 29 0.532 7.440 -18.096 1.00 0.00 C ATOM 425 CD GLN A 29 0.004 7.898 -19.441 1.00 0.00 C ATOM 426 OE1 GLN A 29 -0.971 8.646 -19.516 1.00 0.00 O ATOM 427 NE2 GLN A 29 0.648 7.452 -20.513 1.00 0.00 N ATOM 0 H GLN A 29 -0.781 9.007 -14.868 1.00 0.00 H new ATOM 0 HA GLN A 29 1.417 7.190 -15.645 1.00 0.00 H new ATOM 0 HB2 GLN A 29 0.021 9.333 -17.240 1.00 0.00 H new ATOM 0 HB3 GLN A 29 1.741 9.091 -17.473 1.00 0.00 H new ATOM 0 HG2 GLN A 29 1.444 6.862 -18.246 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -0.195 6.774 -17.632 1.00 0.00 H new ATOM 0 HE21 GLN A 29 1.452 6.833 -20.404 1.00 0.00 H new ATOM 0 HE22 GLN A 29 0.339 7.728 -21.445 1.00 0.00 H new ATOM 436 N THR A 30 3.171 8.937 -15.041 1.00 0.00 N ATOM 437 CA THR A 30 4.141 9.801 -14.379 1.00 0.00 C ATOM 438 C THR A 30 5.556 9.514 -14.868 1.00 0.00 C ATOM 439 O THR A 30 5.907 8.368 -15.144 1.00 0.00 O ATOM 440 CB THR A 30 4.094 9.629 -12.849 1.00 0.00 C ATOM 441 OG1 THR A 30 5.019 10.528 -12.227 1.00 0.00 O ATOM 442 CG2 THR A 30 4.427 8.198 -12.455 1.00 0.00 C ATOM 0 H THR A 30 3.583 8.165 -15.565 1.00 0.00 H new ATOM 0 HA THR A 30 3.874 10.827 -14.630 1.00 0.00 H new ATOM 0 HB THR A 30 3.083 9.856 -12.510 1.00 0.00 H new ATOM 0 HG1 THR A 30 4.565 11.022 -11.512 1.00 0.00 H new ATOM 0 HG21 THR A 30 4.388 8.101 -11.370 1.00 0.00 H new ATOM 0 HG22 THR A 30 3.704 7.519 -12.907 1.00 0.00 H new ATOM 0 HG23 THR A 30 5.428 7.948 -12.805 1.00 0.00 H new ATOM 450 N ASN A 31 6.365 10.564 -14.973 1.00 0.00 N ATOM 451 CA ASN A 31 7.743 10.424 -15.429 1.00 0.00 C ATOM 452 C ASN A 31 8.723 10.792 -14.320 1.00 0.00 C ATOM 453 O ASN A 31 9.741 11.440 -14.566 1.00 0.00 O ATOM 454 CB ASN A 31 7.988 11.306 -16.655 1.00 0.00 C ATOM 455 CG ASN A 31 7.011 11.019 -17.779 1.00 0.00 C ATOM 456 OD1 ASN A 31 5.865 11.469 -17.750 1.00 0.00 O ATOM 457 ND2 ASN A 31 7.461 10.267 -18.776 1.00 0.00 N ATOM 0 H ASN A 31 6.090 11.520 -14.749 1.00 0.00 H new ATOM 0 HA ASN A 31 7.905 9.381 -15.701 1.00 0.00 H new ATOM 0 HB2 ASN A 31 7.908 12.354 -16.367 1.00 0.00 H new ATOM 0 HB3 ASN A 31 9.006 11.151 -17.013 1.00 0.00 H new ATOM 0 HD21 ASN A 31 6.849 10.040 -19.560 1.00 0.00 H new ATOM 0 HD22 ASN A 31 8.418 9.916 -18.758 1.00 0.00 H new ATOM 464 N ASP A 32 8.409 10.375 -13.098 1.00 0.00 N ATOM 465 CA ASP A 32 9.263 10.659 -11.950 1.00 0.00 C ATOM 466 C ASP A 32 9.491 9.401 -11.118 1.00 0.00 C ATOM 467 O ASP A 32 8.627 8.530 -11.016 1.00 0.00 O ATOM 468 CB ASP A 32 8.639 11.754 -11.083 1.00 0.00 C ATOM 469 CG ASP A 32 9.060 13.145 -11.514 1.00 0.00 C ATOM 470 OD1 ASP A 32 8.943 13.453 -12.719 1.00 0.00 O ATOM 471 OD2 ASP A 32 9.505 13.926 -10.648 1.00 0.00 O ATOM 0 H ASP A 32 7.570 9.839 -12.877 1.00 0.00 H new ATOM 0 HA ASP A 32 10.227 11.006 -12.322 1.00 0.00 H new ATOM 0 HB2 ASP A 32 7.553 11.676 -11.130 1.00 0.00 H new ATOM 0 HB3 ASP A 32 8.925 11.597 -10.043 1.00 0.00 H new ATOM 476 N PRO A 33 10.682 9.302 -10.509 1.00 0.00 N ATOM 477 CA PRO A 33 11.051 8.154 -9.675 1.00 0.00 C ATOM 478 C PRO A 33 10.268 8.112 -8.367 1.00 0.00 C ATOM 479 O PRO A 33 9.962 7.037 -7.852 1.00 0.00 O ATOM 480 CB PRO A 33 12.540 8.380 -9.400 1.00 0.00 C ATOM 481 CG PRO A 33 12.730 9.852 -9.531 1.00 0.00 C ATOM 482 CD PRO A 33 11.759 10.303 -10.586 1.00 0.00 C ATOM 0 HA PRO A 33 10.833 7.206 -10.167 1.00 0.00 H new ATOM 0 HB2 PRO A 33 12.816 8.032 -8.405 1.00 0.00 H new ATOM 0 HB3 PRO A 33 13.161 7.836 -10.111 1.00 0.00 H new ATOM 0 HG2 PRO A 33 12.539 10.356 -8.584 1.00 0.00 H new ATOM 0 HG3 PRO A 33 13.755 10.089 -9.817 1.00 0.00 H new ATOM 0 HD2 PRO A 33 11.388 11.308 -10.387 1.00 0.00 H new ATOM 0 HD3 PRO A 33 12.219 10.323 -11.574 1.00 0.00 H new ATOM 490 N GLN A 34 9.948 9.287 -7.836 1.00 0.00 N ATOM 491 CA GLN A 34 9.201 9.383 -6.588 1.00 0.00 C ATOM 492 C GLN A 34 7.753 8.947 -6.785 1.00 0.00 C ATOM 493 O GLN A 34 7.093 8.509 -5.843 1.00 0.00 O ATOM 494 CB GLN A 34 9.246 10.814 -6.050 1.00 0.00 C ATOM 495 CG GLN A 34 8.311 11.767 -6.777 1.00 0.00 C ATOM 496 CD GLN A 34 8.776 13.208 -6.707 1.00 0.00 C ATOM 497 OE1 GLN A 34 9.586 13.651 -7.523 1.00 0.00 O ATOM 498 NE2 GLN A 34 8.266 13.949 -5.731 1.00 0.00 N ATOM 0 H GLN A 34 10.194 10.186 -8.250 1.00 0.00 H new ATOM 0 HA GLN A 34 9.667 8.715 -5.863 1.00 0.00 H new ATOM 0 HB2 GLN A 34 8.989 10.803 -4.991 1.00 0.00 H new ATOM 0 HB3 GLN A 34 10.266 11.190 -6.127 1.00 0.00 H new ATOM 0 HG2 GLN A 34 8.231 11.465 -7.821 1.00 0.00 H new ATOM 0 HG3 GLN A 34 7.313 11.690 -6.346 1.00 0.00 H new ATOM 0 HE21 GLN A 34 7.598 13.541 -5.077 1.00 0.00 H new ATOM 0 HE22 GLN A 34 8.542 14.926 -5.635 1.00 0.00 H new ATOM 507 N GLU A 35 7.265 9.070 -8.016 1.00 0.00 N ATOM 508 CA GLU A 35 5.894 8.689 -8.335 1.00 0.00 C ATOM 509 C GLU A 35 5.868 7.487 -9.274 1.00 0.00 C ATOM 510 O GLU A 35 6.793 7.278 -10.061 1.00 0.00 O ATOM 511 CB GLU A 35 5.151 9.865 -8.974 1.00 0.00 C ATOM 512 CG GLU A 35 4.843 10.991 -8.002 1.00 0.00 C ATOM 513 CD GLU A 35 4.179 12.177 -8.673 1.00 0.00 C ATOM 514 OE1 GLU A 35 4.783 12.745 -9.607 1.00 0.00 O ATOM 515 OE2 GLU A 35 3.054 12.536 -8.266 1.00 0.00 O ATOM 0 H GLU A 35 7.798 9.430 -8.807 1.00 0.00 H new ATOM 0 HA GLU A 35 5.395 8.413 -7.406 1.00 0.00 H new ATOM 0 HB2 GLU A 35 5.750 10.259 -9.795 1.00 0.00 H new ATOM 0 HB3 GLU A 35 4.218 9.503 -9.405 1.00 0.00 H new ATOM 0 HG2 GLU A 35 4.194 10.616 -7.211 1.00 0.00 H new ATOM 0 HG3 GLU A 35 5.768 11.318 -7.527 1.00 0.00 H new ATOM 522 N LEU A 36 4.803 6.697 -9.185 1.00 0.00 N ATOM 523 CA LEU A 36 4.656 5.514 -10.026 1.00 0.00 C ATOM 524 C LEU A 36 3.421 5.628 -10.913 1.00 0.00 C ATOM 525 O LEU A 36 2.433 6.261 -10.542 1.00 0.00 O ATOM 526 CB LEU A 36 4.561 4.257 -9.159 1.00 0.00 C ATOM 527 CG LEU A 36 4.111 2.982 -9.873 1.00 0.00 C ATOM 528 CD1 LEU A 36 5.281 2.337 -10.600 1.00 0.00 C ATOM 529 CD2 LEU A 36 3.493 2.006 -8.882 1.00 0.00 C ATOM 0 H LEU A 36 4.029 6.854 -8.539 1.00 0.00 H new ATOM 0 HA LEU A 36 5.535 5.441 -10.666 1.00 0.00 H new ATOM 0 HB2 LEU A 36 5.538 4.074 -8.712 1.00 0.00 H new ATOM 0 HB3 LEU A 36 3.868 4.455 -8.341 1.00 0.00 H new ATOM 0 HG LEU A 36 3.354 3.249 -10.610 1.00 0.00 H new ATOM 0 HD11 LEU A 36 4.942 1.431 -11.102 1.00 0.00 H new ATOM 0 HD12 LEU A 36 5.680 3.034 -11.338 1.00 0.00 H new ATOM 0 HD13 LEU A 36 6.061 2.084 -9.882 1.00 0.00 H new ATOM 0 HD21 LEU A 36 3.178 1.104 -9.407 1.00 0.00 H new ATOM 0 HD22 LEU A 36 4.229 1.745 -8.122 1.00 0.00 H new ATOM 0 HD23 LEU A 36 2.628 2.469 -8.406 1.00 0.00 H new ATOM 541 N ALA A 37 3.483 5.008 -12.087 1.00 0.00 N ATOM 542 CA ALA A 37 2.369 5.036 -13.026 1.00 0.00 C ATOM 543 C ALA A 37 1.492 3.797 -12.875 1.00 0.00 C ATOM 544 O ALA A 37 1.986 2.669 -12.889 1.00 0.00 O ATOM 545 CB ALA A 37 2.884 5.149 -14.454 1.00 0.00 C ATOM 0 