USER MOD reduce.3.24.130724 H: found=0, std=0, add=612, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 611 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 44 GLN : amide:sc= -0.784 K(o=-0.48,f=-1.7) USER MOD Set 1.2: A 47 GLN : amide:sc= 0.304 X(o=-0.48,f=-0.78) USER MOD Set 2.1: A 8 CYS SG : rot 10:sc= 0.382 USER MOD Set 2.2: A 36 SER OG : rot -64:sc= 1.16 USER MOD Single : A 5 THR OG1 : rot 29:sc= 0.386 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 GLN :FLIP amide:sc= -0.286 F(o=-1.4,f=-0.29) USER MOD Single : A 18 GLN :FLIP amide:sc= -1.89! C(o=-3.3!,f=-1.9!) USER MOD Single : A 21 GLN : amide:sc= -2.83! C(o=-2.8!,f=-3.3!) USER MOD Single : A 23 TYR OH : rot 82:sc= 0.0118 USER MOD Single : A 29 LYS NZ :NH3+ -117:sc= -0.177 (180deg=-0.865) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 ASN : amide:sc= -2.03 K(o=-2,f=-5.3!) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 GLN : amide:sc= -0.566 K(o=-0.57,f=-2.4!) USER MOD Single : A 45 HIS : no HD1:sc= -0.0901 X(o=-0.09,f=0) USER MOD Single : A 46 LYS NZ :NH3+ 164:sc= 0.157 (180deg=0.101) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 MET CE :methyl -167:sc= 0 (180deg=-0.167) USER MOD Single : A 52 ASN : amide:sc= -0.102 K(o=-0.1,f=-1.7!) USER MOD Single : A 54 LYS NZ :NH3+ 151:sc= -0.122 (180deg=-1.35) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 ASN : amide:sc= -0.0127 X(o=-0.013,f=-0.19) USER MOD Single : A 58 MET CE :methyl -163:sc= -12.2! (180deg=-12.8!) USER MOD Single : A 59 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 60 ASN : amide:sc= -0.0162 X(o=-0.016,f=-0.15) USER MOD Single : A 63 HIS : no HD1:sc= -2.06! C(o=-2.1!,f=-7.8!) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 GLN : amide:sc= -0.266 X(o=-0.27,f=0) USER MOD Single : A 71 MET CE :methyl -150:sc= -13.1! (180deg=-13.2!) USER MOD Single : A 73 ASN : amide:sc= -0.275 K(o=-0.28,f=-2.5!) USER MOD ----------------------------------------------------------------- ATOM 62 N THR A 5 -8.576 -18.586 40.951 1.00 61.43 N ATOM 63 CA THR A 5 -9.048 -18.923 39.614 1.00 75.42 C ATOM 64 C THR A 5 -10.491 -18.471 39.415 1.00 53.15 C ATOM 65 O THR A 5 -11.419 -19.056 39.975 1.00 32.22 O ATOM 66 CB THR A 5 -8.935 -20.431 39.378 1.00 2.14 C ATOM 67 OG1 THR A 5 -7.736 -20.937 39.935 1.00 3.05 O ATOM 68 CG2 THR A 5 -8.956 -20.812 37.914 1.00 34.41 C ATOM 0 HA THR A 5 -8.422 -18.400 38.891 1.00 75.42 H new ATOM 0 HB THR A 5 -9.810 -20.864 39.862 1.00 2.14 H new ATOM 0 HG1 THR A 5 -7.475 -20.388 40.704 1.00 3.05 H new ATOM 0 HG21 THR A 5 -8.872 -21.895 37.819 1.00 34.41 H new ATOM 0 HG22 THR A 5 -9.892 -20.479 37.465 1.00 34.41 H new ATOM 0 HG23 THR A 5 -8.119 -20.337 37.402 1.00 34.41 H new ATOM 76 N ILE A 6 -10.668 -17.422 38.621 1.00 1.53 N ATOM 77 CA ILE A 6 -11.994 -16.884 38.348 1.00 33.41 C ATOM 78 C ILE A 6 -12.697 -17.670 37.247 1.00 11.10 C ATOM 79 O ILE A 6 -12.177 -18.668 36.751 1.00 72.21 O ATOM 80 CB ILE A 6 -11.919 -15.398 37.937 1.00 12.34 C ATOM 81 CG1 ILE A 6 -11.232 -15.243 36.574 1.00 14.45 C ATOM 82 CG2 ILE A 6 -11.181 -14.596 38.998 1.00 42.42 C ATOM 83 CD1 ILE A 6 -11.551 -13.937 35.883 1.00 23.21 C ATOM 0 H ILE A 6 -9.908 -16.927 38.154 1.00 1.53 H new ATOM 0 HA ILE A 6 -12.567 -16.974 39.271 1.00 33.41 H new ATOM 0 HB ILE A 6 -12.935 -15.014 37.850 1.00 12.34 H new ATOM 0 HG12 ILE A 6 -10.153 -15.319 36.709 1.00 14.45 H new ATOM 0 HG13 ILE A 6 -11.532 -16.069 35.929 1.00 14.45 H new ATOM 0 HG21 ILE A 6 -11.135 -13.550 38.696 1.00 42.42 H new ATOM 0 HG22 ILE A 6 -11.709 -14.677 39.948 1.00 42.42 H new ATOM 0 HG23 ILE A 6 -10.169 -14.986 39.111 1.00 42.42 H new ATOM 0 HD11 ILE A 6 -11.032 -13.896 34.926 1.00 23.21 H new ATOM 0 HD12 ILE A 6 -12.626 -13.867 35.716 1.00 23.21 H new ATOM 0 HD13 ILE A 6 -11.226 -13.106 36.508 1.00 23.21 H new ATOM 95 N PHE A 7 -13.876 -17.199 36.859 1.00 13.34 N ATOM 96 CA PHE A 7 -14.647 -17.840 35.803 1.00 50.22 C ATOM 97 C PHE A 7 -14.891 -16.860 34.664 1.00 42.14 C ATOM 98 O PHE A 7 -15.770 -16.002 34.748 1.00 72.41 O ATOM 99 CB PHE A 7 -15.979 -18.360 36.345 1.00 50.24 C ATOM 100 CG PHE A 7 -16.566 -19.466 35.517 1.00 70.43 C ATOM 101 CD1 PHE A 7 -15.992 -20.729 35.518 1.00 13.11 C ATOM 102 CD2 PHE A 7 -17.686 -19.244 34.732 1.00 40.51 C ATOM 103 CE1 PHE A 7 -16.527 -21.748 34.755 1.00 14.44 C ATOM 104 CE2 PHE A 7 -18.225 -20.261 33.967 1.00 31.12 C ATOM 105 CZ PHE A 7 -17.644 -21.514 33.978 1.00 21.53 C ATOM 0 H PHE A 7 -14.319 -16.373 37.262 1.00 13.34 H new ATOM 0 HA PHE A 7 -14.075 -18.688 35.425 1.00 50.22 H new ATOM 0 HB2 PHE A 7 -15.834 -18.717 37.365 1.00 50.24 H new ATOM 0 HB3 PHE A 7 -16.690 -17.535 36.394 1.00 50.24 H new ATOM 0 HD1 PHE A 7 -15.117 -20.917 36.122 1.00 13.11 H new ATOM 0 HD2 PHE A 7 -18.143 -18.265 34.718 1.00 40.51 H new ATOM 0 HE1 PHE A 7 -16.072 -22.727 34.766 1.00 14.44 H new ATOM 0 HE2 PHE A 7 -19.100 -20.076 33.361 1.00 31.12 H new ATOM 0 HZ PHE A 7 -18.063 -22.310 33.380 1.00 21.53 H new ATOM 115 N CYS A 8 -14.105 -16.986 33.597 1.00 31.32 N ATOM 116 CA CYS A 8 -14.239 -16.104 32.448 1.00 54.41 C ATOM 117 C CYS A 8 -15.639 -16.202 31.851 1.00 65.22 C ATOM 118 O CYS A 8 -16.242 -17.276 31.837 1.00 34.32 O ATOM 119 CB CYS A 8 -13.193 -16.454 31.386 1.00 24.25 C ATOM 120 SG CYS A 8 -13.086 -15.260 30.033 1.00 51.15 S ATOM 0 H CYS A 8 -13.372 -17.689 33.507 1.00 31.32 H new ATOM 0 HA CYS A 8 -14.076 -15.080 32.784 1.00 54.41 H new ATOM 0 HB2 CYS A 8 -12.217 -16.533 31.865 1.00 24.25 H new ATOM 0 HB3 CYS A 8 -13.425 -17.435 30.973 1.00 24.25 H new ATOM 0 HG CYS A 8 -13.787 -14.206 30.328 1.00 51.15 H new ATOM 126 N THR A 9 -16.155 -15.081 31.357 1.00 52.25 N ATOM 127 CA THR A 9 -17.486 -15.058 30.763 1.00 12.21 C ATOM 128 C THR A 9 -17.412 -15.179 29.242 1.00 43.22 C ATOM 129 O THR A 9 -18.358 -15.640 28.603 1.00 73.23 O ATOM 130 CB THR A 9 -18.225 -13.778 31.159 1.00 25.02 C ATOM 131 OG1 THR A 9 -19.572 -13.825 30.723 1.00 2.15 O ATOM 132 CG2 THR A 9 -17.601 -12.525 30.591 1.00 1.45 C ATOM 0 H THR A 9 -15.674 -14.181 31.356 1.00 52.25 H new ATOM 0 HA THR A 9 -18.040 -15.916 31.144 1.00 12.21 H new ATOM 0 HB THR A 9 -18.162 -13.732 32.246 1.00 25.02 H new ATOM 0 HG1 THR A 9 -20.030 -12.999 30.986 1.00 2.15 H new ATOM 0 HG21 THR A 9 -18.175 -11.655 30.911 1.00 1.45 H new ATOM 0 HG22 THR A 9 -16.575 -12.435 30.949 1.00 1.45 H new ATOM 0 HG23 THR A 9 -17.602 -12.580 29.502 1.00 1.45 H new ATOM 140 N PHE A 10 -16.281 -14.774 28.668 1.00 65.32 N ATOM 141 CA PHE A 10 -16.093 -14.854 27.223 1.00 62.40 C ATOM 142 C PHE A 10 -15.849 -16.298 26.805 1.00 73.04 C ATOM 143 O PHE A 10 -16.398 -16.772 25.811 1.00 1.33 O ATOM 144 CB PHE A 10 -14.918 -13.974 26.783 1.00 25.33 C ATOM 145 CG PHE A 10 -14.593 -14.092 25.319 1.00 64.10 C ATOM 146 CD1 PHE A 10 -15.512 -13.700 24.359 1.00 61.21 C ATOM 147 CD2 PHE A 10 -13.371 -14.599 24.903 1.00 62.10 C ATOM 148 CE1 PHE A 10 -15.220 -13.810 23.012 1.00 51.44 C ATOM 149 CE2 PHE A 10 -13.073 -14.711 23.559 1.00 3.30 C ATOM 150 CZ PHE A 10 -13.999 -14.316 22.612 1.00 24.22 C ATOM 0 H PHE A 10 -15.486 -14.390 29.178 1.00 65.32 H new ATOM 0 HA PHE A 10 -16.999 -14.492 26.737 1.00 62.40 H new ATOM 0 HB2 PHE A 10 -15.148 -12.934 27.013 1.00 25.33 H new ATOM 0 HB3 PHE A 10 -14.036 -14.242 27.365 1.00 25.33 H new ATOM 0 HD1 PHE A 10 -16.468 -13.304 24.667 1.00 61.21 H new ATOM 0 HD2 PHE A 10 -12.644 -14.910 25.639 1.00 62.10 H new ATOM 0 HE1 PHE A 10 -15.945 -13.501 22.274 1.00 51.44 H new ATOM 0 HE2 PHE A 10 -12.117 -15.107 23.248 1.00 3.30 H new ATOM 0 HZ PHE A 10 -13.768 -14.403 21.561 1.00 24.22 H new ATOM 160 N LEU A 11 -15.028 -16.995 27.581 1.00 73.11 N ATOM 161 CA LEU A 11 -14.719 -18.390 27.308 1.00 31.00 C ATOM 162 C LEU A 11 -15.686 -19.308 28.047 1.00 73.10 C ATOM 163 O LEU A 11 -15.747 -20.507 27.773 1.00 62.15 O ATOM 164 CB LEU A 11 -13.284 -18.714 27.723 1.00 1.01 C ATOM 165 CG LEU A 11 -12.221 -17.756 27.188 1.00 4.35 C ATOM 166 CD1 LEU A 11 -11.052 -17.659 28.160 1.00 41.20 C ATOM 167 CD2 LEU A 11 -11.743 -18.206 25.813 1.00 2.01 C ATOM 0 H LEU A 11 -14.564 -16.614 28.406 1.00 73.11 H new ATOM 0 HA LEU A 11 -14.824 -18.555 26.236 1.00 31.00 H new ATOM 0 HB2 LEU A 11 -13.230 -18.720 28.812 1.00 1.01 H new ATOM 0 HB3 LEU A 11 -13.044 -19.723 27.386 1.00 1.01 H new ATOM 0 HG LEU A 11 -12.665 -16.766 27.089 1.00 4.35 H new ATOM 0 HD11 LEU A 11 -10.304 -16.972 27.763 1.00 41.20 H new ATOM 0 HD12 LEU A 11 -11.408 -17.291 29.122 1.00 41.20 H new ATOM 0 HD13 LEU A 11 -10.606 -18.645 28.292 1.00 41.20 H new ATOM 0 HD21 LEU A 11 -10.986 -17.513 25.446 1.00 2.01 H new ATOM 0 HD22 LEU A 11 -11.315 -19.206 25.886 1.00 2.01 H new ATOM 0 HD23 LEU A 11 -12.586 -18.222 25.122 1.00 2.01 H new ATOM 179 N GLN A 12 -16.434 -18.742 28.990 1.00 23.53 N ATOM 180 CA GLN A 12 -17.385 -19.519 29.768 1.00 23.44 C ATOM 181 C GLN A 12 -16.669 -20.666 30.474 1.00 25.43 C ATOM 182 O GLN A 12 -17.167 -21.792 30.513 1.00 51.41 O ATOM 183 CB GLN A 12 -18.494 -20.066 28.866 1.00 53.11 C ATOM 184 CG GLN A 12 -19.567 -19.043 28.531 1.00 64.42 C ATOM 185 CD GLN A 12 -20.407 -18.665 29.735 1.00 42.33 C ATOM 186 OE1 GLN A 12 -19.946 -17.679 