USER MOD reduce.3.24.130724 H: found=0, std=0, add=860, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 861 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 80 CYS SG : rot -135:sc= -0.78 USER MOD Set 1.2: A 103 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 33 SER OG : rot 40:sc= 1.19 USER MOD Set 2.2: A 36 SER OG : rot -34:sc= 2 USER MOD Set 3.1: A 23 TYR OH : rot 96:sc= -1.92 USER MOD Set 3.2: A 46 HIS :FLIP no HE2:sc= -1.17 F(o=-4.7,f=-3.1) USER MOD Single : A 9 LYS NZ :NH3+ -139:sc= -0.177 (180deg=-1.38) USER MOD Single : A 10 GLN :FLIP amide:sc= -0.368 F(o=-0.98,f=-0.37) USER MOD Single : A 11 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 16 CYS SG : rot -16:sc= -6.52! USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 HIS : no HD1:sc= -0.83 K(o=-0.83,f=-2) USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 ASN : amide:sc= -0.983 K(o=-0.98,f=-13!) USER MOD Single : A 32 SER OG : rot -69:sc= 1.12 USER MOD Single : A 34 SER OG : rot 89:sc= 0.488 USER MOD Single : A 39 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 42 CYS SG : rot 29:sc= -0.877 USER MOD Single : A 47 ASN : amide:sc= -1.66 X(o=-1.7,f=-1.2) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 GLN : amide:sc= -0.0358 K(o=-0.036,f=-1.4) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 61 GLN : amide:sc= -0.207 X(o=-0.21,f=0) USER MOD Single : A 62 ASN : amide:sc= -0.153 K(o=-0.15,f=-2.2!) USER MOD Single : A 65 GLN : amide:sc= -0.0827 K(o=-0.083,f=-1.1) USER MOD Single : A 66 ASN : amide:sc= 0.0479 K(o=0.048,f=-0.64) USER MOD Single : A 72 SER OG : rot 180:sc= -0.597 USER MOD Single : A 73 SER OG : rot -63:sc= 0.639 USER MOD Single : A 76 THR OG1 : rot 9:sc= 0.355 USER MOD Single : A 77 HIS : no HD1:sc= -6.54! C(o=-6.5!,f=-7.1!) USER MOD Single : A 82 GLN : amide:sc= 0 K(o=0,f=-0.88) USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 MET CE :methyl -174:sc= -4.81! (180deg=-5.24!) USER MOD Single : A 98 LYS NZ :NH3+ -139:sc= -0.356 (180deg=-1.8!) USER MOD Single : A 99 CYS SG : rot 180:sc= 0 USER MOD Single : A 101 TYR OH : rot 180:sc= 0 USER MOD Single : A 102 THR OG1 : rot 76:sc= 0.419 USER MOD Single : A 105 GLN : amide:sc= 0 K(o=0,f=-0.57) USER MOD Single : A 108 TYR OH : rot 146:sc= -0.28 USER MOD Single : A 110 CYS SG : rot 64:sc= 0.123 USER MOD Single : A 113 GLN : amide:sc= -0.412 X(o=-0.41,f=-0.73) USER MOD Single : A 114 LYS NZ :NH3+ -142:sc= -0.906 (180deg=-2.16!) USER MOD ----------------------------------------------------------------- ATOM 66 N ILE A 8 -12.209 -9.713 1.591 1.00 0.00 N ATOM 67 CA ILE A 8 -11.614 -8.453 1.162 1.00 0.00 C ATOM 68 C ILE A 8 -10.093 -8.549 1.123 1.00 0.00 C ATOM 69 O ILE A 8 -9.427 -7.766 0.444 1.00 0.00 O ATOM 70 CB ILE A 8 -12.020 -7.293 2.091 1.00 0.00 C ATOM 71 CG1 ILE A 8 -13.529 -7.319 2.345 1.00 0.00 C ATOM 72 CG2 ILE A 8 -11.601 -5.961 1.489 1.00 0.00 C ATOM 73 CD1 ILE A 8 -13.943 -6.579 3.597 1.00 0.00 C ATOM 0 HA ILE A 8 -11.989 -8.252 0.159 1.00 0.00 H new ATOM 0 HB ILE A 8 -11.508 -7.415 3.045 