H ALA A 37 4.294 4.480 -12.410 1.00 0.00 H new ATOM 0 HA ALA A 37 1.759 5.911 -12.801 1.00 0.00 H new ATOM 0 HB1 ALA A 37 2.041 5.169 -15.144 1.00 0.00 H new ATOM 0 HB2 ALA A 37 3.462 6.067 -14.561 1.00 0.00 H new ATOM 0 HB3 ALA A 37 3.519 4.292 -14.681 1.00 0.00 H new ATOM 551 N LEU A 38 0.190 4.014 -12.730 1.00 0.00 N ATOM 552 CA LEU A 38 -0.756 2.915 -12.575 1.00 0.00 C ATOM 553 C LEU A 38 -1.389 2.548 -13.913 1.00 0.00 C ATOM 554 O LEU A 38 -1.273 3.289 -14.890 1.00 0.00 O ATOM 555 CB LEU A 38 -1.846 3.291 -11.569 1.00 0.00 C ATOM 556 CG LEU A 38 -1.368 3.624 -10.155 1.00 0.00 C ATOM 557 CD1 LEU A 38 -2.467 4.323 -9.371 1.00 0.00 C ATOM 558 CD2 LEU A 38 -0.916 2.362 -9.434 1.00 0.00 C ATOM 0 H LEU A 38 -0.235 4.941 -12.717 1.00 0.00 H new ATOM 0 HA LEU A 38 -0.209 2.049 -12.202 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -2.391 4.151 -11.959 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -2.555 2.466 -11.506 1.00 0.00 H new ATOM 0 HG LEU A 38 -0.517 4.301 -10.230 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -2.109 4.552 -8.367 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -2.743 5.248 -9.878 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -3.338 3.671 -9.305 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -0.579 2.618 -8.429 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -1.749 1.661 -9.370 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -0.096 1.902 -9.985 1.00 0.00 H new ATOM 570 N ARG A 39 -2.060 1.401 -13.951 1.00 0.00 N ATOM 571 CA ARG A 39 -2.712 0.937 -15.169 1.00 0.00 C ATOM 572 C ARG A 39 -4.204 0.715 -14.937 1.00 0.00 C ATOM 573 O ARG A 39 -4.629 0.400 -13.826 1.00 0.00 O ATOM 574 CB ARG A 39 -2.063 -0.360 -15.658 1.00 0.00 C ATOM 575 CG ARG A 39 -2.357 -0.677 -17.115 1.00 0.00 C ATOM 576 CD ARG A 39 -1.242 -1.497 -17.743 1.00 0.00 C ATOM 577 NE ARG A 39 -1.462 -2.932 -17.588 1.00 0.00 N ATOM 578 CZ ARG A 39 -0.493 -3.837 -17.665 1.00 0.00 C ATOM 579 NH1 ARG A 39 0.756 -3.458 -17.894 1.00 0.00 N ATOM 580 NH2 ARG A 39 -0.773 -5.125 -17.512 1.00 0.00 N ATOM 0 H ARG A 39 -2.166 0.776 -13.152 1.00 0.00 H new ATOM 0 HA ARG A 39 -2.591 1.707 -15.931 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -0.984 -0.290 -15.521 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -2.411 -1.186 -15.038 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -3.297 -1.224 -17.187 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -2.485 0.251 -17.672 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -1.167 -1.255 -18.803 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -0.291 -1.225 -17.286 1.00 0.00 H new ATOM 0 HE ARG A 39 -2.412 -3.257 -17.411 1.00 0.00 H new ATOM 0 HH11 ARG A 39 0.975 -2.469 -18.012 1.00 0.00 H new ATOM 0 HH12 ARG A 39 1.498 -4.155 -17.953 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -1.733 -5.421 -17.335 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -0.028 -5.819 -17.571 1.00 0.00 H new ATOM 594 N ARG A 40 -4.993 0.884 -15.993 1.00 0.00 N ATOM 595 CA ARG A 40 -6.437 0.704 -15.904 1.00 0.00 C ATOM 596 C ARG A 40 -6.794 -0.773 -15.764 1.00 0.00 C ATOM 597 O ARG A 40 -6.396 -1.598 -16.585 1.00 0.00 O ATOM 598 CB ARG A 40 -7.122 1.291 -17.139 1.00 0.00 C ATOM 599 CG ARG A 40 -8.629 1.093 -17.151 1.00 0.00 C ATOM 600 CD ARG A 40 -9.320 2.123 -18.031 1.00 0.00 C ATOM 601 NE ARG A 40 -9.400 1.688 -19.423 1.00 0.00 N ATOM 602 CZ ARG A 40 -10.000 2.390 -20.379 1.00 0.00 C ATOM 603 NH1 ARG A 40 -10.567 3.553 -20.094 1.00 0.00 N ATOM 604 NH2 ARG A 40 -10.031 1.927 -21.622 1.00 0.00 N ATOM 0 H ARG A 40 -4.657 1.145 -16.920 1.00 0.00 H new ATOM 0 HA ARG A 40 -6.789 1.230 -15.017 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -6.904 2.358 -17.193 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -6.697 0.833 -18.032 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -8.862 0.091 -17.510 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -9.014 1.165 -16.134 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -10.325 2.309 -17.651 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -8.779 3.068 -17.977 1.00 0.00 H new ATOM 0 HE ARG A 40 -8.972 0.797 -19.675 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -10.544 3.911 -19.139 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -11.027 4.090 -20.829 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -9.594 1.032 -21.844 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -10.491 2.466 -22.356 1.00 0.00 H new ATOM 618 N ASN A 41 -7.545 -1.098 -14.717 1.00 0.00 N ATOM 619 CA ASN A 41 -7.954 -2.476 -14.468 1.00 0.00 C ATOM 620 C ASN A 41 -6.751 -3.345 -14.117 1.00 0.00 C ATOM 621 O ASN A 41 -6.595 -4.447 -14.642 1.00 0.00 O ATOM 622 CB ASN A 41 -8.670 -3.046 -15.695 1.00 0.00 C ATOM 623 CG ASN A 41 -9.731 -2.107 -16.234 1.00 0.00 C ATOM 624 OD1 ASN A 41 -9.851 -0.966 -15.787 1.00 0.00 O ATOM 625 ND2 ASN A 41 -10.506 -2.583 -17.201 1.00 0.00 N ATOM 0 H ASN A 41 -7.883 -0.427 -14.027 1.00 0.00 H new ATOM 0 HA ASN A 41 -8.640 -2.479 -13.621 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -7.938 -3.250 -16.477 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -9.131 -3.998 -15.433 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -11.237 -1.997 -17.604 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -10.371 -3.535 -17.541 1.00 0.00 H new ATOM 632 N GLU A 42 -5.905 -2.842 -13.224 1.00 0.00 N ATOM 633 CA GLU A 42 -4.716 -3.574 -12.803 1.00 0.00 C ATOM 634 C GLU A 42 -4.592 -3.581 -11.282 1.00 0.00 C ATOM 635 O GLU A 42 -4.740 -2.546 -10.632 1.00 0.00 O ATOM 636 CB GLU A 42 -3.462 -2.956 -13.425 1.00 0.00 C ATOM 637 CG GLU A 42 -3.156 -3.474 -14.820 1.00 0.00 C ATOM 638 CD GLU A 42 -3.301 -4.980 -14.928 1.00 0.00 C ATOM 639 OE1 GLU A 42 -2.624 -5.696 -14.160 1.00 0.00 O ATOM 640 OE2 GLU A 42 -4.089 -5.442 -15.778 1.00 0.00 O ATOM 0 H GLU A 42 -6.020 -1.932 -12.778 1.00 0.00 H new ATOM 0 HA GLU A 42 -4.814 -4.604 -13.147 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -3.583 -1.874 -13.467 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -2.609 -3.156 -12.777 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -3.825 -2.996 -15.536 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -2.140 -3.190 -15.094 1.00 0.00 H new ATOM 647 N GLU A 43 -4.318 -4.755 -10.721 1.00 0.00 N ATOM 648 CA GLU A 43 -4.176 -4.896 -9.277 1.00 0.00 C ATOM 649 C GLU A 43 -2.769 -4.508 -8.828 1.00 0.00 C ATOM 650 O GLU A 43 -1.817 -4.576 -9.606 1.00 0.00 O ATOM 651 CB GLU A 43 -4.481 -6.334 -8.850 1.00 0.00 C ATOM 652 CG GLU A 43 -5.966 -6.651 -8.798 1.00 0.00 C ATOM 653 CD GLU A 43 -6.240 -8.132 -8.623 1.00 0.00 C ATOM 654 OE1 GLU A 43 -5.695 -8.729 -7.672 1.00 0.00 O ATOM 