30.495 1.00 24.32 O flip ATOM 187 NE2 GLN A 12 -21.462 -19.253 29.980 1.00 71.40 N flip ATOM 0 H GLN A 12 -16.398 -17.752 29.231 1.00 23.53 H new ATOM 0 HA GLN A 12 -17.837 -18.868 30.517 1.00 23.44 H new ATOM 0 HB2 GLN A 12 -18.050 -20.431 27.940 1.00 53.11 H new ATOM 0 HB3 GLN A 12 -18.960 -20.921 29.355 1.00 53.11 H new ATOM 0 HG2 GLN A 12 -19.096 -18.148 28.125 1.00 64.42 H new ATOM 0 HG3 GLN A 12 -20.215 -19.443 27.751 1.00 64.42 H new ATOM 0 HE21 GLN A 12 -21.780 -20.006 29.369 1.00 71.40 H new ATOM 0 HE22 GLN A 12 -22.017 -18.987 30.793 1.00 71.40 H new ATOM 196 N ARG A 13 -15.499 -20.366 31.030 1.00 31.42 N ATOM 197 CA ARG A 13 -14.707 -21.364 31.739 1.00 30.23 C ATOM 198 C ARG A 13 -14.053 -20.750 32.972 1.00 63.10 C ATOM 199 O ARG A 13 -14.410 -19.650 33.394 1.00 64.23 O ATOM 200 CB ARG A 13 -13.627 -21.948 30.821 1.00 73.20 C ATOM 201 CG ARG A 13 -13.947 -21.832 29.339 1.00 72.11 C ATOM 202 CD ARG A 13 -12.994 -22.668 28.500 1.00 24.42 C ATOM 203 NE ARG A 13 -13.182 -22.439 27.070 1.00 51.31 N ATOM 204 CZ ARG A 13 -12.902 -23.338 26.129 1.00 21.21 C ATOM 205 NH1 ARG A 13 -12.405 -24.524 26.456 1.00 22.03 N ATOM 206 NH2 ARG A 13 -13.117 -23.047 24.854 1.00 63.21 N ATOM 0 H ARG A 13 -15.078 -19.437 31.003 1.00 31.42 H new ATOM 0 HA ARG A 13 -15.376 -22.165 32.053 1.00 30.23 H new ATOM 0 HB2 ARG A 13 -12.683 -21.441 31.019 1.00 73.20 H new ATOM 0 HB3 ARG A 13 -13.482 -22.999 31.070 1.00 73.20 H new ATOM 0 HG2 ARG A 13 -14.972 -22.156 29.160 1.00 72.11 H new ATOM 0 HG3 ARG A 13 -13.885 -20.788 29.032 1.00 72.11 H new ATOM 0 HD2 ARG A 13 -11.966 -22.430 28.773 1.00 24.42 H new ATOM 0 HD3 ARG A 13 -13.147 -23.724 28.722 1.00 24.42 H new ATOM 0 HE ARG A 13 -13.550 -21.535 26.774 1.00 51.31 H new ATOM 0 HH11 ARG A 13 -12.234 -24.753 27.435 1.00 22.03 H new ATOM 0 HH12 ARG A 13 -12.194 -25.207 25.728 1.00 22.03 H new ATOM 0 HH21 ARG A 13 -13.496 -22.136 24.596 1.00 63.21 H new ATOM 0 HH22 ARG A 13 -12.903 -23.734 24.131 1.00 63.21 H new ATOM 220 N GLU A 14 -13.091 -21.466 33.544 1.00 1.13 N ATOM 221 CA GLU A 14 -12.386 -20.990 34.727 1.00 34.13 C ATOM 222 C GLU A 14 -10.934 -20.652 34.398 1.00 14.15 C ATOM 223 O GLU A 14 -10.161 -21.521 33.994 1.00 14.24 O ATOM 224 CB GLU A 14 -12.444 -22.039 35.839 1.00 13.12 C ATOM 225 CG GLU A 14 -12.792 -21.463 37.202 1.00 33.02 C ATOM 226 CD GLU A 14 -13.569 -22.435 38.066 1.00 62.23 C ATOM 227 OE1 GLU A 14 -13.189 -23.625 38.110 1.00 65.42 O ATOM 228 OE2 GLU A 14 -14.559 -22.010 38.698 1.00 33.53 O ATOM 0 H GLU A 14 -12.782 -22.378 33.207 1.00 1.13 H new ATOM 0 HA GLU A 14 -12.879 -20.081 35.072 1.00 34.13 H new ATOM 0 HB2 GLU A 14 -13.182 -22.796 35.575 1.00 13.12 H new ATOM 0 HB3 GLU A 14 -11.479 -22.543 35.902 1.00 13.12 H new ATOM 0 HG2 GLU A 14 -11.874 -21.179 37.717 1.00 33.02 H new ATOM 0 HG3 GLU A 14 -13.378 -20.553 37.069 1.00 33.02 H new ATOM 235 N ALA A 15 -10.572 -19.385 34.572 1.00 12.03 N ATOM 236 CA ALA A 15 -9.213 -18.933 34.291 1.00 21.22 C ATOM 237 C ALA A 15 -8.576 -18.296 35.522 1.00 54.41 C ATOM 238 O ALA A 15 -9.185 -18.237 36.591 1.00 2.04 O ATOM 239 CB ALA A 15 -9.216 -17.953 33.125 1.00 50.14 C ATOM 0 H ALA A 15 -11.200 -18.653 34.906 1.00 12.03 H new ATOM 0 HA ALA A 15 -8.616 -19.804 34.020 1.00 21.22 H new ATOM 0 HB1 ALA A 15 -8.197 -17.623 32.925 1.00 50.14 H new ATOM 0 HB2 ALA A 15 -9.619 -18.443 32.239 1.00 50.14 H new ATOM 0 HB3 ALA A 15 -9.834 -17.091 33.376 1.00 50.14 H new ATOM 245 N GLU A 16 -7.344 -17.821 35.363 1.00 3.04 N ATOM 246 CA GLU A 16 -6.618 -17.190 36.459 1.00 72.43 C ATOM 247 C GLU A 16 -7.044 -15.736 36.647 1.00 31.24 C ATOM 248 O GLU A 16 -6.718 -15.113 37.658 1.00 54.24 O ATOM 249 CB GLU A 16 -5.112 -17.263 36.202 1.00 40.45 C ATOM 250 CG GLU A 16 -4.697 -16.688 34.856 1.00 2.55 C ATOM 251 CD GLU A 16 -3.194 -16.533 34.726 1.00 45.03 C ATOM 252 OE1 GLU A 16 -2.466 -17.484 35.083 1.00 44.31 O ATOM 253 OE2 GLU A 16 -2.745 -15.464 34.264 1.00 45.02 O ATOM 0 H GLU A 16 -6.828 -17.862 34.484 1.00 3.04 H new ATOM 0 HA GLU A 16 -6.857 -17.732 37.374 1.00 72.43 H new ATOM 0 HB2 GLU A 16 -4.590 -16.726 36.994 1.00 40.45 H new ATOM 0 HB3 GLU A 16 -4.792 -18.303 36.258 1.00 40.45 H new ATOM 0 HG2 GLU A 16 -5.062 -17.337 34.060 1.00 2.55 H new ATOM 0 HG3 GLU A 16 -5.172 -15.717 34.718 1.00 2.55 H new ATOM 260 N GLY A 17 -7.770 -15.199 35.673 1.00 52.13 N ATOM 261 CA GLY A 17 -8.223 -13.822 35.761 1.00 51.12 C ATOM 262 C GLY A 17 -7.073 -12.841 35.876 1.00 22.35 C ATOM 263 O GLY A 17 -5.916 -13.242 35.997 1.00 53.22 O ATOM 0 H GLY A 17 -8.053 -15.691 34.825 1.00 52.13 H new ATOM 0 HA2 GLY A 17 -8.816 -13.581 34.879 1.00 51.12 H new ATOM 0 HA3 GLY A 17 -8.878 -13.713 36.625 1.00 51.12 H new ATOM 267 N GLN A 18 -7.392 -11.551 35.839 1.00 21.14 N ATOM 268 CA GLN A 18 -6.376 -10.510 35.942 1.00 54.11 C ATOM 269 C GLN A 18 -6.035 -10.228 37.401 1.00 43.52 C ATOM 270 O GLN A 18 -6.641 -10.794 38.311 1.00 15.54 O ATOM 271 CB GLN A 18 -6.859 -9.230 35.259 1.00 11.52 C ATOM 272 CG GLN A 18 -7.213 -9.424 33.793 1.00 53.05 C ATOM 273 CD GLN A 18 -8.036 -8.281 33.232 1.00 62.42 C ATOM 274 OE1 GLN A 18 -9.127 -8.616 32.554 1.00 1.12 O flip ATOM 275 NE2 GLN A 18 -7.696 -7.111 33.408 1.00 14.32 N flip ATOM 0 H GLN A 18 -8.345 -11.202 35.739 1.00 21.14 H new ATOM 0 HA GLN A 18 -5.475 -10.862 35.440 1.00 54.11 H new ATOM 0 HB2 GLN A 18 -7.733 -8.852 35.789 1.00 11.52 H new ATOM 0 HB3 GLN A 18 -6.083 -8.469 35.340 1.00 11.52 H new ATOM 0 HG2 GLN A 18 -6.296 -9.525 33.213 1.00 53.05 H new ATOM 0 HG3 GLN A 18 -7.767 -10.356 33.678 1.00 53.05 H new ATOM 0 HE21 GLN A 18 -6.849 -6.900 33.936 1.00 14.32 H new ATOM 0 HE22 GLN A 18 -8.261 -6.353 33.026 1.00 14.32 H new ATOM 284 N ASP A 19 -5.057 -9.356 37.617 1.00 30.30 N ATOM 285 CA ASP A 19 -4.635 -9.003 38.967 1.00 31.15 C ATOM 286 C ASP A 19 -4.921 -7.534 39.270 1.00 54.34 C ATOM 287 O ASP A 19 -5.100 -7.154 40.427 1.00 62.12 O ATOM 288 CB ASP A 19 -3.143 -9.294 39.150 1.00 61.25 C ATOM 289 CG ASP A 19 -2.891 -10.440 40.111 1.00 4.21 C ATOM 290 OD1 ASP A 19 -3.742 -10.671 40.995 1.00 63.02 O ATOM 291 OD2 ASP A 19 -1.842 -11.105 39.978 1.00 32.45 O ATOM 0 H ASP A 19 -4.542 -8.881 36.876 1.00 30.30 H new ATOM 0 HA ASP A 19 -5.207 -9.612 39.666 1.00 31.15 H new ATOM 0 HB2 ASP A 19 -2.700 -9.531 38.182 1.00 61.25 H new ATOM 0 HB3 ASP A 19 -2.643 -8.398 39.518 1.00 61.25 H new ATOM 296 N PHE A 20 -4.962 -6.711 38.227 1.00 75.50 N ATOM 297 CA PHE A 20 -5.224 -5.287 38.394 1.00 61.11 C ATOM 298 C PHE A 20 -6.095 -4.752 37.260 1.00 11.10 C ATOM 299 O PHE A 20 -5.960 -5.171 36.110 1.00 10.14 O ATOM 300 CB PHE A 20 -3.910 -4.502 38.459 1.00 42.10 C ATOM 301 CG PHE A 20 -2.819 -5.063 37.591 1.00 20.33 C ATOM 302 CD1 PHE A 20 -2.036 -6.118 38.034 1.00 62.20 C ATOM 303 CD2 PHE A 20 -2.574 -4.536 36.333 1.00 53.11 C ATOM 304 CE1 PHE A 20 -1.030 -6.634 37.242 1.00 64.11 C ATOM 305 CE2 PHE A 20 -1.568 -5.048 35.535 1.00 13.12 C ATOM 306 CZ PHE A 20 -0.795 -6.100 35.989 1.00 51.01 C ATOM 0 H PHE A 20 -4.818 -7.005 37.261 1.00 75.50 H new ATOM 0 HA PHE A 20 -5.762 -5.155 39.333 1.00 61.11 H new ATOM 0 HB2 PHE A 20 -4.100 -3.470 38.164 1.00 42.10 H new ATOM 0 HB3 PHE A 20 -3.563 -4.479 39.492 1.00 42.10 H new ATOM 0 HD1 PHE A 20 -2.215 -6.541 39.011 1.00 62.20 H new ATOM 0 HD2 PHE A 20 -3.176 -3.715 35.972 1.00 53.11 H new ATOM 0 HE1 PHE A 20 -0.427 -7.455 37.601 1.00 64.11 H new ATOM 0 HE2 PHE A 20 -1.386 -4.626 34.558 1.00 13.12 H new ATOM 0 HZ PHE A 20 -0.010 -6.503 35.367 1.00 51.01 H new ATOM 316 N GLN A 21 -6.990 -3.829 37.595 1.00 15.34 N ATOM 317 CA GLN A 21 -7.886 -3.236 36.609 1.00 22.42 C ATOM 318 C GLN A 21 -7.109 -2.404 35.596 1.00 75.54 C ATOM 319 O GLN A 21 -6.400 -1.465 35.959 1.00 3.30 O ATOM 320 CB GLN A 21 -8.937 -2.368 37.301 1.00 41.11 C ATOM 321 CG GLN A 21 -10.176 -2.123 36.454 1.00 63.45 C ATOM 322 CD GLN A 21 -11.361 -1.658 37.278 1.00 14.32 C ATOM 323 OE1 GLN A 21 -11.859 -2.385 38.137 1.00 21.41 O ATOM 324 NE2 GLN A 21 -11.819 -0.438 37.020 1.00 51.02 N ATOM 0 H GLN A 21 -7.114 -3.475 38.543 1.00 15.34 H new ATOM 0 HA GLN A 21 -8.386 -4.046 36.078 1.00 22.42 H new ATOM 0 HB2 GLN A 21 -9.234 -2.846 38.235 1.00 41.11 H new ATOM 0 HB3 GLN A 21 -8.490 -1.409 37.562 1.00 41.11 H new ATOM 0 HG2 GLN A 21 -9.950 -1.375 35.694 1.00 63.45 H new ATOM 0 HG3 GLN A 21 -10.441 -3.041 35.929 1.00 63.45 H new ATOM 0 HE21 GLN A 21 -11.376 0.131 36.299 1.00 51.02 H new ATOM 0 HE22 GLN A 21 -12.614 -0.070 37.543 1.00 51.02 H new ATOM 333 N LEU A 22 -7.245 -2.758 34.324 1.00 10.45 N ATOM 334 CA LEU A 22 -6.556 -2.048 33.251 1.00 4.02 C ATOM 335 C LEU A 22 -7.491 -1.051 32.572 1.00 35.51 C ATOM 336 O LEU A 22 -7.078 0.040 32.182 1.00 71.53 O ATOM 337 CB LEU A 22 -6.010 -3.046 32.226 1.00 12.14 C ATOM 338 CG LEU A 22 -5.507 -4.367 32.817 1.00 25.31 C ATOM 339 CD1 LEU A 22 -5.102 -5.331 31.712 1.00 12.30 C ATOM 340 CD2 LEU A 22 -4.339 -4.117 33.761 1.00 4.03 C ATOM 0 H LEU A 22 -7.827 -3.534 34.009 1.00 10.45 H new ATOM 0 HA LEU A 22 -5.724 -1.494 33.684 1.00 4.02 H new ATOM 0 HB2 LEU A 22 -6.793 -3.264 31.500 1.00 12.14 H new ATOM 0 HB3 LEU A 22 -5.193 -2.574 31.681 1.00 12.14 H new ATOM 0 HG LEU A 22 -6.320 -4.820 33.384 1.00 25.31 H new ATOM 0 HD11 LEU A 22 -4.748 -6.263 32.154 1.00 12.30 H new ATOM 0 HD12 LEU A 22 -5.962 -5.536 31.074 1.00 12.30 H new ATOM 0 HD13 LEU A 22 -4.305 -4.887 31.115 1.00 12.30 H new ATOM 0 HD21 LEU A 22 -3.994 -5.066 34.172 1.00 4.03 H new ATOM 0 HD22 LEU A 22 -3.525 -3.641 33.215 1.00 4.03 H new ATOM 0 HD23 LEU A 22 -4.661 -3.465 34.573 1.00 4.03 H new ATOM 352 N TYR A 23 -8.753 -1.439 32.441 1.00 34.05 N ATOM 353 CA TYR A 23 -9.766 -0.594 31.814 1.00 23.50 C ATOM 354 C TYR A 23 -10.378 0.363 32.838 1.00 25.40 C ATOM 355 O TYR A 23 -10.158 0.217 34.039 1.00 43.13 O ATOM 356 CB TYR A 23 -10.864 -1.472 31.214 1.00 63.45 C ATOM 357 CG TYR A 23 -10.993 -1.372 29.717 1.00 52.33 C ATOM 358 CD1 TYR A 23 -9.900 -1.552 28.883 1.00 65.42 C ATOM 359 CD2 TYR A 23 -12.221 -1.087 29.146 1.00 4.51 C ATOM 360 CE1 TYR A 23 -10.033 -1.451 27.511 1.00 33.35 C ATOM 361 CE2 TYR A 23 -12.365 -0.983 27.781 1.00 71.50 C ATOM 362 CZ TYR A 23 -11.268 -1.165 26.963 1.00 12.35 C ATOM 363 OH TYR A 23 -11.405 -1.059 25.598 1.00 2.05 O ATOM 0 H TYR A 23 -9.103 -2.341 32.763 1.00 34.05 H new ATOM 0 HA TYR A 23 -9.293 -0.007 31.027 1.00 23.50 H new ATOM 0 HB2 TYR A 23 -10.668 -2.511 31.481 1.00 63.45 H new ATOM 0 HB3 TYR A 23 -11.817 -1.201 31.667 1.00 63.45 H new ATOM 0 HD1 TYR A 23 -8.933 -1.774 29.311 1.00 65.42 H new ATOM 0 HD2 TYR A 23 -13.082 -0.944 29.783 1.00 4.51 H new ATOM 0 HE1 TYR A 23 -9.175 -1.595 26.871 1.00 33.35 H new ATOM 0 HE2 TYR A 23 -13.331 -0.760 27.352 1.00 71.50 H new ATOM 0 HH TYR A 23 -11.497 -1.953 25.208 1.00 2.05 H new ATOM 373 N PRO A 24 -11.161 1.357 32.369 1.00 32.24 N ATOM 374 CA PRO A 24 -11.823 2.342 33.229 1.00 11.05 C ATOM 375 C PRO A 24 -12.472 1.720 34.463 1.00 1.33 C ATOM 376 O PRO A 24 -12.306 0.535 34.745 1.00 21.12 O ATOM 377 CB PRO A 24 -12.895 2.966 32.314 1.00 65.33 C ATOM 378 CG PRO A 24 -12.857 2.168 31.052 1.00 43.20 C ATOM 379 CD PRO A 24 -11.470 1.616 30.965 1.00 63.42 C ATOM 0 HA PRO A 24 -11.108 3.063 33.627 1.00 11.05 H new ATOM 0 HB2 PRO A 24 -13.881 2.921 32.777 1.00 65.33 H new ATOM 0 HB3 PRO A 24 -12.682 4.017 32.120 1.00 65.33 H new ATOM 0 HG2 PRO A 24 -13.597 1.368 31.072 1.00 43.20 H new ATOM 0 HG3 PRO A 24 -13.085 2.791 30.187 1.00 43.20 H new ATOM 0 HD2 PRO A 24 -11.429 0.708 30.363 1.00 63.42 H new ATOM 0 HD3 PRO A 24 -10.775 2.327 30.518 1.00 63.42 H new ATOM 387 N GLY A 25 -13.194 2.545 35.209 1.00 62.31 N ATOM 388 CA GLY A 25 -13.834 2.095 36.428 1.00 55.53 C ATOM 389 C GLY A 25 -14.970 1.110 36.242 1.00 61.45 C ATOM 390 O GLY A 25 -14.826 -0.074 36.541 1.00 31.03 O ATOM 0 H GLY A 25 -13.349 3.529 34.988 1.00 62.31 H new ATOM 0 HA2 GLY A 25 -13.079 1.636 37.066 1.00 55.53 H new ATOM 0 HA3 GLY A 25 -14.215 2.966 36.961 1.00 55.53 H new ATOM 394 N GLU A 26 -16.109 1.606 35.789 1.00 34.32 N ATOM 395 CA GLU A 26 -17.295 0.775 35.606 1.00 25.33 C ATOM 396 C GLU A 26 -17.023 -0.446 34.736 1.00 14.12 C ATOM 397 O GLU A 26 -17.300 -1.578 35.134 1.00 61.02 O ATOM 398 CB GLU A 26 -18.420 1.603 34.987 1.00 60.13 C ATOM 399 CG GLU A 26 -19.745 0.865 34.901 1.00 32.34 C ATOM 400 CD GLU A 26 -20.936 1.802 34.886 1.00 53.51 C ATOM 401 OE1 GLU A 26 -21.216 2.424 35.932 1.00 61.30 O ATOM 402 OE2 GLU A 26 -21.588 1.913 33.827 1.00 44.40 O ATOM 0 H GLU A 26 -16.241 2.586 35.539 1.00 34.32 H new ATOM 0 HA GLU A 26 -17.590 0.416 36.592 1.00 25.33 H new ATOM 0 HB2 GLU A 26 -18.557 2.510 35.575 1.00 60.13 H new ATOM 0 HB3 GLU A 26 -18.122 1.914 33.986 1.00 60.13 H new ATOM 0 HG2 GLU A 26 -19.758 0.253 33.999 1.00 32.34 H new ATOM 0 HG3 GLU A 26 -19.833 0.185 35.748 1.00 32.34 H new ATOM 409 N LEU A 27 -16.518 -0.210 33.535 1.00 43.20 N ATOM 410 CA LEU A 27 -16.254 -1.290 32.595 1.00 70.03 C ATOM 411 C LEU A 27 -15.021 -2.108 32.967 1.00 3.24 C ATOM 412 O LEU A 27 -15.100 -3.328 33.092 1.00 43.43 O ATOM 413 CB LEU A 27 -16.119 -0.723 31.188 1.00 42.54 C ATOM 414 CG LEU A 27 -17.359 -0.928 30.314 1.00 51.12 C ATOM 415 CD1 LEU A 27 -17.163 -0.312 28.941 1.00 14.22 C ATOM 416 CD2 LEU A 27 -17.685 -2.411 30.193 1.00 51.13 C ATOM 0 H LEU A 27 -16.283 0.720 33.188 1.00 43.20 H new ATOM 0 HA LEU A 27 -17.101 -1.974 32.636 1.00 70.03 H new ATOM 0 HB2 LEU A 27 -15.907 0.344 31.256 1.00 42.54 H new ATOM 0 HB3 LEU A 27 -15.262 -1.188 30.700 1.00 42.54 H new ATOM 0 HG LEU A 27 -18.199 -0.425 30.793 1.00 51.12 H new ATOM 0 HD11 LEU A 27 -18.058 -0.471 28.340 1.00 14.22 H new ATOM 0 HD12 LEU A 27 -16.981 0.758 29.045 1.00 14.22 H new ATOM 0 HD13 LEU A 27 -16.309 -0.779 28.451 1.00 14.22 H new ATOM 0 HD21 LEU A 27 -18.569 -2.539 29.569 1.00 51.13 H new ATOM 0 HD22 LEU A 27 -16.842 -2.933 29.740 1.00 51.13 H new ATOM 0 HD23 LEU A 27 -17.877 -2.823 31.184 1.00 51.13 H new ATOM 428 N GLY A 28 -13.883 -1.451 33.140 1.00 3.43 N ATOM 429 CA GLY A 28 -12.668 -2.171 33.487 1.00 70.33 C ATOM 430 C GLY A 28 -12.836 -3.120 34.657 1.00 53.45 C ATOM 431 O GLY A 28 -12.044 -4.045 34.824 1.00 64.53 O ATOM 0 H GLY A 28 -13.776 -0.441 33.048 1.00 3.43 H new ATOM 0 HA2 GLY A 28 -12.330 -2.736 32.618 1.00 70.33 H new ATOM 0 HA3 GLY A 28 -11.885 -1.451 33.724 1.00 70.33 H new ATOM 435 N LYS A 29 -13.862 -2.900 35.471 1.00 41.30 N ATOM 436 CA LYS A 29 -14.109 -3.758 36.621 1.00 11.31 C ATOM 437 C LYS A 29 -14.582 -5.143 36.183 1.00 74.12 C ATOM 438 O LYS A 29 -13.977 -6.155 36.533 1.00 50.10 O ATOM 439 CB LYS A 29 -15.145 -3.122 37.548 1.00 13.40 C ATOM 440 CG LYS A 29 -15.004 -3.550 38.999 1.00 74.43 C ATOM 441 CD LYS A 29 -16.342 -3.954 39.595 1.00 54.40 C ATOM 442 CE LYS A 29 -16.786 -5.318 39.094 1.00 33.14 C ATOM 443 NZ LYS A 29 -17.823 -5.211 38.030 1.00 73.52 N ATOM 0 H LYS A 29 -14.532 -2.139 35.356 1.00 41.30 H new ATOM 0 HA LYS A 29 -13.169 -3.871 37.161 1.00 11.31 H new ATOM 0 HB2 LYS A 29 -15.058 -2.037 37.487 1.00 13.40 H new ATOM 0 HB3 LYS A 29 -16.144 -3.382 37.196 1.00 13.40 H new ATOM 0 HG2 LYS A 29 -14.308 -4.386 39.066 1.00 74.43 H new ATOM 0 HG3 LYS A 29 -14.578 -2.732 39.580 1.00 74.43 H new ATOM 0 HD2 LYS A 29 -16.267 -3.971 40.682 1.00 54.40 H new ATOM 0 HD3 LYS A 29 -17.095 -3.209 39.340 1.00 54.40 H new ATOM 0 HE2 LYS A 29 -15.924 -5.860 38.706 1.00 33.14 H new ATOM 0 HE3 LYS A 29 -17.180 -5.900 39.927 1.00 33.14 H new ATOM 0 HZ1 LYS A 29 -18.706 -5.649 38.361 1.00 73.52 H new ATOM 0 HZ2 LYS A 29 -17.994 -4.209 37.812 1.00 73.52 H new ATOM 0 HZ3 LYS A 29 -17.493 -5.700 37.173 1.00 73.52 H new ATOM 457 N ARG A 30 -15.677 -5.177 35.426 1.00 14.42 N ATOM 458 CA ARG A 30 -16.242 -6.436 34.951 1.00 74.43 C ATOM 459 C ARG A 30 -15.233 -7.230 34.121 1.00 51.04 C ATOM 460 O ARG A 30 -15.175 -8.451 34.218 1.00 65.32 O ATOM 461 CB ARG A 30 -17.519 -6.188 34.145 1.00 42.34 C ATOM 462 CG ARG A 30 -17.291 -5.410 32.866 1.00 12.00 C ATOM 463 CD ARG A 30 -18.599 -4.927 32.263 1.00 64.35 C ATOM 464 NE ARG A 30 -19.064 -3.690 32.887 1.00 14.55 N ATOM 465 CZ ARG A 30 -20.156 -3.593 33.642 1.00 44.23 C ATOM 466 NH1 ARG A 30 -20.935 -4.647 33.847 1.00 71.24 N ATOM 467 NH2 ARG A 30 -20.476 -2.429 34.191 1.00 70.40 N ATOM 0 H ARG A 30 -16.190 -4.347 35.129 1.00 14.42 H new ATOM 0 HA ARG A 30 -16.493 -7.032 35.829 1.00 74.43 H new ATOM 0 HB2 ARG A 30 -17.975 -7.147 33.900 1.00 42.34 H new ATOM 0 HB3 ARG A 30 -18.231 -5.646 34.767 1.00 42.34 H new ATOM 0 HG2 ARG A 30 -16.646 -4.555 33.070 1.00 12.00 H new ATOM 0 HG3 ARG A 30 -16.768 -6.039 32.145 1.00 12.00 H new ATOM 0 HD2 ARG A 30 -18.468 -4.767 31.193 1.00 64.35 H new ATOM 0 HD3 ARG A 30 -19.359 -5.700 32.379 1.00 64.35 H new ATOM 0 HE ARG A 30 -18.515 -2.844 32.734 1.00 14.55 H new ATOM 0 HH11 ARG A 30 -20.700 -5.545 33.424 1.00 71.24 H new ATOM 0 HH12 ARG A 30 -21.769 -4.560 34.428 1.00 71.24 H new ATOM 0 HH21 ARG A 30 -19.886 -1.612 34.034 1.00 70.40 H new ATOM 0 HH22 ARG A 30 -21.312 -2.351 34.770 1.00 70.40 H new ATOM 481 N ILE A 31 -14.425 -6.540 33.320 1.00 42.52 N ATOM 482 CA ILE A 31 -13.411 -7.218 32.508 1.00 44.44 C ATOM 483 C ILE A 31 -12.400 -7.891 33.415 1.00 73.55 C ATOM 484 O ILE A 31 -12.160 -9.096 33.333 1.00 62.43 O ATOM 485 CB ILE A 31 -12.660 -6.234 31.590 1.00 54.41 C ATOM 486 CG1 ILE A 31 -13.642 -5.389 30.786 1.00 20.53 C ATOM 487 CG2 ILE A 31 -11.710 -6.977 30.663 1.00 14.54 C ATOM 488 CD1 ILE A 31 -13.213 -3.950 30.659 1.00 24.11 C ATOM 0 H ILE A 31 -14.449 -5.526 33.214 1.00 42.52 H new ATOM 0 HA ILE A 31 -13.926 -7.951 31.887 1.00 44.44 H new ATOM 0 HB ILE A 31 -12.070 -5.568 32.219 1.00 54.41 H new ATOM 0 HG12 ILE A 31 -13.752 -5.819 29.790 1.00 20.53 H new ATOM 0 HG13 ILE A 31 -14.622 -5.430 31.261 1.00 20.53 H new ATOM 0 HG21 ILE A 31 -11.191 -6.262 30.025 1.00 14.54 H new ATOM 0 HG22 ILE A 31 -10.981 -7.530 31.256 1.00 14.54 H new ATOM 0 HG23 ILE A 31 -12.276 -7.673 30.043 1.00 14.54 H new ATOM 0 HD11 ILE A 31 -13.952 -3.400 30.077 1.00 24.11 H new ATOM 0 HD12 ILE A 31 -13.130 -3.506 31.651 1.00 24.11 H new ATOM 0 HD13 ILE A 31 -12.247 -3.901 30.157 1.00 24.11 H new ATOM 500 N TYR A 32 -11.822 -7.085 34.287 1.00 64.50 N ATOM 501 CA TYR A 32 -10.836 -7.552 35.243 1.00 23.32 C ATOM 502 C TYR A 32 -11.415 -8.661 36.123 1.00 71.21 C ATOM 503 O TYR A 32 -10.672 -9.427 