655 OE2 GLU A 43 -7.001 -8.694 -9.439 1.00 0.00 O ATOM 0 H GLU A 43 -4.190 -5.621 -11.244 1.00 0.00 H new ATOM 0 HA GLU A 43 -4.889 -4.224 -8.800 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -3.995 -7.021 -9.543 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -4.045 -6.512 -7.867 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -6.423 -6.101 -7.975 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -6.440 -6.303 -9.716 1.00 0.00 H new ATOM 662 N TYR A 44 -2.647 -4.102 -7.570 1.00 0.00 N ATOM 663 CA TYR A 44 -1.359 -3.701 -7.018 1.00 0.00 C ATOM 664 C TYR A 44 -1.284 -4.013 -5.526 1.00 0.00 C ATOM 665 O TYR A 44 -2.279 -3.910 -4.808 1.00 0.00 O ATOM 666 CB TYR A 44 -1.124 -2.207 -7.250 1.00 0.00 C ATOM 667 CG TYR A 44 -0.950 -1.841 -8.707 1.00 0.00 C ATOM 668 CD1 TYR A 44 -2.047 -1.744 -9.554 1.00 0.00 C ATOM 669 CD2 TYR A 44 0.310 -1.592 -9.236 1.00 0.00 C ATOM 670 CE1 TYR A 44 -1.894 -1.411 -10.886 1.00 0.00 C ATOM 671 CE2 TYR A 44 0.473 -1.256 -10.565 1.00 0.00 C ATOM 672 CZ TYR A 44 -0.632 -1.167 -11.387 1.00 0.00 C ATOM 673 OH TYR A 44 -0.474 -0.834 -12.712 1.00 0.00 O ATOM 0 H TYR A 44 -3.425 -4.042 -6.913 1.00 0.00 H new ATOM 0 HA TYR A 44 -0.581 -4.269 -7.529 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -1.966 -1.648 -6.841 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -0.237 -1.897 -6.698 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -3.037 -1.932 -9.164 1.00 0.00 H new ATOM 0 HD2 TYR A 44 1.177 -1.663 -8.596 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -2.757 -1.342 -11.531 1.00 0.00 H new ATOM 0 HE2 TYR A 44 1.460 -1.064 -10.959 1.00 0.00 H new ATOM 0 HH TYR A 44 0.477 -0.694 -12.903 1.00 0.00 H new ATOM 683 N CYS A 45 -0.097 -4.394 -5.068 1.00 0.00 N ATOM 684 CA CYS A 45 0.110 -4.722 -3.661 1.00 0.00 C ATOM 685 C CYS A 45 0.517 -3.484 -2.869 1.00 0.00 C ATOM 686 O CYS A 45 1.494 -2.813 -3.204 1.00 0.00 O ATOM 687 CB CYS A 45 1.179 -5.807 -3.521 1.00 0.00 C ATOM 688 SG CYS A 45 1.386 -6.425 -1.834 1.00 0.00 S ATOM 0 H CYS A 45 0.736 -4.484 -5.649 1.00 0.00 H new ATOM 0 HA CYS A 45 -0.831 -5.096 -3.258 1.00 0.00 H new ATOM 0 HB2 CYS A 45 0.922 -6.642 -4.173 1.00 0.00 H new ATOM 0 HB3 CYS A 45 2.132 -5.410 -3.871 1.00 0.00 H new ATOM 0 HG CYS A 45 2.309 -7.340 -1.817 1.00 0.00 H new ATOM 694 N LEU A 46 -0.237 -3.187 -1.817 1.00 0.00 N ATOM 695 CA LEU A 46 0.044 -2.028 -0.976 1.00 0.00 C ATOM 696 C LEU A 46 1.238 -2.294 -0.065 1.00 0.00 C ATOM 697 O LEU A 46 1.206 -3.199 0.770 1.00 0.00 O ATOM 698 CB LEU A 46 -1.184 -1.672 -0.137 1.00 0.00 C ATOM 699 CG LEU A 46 -0.949 -0.698 1.018 1.00 0.00 C ATOM 700 CD1 LEU A 46 -0.533 0.666 0.489 1.00 0.00 C ATOM 701 CD2 LEU A 46 -2.197 -0.580 1.880 1.00 0.00 C ATOM 0 H LEU A 46 -1.048 -3.733 -1.525 1.00 0.00 H new ATOM 0 HA LEU A 46 0.287 -1.188 -1.626 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -1.939 -1.246 -0.797 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -1.600 -2.593 0.270 1.00 0.00 H new ATOM 0 HG LEU A 46 -0.141 -1.087 1.637 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -0.370 1.346 1.325 1.00 0.00 H new ATOM 0 HD12 LEU A 46 0.389 0.568 -0.084 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -1.319 1.062 -0.153 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -2.011 0.117 2.697 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -3.025 -0.215 1.273 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -2.451 -1.558 2.289 1.00 0.00 H new ATOM 713 N LEU A 47 2.289 -1.498 -0.229 1.00 0.00 N ATOM 714 CA LEU A 47 3.493 -1.645 0.581 1.00 0.00 C ATOM 715 C LEU A 47 3.337 -0.937 1.923 1.00 0.00 C ATOM 716 O LEU A 47 3.491 -1.548 2.981 1.00 0.00 O ATOM 717 CB LEU A 47 4.705 -1.086 -0.166 1.00 0.00 C ATOM 718 CG LEU A 47 5.020 -1.734 -1.515 1.00 0.00 C ATOM 719 CD1 LEU A 47 6.027 -0.896 -2.287 1.00 0.00 C ATOM 720 CD2 LEU A 47 5.541 -3.150 -1.318 1.00 0.00 C ATOM 0 H LEU A 47 2.332 -0.745 -0.915 1.00 0.00 H new ATOM 0 HA LEU A 47 3.648 -2.708 0.768 1.00 0.00 H new ATOM 0 HB2 LEU A 47 4.548 -0.019 -0.326 1.00 0.00 H new ATOM 0 HB3 LEU A 47 5.580 -1.186 0.476 1.00 0.00 H new ATOM 0 HG LEU A 47 4.099 -1.785 -2.096 1.00 0.00 H new ATOM 0 HD11 LEU A 47 6.239 -1.372 -3.244 1.00 0.00 H new ATOM 0 HD12 LEU A 47 5.616 0.099 -2.460 1.00 0.00 H new ATOM 0 HD13 LEU A 47 6.949 -0.813 -1.711 1.00 0.00 H new ATOM 0 HD21 LEU A 47 5.760 -3.595 -2.288 1.00 0.00 H new ATOM 0 HD22 LEU A 47 6.450 -3.123 -0.718 1.00 0.00 H new ATOM 0 HD23 LEU A 47 4.786 -3.747 -0.806 1.00 0.00 H new ATOM 732 N ASP A 48 3.029 0.354 1.872 1.00 0.00 N ATOM 733 CA ASP A 48 2.848 1.146 3.083 1.00 0.00 C ATOM 734 C ASP A 48 1.768 2.204 2.885 1.00 0.00 C ATOM 735 O ASP A 48 1.643 2.783 1.806 1.00 0.00 O ATOM 736 CB ASP A 48 4.165 1.812 3.484 1.00 0.00 C ATOM 737 CG ASP A 48 4.223 2.139 4.963 1.00 0.00 C ATOM 738 OD1 ASP A 48 3.813 1.284 5.776 1.00 0.00 O ATOM 739 OD2 ASP A 48 4.676 3.251 5.308 1.00 0.00 O ATOM 0 H ASP A 48 2.899 0.875 1.005 1.00 0.00 H new ATOM 0 HA ASP A 48 2.531 0.475 3.882 1.00 0.00 H new ATOM 0 HB2 ASP A 48 4.995 1.153 3.228 1.00 0.00 H new ATOM 0 HB3 ASP A 48 4.296 2.728 2.907 1.00 0.00 H new ATOM 744 N SER A 49 0.989 2.451 3.933 1.00 0.00 N ATOM 745 CA SER A 49 -0.084 3.437 3.873 1.00 0.00 C ATOM 746 C SER A 49 0.194 4.602 4.818 1.00 0.00 C ATOM 747 O SER A 49 -0.722 5.151 5.430 1.00 0.00 O ATOM 748 CB SER A 49 -1.423 2.786 4.227 1.00 0.00 C ATOM 749 OG SER A 49 -1.427 2.325 5.567 1.00 0.00 O ATOM 0 H SER A 49 1.081 1.982 4.834 1.00 0.00 H new ATOM 0 HA SER A 49 -0.133 3.823 2.855 1.00 0.00 H new ATOM 0 HB2 SER A 49 -2.230 3.505 4.084 1.00 0.00 H new ATOM 0 HB3 SER A 49 -1.616 1.952 3.552 1.00 0.00 H new ATOM 0 HG SER A 49 -2.294 1.915 5.769 1.00 0.00 H new ATOM 755 N SER A 50 1.465 4.973 4.931 1.00 0.00 N ATOM 756 CA SER A 50 1.866 6.070 5.804 1.00 0.00 C ATOM 757 C SER A 50 0.979 7.292 5.582 1.00 0.00 C ATOM 758 O SER A 50 0.378 7.814 6.521 1.00 0.00 O ATOM 759 CB SER A 50 3.331 6.437 5.557 1.00 0.00 C ATOM 760 OG SER A 50 3.812 7.317 6.558 1.00 0.00 O ATOM 0 H SER A 50 2.235 4.530 4.429 1.00 0.00 H new ATOM 0 HA SER A 50 1.751 5.741 6.837 1.00 0.00 H new ATOM 0 HB2 SER A 50 3.938 5.532 5.542 1.00 0.00 H new ATOM 0 HB3 SER A 50 3.432 6.905 4.578 1.00 0.00 H new ATOM 0 HG SER A 50 4.750 7.535 6.379 1.00 0.00 H new ATOM 766 N GLU A 51 0.904 7.743 4.334 1.00 0.00 N ATOM 767 CA GLU A 51 0.092 8.904 3.989 1.00 0.00 C ATOM 768 C GLU A 51 -1.337 8.488 3.654 1.00 0.00 C ATOM 769 O GLU A 51 -1.640 7.299 3.547 1.00 0.00 O ATOM 770 CB GLU A 51 0.709 9.652 2.805 1.00 0.00 C ATOM 771 CG GLU A 51 1.703 10.726 3.214 1.00 0.00 C ATOM 772 CD GLU A 51 1.068 11.822 4.048 1.00 0.00 C ATOM 773 OE1 GLU A 51 0.131 12.480 3.549 1.00 0.00 