36.735 1.00 4.24 O ATOM 504 CB TYR A 32 -10.359 -6.360 36.086 1.00 61.31 C ATOM 505 CG TYR A 32 -10.016 -6.685 37.522 1.00 14.12 C ATOM 506 CD1 TYR A 32 -11.011 -6.827 38.480 1.00 20.14 C ATOM 507 CD2 TYR A 32 -8.696 -6.840 37.914 1.00 54.11 C ATOM 508 CE1 TYR A 32 -10.696 -7.116 39.794 1.00 50.43 C ATOM 509 CE2 TYR A 32 -8.372 -7.128 39.224 1.00 31.22 C ATOM 510 CZ TYR A 32 -9.376 -7.265 40.161 1.00 75.01 C ATOM 511 OH TYR A 32 -9.058 -7.554 41.469 1.00 23.44 O ATOM 0 H TYR A 32 -12.024 -6.087 34.352 1.00 64.50 H new ATOM 0 HA TYR A 32 -9.984 -7.977 34.713 1.00 23.32 H new ATOM 0 HB2 TYR A 32 -9.481 -5.926 35.608 1.00 61.31 H new ATOM 0 HB3 TYR A 32 -11.136 -5.596 36.079 1.00 61.31 H new ATOM 0 HD1 TYR A 32 -12.046 -6.710 38.194 1.00 20.14 H new ATOM 0 HD2 TYR A 32 -7.908 -6.734 37.183 1.00 54.11 H new ATOM 0 HE1 TYR A 32 -11.480 -7.224 40.529 1.00 50.43 H new ATOM 0 HE2 TYR A 32 -7.338 -7.246 39.514 1.00 31.22 H new ATOM 0 HH TYR A 32 -8.085 -7.628 41.560 1.00 23.44 H new ATOM 521 N ASN A 33 -12.744 -8.731 36.198 1.00 73.34 N ATOM 522 CA ASN A 33 -13.403 -9.740 37.026 1.00 54.32 C ATOM 523 C ASN A 33 -13.920 -10.938 36.218 1.00 71.34 C ATOM 524 O ASN A 33 -13.632 -12.087 36.554 1.00 44.01 O ATOM 525 CB ASN A 33 -14.554 -9.101 37.801 1.00 0.31 C ATOM 526 CG ASN A 33 -14.114 -8.587 39.157 1.00 15.51 C ATOM 527 OD1 ASN A 33 -12.992 -8.840 39.597 1.00 33.41 O ATOM 528 ND2 ASN A 33 -14.997 -7.859 39.823 1.00 61.25 N ATOM 0 H ASN A 33 -13.380 -8.108 35.701 1.00 73.34 H new ATOM 0 HA ASN A 33 -12.651 -10.125 37.714 1.00 54.32 H new ATOM 0 HB2 ASN A 33 -14.969 -8.278 37.219 1.00 0.31 H new ATOM 0 HB3 ASN A 33 -15.352 -9.832 37.933 1.00 0.31 H new ATOM 0 HD21 ASN A 33 -14.759 -7.482 40.740 1.00 61.25 H new ATOM 0 HD22 ASN A 33 -15.915 -7.675 39.419 1.00 61.25 H new ATOM 535 N GLU A 34 -14.712 -10.671 35.182 1.00 11.44 N ATOM 536 CA GLU A 34 -15.297 -11.740 34.368 1.00 12.01 C ATOM 537 C GLU A 34 -14.475 -12.057 33.120 1.00 33.04 C ATOM 538 O GLU A 34 -14.560 -13.159 32.586 1.00 14.34 O ATOM 539 CB GLU A 34 -16.722 -11.366 33.960 1.00 14.34 C ATOM 540 CG GLU A 34 -17.599 -10.950 35.129 1.00 71.44 C ATOM 541 CD GLU A 34 -18.797 -11.860 35.314 1.00 43.43 C ATOM 542 OE1 GLU A 34 -18.664 -12.880 36.022 1.00 51.51 O ATOM 543 OE2 GLU A 34 -19.868 -11.552 34.750 1.00 60.04 O ATOM 0 H GLU A 34 -14.964 -9.728 34.885 1.00 11.44 H new ATOM 0 HA GLU A 34 -15.303 -12.637 34.987 1.00 12.01 H new ATOM 0 HB2 GLU A 34 -16.682 -10.550 33.238 1.00 14.34 H new ATOM 0 HB3 GLU A 34 -17.182 -12.216 33.456 1.00 14.34 H new ATOM 0 HG2 GLU A 34 -17.004 -10.949 36.042 1.00 71.44 H new ATOM 0 HG3 GLU A 34 -17.945 -9.928 34.973 1.00 71.44 H new ATOM 550 N ILE A 35 -13.689 -11.100 32.649 1.00 41.23 N ATOM 551 CA ILE A 35 -12.870 -11.311 31.461 1.00 15.01 C ATOM 552 C ILE A 35 -11.429 -11.637 31.847 1.00 22.10 C ATOM 553 O ILE A 35 -10.633 -10.743 32.136 1.00 72.42 O ATOM 554 CB ILE A 35 -12.900 -10.075 30.534 1.00 65.24 C ATOM 555 CG1 ILE A 35 -14.330 -9.790 30.061 1.00 43.31 C ATOM 556 CG2 ILE A 35 -11.977 -10.265 29.335 1.00 51.33 C ATOM 557 CD1 ILE A 35 -15.074 -11.023 29.601 1.00 44.35 C ATOM 0 H ILE A 35 -13.600 -10.174 33.067 1.00 41.23 H new ATOM 0 HA ILE A 35 -13.290 -12.158 30.919 1.00 15.01 H new ATOM 0 HB ILE A 35 -12.543 -9.219 31.107 1.00 65.24 H new ATOM 0 HG12 ILE A 35 -14.886 -9.323 30.874 1.00 43.31 H new ATOM 0 HG13 ILE A 35 -14.296 -9.070 29.243 1.00 43.31 H new ATOM 0 HG21 ILE A 35 -12.018 -9.380 28.700 1.00 51.33 H new ATOM 0 HG22 ILE A 35 -10.955 -10.415 29.683 1.00 51.33 H new ATOM 0 HG23 ILE A 35 -12.297 -11.136 28.764 1.00 51.33 H new ATOM 0 HD11 ILE A 35 -16.078 -10.744 29.281 1.00 44.35 H new ATOM 0 HD12 ILE A 35 -14.541 -11.479 28.767 1.00 44.35 H new ATOM 0 HD13 ILE A 35 -15.140 -11.736 30.423 1.00 44.35 H new ATOM 569 N SER A 36 -11.106 -12.928 31.850 1.00 32.24 N ATOM 570 CA SER A 36 -9.766 -13.386 32.201 1.00 70.31 C ATOM 571 C SER A 36 -8.731 -12.856 31.216 1.00 1.11 C ATOM 572 O SER A 36 -9.063 -12.126 30.283 1.00 2.44 O ATOM 573 CB SER A 36 -9.723 -14.915 32.240 1.00 53.15 C ATOM 574 OG SER A 36 -10.063 -15.467 30.979 1.00 41.34 O ATOM 0 H SER A 36 -11.757 -13.677 31.612 1.00 32.24 H new ATOM 0 HA SER A 36 -9.523 -12.998 33.190 1.00 70.31 H new ATOM 0 HB2 SER A 36 -8.726 -15.247 32.529 1.00 53.15 H new ATOM 0 HB3 SER A 36 -10.413 -15.282 32.999 1.00 53.15 H new ATOM 0 HG SER A 36 -10.991 -15.240 30.762 1.00 41.34 H new ATOM 580 N LYS A 37 -7.473 -13.225 31.434 1.00 42.00 N ATOM 581 CA LYS A 37 -6.385 -12.782 30.570 1.00 52.25 C ATOM 582 C LYS A 37 -6.477 -13.432 29.193 1.00 52.31 C ATOM 583 O LYS A 37 -6.144 -12.813 28.183 1.00 14.05 O ATOM 584 CB LYS A 37 -5.035 -13.095 31.217 1.00 71.22 C ATOM 585 CG LYS A 37 -4.657 -12.117 32.320 1.00 2.54 C ATOM 586 CD LYS A 37 -3.396 -12.552 33.051 1.00 32.52 C ATOM 587 CE LYS A 37 -3.041 -11.583 34.169 1.00 55.32 C ATOM 588 NZ LYS A 37 -1.574 -11.340 34.251 1.00 43.10 N ATOM 0 H LYS A 37 -7.182 -13.830 32.202 1.00 42.00 H new ATOM 0 HA LYS A 37 -6.473 -11.703 30.440 1.00 52.25 H new ATOM 0 HB2 LYS A 37 -5.062 -14.104 31.629 1.00 71.22 H new ATOM 0 HB3 LYS A 37 -4.261 -13.084 30.450 1.00 71.22 H new ATOM 0 HG2 LYS A 37 -4.506 -11.126 31.891 1.00 2.54 H new ATOM 0 HG3 LYS A 37 -5.479 -12.035 33.031 1.00 2.54 H new ATOM 0 HD2 LYS A 37 -3.539 -13.550 33.464 1.00 32.52 H new ATOM 0 HD3 LYS A 37 -2.568 -12.615 32.345 1.00 32.52 H new ATOM 0 HE2 LYS A 37 -3.557 -10.637 34.006 1.00 55.32 H new ATOM 0 HE3 LYS A 37 -3.397 -11.980 35.120 1.00 55.32 H new ATOM 0 HZ1 LYS A 37 -1.375 -10.675 35.025 1.00 43.10 H new ATOM 0 HZ2 LYS A 37 -1.083 -12.239 34.432 1.00 43.10 H new ATOM 0 HZ3 LYS A 37 -1.238 -10.937 33.353 1.00 43.10 H new ATOM 602 N GLU A 38 -6.934 -14.681 29.156 1.00 41.40 N ATOM 603 CA GLU A 38 -7.074 -15.403 27.897 1.00 54.20 C ATOM 604 C GLU A 38 -8.040 -14.674 26.969 1.00 31.43 C ATOM 605 O GLU A 38 -7.723 -14.404 25.810 1.00 60.21 O ATOM 606 CB GLU A 38 -7.566 -16.827 28.156 1.00 41.40 C ATOM 607 CG GLU A 38 -7.626 -17.691 26.906 1.00 62.41 C ATOM 608 CD GLU A 38 -7.391 -19.160 27.204 1.00 30.14 C ATOM 609 OE1 GLU A 38 -6.274 -19.507 27.641 1.00 54.15 O ATOM 610 OE2 GLU A 38 -8.326 -19.964 27.000 1.00 72.33 O ATOM 0 H GLU A 38 -7.213 -15.212 29.981 1.00 41.40 H new ATOM 0 HA GLU A 38 -6.098 -15.450 27.415 1.00 54.20 H new ATOM 0 HB2 GLU A 38 -6.908 -17.302 28.884 1.00 41.40 H new ATOM 0 HB3 GLU A 38 -8.559 -16.783 28.604 1.00 41.40 H new ATOM 0 HG2 GLU A 38 -8.600 -17.571 26.432 1.00 62.41 H new ATOM 0 HG3 GLU A 38 -6.879 -17.344 26.192 1.00 62.41 H new ATOM 617 N ALA A 39 -9.217 -14.348 27.494 1.00 51.41 N ATOM 618 CA ALA A 39 -10.228 -13.640 26.721 1.00 63.44 C ATOM 619 C ALA A 39 -9.761 -12.226 26.397 1.00 13.12 C ATOM 620 O ALA A 39 -10.056 -11.690 25.328 1.00 44.04 O ATOM 621 CB ALA A 39 -11.541 -13.596 27.487 1.00 12.31 C ATOM 0 H ALA A 39 -9.493 -14.564 28.452 1.00 51.41 H new ATOM 0 HA ALA A 39 -10.384 -14.176 25.785 1.00 63.44 H new ATOM 0 HB1 ALA A 39 -12.288 -13.064 26.898 1.00 12.31 H new ATOM 0 HB2 ALA A 39 -11.885 -14.612 27.677 1.00 12.31 H new ATOM 0 HB3 ALA A 39 -11.392 -13.080 28.435 1.00 12.31 H new ATOM 627 N TRP A 40 -9.027 -11.629 27.331 1.00 21.45 N ATOM 628 CA TRP A 40 -8.510 -10.278 27.157 1.00 64.40 C ATOM 629 C TRP A 40 -7.545 -10.215 25.979 1.00 11.24 C ATOM 630 O TRP A 40 -7.635 -9.324 25.136 1.00 3.30 O ATOM 631 CB TRP A 40 -7.801 -9.817 28.432 1.00 22.34 C ATOM 632 CG TRP A 40 -7.514 -8.347 28.457 1.00 24.04 C ATOM 633 CD1 TRP A 40 -6.298 -7.753 28.632 1.00 14.34 C ATOM 634 CD2 TRP A 40 -8.462 -7.287 28.303 1.00 71.33 C ATOM 635 NE1 TRP A 40 -6.432 -6.387 28.597 1.00 2.03 N ATOM 636 CE2 TRP A 40 -7.752 -6.075 28.395 1.00 22.04 C ATOM 637 CE3 TRP A 40 -9.843 -7.245 28.094 1.00 10.53 C ATOM 638 CZ2 TRP A 40 -8.377 -4.836 28.288 1.00 13.34 C ATOM 639 CZ3 TRP A 40 -10.462 -6.014 27.987 1.00 12.25 C ATOM 640 CH2 TRP A 40 -9.730 -4.825 28.084 1.00 72.40 C ATOM 0 H TRP A 40 -8.777 -12.063 28.220 1.00 21.45 H new ATOM 0 HA TRP A 40 -9.351 -9.615 26.953 1.00 64.40 H new ATOM 0 HB2 TRP A 40 -8.417 -10.074 29.294 1.00 22.34 H new ATOM 0 HB3 TRP A 40 -6.864 -10.364 28.535 1.00 22.34 H new ATOM 0 HD1 TRP A 40 -5.367 -8.280 28.777 1.00 14.34 H new ATOM 0 HE1 TRP A 40 -5.673 -5.714 28.704 1.00 2.03 H new ATOM 0 HE3 TRP A 40 -10.416 -8.157 28.018 1.00 10.53 H new ATOM 0 HZ2 TRP A 40 -7.815 -3.917 28.363 1.00 13.34 H new ATOM 0 HZ3 TRP A 40 -11.529 -5.969 27.826 1.00 12.25 H new ATOM 0 HH2 TRP A 40 -10.244 -3.879 27.996 1.00 72.40 H new ATOM 651 N ALA A 41 -6.622 -11.171 25.929 1.00 22.20 N ATOM 652 CA ALA A 41 -5.637 -11.228 24.856 1.00 53.14 C ATOM 653 C ALA A 41 -6.313 -11.304 23.490 1.00 42.33 C ATOM 654 O ALA A 41 -5.715 -10.957 22.472 1.00 53.05 O ATOM 655 CB ALA A 41 -4.702 -12.412 25.061 1.00 23.01 C ATOM 0 H ALA A 41 -6.536 -11.917 26.620 1.00 22.20 H new ATOM 0 HA ALA A 41 -5.050 -10.310 24.884 1.00 53.14 H new ATOM 0 HB1 ALA A 41 -3.971 -12.443 24.253 1.00 23.01 H new ATOM 0 HB2 ALA A 41 -4.184 -12.306 26.014 1.00 23.01 H new ATOM 0 HB3 ALA A 41 -5.280 -13.336 25.063 1.00 23.01 H new ATOM 661 N GLN A 42 -7.569 -11.743 23.475 1.00 45.32 N ATOM 662 CA GLN A 42 -8.325 -11.844 22.233 1.00 24.31 C ATOM 663 C GLN A 42 -8.906 -10.484 21.863 1.00 23.11 C ATOM 664 O GLN A 42 -8.991 -10.132 20.686 1.00 73.11 O ATOM 665 CB GLN A 42 -9.443 -12.880 22.366 1.00 64.34 C ATOM 666 CG GLN A 42 -8.995 -14.180 23.014 1.00 12.21 C ATOM 667 CD GLN A 42 -9.757 -15.384 22.495 1.00 5.23 C ATOM 668 OE1 GLN A 42 -10.284 -15.366 21.383 1.00 75.14 O ATOM 669 NE2 GLN A 42 -9.820 -16.438 23.300 1.00 44.42 N ATOM 0 H GLN A 42 -8.082 -12.033 24.307 1.00 45.32 H new ATOM 0 HA GLN A 42 -7.650 -12.167 21.441 1.00 24.31 H new ATOM 0 HB2 GLN A 42 -10.255 -12.452 22.954 1.00 64.34 H new ATOM 0 HB3 GLN A 42 -9.845 -13.097 21.376 1.00 64.34 H new ATOM 0 HG2 GLN A 42 -7.930 -14.323 22.833 1.00 12.21 H new ATOM 0 HG3 GLN A 42 -9.128 -14.108 24.093 1.00 12.21 H new ATOM 0 HE21 GLN A 42 -9.368 -16.409 24.214 1.00 44.42 H new ATOM 0 HE22 GLN A 42 -10.320 -17.276 23.004 1.00 44.42 H new ATOM 678 N TRP A 43 -9.291 -9.715 22.878 1.00 55.12 N ATOM 679 CA TRP A 43 -9.848 -8.386 22.659 1.00 54.33 C ATOM 680 C TRP A 43 -8.748 -7.420 22.232 1.00 32.20 C ATOM 681 O TRP A 43 -8.875 -6.728 21.224 1.00 45.45 O ATOM 682 CB TRP A 43 -10.539 -7.871 23.929 1.00 21.24 C ATOM 683 CG TRP A 43 -10.661 -6.376 23.978 1.00 14.31 C ATOM 684 CD1 TRP A 43 -10.106 -5.538 24.902 1.00 42.10 C ATOM 685 CD2 TRP A 43 -11.373 -5.542 23.055 1.00 45.21 C ATOM 686 NE1 TRP A 43 -10.431 -4.235 24.613 1.00 3.05 N ATOM 687 CE2 TRP A 43 -11.209 -4.211 23.484 1.00 43.44 C ATOM 688 CE3 TRP A 43 -12.134 -5.790 21.909 1.00 21.12 C ATOM 689 CZ2 TRP A 43 -11.778 -3.134 22.807 1.00 41.34 C ATOM 690 CZ3 TRP A 43 -12.698 -4.721 21.239 1.00 23.33 C ATOM 691 CH2 TRP A 43 -12.516 -3.408 21.688 1.00 23.41 C ATOM 0 H TRP A 43 -9.227 -9.990 23.858 1.00 55.12 H new ATOM 0 HA TRP A 43 -10.592 -8.451 21.865 1.00 54.33 H new ATOM 0 HB2 TRP A 43 -11.534 -8.311 23.996 1.00 21.24 H new ATOM 0 HB3 TRP A 43 -9.980 -8.211 24.801 1.00 21.24 H new ATOM 0 HD1 TRP A 43 -9.500 -5.854 25.738 1.00 42.10 H new ATOM 0 HE1 TRP A 43 -10.141 -3.418 25.151 1.00 3.05 H new ATOM 0 HE3 TRP A 43 -12.279 -6.799 21.553 1.00 21.12 H new ATOM 0 HZ2 TRP A 43 -11.641 -2.120 23.153 1.00 41.34 H new ATOM 0 HZ3 TRP A 43 -13.289 -4.902 20.354 1.00 23.33 H new ATOM 0 HH2 TRP A 43 -12.967 -2.594 21.140 1.00 23.41 H new ATOM 702 N GLN A 44 -7.668 -7.380 23.011 1.00 51.52 N ATOM 703 CA GLN A 44 -6.540 -6.500 22.720 1.00 3.30 C ATOM 704 C GLN A 44 -6.152 -6.579 21.244 1.00 74.45 C ATOM 705 O GLN A 44 -5.899 -5.561 20.600 1.00 32.54 O ATOM 706 CB GLN A 44 -5.342 -6.869 23.598 1.00 73.54 C ATOM 707 CG GLN A 44 -5.623 -6.762 25.091 1.00 4.42 C ATOM 708 CD GLN A 44 -6.056 -5.370 25.507 1.00 41.44 C ATOM 709 OE1 GLN A 44 -7.247 -5.057 25.525 1.00 2.02 O ATOM 710 NE2 GLN A 44 -5.091 -4.524 25.847 1.00 2.33 N ATOM 0 H GLN A 44 -7.551 -7.948 23.850 1.00 51.52 H new ATOM 0 HA GLN A 44 -6.842 -5.476 22.940 1.00 3.30 H new ATOM 0 HB2 GLN A 44 -5.034 -7.889 23.367 1.00 73.54 H new ATOM 0 HB3 GLN A 44 -4.504 -6.218 23.347 1.00 73.54 H new ATOM 0 HG2 GLN A 44 -6.401 -7.476 25.362 1.00 4.42 H new ATOM 0 HG3 GLN A 44 -4.727 -7.040 25.646 1.00 4.42 H new ATOM 0 HE21 GLN A 44 -4.116 -4.824 25.818 1.00 2.33 H new ATOM 0 HE22 GLN A 44 -5.324 -3.574 26.137 1.00 2.33 H new ATOM 719 N HIS A 45 -6.117 -7.799 20.716 1.00 5.13 N ATOM 720 CA HIS A 45 -5.771 -8.025 19.315 1.00 12.51 C ATOM 721 C HIS A 45 -6.778 -7.338 18.397 1.00 52.13 C ATOM 722 O HIS A 45 -6.407 -6.720 17.399 1.00 22.04 O ATOM 723 CB HIS A 45 -5.726 -9.530 19.024 1.00 61.45 C ATOM 724 CG HIS A 45 -5.648 -9.870 17.566 1.00 44.53 C ATOM 725 ND1 HIS A 45 -4.457 -10.016 16.887 1.00 20.33 N ATOM 726 CD2 HIS A 45 -6.626 -10.102 16.658 1.00 31.41 C ATOM 727 CE1 HIS A 45 -4.703 -10.321 15.626 1.00 42.21 C ATOM 728 NE2 HIS A 45 -6.012 -10.381 15.462 1.00 45.21 N ATOM 0 H HIS A 45 -6.325 -8.650 21.239 1.00 5.13 H new ATOM 0 HA HIS A 45 -4.787 -7.598 19.125 1.00 12.51 H new ATOM 0 HB2 HIS A 45 -4.864 -9.962 19.533 1.00 61.45 H new ATOM 0 HB3 HIS A 45 -6.615 -9.998 19.448 1.00 61.45 H new ATOM 0 HD2 HIS A 45 -7.690 -10.073 16.841 1.00 31.41 H new ATOM 0 HE1 HIS A 45 -3.961 -10.492 14.860 1.00 42.21 H new ATOM 0 HE2 HIS A 45 -6.490 -10.599 14.588 1.00 45.21 H new ATOM 736 N LYS A 46 -8.055 -7.451 18.744 1.00 55.53 N ATOM 737 CA LYS A 46 -9.118 -6.839 17.956 1.00 40.11 C ATOM 738 C LYS A 46 -9.210 -5.342 18.239 1.00 73.41 C ATOM 739 O LYS A 46 -9.689 -4.571 17.410 1.00 51.20 O ATOM 740 CB LYS A 46 -10.454 -7.517 18.267 1.00 2.14 C ATOM 741 CG LYS A 46 -11.628 -6.940 17.491 1.00 34.23 C ATOM 742 CD LYS A 46 -12.043 -7.850 16.345 1.00 13.22 C ATOM 743 CE LYS A 46 -13.481 -7.593 15.921 1.00 12.15 C ATOM 744 NZ LYS A 46 -14.385 -8.707 16.318 1.00 74.13 N ATOM 0 H LYS A 46 -8.379 -7.961 19.566 1.00 55.53 H new ATOM 0 HA LYS A 46 -8.886 -6.973 16.900 1.00 40.11 H new ATOM 0 HB2 LYS A 46 -10.371 -8.581 18.046 1.00 2.14 H new ATOM 0 HB3 LYS A 46 -10.657 -7.428 19.334 1.00 2.14 H new ATOM 0 HG2 LYS A 46 -12.473 -6.793 18.164 1.00 34.23 H new ATOM 0 HG3 LYS A 46 -11.359 -5.959 17.099 1.00 34.23 H new ATOM 0 HD2 LYS A 46 -11.379 -7.693 15.495 1.00 13.22 H new ATOM 0 HD3 LYS A 46 -11.932 -8.891 16.648 1.00 13.22 H new ATOM 0 HE2 LYS A 46 -13.831 -6.664 16.370 1.00 12.15 H new ATOM 0 HE3 LYS A 46 -13.522 -7.460 14.840 1.00 12.15 H new ATOM 0 HZ1 LYS A 46 -15.373 -8.389 16.262 1.00 74.13 H new ATOM 0 HZ2 LYS A 46 -14.244 -9.514 15.677 1.00 74.13 H new ATOM 0 HZ3 LYS A 46 -14.170 -8.998 17.293 1.00 74.13 H new ATOM 758 N GLN A 47 -8.744 -4.940 19.416 1.00 52.34 N ATOM 759 CA GLN A 47 -8.769 -3.539 19.813 1.00 41.35 C ATOM 760 C GLN A 47 -7.846 -2.704 18.931 1.00 55.42 C ATOM 761 O GLN A 47 -8.251 -1.675 18.389 1.00 61.23 O ATOM 762 CB GLN A 47 -8.358 -3.401 21.278 1.00 50.34 C ATOM 763 CG GLN A 47 -8.389 -1.971 21.786 1.00 75.45 C ATOM 764 CD GLN A 47 -7.503 -1.759 22.996 1.00 54.04 C ATOM 765 OE1 GLN A 47 -6.601 -0.922 22.983 1.00 60.30 O ATOM 766 NE2 GLN A 47 -7.756 -2.519 24.056 1.00 24.34 N ATOM 0 H GLN A 47 -8.343 -5.567 20.113 1.00 52.34 H new ATOM 0 HA GLN A 47 -9.787 -3.169 19.690 1.00 41.35 H new ATOM 0 HB2 GLN A 47 -9.022 -4.010 21.892 1.00 50.34 H new ATOM 0 HB3 GLN A 47 -7.352 -3.801 21.403 1.00 50.34 H new ATOM 0 HG2 GLN A 47 -8.073 -1.300 20.988 1.00 75.45 H new ATOM 0 HG3 GLN A 47 -9.414 -1.703 22.041 1.00 75.45 H new ATOM 0 HE21 GLN A 47 -8.514 -3.201 24.025 1.00 24.34 H new ATOM 0 HE22 GLN A 47 -7.193 -2.420 24.901 1.00 24.34 H new ATOM 775 N THR A 48 -6.598 -3.147 18.802 1.00 2.31 N ATOM 776 CA THR A 48 -5.612 -2.434 17.996 1.00 41.14 C ATOM 777 C THR A 48 -6.114 -2.208 16.571 1.00 32.32 C ATOM 778 O THR A 48 -5.932 -1.128 16.006 1.00 11.51 O ATOM 779 CB THR A 48 -4.283 -3.197 17.978 1.00 74.14 C ATOM 780 OG1 THR A 48 -3.274 -2.438 17.332 1.00 65.15 O ATOM 781 CG2 THR A 48 -4.363 -4.536 17.279 1.00 22.44 C ATOM 0 H THR A 48 -6.246 -3.996 19.245 1.00 2.31 H new ATOM 0 HA THR A 48 -5.452 -1.457 18.453 1.00 41.14 H new ATOM 0 HB THR A 48 -4.041 -3.368 19.027 1.00 74.14 H new ATOM 0 HG1 THR A 48 -2.434 -2.943 17.333 1.00 65.15 H new ATOM 0 HG21 THR A 48 -3.386 -5.019 17.305 1.00 22.44 H new ATOM 0 HG22 THR A 48 -5.094 -5.167 17.785 1.00 22.44 H new ATOM 0 HG23 THR A 48 -4.667 -4.388 16.243 1.00 22.44 H new ATOM 789 N MET A 49 -6.746 -3.223 15.990 1.00 63.31 N ATOM 790 CA MET A 49 -7.268 -3.112 14.631 1.00 24.21 C ATOM 791 C MET A 49 -8.572 -2.321 14.613 1.00 40.42 C ATOM 792 O MET A 49 -8.885 -1.651 13.630 1.00 5.35 O ATOM 793 CB MET A 49 -7.471 -4.494 14.002 1.00 25.43 C ATOM 794 CG MET A 49 -8.235 -5.479 14.873 1.00 13.45 C ATOM 795 SD MET A 49 -7.584 -7.156 14.737 1.00 74.20 S ATOM 796 CE MET A 49 -7.725 -7.429 12.972 1.00 41.13 C ATOM 0 H MET A 49 -6.909 -4.126 16.435 1.00 63.31 H new ATOM 0 HA MET A 49 -6.530 -2.574 14.036 1.00 24.21 H new ATOM 0 HB2 MET A 49 -8.003 -4.375 13.058 1.00 25.43 H new ATOM 0 HB3 MET A 49 -6.495 -4.918 13.766 1.00 25.43 H new ATOM 0 HG2 MET A 49 -8.187 -5.155 15.913 1.00 13.45 H new ATOM 0 HG3 MET A 49 -9.287 -5.475 14.587 1.00 13.45 H new ATOM 0 HE1 MET A 49 -7.584 -8.488 12.755 1.00 41.13 H new ATOM 0 HE2 MET A 49 -8.713 -7.118 12.634 1.00 41.13 H new ATOM 0 HE3 MET A 49 -6.964 -6.847 12.452 1.00 41.13 H new ATOM 806 N LEU A 50 -9.319 -2.390 15.709 1.00 10.12 N ATOM 807 CA LEU A 50 -10.578 -1.662 15.817 1.00 72.50 C ATOM 808 C LEU A 50 -10.321 -0.163 15.817 1.00 24.05 C ATOM 809 O LEU A 50 -11.154 0.619 15.373 1.00 31.33 O ATOM 810 CB LEU A 50 -11.322 -2.064 17.091 1.00 35.02 C ATOM 811 CG LEU A 50 -12.265 -3.256 16.943 1.00 62.32 C ATOM 812 CD1 LEU A 50 -12.831 -3.657 18.295 1.00 23.33 C ATOM 813 CD2 LEU A 50 -13.388 -2.931 15.971 1.00 64.03 C ATOM 0 H LEU A 50 -9.076 -2.940 16.533 1.00 10.12 H new ATOM 0 HA LEU A 50 -11.197 -1.915 14.956 1.00 72.50 H new ATOM 0 HB2 LEU A 50 -10.589 -2.295 17.864 1.00 35.02 H new ATOM 0 HB3 LEU A 50 -11.897 -1.207 17.443 1.00 35.02 H new ATOM 0 HG LEU A 50 -11.697 -4.096 16.543 1.00 62.32 H new ATOM 0 HD11 LEU A 50 -13.501 -4.508 18.171 1.00 23.33 H new ATOM 0 HD12 LEU A 50 -12.015 -3.932 18.964 1.00 23.33 H new ATOM 0 HD13 LEU