O ATOM 774 OE2 GLU A 51 1.508 12.021 5.200 1.00 0.00 O ATOM 0 H GLU A 51 1.395 7.322 3.545 1.00 0.00 H new ATOM 0 HA GLU A 51 0.065 9.567 4.854 1.00 0.00 H new ATOM 0 HB2 GLU A 51 1.209 8.935 2.154 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -0.089 10.111 2.221 1.00 0.00 H new ATOM 0 HG2 GLU A 51 2.514 10.268 3.780 1.00 0.00 H new ATOM 0 HG3 GLU A 51 2.146 11.165 2.320 1.00 0.00 H new ATOM 781 N ILE A 52 -2.211 9.476 3.491 1.00 0.00 N ATOM 782 CA ILE A 52 -3.608 9.213 3.167 1.00 0.00 C ATOM 783 C ILE A 52 -3.878 9.428 1.682 1.00 0.00 C ATOM 784 O ILE A 52 -4.370 8.534 0.994 1.00 0.00 O ATOM 785 CB ILE A 52 -4.554 10.111 3.986 1.00 0.00 C ATOM 786 CG1 ILE A 52 -4.311 9.915 5.483 1.00 0.00 C ATOM 787 CG2 ILE A 52 -6.004 9.812 3.635 1.00 0.00 C ATOM 788 CD1 ILE A 52 -4.720 11.104 6.323 1.00 0.00 C ATOM 0 H ILE A 52 -1.977 10.465 3.578 1.00 0.00 H new ATOM 0 HA ILE A 52 -3.800 8.171 3.421 1.00 0.00 H new ATOM 0 HB ILE A 52 -4.348 11.152 3.738 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -4.861 9.036 5.820 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -3.253 9.711 5.647 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -6.660 10.455 4.222 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -6.167 9.999 2.574 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -6.224 8.768 3.858 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -4.519 10.894 7.373 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -4.152 11.981 6.013 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -5.785 11.295 6.189 1.00 0.00 H new ATOM 800 N HIS A 53 -3.552 10.621 1.194 1.00 0.00 N ATOM 801 CA HIS A 53 -3.757 10.953 -0.212 1.00 0.00 C ATOM 802 C HIS A 53 -2.778 10.192 -1.099 1.00 0.00 C ATOM 803 O HIS A 53 -3.101 9.834 -2.232 1.00 0.00 O ATOM 804 CB HIS A 53 -3.597 12.458 -0.430 1.00 0.00 C ATOM 805 CG HIS A 53 -4.243 13.290 0.635 1.00 0.00 C ATOM 806 ND1 HIS A 53 -5.590 13.586 0.645 1.00 0.00 N ATOM 807 CD2 HIS A 53 -3.720 13.888 1.731 1.00 0.00 C ATOM 808 CE1 HIS A 53 -5.867 14.332 1.700 1.00 0.00 C ATOM 809 NE2 HIS A 53 -4.749 14.529 2.376 1.00 0.00 N ATOM 0 H HIS A 53 -3.145 11.373 1.750 1.00 0.00 H new ATOM 0 HA HIS A 53 -4.770 10.659 -0.485 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -2.535 12.699 -0.474 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -4.025 12.724 -1.397 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -2.686 13.865 2.041 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -6.841 14.715 1.965 1.00 0.00 H new ATOM 0 HE2 HIS A 53 -4.664 15.069 3.237 1.00 0.00 H new ATOM 818 N TRP A 54 -1.581 9.949 -0.577 1.00 0.00 N ATOM 819 CA TRP A 54 -0.554 9.230 -1.323 1.00 0.00 C ATOM 820 C TRP A 54 -0.252 7.883 -0.675 1.00 0.00 C ATOM 821 O TRP A 54 0.061 7.812 0.513 1.00 0.00 O ATOM 822 CB TRP A 54 0.724 10.067 -1.407 1.00 0.00 C ATOM 823 CG TRP A 54 0.504 11.431 -1.987 1.00 0.00 C ATOM 824 CD1 TRP A 54 0.574 12.624 -1.325 1.00 0.00 C ATOM 825 CD2 TRP A 54 0.175 11.742 -3.345 1.00 0.00 C ATOM 826 NE1 TRP A 54 0.309 13.658 -2.191 1.00 0.00 N ATOM 827 CE2 TRP A 54 0.062 13.143 -3.436 1.00 0.00 C ATOM 828 CE3 TRP A 54 -0.033 10.974 -4.494 1.00 0.00 C ATOM 829 CZ2 TRP A 54 -0.250 13.789 -4.630 1.00 0.00 C ATOM 830 CZ3 TRP A 54 -0.343 11.616 -5.677 1.00 0.00 C ATOM 831 CH2 TRP A 54 -0.449 13.012 -5.739 1.00 0.00 C ATOM 0 H TRP A 54 -1.298 10.239 0.359 1.00 0.00 H new ATOM 0 HA TRP A 54 -0.930 9.051 -2.330 1.00 0.00 H new ATOM 0 HB2 TRP A 54 1.149 10.169 -0.409 1.00 0.00 H new ATOM 0 HB3 TRP A 54 1.458 9.536 -2.013 1.00 0.00 H new ATOM 0 HD1 TRP A 54 0.804 12.738 -0.276 1.00 0.00 H new ATOM 0 HE1 TRP A 54 0.298 14.648 -1.946 1.00 0.00 H new ATOM 0 HE3 TRP A 54 0.047 9.898 -4.458 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -0.332 14.865 -4.679 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 -0.507 11.032 -6.570 1.00 0.00 H new ATOM 0 HH2 TRP A 54 -0.692 13.484 -6.680 1.00 0.00 H new ATOM 842 N TRP A 55 -0.349 6.818 -1.463 1.00 0.00 N ATOM 843 CA TRP A 55 -0.086 5.473 -0.965 1.00 0.00 C ATOM 844 C TRP A 55 1.066 4.826 -1.726 1.00 0.00 C ATOM 845 O TRP A 55 1.213 5.022 -2.932 1.00 0.00 O ATOM 846 CB TRP A 55 -1.342 4.608 -1.085 1.00 0.00 C ATOM 847 CG TRP A 55 -2.276 4.753 0.079 1.00 0.00 C ATOM 848 CD1 TRP A 55 -2.098 5.540 1.180 1.00 0.00 C ATOM 849 CD2 TRP A 55 -3.533 4.090 0.256 1.00 0.00 C ATOM 850 NE1 TRP A 55 -3.168 5.407 2.032 1.00 0.00 N ATOM 851 CE2 TRP A 55 -4.062 4.523 1.487 1.00 0.00 C ATOM 852 CE3 TRP A 55 -4.263 3.174 -0.506 1.00 0.00 C ATOM 853 CZ2 TRP A 55 -5.286 4.071 1.972 1.00 0.00 C ATOM 854 CZ3 TRP A 55 -5.478 2.725 -0.023 1.00 0.00 C ATOM 855 CH2 TRP A 55 -5.980 3.174 1.205 1.00 0.00 C ATOM 0 H TRP A 55 -0.608 6.860 -2.449 1.00 0.00 H new ATOM 0 HA TRP A 55 0.195 5.550 0.085 1.00 0.00 H new ATOM 0 HB2 TRP A 55 -1.870 4.872 -2.001 1.00 0.00 H new ATOM 0 HB3 TRP A 55 -1.047 3.563 -1.177 1.00 0.00 H new ATOM 0 HD1 TRP A 55 -1.242 6.174 1.356 1.00 0.00 H new ATOM 0 HE1 TRP A 55 -3.279 5.888 2.925 1.00 0.00 H new ATOM 0 HE3 TRP A 55 -3.885 2.823 -1.455 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 -5.674 4.415 2.919 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 -6.050 2.016 -0.603 1.00 0.00 H new ATOM 0 HH2 TRP A 55 -6.933 2.805 1.554 1.00 0.00 H new ATOM 866 N ARG A 56 1.880 4.054 -1.013 1.00 0.00 N ATOM 867 CA ARG A 56 3.020 3.380 -1.622 1.00 0.00 C ATOM 868 C ARG A 56 2.673 1.936 -1.975 1.00 0.00 C ATOM 869 O ARG A 56 2.574 1.078 -1.097 1.00 0.00 O ATOM 870 CB ARG A 56 4.223 3.410 -0.677 1.00 0.00 C ATOM 871 CG ARG A 56 5.561 3.325 -1.391 1.00 0.00 C ATOM 872 CD ARG A 56 6.722 3.417 -0.413 1.00 0.00 C ATOM 873 NE ARG A 56 8.001 3.115 -1.050 1.00 0.00 N ATOM 874 CZ ARG A 56 9.104 2.813 -0.376 1.00 0.00 C ATOM 875 NH1 ARG A 56 9.086 2.772 0.949 1.00 0.00 N ATOM 876 NH2 ARG A 56 10.230 2.549 -1.027 1.00 0.00 N ATOM 0 H ARG A 56 1.771 3.880 -0.014 1.00 0.00 H new ATOM 0 HA ARG A 56 3.275 3.910 -2.540 1.00 0.00 H new ATOM 0 HB2 ARG A 56 4.191 4.329 -0.091 1.00 0.00 H new ATOM 0 HB3 ARG A 56 4.143 2.581 0.026 1.00 0.00 H new ATOM 0 HG2 ARG A 56 5.622 2.386 -1.942 1.00 0.00 H new ATOM 0 HG3 ARG A 56 5.636 4.129 -2.123 1.00 0.00 H new ATOM 0 HD2 ARG A 56 6.758 4.419 0.014 1.00 0.00 H new ATOM 0 HD3 ARG A 56 6.556 2.725 0.412 1.00 0.00 H new ATOM 0 HE ARG A 56 8.049 3.137 -2.069 1.00 0.00 H new ATOM 0 HH11 ARG A 56 8.223 2.973 1.454 1.00 0.00 H new ATOM 0 HH12 ARG A 56 9.935 2.540 1.464 1.00 0.00 H new ATOM 0 HH21 ARG A 56 10.249 2.578 -2.046 1.00 0.00 H new ATOM 0 HH22 ARG A 56 11.077 2.317 -0.508 1.00 0.00 H new ATOM 890 N VAL A 57 2.488 1.676 -3.265 1.00 0.00 N ATOM 891 CA VAL A 57 2.152 0.337 -3.734 1.00 0.00 C ATOM 892 C VAL A 57 3.208 -0.189 -4.700 1.00 0.00 C ATOM 893 O VAL A 57 4.059 0.564 -5.173 1.00 0.00 O ATOM 894 CB VAL A 57 0.778 0.314 -4.431 1.00 0.00 C ATOM 895 CG1 VAL A 57 -0.285 0.931 -3.536 1.00 0.00 C ATOM 896 CG2 VAL A 57 0.847 1.038 -5.767 1.00 0.00 C ATOM 0 H VAL A 57 2.565 2.375 -4.004 1.00 0.00 H new ATOM 0 HA VAL A 57 2.116 -0.306 -2.854 1.00 0.00 H new ATOM 0 HB VAL A 57 0.503 -0.724 -4.619 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -1.249 0.906 -4.045 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -0.351 0.366 -2.606 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -0.019 1.964 -3.314 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -0.132 1.012 -6.246 1.00 0.00 H new ATOM 0 HG22 VAL A 57 1.144 2.074 -5.604 1.00 0.00 H new ATOM 0 HG23 VAL A 57 1.578 0.547 -6.409 1.00 0.00 H new ATOM 906 N GLN A 58 3.146 -1.485 -4.988 1.00 0.00 N ATOM 907 CA GLN A 58 4.099 -2.110 -5.898 1.00 0.00 C ATOM 908 C GLN A 58 3.377 -2.803 -7.049 1.00 0.00 C ATOM 909 O GLN A 58 2.326 -3.415 -6.857 1.00 0.00 O ATOM 910 CB GLN A 58 4.968 -3.119 -5.145 1.00 0.00 C ATOM 911 CG GLN A 58 6.194 -3.567 -5.925 1.00 0.00 C ATOM 912 CD GLN A 58 7.251 -4.196 -5.039 1.00 0.00 C ATOM 913 OE1 GLN A 58 7.051 -5.278 -4.486 1.00 0.00 O ATOM 914 NE2 GLN A 58 8.386 -3.520 -4.900 1.00 0.00 N ATOM 0 H GLN A 58 2.447 -2.122 -4.605 1.00 0.00 H new ATOM 0 HA GLN A 58 4.737 -1.328 -6.311 1.00 0.00 H new ATOM 0 HB2 GLN A 58 5.289 -2.677 -4.202 1.00 0.00 H new ATOM 0 HB3 GLN A 58 4.365 -3.993 -4.899 1.00 0.00 H new ATOM 0 HG2 GLN A 58 5.892 -4.284 -6.689 1.00 0.00 H new ATOM 0 HG3 GLN A 58 6.623 -2.710 -6.444 1.00 0.00 H new ATOM 0 HE21 GLN A 58 8.509 -2.627 -5.377 1.00 0.00 H new ATOM 0 HE22 GLN A 58 9.134 -3.894 -4.317 1.00 0.00 H new ATOM 923 N ASP A 59 3.948 -2.702 -8.244 1.00 0.00 N ATOM 924 CA ASP A 59 3.359 -3.319 -9.427 1.00 0.00 C ATOM 925 C ASP A 59 3.754 -4.790 -9.526 1.00 0.00 C ATOM 926 O ASP A 59 4.692 -5.237 -8.866 1.00 0.00 O ATOM 927 CB ASP A 59 3.798 -2.575 -10.689 1.00 0.00 C ATOM 928 CG ASP A 59 2.997 -2.984 -11.910 1.00 0.00 C ATOM 929 OD1 ASP A 59 1.844 -3.431 -11.740 1.00 0.00 O ATOM 930 OD2 ASP A 59 3.525 -2.857 -13.035 1.00 0.00 O ATOM 0 H ASP A 59 4.818 -2.199 -8.419 1.00 0.00 H new ATOM 0 HA ASP A 59 2.274 -3.257 -9.337 1.00 0.00 H new ATOM 0 HB2 ASP A 59 3.691 -1.502 -10.530 1.00 0.00 H new ATOM 0 HB3 ASP A 59 4.856 -2.766 -10.871 1.00 0.00 H new ATOM 935 N ARG A 60 3.031 -5.537 -10.354 1.00 0.00 N ATOM 936 CA ARG A 60 3.304 -6.957 -10.537 1.00 0.00 C ATOM 937 C ARG A 60 4.719 -7.175 -11.064 1.00 0.00 C ATOM 938 O ARG A 60 5.330 -8.214 -10.819 1.00 0.00 O ATOM 939 CB ARG A 60 2.289 -7.573 -11.502 1.00 0.00 C ATOM 940 CG ARG A 60 2.586 -9.021 -11.856 1.00 0.00 C ATOM 941 CD ARG A 60 1.328 -9.759 -12.286 1.00 0.00 C ATOM 942 NE ARG A 60 1.624 -10.859 -13.199 1.00 0.00 N ATOM 943 CZ ARG A 60 0.724 -11.404 -14.010 1.00 0.00 C ATOM 944 NH1 ARG A 60 -0.523 -10.951 -14.022 1.00 0.00 N ATOM 945 NH2 ARG A 60 1.069 -12.402 -14.813 1.00 0.00 N ATOM 0 H ARG A 60 2.252 -5.182 -10.909 1.00 0.00 H new ATOM 0 HA ARG A 60 3.216 -7.446 -9.567 1.00 0.00 H new ATOM 0 HB2 ARG A 60 1.295 -7.513 -11.058 1.00 0.00 H new ATOM 0 HB3 ARG A 60 2.265 -6.982 -12.417 1.00 0.00 H new ATOM 0 HG2 ARG A 60 3.322 -9.057 -12.659 1.00 0.00 H new ATOM 0 HG3 ARG A 60 3.028 -9.524 -10.996 1.00 0.00 H new ATOM 0 HD2 ARG A 60 0.816 -10.147 -11.405 1.00 0.00 H new ATOM 0 HD3 ARG A 60 0.645 -9.060 -12.770 1.00 0.00 H new ATOM 0 HE ARG A 60 2.574 -11.230 -13.215 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -0.792 -10.183 -13.408 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -1.212 -11.371 -14.646 1.00 0.00 H new ATOM 0 HH21 ARG A 60 2.027 -12.752 -14.809 1.00 0.00 H new ATOM 0 HH22 ARG A 60 0.376 -12.819 -15.435 1.00 0.00 H new ATOM 959 N ASN A 61 5.233 -6.187 -11.790 1.00 0.00 N ATOM 960 CA ASN A 61 6.576 -6.271 -12.352 1.00 0.00 C ATOM 961 C ASN A 61 7.632 -6.000 -11.285 1.00 0.00 C ATOM 962 O ASN A 61 8.598 -6.748 -11.148 1.00 0.00 O ATOM 963 CB ASN A 61 6.732 -5.277 -13.504 1.00 0.00 C ATOM 964 CG ASN A 61 6.224 -5.832 -14.821 1.00 0.00 C ATOM 965 OD1 ASN A 61 6.982 -6.417 -15.595 1.00 0.00 O ATOM 966 ND2 ASN A 61 4.934 -5.650 -15.080 1.00 0.00 N ATOM 0 H ASN A 61 4.740 -5.320 -12.003 1.00 0.00 H new ATOM 0 HA ASN A 61 6.721 -7.283 -12.731 1.00 0.00 H new ATOM 0 HB2 ASN A 61 6.190 -4.362 -13.266 1.00 0.00 H new ATOM 0 HB3 ASN A 61 7.783 -5.008 -13.608 1.00 0.00 H new ATOM 0 HD21 ASN A 61 4.534 -6.001 -15.950 1.00 0.00 H new ATOM 0 HD22 ASN A 61 4.343 -5.159 -14.409 1.00 0.00 H new ATOM 973 N GLY A 62 7.438 -4.923 -10.529 1.00 0.00 N ATOM 974 CA GLY A 62 8.380 -4.571 -9.483 1.00 0.00 C ATOM 975 C GLY A 62 8.631 -3.078 -9.406 1.00 0.00 C ATOM 976 O GLY A 62 9.743 -2.643 -9.105 1.00 0.00 O ATOM 0 H GLY A 62 6.645 -4.288 -10.623 1.00 0.00 H new ATOM 0 HA2 GLY A 62 8.000 -4.922 -8.523 1.00 0.00 H new ATOM 0 HA3 GLY A 62 9.324 -5.086 -9.660 1.00 0.00 H new ATOM 980 N HIS A 63 7.595 -2.291 -9.680 1.00 0.00 N ATOM 981 CA HIS A 63 7.709 -0.837 -9.642 1.00 0.00 C ATOM 982 C HIS A 63 6.722 -0.241 -8.643 1.00 0.00 C ATOM 983 O HIS A 63 5.533 -0.557 -8.669 1.00 0.00 O ATOM 984 CB HIS A 63 7.465 -0.249 -11.031 1.00 0.00 C ATOM 985 CG HIS A 63 7.923 -1.137 -12.147 1.00 0.00 C ATOM 986 ND1 HIS A 63 7.301 -1.181 -13.377 1.00 0.00 N ATOM 987 CD2 HIS A 63 8.948 -2.018 -12.214 1.00 0.00 C ATOM 988 CE1 HIS A 63 7.924 -2.051 -14.152 1.00 0.00 C ATOM 989 NE2 HIS A 63 8.928 -2.573 -13.469 1.00 0.00 N ATOM 0 H HIS A 63 6.668 -2.635 -9.930 1.00 0.00 H new ATOM 0 HA HIS A 63 8.720 -0.584 -9.322 1.00 0.00 H new ATOM 0 HB2 HIS A 63 6.400 -0.050 -11.150 1.00 0.00 H new ATOM 0 HB3 HIS A 63 7.979 0.709 -11.106 1.00 0.00 H new ATOM 0 HD2 HIS A 63 9.651 -2.243 -11.426 1.00 0.00 H new ATOM 0 HE1 HIS A 63 7.658 -2.294 -15.170 1.00 0.00 H new ATOM 0 HE2 HIS A 63 9.582 -3.274 -13.818 1.00 0.00 H new ATOM 998 N GLU A 64 7.224 0.621 -7.765 1.00 0.00 N ATOM 999 CA GLU A 64 6.385 1.260 -6.757 1.00 0.00 C ATOM 1000 C GLU A 64 6.552 2.776 -6.791 1.00 0.00 C ATOM 1001 O GLU A 64 7.326 3.309 -7.585 1.00 0.00 O ATOM 1002 CB GLU A 64 6.729 0.728 -5.364 1.00 0.00 C ATOM 1003 CG GLU A 64 8.208 0.438 -5.172 1.00 0.00 C ATOM 1004 CD GLU A 64 9.051 1.698 -5.145 1.00 0.00 C ATOM 1005 OE1 GLU A 64 8.742 2.603 -4.342 1.00 0.00 O ATOM 1006 OE2 GLU A 64 10.021 1.779 -5.928 1.00 0.00 O ATOM 0 H GLU A 64 8.206 0.893 -7.731 1.00 0.00 H new ATOM 0 HA GLU A 64 5.345 1.022 -6.982 1.00 0.00 H new ATOM 0 HB2 GLU A 64 6.410 1.455 -4.617 1.00 0.00 H new ATOM 0 HB3 GLU A 64 6.162 -0.185 -5.182 1.00 0.00 H new ATOM 0 HG2 GLU A 64 8.349 -0.109 -4.240 1.00 0.00 H new ATOM 0 HG3 GLU A 64 8.555 -0.210 -5.977 1.00 0.00 H new ATOM 1013 N GLY A 65 5.820 3.466 -5.921 1.00 0.00 N ATOM 1014 CA GLY A 65 5.901 4.914 -5.868 1.00 0.00 C ATOM 1015 C GLY A 65 4.709 5.536 -5.168 1.00 0.00 C ATOM 1016 O GLY A 65 3.848 4.827 -4.646 1.00 0.00 O ATOM 0 H GLY A 65 5.173 3.048 -5.252 1.00 0.00 H new ATOM 0 HA2 GLY A 65 6.815 5.205 -5.350 1.00 0.00 H new ATOM 0 HA3 GLY A 65 5.970 5.308 -6.882 1.00 0.00 H new ATOM 1020 N TYR A 66 4.659 6.863 -5.154 1.00 0.00 N ATOM 1021 CA TYR A 66 3.566 7.580 -4.508 1.00 0.00 C ATOM 1022 C TYR A 66 2.434 7.850 -5.495 1.00 0.00 C ATOM 1023 O TYR A 66 2.539 8.724 -6.355 1.00 0.00 O ATOM 1024 CB TYR A 66 4.071 8.900 -3.921 1.00 0.00 C ATOM 1025 CG TYR A 66 5.014 8.721 -2.753 1.00 0.00 C ATOM 1026 CD1 TYR A 66 4.752 7.783 -1.761 1.00 0.00 C ATOM 1027 CD2 TYR A 66 6.166 9.490 -2.640 1.00 0.00 C ATOM 1028 CE1 TYR A 66 5.611 7.617 -0.691 1.00 0.00 C ATOM 1029 CE2 TYR A 66 7.030 9.329 -1.575 1.00 0.00 C ATOM 1030 CZ TYR A 66 6.749 8.392 -0.603 1.00 0.00 C ATOM 1031 OH TYR A 66 7.607 8.229 0.461 1.00 0.00 O ATOM 0 H TYR A 66 5.363 7.464 -5.583 1.00 0.00 H new ATOM 0 HA TYR A 66 3.181 6.955 -3.702 1.00 0.00 H new ATOM 0 HB2 TYR A 66 4.578 9.466 -4.703 1.00 0.00 H new ATOM 0 HB3 TYR A 66 3.217 9.496 -3.600 1.00 0.00 H new ATOM 0 HD1 TYR A 66 3.863 7.174 -1.828 1.00 0.00 H new ATOM 0 HD2 TYR A 66 6.389 10.226 -3.398 1.00 0.00 H new ATOM 0 HE1 TYR A 66 5.393 6.885 0.072 1.00 0.00 H new ATOM 0 HE2 TYR A 66 7.922 9.934 -1.504 1.00 0.00 H new ATOM 0 HH TYR A 66 8.360 8.850 0.372 1.00 0.00 H new ATOM 1041 N VAL A 67 1.350 7.092 -5.363 1.00 0.00 N ATOM 1042 CA VAL A 67 0.196 7.249 -6.240 1.00 0.00 C ATOM 1043 C VAL A 67 -1.010 7.779 -5.472 1.00 0.00 C ATOM 1044 O VAL A 67 -1.146 7.579 -4.265 1.00 0.00 O ATOM 1045 CB VAL A 67 -0.183 5.916 -6.913 1.00 0.00 C ATOM 1046 CG1 VAL A 67 0.785 5.593 -8.041 1.00 0.00 C ATOM 1047 CG2 VAL A 67 -0.213 4.792 -5.888 1.00 0.00 C ATOM 0 H VAL A 67 1.247 6.363 -4.657 1.00 0.00 H new ATOM 0 HA VAL A 67 0.478 7.968 -7.009 1.00 0.00 H new ATOM 0 HB VAL A 67 -1.181 6.015 -7.340 1.00 0.00 H new ATOM 0 HG11 VAL A 67 0.501 4.648 -8.504 1.00 0.00 H new ATOM 0 HG12 VAL A 67 0.753 6.387 -8.787 1.00 0.00 H new ATOM 0 HG13 VAL A 67 1.796 5.512 -7.641 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -0.482 3.858 -6.380 1.00 0.00 H new ATOM 0 HG22 VAL A 67 0.771 4.690 -5.430 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -0.949 5.022 -5.118 1.00 0.00 H new ATOM 1057 N PRO A 68 -1.908 8.472 -6.188 1.00 0.00 N ATOM 1058 CA PRO A 68 -3.120 9.045 -5.594 1.00 0.00 C ATOM 1059 C PRO A 68 -4.126 7.975 -5.184 1.00 0.00 C ATOM 1060 O PRO A 68 -4.782 7.368 -6.031 1.00 0.00 O ATOM 1061 CB PRO A 68 -3.691 9.911 -6.720 1.00 0.00 C ATOM 1062 CG PRO A 68 -3.168 9.297 -7.973 1.00 0.00 C ATOM 1063 CD PRO A 68 -1.811 8.749 -7.631 1.00 0.00 C ATOM 0 HA PRO A 68 -2.904 9.598 -4.680 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -4.781 9.912 -6.705 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -3.370 10.948 -6.623 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -3.830 8.507 -8.326 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -3.100 10.036 -8.771 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -1.588 7.846 -8.199 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -1.021 9.467 -7.850 1.00 0.00 H new ATOM 1071 N SER A 69 -4.243 7.748 -3.880 1.00 0.00 N ATOM 1072 CA SER A 69 -5.168 6.748 -3.357 1.00 0.00 C ATOM 1073 C SER A 69 -6.477 6.757 -4.141 1.00 0.00 C ATOM 1074 O SER A 69 -7.095 5.713 -4.349 1.00 0.00 O ATOM 1075 CB SER A 69 -5.446 7.005 -1.875 1.00 0.00 C ATOM 1076 OG SER A 69 -6.392 8.046 -1.707 1.00 0.00 O ATOM 0 H SER A 69 -3.709 8.243 -3.166 1.00 0.00 H new ATOM 0 HA SER A 69 -4.705 5.767 -3.467 1.00 0.00 H new ATOM 0 HB2 SER A 69 -5.817 6.093 -1.408 1.00 0.00 H new ATOM 0 HB3 SER A 69 -4.518 7.268 -1.368 1.00 0.00 H new ATOM 0 HG SER A 69 -6.554 8.190 -0.751 1.00 0.00 H new ATOM 1082 N SER A 70 -6.893 7.943 -4.573 1.00 0.00 N ATOM 1083 CA SER A 70 -8.130 8.090 -5.330 1.00 0.00 C ATOM 1084 C SER A 70 -8.245 7.007 -6.399 1.00 0.00 C ATOM 1085 O SER A 70 -9.296 6.386 -6.559 1.00 0.00 O ATOM 1086 CB SER A 70 -8.193 9.473 -5.982 1.00 0.00 C ATOM 1087 OG SER A 70 -8.169 10.498 -5.004 1.00 0.00 O ATOM 0 H SER A 70 -6.391 8.816 -4.412 1.00 0.00 H new ATOM 0 HA SER A 70 -8.965 7.984 -4.637 1.00 0.00 H new ATOM 0 HB2 SER A 70 -7.351 9.596 -6.663 1.00 0.00 H new ATOM 0 HB3 SER A 70 -9.101 9.556 -6.579 1.00 0.00 H new ATOM 0 HG SER A 70 -8.208 11.372 -5.445 1.00 0.00 H new ATOM 1093 N TYR A 71 -7.156 6.785 -7.127 1.00 0.00 N ATOM 1094 CA TYR A 71 -7.134 5.779 -8.181 1.00 0.00 C ATOM 1095 C TYR A 71 -7.186 4.372 -7.594 1.00 0.00 C ATOM 1096 O TYR A 71 -7.902 3.503 -8.094 1.00 0.00 O ATOM 1097 CB TYR A 71 -5.879 5.938 -9.041 1.00 0.00 C ATOM 1098 CG TYR A 71 -5.959 7.084 -10.024 1.00 0.00 C ATOM 1099 CD1 TYR A 71 -6.424 8.333 -9.628 1.00 0.00 C ATOM 1100 CD2 TYR A 71 -5.571 6.919 -11.347 1.00 0.00 C ATOM 1101 CE1 TYR A 71 -6.500 9.383 -10.523 1.00 0.00 C ATOM 1102 CE2 TYR A 71 -5.642 7.964 -12.248 1.00 0.00 C ATOM 1103 CZ TYR A 71 -6.108 9.194 -11.831 1.00 0.00 C ATOM 1104 OH TYR A 71 -6.181 10.236 -12.726 1.00 0.00 O ATOM 0 H TYR A 71 -6.277 7.289 -7.006 1.00 0.00 H new ATOM 0 HA TYR A 71 -8.016 5.925 -8.805 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -5.019 6.089 -8.389 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -5.705 5.012 -9.589 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -6.731 8.485 -8.604 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -5.207 5.957 -11.677 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -6.865 10.347 -10.199 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -5.334 7.819 -13.273 1.00 0.00 H new ATOM 0 HH TYR A 71 -5.866 9.936 -13.604 1.00 0.00 H new ATOM 1114 N LEU A 72 -6.424 4.155 -6.528 1.00 0.00 N ATOM 1115 CA LEU A 72 -6.382 2.854 -5.869 1.00 0.00 C ATOM 1116 C LEU A 72 -7.691 2.571 -5.140 1.00 0.00 C ATOM 1117 O LEU A 72 -8.285 3.466 -4.538 1.00 0.00 O ATOM 1118 CB LEU A 72 -5.213 2.796 -4.884 1.00 0.00 C ATOM 1119 CG LEU A 72 -3.815 2.775 -5.503 1.00 0.00 C ATOM 1120 CD1 LEU A 72 -2.752 2.705 -4.417 1.00 0.00 C ATOM 1121 CD2 LEU A 72 -3.675 1.604 -6.465 1.00 0.00 C ATOM 0 H LEU A 72 -5.827 4.863 -6.101 1.00 0.00 H new ATOM 0 HA LEU A 72 -6.241 2.091 -6.635 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -5.281 3.657 -4.219 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -5.328 1.906 -4.266 1.00 0.00 H new ATOM 0 HG LEU A 72 -3.673 3.699 -6.064 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -1.763 2.691 -4.876 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -2.838 3.576 -3.767 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -2.892 