A 50 -13.383 -2.819 18.721 1.00 23.33 H new ATOM 0 HD21 LEU A 50 -14.050 -3.792 15.878 1.00 64.03 H new ATOM 0 HD22 LEU A 50 -13.954 -2.077 16.342 1.00 64.03 H new ATOM 0 HD23 LEU A 50 -12.966 -2.691 14.995 1.00 64.03 H new ATOM 825 N ILE A 51 -9.155 0.228 16.315 1.00 21.21 N ATOM 826 CA ILE A 51 -8.777 1.632 16.369 1.00 51.32 C ATOM 827 C ILE A 51 -8.189 2.082 15.037 1.00 51.43 C ATOM 828 O ILE A 51 -8.414 3.208 14.593 1.00 23.00 O ATOM 829 CB ILE A 51 -7.758 1.884 17.499 1.00 73.01 C ATOM 830 CG1 ILE A 51 -8.377 1.524 18.849 1.00 34.51 C ATOM 831 CG2 ILE A 51 -7.277 3.330 17.492 1.00 5.23 C ATOM 832 CD1 ILE A 51 -7.449 1.746 20.022 1.00 32.24 C ATOM 0 H ILE A 51 -8.453 -0.411 16.688 1.00 21.21 H new ATOM 0 HA ILE A 51 -9.677 2.211 16.573 1.00 51.32 H new ATOM 0 HB ILE A 51 -6.890 1.247 17.330 1.00 73.01 H new ATOM 0 HG12 ILE A 51 -9.280 2.117 18.994 1.00 34.51 H new ATOM 0 HG13 ILE A 51 -8.682 0.478 18.831 1.00 34.51 H new ATOM 0 HG21 ILE A 51 -6.560 3.479 18.299 1.00 5.23 H new ATOM 0 HG22 ILE A 51 -6.800 3.550 16.537 1.00 5.23 H new ATOM 0 HG23 ILE A 51 -8.127 3.997 17.635 1.00 5.23 H new ATOM 0 HD11 ILE A 51 -7.957 1.469 20.946 1.00 32.24 H new ATOM 0 HD12 ILE A 51 -6.556 1.132 19.901 1.00 32.24 H new ATOM 0 HD13 ILE A 51 -7.164 2.797 20.066 1.00 32.24 H new ATOM 844 N ASN A 52 -7.431 1.194 14.407 1.00 53.30 N ATOM 845 CA ASN A 52 -6.806 1.495 13.128 1.00 52.52 C ATOM 846 C ASN A 52 -7.835 1.509 12.001 1.00 23.31 C ATOM 847 O ASN A 52 -7.879 2.443 11.199 1.00 63.50 O ATOM 848 CB ASN A 52 -5.715 0.471 12.823 1.00 74.33 C ATOM 849 CG ASN A 52 -4.413 0.784 13.533 1.00 12.23 C ATOM 850 OD1 ASN A 52 -4.128 1.938 13.854 1.00 63.13 O ATOM 851 ND2 ASN A 52 -3.613 -0.246 13.782 1.00 75.53 N ATOM 0 H ASN A 52 -7.235 0.258 14.762 1.00 53.30 H new ATOM 0 HA ASN A 52 -6.361 2.488 13.196 1.00 52.52 H new ATOM 0 HB2 ASN A 52 -6.058 -0.520 13.119 1.00 74.33 H new ATOM 0 HB3 ASN A 52 -5.541 0.440 11.748 1.00 74.33 H new ATOM 0 HD21 ASN A 52 -2.723 -0.097 14.257 1.00 75.53 H new ATOM 0 HD22 ASN A 52 -3.889 -1.186 13.498 1.00 75.53 H new ATOM 858 N GLU A 53 -8.657 0.466 11.940 1.00 22.35 N ATOM 859 CA GLU A 53 -9.680 0.358 10.904 1.00 2.12 C ATOM 860 C GLU A 53 -10.766 1.416 11.081 1.00 0.01 C ATOM 861 O GLU A 53 -11.067 2.168 10.153 1.00 44.44 O ATOM 862 CB GLU A 53 -10.304 -1.038 10.915 1.00 54.44 C ATOM 863 CG GLU A 53 -11.098 -1.356 9.657 1.00 72.53 C ATOM 864 CD GLU A 53 -10.243 -1.984 8.572 1.00 60.14 C ATOM 865 OE1 GLU A 53 -9.032 -1.685 8.522 1.00 3.25 O ATOM 866 OE2 GLU A 53 -10.788 -2.775 7.773 1.00 64.12 O ATOM 0 H GLU A 53 -8.635 -0.316 12.595 1.00 22.35 H new ATOM 0 HA GLU A 53 -9.196 0.526 9.942 1.00 2.12 H new ATOM 0 HB2 GLU A 53 -9.514 -1.780 11.034 1.00 54.44 H new ATOM 0 HB3 GLU A 53 -10.959 -1.128 11.781 1.00 54.44 H new ATOM 0 HG2 GLU A 53 -11.915 -2.033 9.908 1.00 72.53 H new ATOM 0 HG3 GLU A 53 -11.549 -0.440 9.275 1.00 72.53 H new ATOM 873 N LYS A 54 -11.352 1.475 12.274 1.00 2.21 N ATOM 874 CA LYS A 54 -12.403 2.449 12.554 1.00 51.31 C ATOM 875 C LYS A 54 -11.821 3.854 12.693 1.00 13.10 C ATOM 876 O LYS A 54 -12.552 4.844 12.673 1.00 20.24 O ATOM 877 CB LYS A 54 -13.168 2.076 13.828 1.00 24.31 C ATOM 878 CG LYS A 54 -14.158 0.934 13.645 1.00 71.11 C ATOM 879 CD LYS A 54 -13.469 -0.422 13.621 1.00 44.52 C ATOM 880 CE LYS A 54 -14.166 -1.384 12.673 1.00 52.22 C ATOM 881 NZ LYS A 54 -14.090 -0.926 11.256 1.00 54.31 N ATOM 0 H LYS A 54 -11.119 0.865 13.057 1.00 2.21 H new ATOM 0 HA LYS A 54 -13.096 2.438 11.713 1.00 51.31 H new ATOM 0 HB2 LYS A 54 -12.452 1.801 14.602 1.00 24.31 H new ATOM 0 HB3 LYS A 54 -13.705 2.954 14.187 1.00 24.31 H new ATOM 0 HG2 LYS A 54 -14.888 0.955 14.454 1.00 71.11 H new ATOM 0 HG3 LYS A 54 -14.708 1.077 12.715 1.00 71.11 H new ATOM 0 HD2 LYS A 54 -12.430 -0.298 13.316 1.00 44.52 H new ATOM 0 HD3 LYS A 54 -13.458 -0.844 14.626 1.00 44.52 H new ATOM 0 HE2 LYS A 54 -13.712 -2.371 12.760 1.00 52.22 H new ATOM 0 HE3 LYS A 54 -15.211 -1.487 12.965 1.00 52.22 H new ATOM 0 HZ1 LYS A 54 -14.108 -1.751 10.623 1.00 54.31 H new ATOM 0 HZ2 LYS A 54 -14.902 -0.311 11.046 1.00 54.31 H new ATOM 0 HZ3 LYS A 54 -13.207 -0.396 11.109 1.00 54.31 H new ATOM 895 N LYS A 55 -10.499 3.935 12.832 1.00 43.42 N ATOM 896 CA LYS A 55 -9.817 5.217 12.971 1.00 74.11 C ATOM 897 C LYS A 55 -10.184 5.895 14.289 1.00 31.21 C ATOM 898 O LYS A 55 -10.769 6.979 14.298 1.00 5.25 O ATOM 899 CB LYS A 55 -10.161 6.134 11.794 1.00 72.23 C ATOM 900 CG LYS A 55 -10.033 5.464 10.435 1.00 12.00 C ATOM 901 CD LYS A 55 -8.630 5.616 9.863 1.00 1.15 C ATOM 902 CE LYS A 55 -8.650 6.275 8.491 1.00 24.22 C ATOM 903 NZ LYS A 55 -7.276 6.497 7.962 1.00 61.25 N ATOM 0 H LYS A 55 -9.879 3.125 12.851 1.00 43.42 H new ATOM 0 HA LYS A 55 -8.743 5.028 12.972 1.00 74.11 H new ATOM 0 HB2 LYS A 55 -11.182 6.497 11.915 1.00 72.23 H new ATOM 0 HB3 LYS A 55 -9.507 7.006 11.822 1.00 72.23 H new ATOM 0 HG2 LYS A 55 -10.276 4.405 10.527 1.00 12.00 H new ATOM 0 HG3 LYS A 55 -10.756 5.899 9.745 1.00 12.00 H new ATOM 0 HD2 LYS A 55 -8.022 6.211 10.544 1.00 1.15 H new ATOM 0 HD3 LYS A 55 -8.159 4.636 9.789 1.00 1.15 H new ATOM 0 HE2 LYS A 55 -9.210 5.649 7.796 1.00 24.22 H new ATOM 0 HE3 LYS A 55 -9.173 7.229 8.554 1.00 24.22 H new ATOM 0 HZ1 LYS A 55 -7.333 6.947 7.026 1.00 61.25 H new ATOM 0 HZ2 LYS A 55 -6.749 7.115 8.612 1.00 61.25 H new ATOM 0 HZ3 LYS A 55 -6.785 5.584 7.877 1.00 61.25 H new ATOM 917 N LEU A 56 -9.831 5.257 15.402 1.00 30.41 N ATOM 918 CA LEU A 56 -10.118 5.811 16.718 1.00 52.41 C ATOM 919 C LEU A 56 -8.926 6.626 17.226 1.00 51.14 C ATOM 920 O LEU A 56 -7.905 6.733 16.546 1.00 44.51 O ATOM 921 CB LEU A 56 -10.458 4.687 17.701 1.00 75.54 C ATOM 922 CG LEU A 56 -11.748 3.917 17.386 1.00 34.35 C ATOM 923 CD1 LEU A 56 -12.020 2.868 18.454 1.00 32.03 C ATOM 924 CD2 LEU A 56 -12.929 4.872 17.265 1.00 14.14 C ATOM 0 H LEU A 56 -9.347 4.359 15.417 1.00 30.41 H new ATOM 0 HA LEU A 56 -10.978 6.475 16.638 1.00 52.41 H new ATOM 0 HB2 LEU A 56 -9.628 3.981 17.723 1.00 75.54 H new ATOM 0 HB3 LEU A 56 -10.542 5.112 18.701 1.00 75.54 H new ATOM 0 HG LEU A 56 -11.617 3.410 16.430 1.00 34.35 H new ATOM 0 HD11 LEU A 56 -12.939 2.333 18.213 1.00 32.03 H new ATOM 0 HD12 LEU A 56 -11.189 2.164 18.492 1.00 32.03 H new ATOM 0 HD13 LEU A 56 -12.128 3.355 19.423 1.00 32.03 H new ATOM 0 HD21 LEU A 56 -13.833 4.306 17.042 1.00 14.14 H new ATOM 0 HD22 LEU A 56 -13.060 5.409 18.204 1.00 14.14 H new ATOM 0 HD23 LEU A 56 -12.740 5.585 16.463 1.00 14.14 H new ATOM 936 N ASN A 57 -9.061 7.199 18.420 1.00 32.03 N ATOM 937 CA ASN A 57 -7.995 8.005 19.011 1.00 20.43 C ATOM 938 C ASN A 57 -7.948 7.816 20.526 1.00 1.23 C ATOM 939 O ASN A 57 -8.835 8.275 21.246 1.00 1.02 O ATOM 940 CB ASN A 57 -8.201 9.485 18.676 1.00 15.31 C ATOM 941 CG ASN A 57 -6.922 10.161 18.223 1.00 61.42 C ATOM 942 OD1 ASN A 57 -6.214 9.658 17.352 1.00 54.21 O ATOM 943 ND2 ASN A 57 -6.620 11.310 18.817 1.00 70.12 N ATOM 0 H ASN A 57 -9.898 7.120 18.997 1.00 32.03 H new ATOM 0 HA ASN A 57 -7.045 7.673 18.591 1.00 20.43 H new ATOM 0 HB2 ASN A 57 -8.953 9.576 17.892 1.00 15.31 H new ATOM 0 HB3 ASN A 57 -8.590 10.002 19.553 1.00 15.31 H new ATOM 0 HD21 ASN A 57 -5.771 11.812 18.555 1.00 70.12 H new ATOM 0 HD22 ASN A 57 -7.237 11.691 19.535 1.00 70.12 H new ATOM 950 N MET A 58 -6.913 7.131 21.001 1.00 5.10 N ATOM 951 CA MET A 58 -6.759 6.869 22.433 1.00 4.22 C ATOM 952 C MET A 58 -6.607 8.162 23.230 1.00 4.32 C ATOM 953 O MET A 58 -6.860 8.186 24.434 1.00 31.45 O ATOM 954 CB MET A 58 -5.557 5.954 22.700 1.00 30.22 C ATOM 955 CG MET A 58 -4.365 6.202 21.786 1.00 34.55 C ATOM 956 SD MET A 58 -4.028 4.810 20.688 1.00 24.45 S ATOM 957 CE MET A 58 -5.652 4.521 19.989 1.00 24.34 C ATOM 0 H MET A 58 -6.168 6.747 20.419 1.00 5.10 H new ATOM 0 HA MET A 58 -7.668 6.367 22.763 1.00 4.22 H new ATOM 0 HB2 MET A 58 -5.240 6.083 23.735 1.00 30.22 H new ATOM 0 HB3 MET A 58 -5.874 4.917 22.591 1.00 30.22 H new ATOM 0 HG2 MET A 58 -4.550 7.094 21.188 1.00 34.55 H new ATOM 0 HG3 MET A 58 -3.482 6.403 22.393 1.00 34.55 H new ATOM 0 HE1 MET A 58 -5.682 3.530 19.536 1.00 24.34 H new ATOM 0 HE2 MET A 58 -6.403 4.583 20.776 1.00 24.34 H new ATOM 0 HE3 MET A 58 -5.860 5.274 19.228 1.00 24.34 H new ATOM 967 N MET A 59 -6.191 9.234 22.563 1.00 1.01 N ATOM 968 CA MET A 59 -6.011 10.516 23.234 1.00 74.53 C ATOM 969 C MET A 59 -7.346 11.231 23.413 1.00 71.54 C ATOM 970 O MET A 59 -7.527 12.001 24.356 1.00 44.32 O ATOM 971 CB MET A 59 -5.037 11.401 22.451 1.00 2.02 C ATOM 972 CG MET A 59 -3.872 11.902 23.288 1.00 24.22 C ATOM 973 SD MET A 59 -2.874 13.130 22.426 1.00 11.43 S ATOM 974 CE MET A 59 -1.241 12.730 23.043 1.00 3.04 C ATOM 0 H MET A 59 -5.974 9.241 21.566 1.00 1.01 H new ATOM 0 HA MET A 59 -5.592 10.322 24.221 1.00 74.53 H new ATOM 0 HB2 MET A 59 -4.649 10.839 21.601 1.00 2.02 H new ATOM 0 HB3 MET A 59 -5.579 12.256 22.047 1.00 2.02 H new ATOM 0 HG2 MET A 59 -4.254 12.334 24.213 1.00 24.22 H new ATOM 0 HG3 MET A 59 -3.241 11.058 23.567 1.00 24.22 H new ATOM 0 HE1 MET A 59 -0.509 13.406 22.600 1.00 3.04 H new ATOM 0 HE2 MET A 59 -1.225 12.838 24.127 1.00 3.04 H new ATOM 0 HE3 MET A 59 -0.993 11.702 22.777 1.00 3.04 H new ATOM 984 N ASN A 60 -8.283 10.968 22.506 1.00 72.24 N ATOM 985 CA ASN A 60 -9.602 11.583 22.570 1.00 13.25 C ATOM 986 C ASN A 60 -10.582 10.681 23.313 1.00 2.34 C ATOM 987 O ASN A 60 -10.744 9.509 22.972 1.00 73.54 O ATOM 988 CB ASN A 60 -10.123 11.877 21.162 1.00 54.23 C ATOM 989 CG ASN A 60 -10.408 13.350 20.947 1.00 60.15 C ATOM 990 OD1 ASN A 60 -9.605 14.210 21.310 1.00 45.25 O ATOM 991 ND2 ASN A 60 -11.557 13.651 20.354 1.00 43.22 N ATOM 0 H ASN A 60 -8.152 10.333 21.719 1.00 72.24 H new ATOM 0 HA ASN A 60 -9.513 12.522 23.116 1.00 13.25 H new ATOM 0 HB2 ASN A 60 -9.390 11.541 20.429 1.00 54.23 H new ATOM 0 HB3 ASN A 60 -11.034 11.304 20.988 1.00 54.23 H new ATOM 0 HD21 ASN A 60 -11.803 14.626 20.183 1.00 43.22 H new ATOM 0 HD22 ASN A 60 -12.194 12.907 20.069 1.00 43.22 H new ATOM 998 N ALA A 61 -11.227 11.234 24.334 1.00 10.14 N ATOM 999 CA ALA A 61 -12.186 10.479 25.129 1.00 75.00 C ATOM 1000 C ALA A 61 -13.386 10.047 24.291 1.00 54.22 C ATOM 1001 O ALA A 61 -14.013 9.029 24.575 1.00 53.14 O ATOM 1002 CB ALA A 61 -12.646 11.305 26.320 1.00 34.33 C ATOM 0 H ALA A 61 -11.103 12.202 24.630 1.00 10.14 H new ATOM 0 HA ALA A 61 -11.688 9.579 25.489 1.00 75.00 H new ATOM 0 HB1 ALA A 61 -13.363 10.730 26.907 1.00 34.33 H new ATOM 0 HB2 ALA A 61 -11.787 11.557 26.942 1.00 34.33 H new ATOM 0 HB3 ALA A 61 -13.119 12.221 25.966 1.00 34.33 H new ATOM 1008 N GLU A 62 -13.703 10.833 23.265 1.00 55.43 N ATOM 1009 CA GLU A 62 -14.833 10.535 22.390 1.00 72.21 C ATOM 1010 C GLU A 62 -14.688 9.162 21.740 1.00 14.54 C ATOM 1011 O GLU A 62 -15.656 8.411 21.630 1.00 50.50 O ATOM 1012 CB GLU A 62 -14.964 11.610 21.309 1.00 2.31 C ATOM 1013 CG GLU A 62 -16.315 11.610 20.615 1.00 22.12 C ATOM 1014 CD GLU A 62 -16.250 12.197 19.218 1.00 43.31 C ATOM 1015 OE1 GLU A 62 -15.405 11.742 18.420 1.00 1.12 O ATOM 1016 OE2 GLU A 62 -17.048 13.112 18.922 1.00 50.21 O ATOM 0 H GLU A 62 -13.193 11.681 23.019 1.00 55.43 H new ATOM 0 HA GLU A 62 -15.734 10.527 23.003 1.00 72.21 H new ATOM 0 HB2 GLU A 62 -14.795 12.589 21.759 1.00 2.31 H new ATOM 0 HB3 GLU A 62 -14.182 11.462 20.564 1.00 2.31 H new ATOM 0 HG2 GLU A 62 -16.691 10.589 20.559 1.00 22.12 H new ATOM 0 HG3 GLU A 62 -17.027 12.180 21.212 1.00 22.12 H new ATOM 1023 N HIS A 63 -13.471 8.836 21.318 1.00 50.11 N ATOM 1024 CA HIS A 63 -13.204 7.549 20.686 1.00 60.41 C ATOM 1025 C HIS A 63 -12.919 6.479 21.732 1.00 12.50 C ATOM 1026 O HIS A 63 -13.341 5.331 21.594 1.00 40.22 O ATOM 1027 CB HIS A 63 -12.025 7.659 19.726 1.00 24.44 C ATOM 1028 CG HIS A 63 -12.335 8.429 18.484 1.00 10.20 C ATOM 1029 ND1 HIS A 63 -11.442 8.566 17.444 1.00 53.10 N ATOM 1030 CD2 HIS A 63 -13.449 9.101 18.110 1.00 33.45 C ATOM 1031 CE1 HIS A 63 -11.988 9.287 16.486 1.00 31.32 C ATOM 1032 NE2 HIS A 63 -13.208 9.625 16.864 1.00 33.54 N ATOM 0 H HIS A 63 -12.656 9.443 21.402 1.00 50.11 H new ATOM 0 HA HIS A 63 -14.093 7.261 20.125 1.00 60.41 H new ATOM 0 HB2 HIS A 63 -11.191 8.136 20.241 1.00 24.44 H new ATOM 0 HB3 HIS A 63 -11.697 6.657 19.450 1.00 24.44 H new ATOM 0 HD2 HIS A 63 -14.358 9.205 18.684 1.00 33.45 H new ATOM 0 HE1 HIS A 63 -11.518 9.556 15.551 1.00 31.32 H new ATOM 0 HE2 HIS A 63 -13.864 10.184 16.319 1.00 33.54 H new ATOM 1040 N ARG A 64 -12.202 6.865 22.781 1.00 13.31 N ATOM 1041 CA ARG A 64 -11.859 5.942 23.858 1.00 25.03 C ATOM 1042 C ARG A 64 -13.112 5.240 24.376 1.00 71.40 C ATOM 1043 O ARG A 64 -13.125 4.023 24.557 1.00 61.24 O ATOM 1044 CB ARG A 64 -11.171 6.688 25.002 1.00 40.44 C ATOM 1045 CG ARG A 64 -10.142 5.851 25.745 1.00 33.11 C ATOM 1046 CD ARG A 64 -8.726 6.311 25.441 1.00 61.24 C ATOM 1047 NE ARG A 64 -7.770 5.851 26.445 1.00 14.00 N ATOM 1048 CZ ARG A 64 -7.659 6.380 27.661 1.00 25.11 C ATOM 1049 NH1 ARG A 64 -8.446 7.383 28.031 1.00 63.42 N ATOM 1050 NH2 ARG A 64 -6.760 5.903 28.511 1.00 33.54 N ATOM 0 H ARG A 64 -11.846 7.812 22.909 1.00 13.31 H new ATOM 0 HA ARG A 64 -11.173 5.194 23.462 1.00 25.03 H new ATOM 0 HB2 ARG A 64 -10.683 7.577 24.603 1.00 40.44 H new ATOM 0 HB3 ARG A 64 -11.928 7.029 25.709 1.00 40.44 H new ATOM 0 HG2 ARG A 64 -10.324 5.916 26.818 1.00 33.11 H new ATOM 0 HG3 ARG A 64 -10.253 4.803 25.466 1.00 33.11 H new ATOM 0 HD2 ARG A 64 -8.428 5.940 24.461 1.00 61.24 H new ATOM 0 HD3 ARG A 64 -8.702 7.400 25.391 1.00 61.24 H new ATOM 0 HE ARG A 64 -7.151 5.079 26.199 1.00 14.00 H new ATOM 0 HH11 ARG A 64 -9.141 7.752 27.382 1.00 63.42 H new ATOM 0 HH12 ARG A 64 -8.356 7.784 28.964 1.00 63.42 H new ATOM 0 HH21 ARG A 64 -6.154 5.131 28.233 1.00 33.54 H new ATOM 0 HH22 ARG A 64 -6.674 6.308 29.443 1.00 33.54 H new ATOM 1064 N LYS A 65 -14.166 6.020 24.600 1.00 13.21 N ATOM 1065 CA LYS A 65 -15.429 5.474 25.082 1.00 31.33 C ATOM 1066 C LYS A 65 -16.045 4.559 24.032 1.00 61.24 C ATOM 1067 O LYS A 65 -16.768 3.618 24.360 1.00 33.24 O ATOM 1068 CB LYS A 65 -16.404 6.603 25.430 1.00 52.43 C ATOM 1069 CG LYS A 65 -16.648 7.579 24.288 1.00 2.34 C ATOM 1070 CD LYS A 65 -18.118 7.952 24.171 1.00 51.14 C ATOM 1071 CE LYS A 65 -18.396 9.329 24.758 1.00 42.14 C ATOM 1072 NZ LYS A 65 -19.310 9.256 25.931 1.00 60.30 N ATOM 0 H LYS A 65 -14.170 7.030 24.456 1.00 13.21 H new ATOM 0 HA LYS A 65 -15.230 4.894 25.983 1.00 31.33 H new ATOM 0 HB2 LYS A 65 -17.356 6.167 25.733 1.00 52.43 H new ATOM 0 HB3 LYS A 65 -16.017 7.152 26.288 1.00 52.43 H new ATOM 0 HG2 LYS A 65 -16.055 8.480 24.447 1.00 2.34 H new ATOM 0 HG3 LYS A 65 -16.309 7.135 23.352 1.00 2.34 H new ATOM 0 HD2 LYS A 65 -18.415 7.936 23.123 1.00 51.14 H new ATOM 0 HD3 LYS A 65 -18.725 7.207 24.686 1.00 51.14 H new ATOM 0 HE2 LYS A 65 -17.456 9.793 25.058 1.00 42.14 H new ATOM 0 HE3 LYS A 65 -18.837 9.968 23.993 1.00 42.14 H new ATOM 0 HZ1 LYS A 65 -19.475 10.213 26.303 1.00 60.30 H new ATOM 0 HZ2 LYS A 65 -20.216 8.837 25.640 1.00 60.30 H new ATOM 0 HZ3 LYS A 65 -18.878 8.667 26.671 1.00 60.30 H new ATOM 1086 N LEU A 66 -15.743 4.837 22.766 1.00 15.23 N ATOM 1087 CA LEU A 66 -16.255 4.036 21.664 1.00 65.44 C ATOM 1088 C LEU A 66 -15.707 2.615 21.740 1.00 64.34 C ATOM 1089 O LEU A 66 -16.446 1.644 21.583 1.00 43.34 O ATOM 1090 CB LEU A 66 -15.879 4.675 20.324 1.00 3.13 C ATOM 1091 CG LEU A 66 -16.906 4.488 19.202 1.00 44.22 C ATOM 1092 CD1 LEU A 66 -17.624 5.797 18.910 1.00 44.03 C ATOM 1093 CD2 LEU A 66 -16.234 3.958 17.944 1.00 64.02 C ATOM 0 H LEU A 66 -15.145 5.613 22.481 1.00 15.23 H new ATOM 0 HA LEU A 66 -17.342 3.995 21.741 1.00 65.44 H new ATOM 0 HB2 LEU A 66 -15.724 5.743 20.479 1.00 3.13 H new ATOM 0 HB3 LEU A 66 -14.926 4.259 19.996 1.00 3.13 H new ATOM 0 HG LEU A 66 -17.644 3.757 19.532 1.00 44.22 H new ATOM 0 HD11 LEU A 66 -18.349 5.644 18.111 1.00 44.03 H new ATOM 0 HD12 LEU A 66 -18.140 6.137 19.808 1.00 44.03 H new ATOM 0 HD13 LEU A 66 -16.898 6.549 18.602 1.00 44.03 H new ATOM 0 HD21 LEU A 66 -16.979 3.832 17.159 1.00 64.02 H new ATOM 0 HD22 LEU A 66 -15.474 4.665 17.612 1.00 64.02 H new ATOM 0 HD23 LEU A 66 -15.767 2.997 18.158 1.00 64.02 H new ATOM 1105 N LEU A 67 -14.405 2.504 21.991 1.00 63.34 N ATOM 1106 CA LEU A 67 -13.757 1.200 22.099 1.00 22.20 C ATOM 1107 C LEU A 67 -14.453 0.343 23.147 1.00 1.33 C ATOM 1108 O LEU A 67 -14.764 -0.824 22.905 1.00 4.11 O ATOM 1109 CB LEU A 67 -12.279 1.367 22.466 1.00 1.32 C ATOM 1110 CG LEU A 67 -11.281 1.122 21.332 1.00 21.52 C ATOM 1111 CD1 LEU A 67 -9.885 0.946 21.896 1.00 44.30 C ATOM 1112 CD2 LEU A 67 -11.672 -0.097 20.508 1.00 25.32 C ATOM 0 H LEU A 67 -13.780 3.299 22.123 1.00 63.34 H new ATOM 0 HA LEU A 67 -13.829 0.703 21.132 1.00 22.20 H new ATOM 0 HB2 LEU A 67 -12.130 2.378 22.844 1.00 1.32 H new ATOM 0 HB3 LEU A 67 -12.047 0.684 23.283 1.00 1.32 H new ATOM 0 HG LEU A 67 -11.295 1.992 20.675 1.00 21.52 H new ATOM 0 HD11 LEU A 67 -9.183 0.772 21.081 1.00 44.30 H new ATOM 0 HD12 LEU A 67 -9.596 1.846 22.439 1.00 44.30 H new ATOM 0 HD13 LEU A 67 -9.872 0.093 22.575 1.00 44.30 H new ATOM 0 HD21 LEU A 67 -10.944 -0.246 19.710 1.00 25.32 H new ATOM 0 HD22 LEU A 67 -11.692 -0.978 21.149 1.00 25.32 H new ATOM 0 HD23 LEU A 67 -12.660 0.059 20.074 1.00 25.32 H new ATOM 1124 N GLU A 68 -14.707 0.936 24.308 1.00 45.01 N ATOM 1125 CA GLU A 68 -15.380 0.239 25.395 1.00 31.11 C ATOM 1126 C GLU A 68 -16.663 -0.421 24.897 1.00 33.44 C ATOM 1127 O GLU A 68 -17.128 -1.411 25.463 1.00 63.34 O ATOM 1128 CB GLU A 68 -15.703 1.222 26.522 1.00 31.53 C ATOM 1129 CG GLU A 68 -14.588 1.373 27.543 1.00 52.31 C ATOM 1130 CD GLU A 68 -14.741 2.624 28.385 1.00 75.24 C ATOM 1131 OE1 GLU A 68 -15.719 2.703 29.159 1.00 60.33 O ATOM 1132 OE2 GLU A 68 -13.884 3.526 28.270 1.00 41.25 O ATOM 0 H GLU A 68 -14.455 1.901 24.520 1.00 45.01 H new ATOM 0 HA GLU A 68 -14.715 -0.537 25.774 1.00 31.11 H new ATOM 0 HB2 GLU A 68 -15.921 2.198 26.089 1.00 31.53 H new ATOM 0 HB3 GLU A 68 -16.608 0.891 27.032 1.00 31.53 H new ATOM 0 HG2 GLU A 68 -14.575 0.499 28.194 1.00 52.31 H new ATOM 0 HG3 GLU A 68 -13.628 1.401 27.027 1.00 52.31 H new ATOM 1139 N GLN A 69 -17.227 0.135 23.828 1.00 45.54 N ATOM 1140 CA GLN A 69 -18.451 -0.392 23.240 1.00 31.33 C ATOM 1141 C GLN A 69 -18.175 -1.664 22.444 1.00 54.04 C ATOM 1142 O GLN A 69 -18.818 -2.692 22.654 1.00 73.31 O ATOM 1143 CB GLN A 69 -19.087 0.661 22.330 1.00 42.43 C ATOM 1144 CG GLN A 69 -20.531 0.356 21.963 1.00 52.05 C ATOM 1145 CD GLN A 69 -21.521 1.130 22.808 1.00 70.01 C ATOM 1146 OE1 GLN A 69 -22.255 1.980 22.304 1.00 75.11 O ATOM 1147 NE2 GLN A 69 -21.547 0.839 24.104 1.00 70.13 N ATOM 0 H GLN A 69 -16.852 0.955 23.351 1.00 45.54 H new ATOM 0 HA GLN A 69 -19.139 -0.638 24.049 1.00 31.33 H new ATOM 0 HB2 GLN A 69 -19.044 1.631 22.825 1.00 42.43 H new ATOM 0 HB3 GLN A 69 -18.498 0.743 21.416 1.00 42.43 H new ATOM 0 HG2 GLN A 69 -20.693 0.593 20.911 1.00 52.05 H new ATOM 0 HG3 GLN A 69 -20.715 -0.712 22.081 1.00 52.05 H new ATOM 0 HE21 GLN A 69 -20.921 0.127 24.479 1.00 70.13 H new ATOM 0 HE22 GLN A 69 -22.193 1.328 24.724 1.00 70.13 H new ATOM 1156 N GLU A 70 -17.215 -1.584 21.528 1.00 3.11 N ATOM 1157 CA GLU A 70 -16.852 -2.724 20.693 1.00 33.15 C ATOM 1158 C GLU A 70 -16.469 -3.933 21.543 1.00 4.01 C ATOM 1159 O GLU A 70 -16.985 -5.033 21.345 1.00 44.01 O ATOM 1160 CB GLU A 70 -15.690 -2.353 19.768 1.00 60.04 C ATOM 1161 CG GLU A 70 -15.989 -1.176 18.855 1.00 12.23 C ATOM 1162 CD GLU A 70 -16.831 -1.567 17.657 1.00 62.35 C ATOM 1163 OE1 GLU A 70 -16.511 -2.591 17.015 1.00 22.20 O ATOM 1164 OE2 GLU A 70 -17.809 -0.850 17.357 1.00 42.42 O ATOM 0 H GLU A 70 -16.673 -0.739 21.345 1.00 3.11 H new ATOM 0 HA GLU A 70 -17.722 -2.989 20.093 1.00 33.15 H new ATOM 0 HB2 GLU A 70 -14.815 -2.118 20.374 1.00 60.04 H new ATOM 0 HB3 GLU A 70 -15.432 -3.219 19.158 1.00 60.04 H new ATOM 0 HG2 GLU A 70 -16.508 -0.403 19.422 1.00 12.23 H new ATOM 0 HG3 GLU A 70 -15.051 -0.742 18.509 1.00 12.23 H new ATOM 1171 N MET A 71 -15.548 -3.721 22.481 1.00 72.11 N ATOM 1172 CA MET A 71 -15.078 -4.794 23.356 1.00 42.11 C ATOM 1173 C MET A 71 -16.234 -5.654 23.870 1.00 0.22 C ATOM 1174 O MET A 71 -16.131 -6.879 23.907 1.00 15.12 O ATOM 1175 CB MET A 71 -14.264 -4.212 24.523 1.00 44.14 C ATOM 1176 CG MET A 71 -14.947 -4.288 25.882 1.00 2.34 C ATOM 1177 SD MET A 71 -13.903 -3.672 27.209 1.00 23.31 S ATOM 1178 CE MET A 71 -15.076 -2.662 28.111 1.00 23.35 C ATOM 0 H MET A 71 -15.112 -2.815 22.655 1.00 72.11 H new ATOM 0 HA MET A 71 -14.430 -5.445 22.769 1.00 42.11 H new ATOM 0 HB2 MET A 71 -13.312 -4.739 24.581 1.00 44.14 H new ATOM 0 HB3 MET A 71 -14.038 -3.168 24.304 1.00 44.14 H new ATOM 0 HG2 MET A 71 -15.872 -3.712 25.854 1.00 2.34 H new ATOM 0 HG3 MET A 71 -15.222 -5.322 26.090 1.00 2.34 H new ATOM 0 HE1 MET A 71 -14.551 -1.835 28.590 1.00 23.35 H new ATOM 0 HE2 MET A 71 -15.822 -2.268 27.421 1.00 23.35 H new ATOM 0 HE3 MET A 71 -15.569 -3.268 28.871 1.00 23.35 H new ATOM 1188 N VAL A 72 -17.334 -5.016 24.260 1.00 73.42 N ATOM 1189 CA VAL A 72 -18.490 -5.750 24.758 1.00 11.44 C ATOM 1190 C VAL A 72 -18.934 -6.801 23.747 1.00 55.10 C ATOM 1191 O VAL A 72 -18.986 -7.990 24.054 1.00 31.33 O ATOM 1192 CB VAL A 72 -19.677 -4.815 25.070 1.00 43.11 C ATOM 1193 CG1 VAL A 72 -20.890 -5.607 25.551 1.00 1.44 C ATOM 1194 CG2 VAL A 72 -19.273 -3.775 26.101 1.00 54.21 C ATOM 0 H VAL A 72 -17.448 -4.003 24.241 1.00 73.42 H new ATOM 0 HA VAL A 72 -18.182 -6.235 25.684 1.00 11.44 H new ATOM 0 HB VAL A 72 -19.957 -4.303 24.149 1.00 43.11 H new ATOM 0 HG11 VAL A 72 -21.711 -4.922 25.763 1.00 1.44 H new ATOM 0 HG12 VAL A 72 -21.195 -6.311 24.777 1.00 1.44 H new ATOM 0 HG13 VAL A 72 -20.631 -6.155 26.457 1.00 1.44 H new ATOM 0 HG21 VAL A 72 -20.121 -3.123 26.311 1.00 54.21 H new ATOM 0 HG22 VAL A 72 -18.963 -4.274 27.019 1.00 54.21 H new ATOM 0 HG23 VAL A 72 -18.445 -3.181 25.714 1.00 54.21 H new ATOM 1204 N ASN A 73 -19.244 -6.352 22.536 1.00 64.34 N ATOM 1205 CA ASN A 73 -19.680 -7.253 21.472 1.00 33.53 C ATOM 1206 C ASN A 73 -18.705 -8.416 21.291 1.00 45.13 C ATOM 1207 O ASN A 73 -19.057 -9.449 20.721 1.00 11.01 O ATOM 1208 CB ASN A 73 -19.824 -6.486 20.152 1.00 64.34 C ATOM 1209 CG ASN A 73 -21.113 -6.820 19.426 1.00 32.25 C ATOM 1210 OD1 ASN A 73 -22.047 -7.365 20.014 1.00 4.54 O ATOM 1211 ND2 ASN A 73 -21.169 -6.494 18.140 1.00 43.31 N ATOM 0 H ASN A 73 -19.202 -5.370 22.265 1.00 64.34 H new ATOM 0 HA ASN A 73 -20.648 -7.662 21.760 1.00 33.53 H new ATOM 0 HB2 ASN A 73 -19.790 -5.415 20.352 1.00 64.34 H new ATOM 0 HB3 ASN A 73 -18.977 -6.717 19.507 1.00 64.34 H new ATOM 0 HD21 ASN A 73 -22.010 -6.694 17.599 1.00 43.31 H new ATOM 0 HD22 ASN A 73 -20.371 -6.043 17.693 1.00 43.31 H new ATOM 1218 N PHE A 74 -17.475 -8.238 21.767 1.00 74.22 N ATOM 1219 CA PHE A 74 -16.457 -9.273 21.648 1.00 43.41 C ATOM 1220 C PHE A 74 -16.373 -10.138 22.905 1.00 53.44 C ATOM 1221 O PHE A 74 -16.390 -11.366 22.822 1.00 24.31 O ATOM 1222 CB PHE A 74 -15.094 -8.639 21.367 1.00 54.04 C ATOM 1223 CG PHE A 74 -14.083 -9.618 20.845 1.00 3.15 C ATOM 1224 CD1 PHE A 74 -14.203 -10.139 19.568 1.00 73.25 C ATOM 1225 CD2 PHE A 74 -13.016 -10.018 21.632 1.00 23.30 C ATOM 1226 CE1 PHE A 74 -13.278 -11.044 19.085 1.00 32.35 C ATOM 1227 CE2 PHE A 74 -12.087 -10.923 21.154 1.00 1.20 C ATOM 1228 CZ PHE A 74 -12.218 -11.437 19.878 1.00 14.42 C ATOM 0 H PHE A 74 -17.162 -7.389 22.237 1.00 74.22 H new ATOM 0 HA PHE A 74 -16.742 -9.918 20.817 1.00 43.41 H new ATOM 0 HB2 PHE A 74 -15.217 -7.833 20.643 1.00 54.04 H new ATOM 0 HB3 PHE A 74 -14.714 -8.188 22.284 1.00 54.04 H new ATOM 0 HD1 PHE A 74 -15.029 -9.834 18.942 1.00 73.25 H new ATOM 0 HD2 PHE A 74 -12.909 -9.619 22.630 1.00 23.30 H new ATOM 0 HE1 PHE A 74 -13.384 -11.444 18.087 1.00 32.35 H new ATOM 0 HE2 PHE A 74 -11.259 -11.228 21.777 1.00 1.20 H new ATOM 0 HZ PHE A 74 -11.493 -12.144 19.502 1.00 14.42 H new ATOM 1238 N LEU A 75 -16.254 -9.494 24.065 1.00 52.12 N ATOM 1239 CA LEU A 75 -16.134 -10.215 25.332 1.00 13.42 C ATOM 1240 C LEU A 75 -17.445 -10.240 26.119 1.00 31.53 C ATOM 1241 O LEU A 75 -17.834 -11.278 26.656 1.00 14.55 O ATOM 1242 CB LEU A 75 -15.043 -9.574 26.194 1.00 43.21 C ATOM 1243 CG LEU A 75 -13.783 -9.136 25.439 1.00 43.31 C ATOM 1244 CD1 LEU A 75 -13.382 -7.723 25.837 1.00 63.10 C ATOM 1245 CD2 LEU A 75 -12.640 -10.106 25.701 1.00 74.13 C ATOM 0 H LEU A 75 -16.238 -8.478 24.154 1.00 52.12 H new ATOM 0 HA LEU A 75 -15.873 -11.245 25.089 1.00 13.42 H new ATOM 0 HB2 LEU A 75 -15.465 -8.704 26.698 1.00 43.21 H new ATOM 0 HB3 LEU A 75 -14.753 -10.282 26.970 1.00 43.21 H new ATOM 0 HG LEU A 75 -14.005 -9.142 24.372 1.00 43.31 H new ATOM 0 HD11 LEU A 75 -12.486 -7.431 25.290 1.00 63.10 H new ATOM 0 HD12 LEU A 75 -14.193 -7.034 25.599 1.00 63.10 H new ATOM 0 HD13 LEU A 75 -13.180 -7.690 26.908 1.00 63.10 H new ATOM 0 HD21 LEU A 75 -11.754 -9.779 25.157 1.00 74.13 H new ATOM 0 HD22 LEU A 75 -12.422 -10.131 26.769 1.00 74.13 H new ATOM 0 HD23 LEU A 75 -12.925 -11.103 25.365 1.00 74.13 H new ATOM 1257 N PHE A 76 -18.108 -9.094 26.204 1.00 73.34 N ATOM 1258 CA PHE A 76 -19.360 -8.981 26.950 1.00 61.03 C ATOM 1259 C PHE A 76 -20.578 -9.080 26.050 1.00 53.21 C ATOM 1260 O PHE A 76 -21.627 -8.508 26.338 1.00 1.11 O ATOM 1261 CB PHE A 76 -19.399 -7.664 27.686 1.00 51.14 C ATOM 1262 CG PHE A 76 -18.254 -7.500 28.627 1.00 33.21 C ATOM 1263 CD1 PHE A 76 -18.077 -8.391 29.669 1.00 44.41 C ATOM 1264 CD2 PHE A 76 -17.344 -6.471 28.461 1.00 2.43 C ATOM 1265 CE1 PHE A 76 -17.012 -8.261 30.532 1.00 73.25 C ATOM 1266 CE2 PHE A 76 -16.277 -6.333 29.324 1.00 14.30 C ATOM 1267 CZ PHE A 76 -16.110 -7.232 30.359 1.00 10.35 C ATOM 0 H PHE A 76 -17.801 -8.226 25.765 1.00 73.34 H new ATOM 0 HA PHE A 76 -19.392 -9.814 27.652 1.00 61.03 H new ATOM 0 HB2 PHE A 76 -19.391 -6.848 26.964 1.00 51.14 H new ATOM 0 HB3 PHE A 76 -20.334 -7.589 28.241 1.00 51.14 H new ATOM 0 HD1 PHE A 76 -18.782 -9.198 29.808 1.00 44.41 H new ATOM 0 HD2 PHE A 76 -17.470 -5.770 27.649 1.00 2.43 H new ATOM 0 HE1 PHE A 76 -16.883 -8.963 31.342 1.00 73.25 H new ATOM 0 HE2 PHE A 76 -15.574 -5.524 29.191 1.00 14.30 H new ATOM 0 HZ PHE A 76 -15.273 -7.129 31.033 1.00 10.35 H new ATOM 1277 N GLU A 77 -20.418 -9.794 24.960 1.00 54.11 N ATOM 1278 CA GLU A 77 -21.487 -9.978 23.990 1.00 1.24 C ATOM 1279 C GLU A 77 -22.611 -10.821 24.581 1.00 64.35 C ATOM 1280 O GLU A 77 -22.935 -11.896 24.076 1.00 22.34 O ATOM 1281 CB GLU A 77 -20.943 -10.644 22.726 1.00 71.23 C ATOM 1282 CG GLU A 77 -21.862 -10.506 21.522 1.00 55.43 C ATOM 1283 CD GLU A 77 -22.196 -11.843 20.888 1.00 0.31 C ATOM 1284 OE1 GLU A 77 -22.461 -12.806 21.637 1.00 31.00 O ATOM 1285 OE2 GLU A 77 -22.192 -11.924 19.641 1.00 30.04 O ATOM 0 H GLU A 77 -19.547 -10.265 24.716 1.00 54.11 H new ATOM 0 HA GLU A 77 -21.888 -8.998 23.731 1.00 1.24 H new ATOM 0 HB2 GLU A 77 -19.973 -10.209 22.484 1.00 71.23 H new ATOM 0 HB3 GLU A 77 -20.776 -11.702 22.926 1.00 71.23 H new ATOM 0 HG2 GLU A 77 -22.784 -10.012 21.828 1.00 55.43 H new ATOM 0 HG3 GLU A 77 -21.388 -9.864 20.779 1.00 55.43 H new ATOM 1292 N GLY A 78 -23.196 -10.322 25.658 1.00 23.53 N ATOM 1293 CA GLY A 78 -24.273 -11.027 26.318 1.00 62.55 C ATOM 1294 C GLY A 78 -24.999 -10.152 27.317 1.00 72.21 C ATOM 1295 O GLY A 78 -26.219 -10.239 27.459 1.00 64.15 O ATOM 0 H GLY A 78 -22.941 -9.434 26.090 1.00 23.53 H new ATOM 0 HA2 GLY A 78 -24.981 -11.388 25.571 1.00 62.55 H new ATOM 0 HA3 GLY A 78 -23.873 -11.903 26.828 1.00 62.55 H new