1.798 -3.829 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -2.674 1.605 -6.896 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -3.838 0.670 -5.927 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -4.413 1.697 -7.262 1.00 0.00 H new ATOM 1133 N VAL A 73 -8.135 1.319 -5.195 1.00 0.00 N ATOM 1134 CA VAL A 73 -9.372 0.917 -4.537 1.00 0.00 C ATOM 1135 C VAL A 73 -9.216 -0.437 -3.853 1.00 0.00 C ATOM 1136 O VAL A 73 -8.710 -1.388 -4.447 1.00 0.00 O ATOM 1137 CB VAL A 73 -10.542 0.842 -5.537 1.00 0.00 C ATOM 1138 CG1 VAL A 73 -10.473 1.995 -6.526 1.00 0.00 C ATOM 1139 CG2 VAL A 73 -10.537 -0.495 -6.263 1.00 0.00 C ATOM 0 H VAL A 73 -7.656 0.566 -5.689 1.00 0.00 H new ATOM 0 HA VAL A 73 -9.592 1.677 -3.787 1.00 0.00 H new ATOM 0 HB VAL A 73 -11.477 0.925 -4.983 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -11.307 1.926 -7.224 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -10.529 2.941 -5.987 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -9.534 1.946 -7.077 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -11.370 -0.531 -6.965 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -9.599 -0.611 -6.806 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -10.638 -1.303 -5.538 1.00 0.00 H new ATOM 1149 N GLU A 74 -9.654 -0.515 -2.600 1.00 0.00 N ATOM 1150 CA GLU A 74 -9.562 -1.753 -1.835 1.00 0.00 C ATOM 1151 C GLU A 74 -10.453 -2.834 -2.441 1.00 0.00 C ATOM 1152 O GLU A 74 -11.679 -2.764 -2.356 1.00 0.00 O ATOM 1153 CB GLU A 74 -9.958 -1.508 -0.378 1.00 0.00 C ATOM 1154 CG GLU A 74 -9.322 -2.485 0.598 1.00 0.00 C ATOM 1155 CD GLU A 74 -10.187 -2.739 1.817 1.00 0.00 C ATOM 1156 OE1 GLU A 74 -10.787 -1.771 2.329 1.00 0.00 O ATOM 1157 OE2 GLU A 74 -10.264 -3.904 2.258 1.00 0.00 O ATOM 0 H GLU A 74 -10.076 0.264 -2.094 1.00 0.00 H new ATOM 0 HA GLU A 74 -8.528 -2.097 -1.870 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -9.675 -0.493 -0.099 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -11.042 -1.573 -0.289 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -9.132 -3.430 0.089 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -8.355 -2.096 0.918 1.00 0.00 H new ATOM 1164 N LYS A 75 -9.827 -3.834 -3.053 1.00 0.00 N ATOM 1165 CA LYS A 75 -10.560 -4.931 -3.672 1.00 0.00 C ATOM 1166 C LYS A 75 -11.628 -5.475 -2.728 1.00 0.00 C ATOM 1167 O LYS A 75 -11.325 -6.225 -1.800 1.00 0.00 O ATOM 1168 CB LYS A 75 -9.599 -6.053 -4.072 1.00 0.00 C ATOM 1169 CG LYS A 75 -10.298 -7.292 -4.605 1.00 0.00 C ATOM 1170 CD LYS A 75 -10.491 -7.219 -6.111 1.00 0.00 C ATOM 1171 CE LYS A 75 -10.813 -8.584 -6.698 1.00 0.00 C ATOM 1172 NZ LYS A 75 -12.240 -8.955 -6.489 1.00 0.00 N ATOM 0 H LYS A 75 -8.813 -3.907 -3.133 1.00 0.00 H new ATOM 0 HA LYS A 75 -11.052 -4.546 -4.565 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -8.913 -5.678 -4.831 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -8.997 -6.330 -3.207 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -9.713 -8.177 -4.355 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -11.267 -7.402 -4.118 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -11.297 -6.523 -6.342 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -9.587 -6.826 -6.576 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -10.591 -8.582 -7.765 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -10.171 -9.337 -6.240 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -12.419 -9.892 -6.903 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -12.446 -8.982 -5.470 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -12.853 -8.251 -6.948 1.00 0.00 H new ATOM 1186 N SER A 76 -12.877 -5.093 -2.971 1.00 0.00 N ATOM 1187 CA SER A 76 -13.989 -5.540 -2.140 1.00 0.00 C ATOM 1188 C SER A 76 -14.086 -7.062 -2.137 1.00 0.00 C ATOM 1189 O SER A 76 -13.831 -7.729 -3.140 1.00 0.00 O ATOM 1190 CB SER A 76 -15.302 -4.935 -2.640 1.00 0.00 C ATOM 1191 OG SER A 76 -15.355 -3.543 -2.378 1.00 0.00 O ATOM 0 H SER A 76 -13.145 -4.475 -3.737 1.00 0.00 H new ATOM 0 HA SER A 76 -13.807 -5.202 -1.120 1.00 0.00 H new ATOM 0 HB2 SER A 76 -15.402 -5.111 -3.711 1.00 0.00 H new ATOM 0 HB3 SER A 76 -16.143 -5.432 -2.155 1.00 0.00 H new ATOM 0 HG SER A 76 -16.203 -3.180 -2.709 1.00 0.00 H new ATOM 1197 N PRO A 77 -14.465 -7.628 -0.981 1.00 0.00 N ATOM 1198 CA PRO A 77 -14.606 -9.078 -0.818 1.00 0.00 C ATOM 1199 C PRO A 77 -15.794 -9.636 -1.594 1.00 0.00 C ATOM 1200 O PRO A 77 -15.831 -10.820 -1.924 1.00 0.00 O ATOM 1201 CB PRO A 77 -14.824 -9.246 0.688 1.00 0.00 C ATOM 1202 CG PRO A 77 -15.403 -7.947 1.134 1.00 0.00 C ATOM 1203 CD PRO A 77 -14.786 -6.895 0.255 1.00 0.00 C ATOM 0 HA PRO A 77 -13.739 -9.617 -1.200 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -15.500 -10.074 0.900 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -13.887 -9.459 1.202 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -16.489 -7.950 1.036 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -15.178 -7.759 2.184 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -15.477 -6.073 0.067 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -13.894 -6.464 0.710 1.00 0.00 H new ATOM 1211 N ASN A 78 -16.765 -8.774 -1.881 1.00 0.00 N ATOM 1212 CA ASN A 78 -17.955 -9.182 -2.619 1.00 0.00 C ATOM 1213 C ASN A 78 -18.096 -8.382 -3.910 1.00 0.00 C ATOM 1214 O ASN A 78 -18.374 -7.184 -3.882 1.00 0.00 O ATOM 1215 CB ASN A 78 -19.204 -9.000 -1.754 1.00 0.00 C ATOM 1216 CG ASN A 78 -20.470 -8.890 -2.581 1.00 0.00 C ATOM 1217 OD1 ASN A 78 -20.743 -7.851 -3.182 1.00 0.00 O ATOM 1218 ND2 ASN A 78 -21.249 -9.964 -2.616 1.00 0.00 N ATOM 0 H ASN A 78 -16.751 -7.790 -1.614 1.00 0.00 H new ATOM 0 HA ASN A 78 -17.849 -10.236 -2.876 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -19.293 -9.843 -1.068 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -19.093 -8.103 -1.144 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -22.114 -9.949 -3.157 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -20.983 -10.804 -2.102 1.00 0.00 H new ATOM 1225 N ASN A 79 -17.902 -9.053 -5.040 1.00 0.00 N ATOM 1226 CA ASN A 79 -18.007 -8.405 -6.342 1.00 0.00 C ATOM 1227 C ASN A 79 -19.367 -7.734 -6.507 1.00 0.00 C ATOM 1228 O ASN A 79 -20.359 -8.161 -5.915 1.00 0.00 O ATOM 1229 CB ASN A 79 -17.790 -9.425 -7.462 1.00 0.00 C ATOM 1230 CG ASN A 79 -16.340 -9.850 -7.584 1.00 0.00 C ATOM 1231 OD1 ASN A 79 -15.978 -10.972 -7.230 1.00 0.00 O ATOM 1232 ND2 ASN A 79 -15.501 -8.952 -8.087 1.00 0.00 N ATOM 0 H ASN A 79 -17.671 -10.046 -5.081 1.00 0.00 H new ATOM 0 HA ASN A 79 -17.234 -7.639 -6.402 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -18.409 -10.303 -7.275 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -18.121 -8.997 -8.408 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -14.513 -9.181 -8.193 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -15.845 -8.034 -8.368 1.00 0.00 H new ATOM 1239 N LEU A 80 -19.407 -6.681 -7.316 1.00 0.00 N ATOM 1240 CA LEU A 80 -20.645 -5.949 -7.560 1.00 0.00 C ATOM 1241 C LEU A 80 -21.347 -6.469 -8.811 1.00 0.00 C ATOM 1242 O LEU A 80 -21.593 -5.717 -9.753 1.00 0.00 O ATOM 1243 CB LEU A 80 -20.357 -4.454 -7.707 1.00 0.00 C ATOM 1244 CG LEU A 80 -19.691 -3.778 -6.508 1.00 0.00 C ATOM 1245 CD1 LEU A 80 -18.909 -2.552 -6.954 1.00 0.00 C ATOM 1246 CD2 LEU A 80 -20.732 -3.398 -5.465 1.00 0.00 C ATOM 0 H LEU A 80 -18.596 -6.315 -7.814 1.00 0.00 H new ATOM 0 HA LEU A 80 -21.304 -6.103 -6.705 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -19.720 -4.311 -8.580 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -21.297 -3.942 -7.912 1.00 0.00 H new ATOM 0 HG LEU A 80 -18.994 -4.484 -6.057 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -18.442 -2.084 -6.088 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -18.138 -2.851 -7.665 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -19.586 -1.842 -7.430 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -20.241 -2.918 -4.619 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -21.453 -2.709 -5.905 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -21.249 -4.295 -5.124 1.00 0.00 H new ATOM 1258 N GLU A 81 -21.668 -7.759 -8.810 1.00 0.00 N ATOM 1259 CA GLU A 81 -22.343 -8.379 -9.945 1.00 0.00 C ATOM 1260 C GLU A 81 -23.851 -8.159 -9.866 1.00 0.00 C ATOM 1261 O GLU A 81 -24.596 -9.038 -9.432 1.00 0.00 O ATOM 1262 CB GLU A 81 -22.036 -9.877 -9.993 1.00 0.00 C ATOM 1263 CG GLU A 81 -20.796 -10.218 -10.803 1.00 0.00 C ATOM 1264 CD GLU A 81 -20.681 -11.702 -11.096 1.00 0.00 C ATOM 1265 OE1 GLU A 81 -20.300 -12.459 -10.179 1.00 0.00 O ATOM 1266 OE2 GLU A 81 -20.972 -12.105 -12.242 1.00 0.00 O ATOM 0 H GLU A 81 -21.472 -8.395 -8.037 1.00 0.00 H new ATOM 0 HA GLU A 81 -21.972 -7.911 -10.857 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -21.908 -10.246 -8.975 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -22.892 -10.402 -10.417 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -20.817 -9.666 -11.743 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -19.910 -9.889 -10.260 1.00 0.00 H new ATOM 1273 N THR A 82 -24.294 -6.979 -10.289 1.00 0.00 N ATOM 1274 CA THR A 82 -25.712 -6.642 -10.266 1.00 0.00 C ATOM 1275 C THR A 82 -25.979 -5.338 -11.009 1.00 0.00 C ATOM 1276 O THR A 82 -25.116 -4.463 -11.077 1.00 0.00 O ATOM 1277 CB THR A 82 -26.235 -6.515 -8.823 1.00 0.00 C ATOM 1278 OG1 THR A 82 -27.639 -6.230 -8.834 1.00 0.00 O ATOM 1279 CG2 THR A 82 -25.496 -5.416 -8.074 1.00 0.00 C ATOM 0 H THR A 82 -23.691 -6.241 -10.652 1.00 0.00 H new ATOM 0 HA THR A 82 -26.239 -7.455 -10.765 1.00 0.00 H new ATOM 0 HB THR A 82 -26.060 -7.462 -8.312 1.00 0.00 H new ATOM 0 HG1 THR A 82 -27.964 -6.152 -7.913 1.00 0.00 H new ATOM 0 HG21 THR A 82 -25.883 -5.345 -7.057 1.00 0.00 H new ATOM 0 HG22 THR A 82 -24.432 -5.650 -8.042 1.00 0.00 H new ATOM 0 HG23 THR A 82 -25.643 -4.465 -8.585 1.00 0.00 H new ATOM 1287 N TYR A 83 -27.180 -5.215 -11.563 1.00 0.00 N ATOM 1288 CA TYR A 83 -27.561 -4.017 -12.302 1.00 0.00 C ATOM 1289 C TYR A 83 -27.496 -2.782 -11.409 1.00 0.00 C ATOM 1290 O TYR A 83 -28.170 -2.709 -10.383 1.00 0.00 O ATOM 1291 CB TYR A 83 -28.971 -4.172 -12.875 1.00 0.00 C ATOM 1292 CG TYR A 83 -29.015 -4.948 -14.172 1.00 0.00 C ATOM 1293 CD1 TYR A 83 -29.001 -6.337 -14.175 1.00 0.00 C ATOM 1294 CD2 TYR A 83 -29.071 -4.291 -15.395 1.00 0.00 C ATOM 1295 CE1 TYR A 83 -29.041 -7.050 -15.357 1.00 0.00 C ATOM 1296 CE2 TYR A 83 -29.112 -4.996 -16.583 1.00 0.00 C ATOM 1297 CZ TYR A 83 -29.097 -6.375 -16.559 1.00 0.00 C ATOM 1298 OH TYR A 83 -29.137 -7.081 -17.739 1.00 0.00 O ATOM 0 H TYR A 83 -27.906 -5.930 -11.514 1.00 0.00 H new ATOM 0 HA TYR A 83 -26.855 -3.888 -13.122 1.00 0.00 H new ATOM 0 HB2 TYR A 83 -29.600 -4.674 -12.140 1.00 0.00 H new ATOM 0 HB3 TYR A 83 -29.399 -3.183 -13.038 1.00 0.00 H new ATOM 0 HD1 TYR A 83 -28.958 -6.869 -13.236 1.00 0.00 H new ATOM 0 HD2 TYR A 83 -29.083 -3.211 -15.418 1.00 0.00 H new ATOM 0 HE1 TYR A 83 -29.029 -8.130 -15.341 1.00 0.00 H new ATOM 0 HE2 TYR A 83 -29.156 -4.470 -17.525 1.00 0.00 H new ATOM 0 HH TYR A 83 -29.175 -6.456 -18.493 1.00 0.00 H new ATOM 1308 N GLU A 84 -26.679 -1.812 -11.810 1.00 0.00 N ATOM 1309 CA GLU A 84 -26.526 -0.579 -11.046 1.00 0.00 C ATOM 1310 C GLU A 84 -26.813 0.640 -11.918 1.00 0.00 C ATOM 1311 O GLU A 84 -25.948 1.102 -12.661 1.00 0.00 O ATOM 1312 CB GLU A 84 -25.113 -0.484 -10.467 1.00 0.00 C ATOM 1313 CG GLU A 84 -24.888 -1.380 -9.260 1.00 0.00 C ATOM 1314 CD GLU A 84 -25.447 -0.787 -7.982 1.00 0.00 C ATOM 1315 OE1 GLU A 84 -24.751 0.044 -7.361 1.00 0.00 O ATOM 1316 OE2 GLU A 84 -26.578 -1.154 -7.601 1.00 0.00 O ATOM 0 H GLU A 84 -26.114 -1.856 -12.658 1.00 0.00 H new ATOM 0 HA GLU A 84 -27.246 -0.597 -10.228 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -24.393 -0.746 -11.243 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -24.914 0.550 -10.184 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -25.353 -2.349 -9.440 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -23.819 -1.557 -9.137 1.00 0.00 H new ATOM 1323 N TRP A 85 -28.033 1.155 -11.820 1.00 0.00 N ATOM 1324 CA TRP A 85 -28.436 2.320 -12.600 1.00 0.00 C ATOM 1325 C TRP A 85 -28.724 3.510 -11.691 1.00 0.00 C ATOM 1326 O TRP A 85 -28.036 4.529 -11.749 1.00 0.00 O ATOM 1327 CB TRP A 85 -29.671 1.994 -13.441 1.00 0.00 C ATOM 1328 CG TRP A 85 -30.962 2.252 -12.726 1.00 0.00 C ATOM 1329 CD1 TRP A 85 -31.637 1.383 -11.916 1.00 0.00 C ATOM 1330 CD2 TRP A 85 -31.734 3.457 -12.757 1.00 0.00 C ATOM 1331 NE1 TRP A 85 -32.783 1.977 -11.442 1.00 0.00 N ATOM 1332 CE2 TRP A 85 -32.864 3.249 -11.942 1.00 0.00 C ATOM 1333 CE3 TRP A 85 -31.579 4.692 -13.392 1.00 0.00 C ATOM 1334 CZ2 TRP A 85 -33.833 4.231 -11.749 1.00 0.00 C ATOM 1335 CZ3 TRP A 85 -32.542 5.665 -13.199 1.00 0.00 C ATOM 1336 CH2 TRP A 85 -33.656 5.430 -12.383 1.00 0.00 C ATOM 0 H TRP A 85 -28.760 0.785 -11.208 1.00 0.00 H new ATOM 0 HA TRP A 85 -27.613 2.584 -13.264 1.00 0.00 H new ATOM 0 HB2 TRP A 85 -29.646 2.587 -14.355 1.00 0.00 H new ATOM 0 HB3 TRP A 85 -29.632 0.946 -13.739 1.00 0.00 H new ATOM 0 HD1 TRP A 85 -31.318 0.378 -11.683 1.00 0.00 H new ATOM 0 HE1 TRP A 85 -33.463 1.541 -10.819 1.00 0.00 H new ATOM 0 HE3 TRP A 85 -30.723 4.883 -14.022 1.00 0.00 H new ATOM 0 HZ2 TRP A 85 -34.693 4.052 -11.121 1.00 0.00 H new ATOM 0 HZ3 TRP A 85 -32.433 6.623 -13.686 1.00 0.00 H new ATOM 0 HH2 TRP A 85 -34.390 6.211 -12.252 1.00 0.00 H new TER 1347 TRP A 85