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -14.041 -6.882 1.488 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -13.859 -8.355 2.419 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -11.895 -5.151 2.157 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -10.519 -5.946 1.355 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -12.088 -5.829 0.523 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -15.025 -6.639 3.714 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -13.459 -7.030 4.463 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -13.644 -5.534 3.518 1.00 0.00 H new ATOM 85 N LYS A 9 -9.547 -9.514 1.855 1.00 0.00 N ATOM 86 CA LYS A 9 -8.104 -9.716 1.902 1.00 0.00 C ATOM 87 C LYS A 9 -7.555 -10.046 0.517 1.00 0.00 C ATOM 88 O LYS A 9 -6.398 -9.755 0.214 1.00 0.00 O ATOM 89 CB LYS A 9 -7.757 -10.840 2.881 1.00 0.00 C ATOM 90 CG LYS A 9 -6.264 -11.033 3.082 1.00 0.00 C ATOM 91 CD LYS A 9 -5.965 -11.753 4.386 1.00 0.00 C ATOM 92 CE LYS A 9 -6.335 -13.226 4.307 1.00 0.00 C ATOM 93 NZ LYS A 9 -7.778 -13.452 4.599 1.00 0.00 N ATOM 0 H LYS A 9 -10.083 -10.169 2.424 1.00 0.00 H new ATOM 0 HA LYS A 9 -7.644 -8.789 2.245 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -8.220 -10.627 3.844 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -8.190 -11.772 2.519 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -5.855 -11.603 2.248 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -5.767 -10.063 3.079 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -4.905 -11.655 4.622 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -6.518 -11.281 5.198 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -6.102 -13.606 3.312 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -5.728 -13.791 5.015 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -7.884 -14.300 5.192 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -8.164 -12.627 5.102 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -8.296 -13.587 3.707 1.00 0.00 H new ATOM 107 N GLN A 10 -8.392 -10.653 -0.317 1.00 0.00 N ATOM 108 CA GLN A 10 -7.990 -11.021 -1.669 1.00 0.00 C ATOM 109 C GLN A 10 -8.106 -9.830 -2.615 1.00 0.00 C ATOM 110 O GLN A 10 -7.120 -9.404 -3.215 1.00 0.00 O ATOM 111 CB GLN A 10 -8.847 -12.180 -2.182 1.00 0.00 C ATOM 112 CG GLN A 10 -8.247 -13.549 -1.906 1.00 0.00 C ATOM 113 CD GLN A 10 -7.607 -13.640 -0.535 1.00 0.00 C ATOM 114 OE1 GLN A 10 -6.320 -13.320 -0.459 1.00 0.00 O flip ATOM 115 NE2 GLN A 10 -8.261 -13.994 0.447 1.00 0.00 N flip ATOM 0 H GLN A 10 -9.353 -10.900 -0.080 1.00 0.00 H new ATOM 0 HA GLN A 10 -6.947 -11.336 -1.637 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -9.833 -12.125 -1.720 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -8.992 -12.066 -3.256 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -9.026 -14.307 -1.990 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -7.500 -13.774 -2.667 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -9.248 -14.231 0.344 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -7.816 -14.050 1.363 1.00 0.00 H new ATOM 124 N MET A 11 -9.317 -9.298 -2.743 1.00 0.00 N ATOM 125 CA MET A 11 -9.561 -8.155 -3.615 1.00 0.00 C ATOM 126 C MET A 11 -8.453 -7.116 -3.473 1.00 0.00 C ATOM 127 O MET A 11 -8.058 -6.477 -4.449 1.00 0.00 O ATOM 128 CB MET A 11 -10.916 -7.521 -3.294 1.00 0.00 C ATOM 129 CG MET A 11 -10.858 -6.505 -2.165 1.00 0.00 C ATOM 130 SD MET A 11 -10.470 -4.843 -2.746 1.00 0.00 S ATOM 131 CE MET A 11 -12.115 -4.168 -2.966 1.00 0.00 C ATOM 0 H MET A 11 -10.144 -9.640 -2.254 1.00 0.00 H new ATOM 0 HA MET A 11 -9.570 -8.511 -4.645 1.00 0.00 H new ATOM 0 HB2 MET A 11 -11.302 -7.035 -4.190 1.00 0.00 H new ATOM 0 HB3 MET A 11 -11.622 -8.307 -3.028 1.00 0.00 H new ATOM 0 HG2 MET A 11 -11.816 -6.490 -1.646 1.00 0.00 H new ATOM 0 HG3 MET A 11 -10.107 -6.817 -1.439 1.00 0.00 H new ATOM 0 HE1 MET A 11 -12.042 -3.141 -3.324 1.00 0.00 H new ATOM 0 HE2 MET A 11 -12.660 -4.768 -3.695 1.00 0.00 H new ATOM 0 HE3 MET A 11 -12.645 -4.184 -2.014 1.00 0.00 H new ATOM 141 N LEU A 12 -7.956 -6.952 -2.252 1.00 0.00 N ATOM 142 CA LEU A 12 -6.893 -5.990 -1.982 1.00 0.00 C ATOM 143 C LEU A 12 -5.592 -6.411 -2.658 1.00 0.00 C ATOM 144 O LEU A 12 -4.897 -5.589 -3.257 1.00 0.00 O ATOM 145 CB LEU A 12 -6.676 -5.850 -0.474 1.00 0.00 C ATOM 146 CG LEU A 12 -7.808 -5.183 0.308 1.00 0.00 C ATOM 147 CD1 LEU A 12 -7.620 -5.394 1.803 1.00 0.00 C ATOM 148 CD2 LEU A 12 -7.880 -3.699 -0.018 1.00 0.00 C ATOM 0 H LEU A 12 -8.272 -7.472 -1.434 1.00 0.00 H new ATOM 0 HA LEU A 12 -7.197 -5.026 -2.390 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -6.510 -6.843 -0.057 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -5.762 -5.279 -0.310 1.00 0.00 H new ATOM 0 HG LEU A 12 -8.750 -5.645 0.012 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -8.435 -4.913 2.344 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -7.620 -6.462 2.023 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -6.671 -4.959 2.115 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -8.691 -3.241 0.548 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -6.937 -3.222 0.249 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -8.063 -3.569 -1.085 1.00 0.00 H new ATOM 160 N LEU A 13 -5.270 -7.696 -2.559 1.00 0.00 N ATOM 161 CA LEU A 13 -4.053 -8.227 -3.164 1.00 0.00 C ATOM 162 C LEU A 13 -4.163 -8.244 -4.685 1.00 0.00 C ATOM 163 O LEU A 13 -3.165 -8.095 -5.391 1.00 0.00 O ATOM 164 CB LEU A 13 -3.778 -9.640 -2.645 1.00 0.00 C ATOM 165 CG LEU A 13 -2.385 -10.202 -2.934 1.00 0.00 C ATOM 166 CD1 LEU A 13 -1.386 -9.710 -1.898 1.00 0.00 C ATOM 167 CD2 LEU A 13 -2.419 -11.723 -2.965 1.00 0.00 C ATOM 0 H LEU A 13 -5.834 -8.389 -2.066 1.00 0.00 H new ATOM 0 HA LEU A 13 -3.224 -7.576 -2.886 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -3.934 -9.646 -1.566 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -4.517 -10.315 -3.077 1.00 0.00 H new ATOM 0 HG LEU A 13 -2.067 -9.846 -3.914 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -0.401 -10.120 -2.119 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -1.341 -8.621 -1.925 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -1.700 -10.036 -0.906 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -1.419 -12.105 -3.172 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -2.759 -12.099 -2.000 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -3.103 -12.056 -3.745 1.00 0.00 H new ATOM 179 N ASP A 14 -5.381 -8.425 -5.183 1.00 0.00 N ATOM 180 CA ASP A 14 -5.622 -8.458 -6.621 1.00 0.00 C ATOM 181 C ASP A 14 -5.649 -7.047 -7.199 1.00 0.00 C ATOM 182 O ASP A 14 -5.365 -6.845 -8.380 1.00 0.00 O ATOM 183 CB ASP A 14 -6.941 -9.172 -6.922 1.00 0.00 C ATOM 184 CG ASP A 14 -6.783 -10.679 -6.986 1.00 0.00 C ATOM 185 OD1 ASP A 14 -5.678 -11.145 -7.336 1.00 0.00 O ATOM 186 OD2 ASP A 14 -7.763 -11.391 -6.684 1.00 0.00 O ATOM 0 H ASP A 14 -6.217 -8.551 -4.612 1.00 0.00 H new ATOM 0 HA ASP A 14 -4.806 -9.008 -7.090 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -7.671 -8.919 -6.154 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -7.338 -8.811 -7.871 1.00 0.00 H new ATOM 191 N TRP A 15 -5.994 -6.076 -6.362 1.00 0.00 N ATOM 192 CA TRP A 15 -6.060 -4.684 -6.791 1.00 0.00 C ATOM 193 C TRP A 15 -4.666 -4.068 -6.854 1.00 0.00 C ATOM 194 O TRP A 15 -4.265 -3.523 -7.883 1.00 0.00 O ATOM 195 CB TRP A 15 -6.945 -3.877 -5.840 1.00 0.00 C ATOM 196 CG TRP A 15 -6.801 -2.395 -6.009 1.00 0.00 C ATOM 197 CD1 TRP A 15 -7.428 -1.610 -6.934 1.00 0.00 C ATOM 198 CD2 TRP A 15 -5.976 -1.520 -5.231 1.00 0.00 C ATOM 199 NE1 TRP A 15 -7.043 -0.301 -6.779 1.00 0.00 N ATOM 200 CE2 TRP A 15 -6.153 -0.219 -5.741 1.00 0.00 C ATOM 201 CE3 TRP A 15 -5.106 -1.709 -4.154 1.00 0.00 C ATOM 202 CZ2 TRP A 15 -5.491 0.885 -5.209 1.00 0.00 C ATOM 203 CZ3 TRP A 15 -4.450 -0.613 -3.627 1.00 0.00 C ATOM 204 CH2 TRP A 15 -4.646 0.671 -4.154 1.00 0.00 C ATOM 0 H TRP A 15 -6.233 -6.227 -5.382 1.00 0.00 H new ATOM 0 HA TRP A 15 -6.495 -4.658 -7.790 1.00 0.00 H new ATOM 0 HB2 TRP A 15 -7.987 -4.154 -6.001 1.00 0.00 H new ATOM 0 HB3 TRP A 15 -6.699 -4.144 -4.812 1.00 0.00 H new ATOM 0 HD1 TRP A 15 -8.125 -1.966 -7.678 1.00 0.00 H new ATOM 0 HE1 TRP A 15 -7.367 0.483 -7.345 1.00 0.00 H new ATOM 0 HE3 TRP A 15 -4.949 -2.694 -3.741 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 -5.639 1.875 -5.615 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 -3.775 -0.748 -2.795 1.00 0.00 H new ATOM 0 HH2 TRP A 15 -4.120 1.508 -3.719 1.00 0.00 H new ATOM 215 N CYS A 16 -3.934 -4.157 -5.749 1.00 0.00 N ATOM 216 CA CYS A 16 -2.585 -3.607 -5.680 1.00 0.00 C ATOM 217 C CYS A 16 -1.772 -4.005 -6.907 1.00 0.00 C ATOM 218 O CYS A 16 -1.138 -3.164 -7.544 1.00 0.00 O ATOM 219 CB CYS A 16 -1.882 -4.086 -4.409 1.00 0.00 C ATOM 220 SG CYS A 16 -1.808 -5.884 -4.239 1.00 0.00 S ATOM 0 H CYS A 16 -4.252 -4.604 -4.889 1.00 0.00 H new ATOM 0 HA CYS A 16 -2.663 -2.520 -5.656 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -0.867 -3.689 -4.396 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -2.398 -3.671 -3.543 1.00 0.00 H new ATOM 0 HG CYS A 16 -2.654 -6.433 -5.060 1.00 0.00 H new ATOM 226 N ARG A 17 -1.793 -5.294 -7.231 1.00 0.00 N ATOM 227 CA ARG A 17 -1.055 -5.805 -8.380 1.00 0.00 C ATOM 228 C ARG A 17 -1.312 -4.948 -9.616 1.00 0.00 C ATOM 229 O ARG A 17 -0.377 -4.508 -10.285 1.00 0.00 O ATOM 230 CB ARG A 17 -1.448 -7.256 -8.662 1.00 0.00 C ATOM 231 CG ARG A 17 -0.702 -8.266 -7.805 1.00 0.00 C ATOM 232 CD ARG A 17 -1.510 -9.540 -7.614 1.00 0.00 C ATOM 233 NE ARG A 17 -1.533 -10.360 -8.822 1.00 0.00 N ATOM 234 CZ ARG A 17 -0.464 -10.981 -9.309 1.00 0.00 C ATOM 235 NH1 ARG A 17 0.706 -10.875 -8.693 1.00 0.00 N ATOM 236 NH2 ARG A 17 -0.564 -11.710 -10.413 1.00 0.00 N ATOM 0 H ARG A 17 -2.313 -6.003 -6.714 1.00 0.00 H new ATOM 0 HA ARG A 17 0.008 -5.763 -8.144 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -2.519 -7.372 -8.496 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -1.262 -7.476 -9.713 1.00 0.00 H new ATOM 0 HG2 ARG A 17 0.253 -8.506 -8.272 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -0.479 -7.826 -6.833 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -1.087 -10.118 -6.792 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -2.531 -9.283 -7.331 1.00 0.00 H new ATOM 0 HE ARG A 17 -2.418 -10.462 -9.319 1.00 0.00 H new ATOM 0 HH11 ARG A 17 0.786 -10.316 -7.844 1.00 0.00 H new ATOM 0 HH12 ARG A 17 1.525 -11.353 -9.069 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -1.462 -11.794 -10.889 1.00 0.00 H new ATOM 0 HH22 ARG A 17 0.257 -12.186 -10.786 1.00 0.00 H new ATOM 250 N ALA A 18 -2.586 -4.715 -9.914 1.00 0.00 N ATOM 251 CA ALA A 18 -2.967 -3.910 -11.068 1.00 0.00 C ATOM 252 C ALA A 18 -2.337 -2.523 -11.001 1.00 0.00 C ATOM 253 O ALA A 18 -1.835 -2.009 -12.001 1.00 0.00 O ATOM 254 CB ALA A 18 -4.482 -3.800 -11.158 1.00 0.00 C ATOM 0 H ALA A 18 -3.372 -5.073 -9.372 1.00 0.00 H new ATOM 0 HA ALA A 18 -2.596 -4.406 -11.965 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -4.752 -3.196 -12.024 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -4.914 -4.796 -11.261 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -4.867 -3.329 -10.253 1.00 0.00 H new ATOM 260 N LYS A 19 -2.367 -1.921 -9.817 1.00 0.00 N ATOM 261 CA LYS A 19 -1.798 -0.593 -9.619 1.00 0.00 C ATOM 262 C LYS A 19 -0.276 -0.659 -9.544 1.00 0.00 C ATOM 263 O LYS A 19 0.399 0.371 -9.505 1.00 0.00 O ATOM 264 CB LYS A 19 -2.356 0.038 -8.342 1.00 0.00 C ATOM 265 CG LYS A 19 -3.867 0.198 -8.352 1.00 0.00 C ATOM 266 CD LYS A 19 -4.306 1.281 -9.323 1.00 0.00 C ATOM 267 CE LYS A 19 -5.764 1.112 -9.724 1.00 0.00 C ATOM 268 NZ LYS A 19 -6.394 2.411 -10.086 1.00 0.00 N ATOM 0 H LYS A 19 -2.780 -2.332 -8.980 1.00 0.00 H new ATOM 0 HA LYS A 19 -2.075 0.025 -10.473 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -2.070 -0.576 -7.488 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -1.896 1.016 -8.199 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -4.332 -0.749 -8.627 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -4.214 0.445 -7.349 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -4.164 2.260 -8.866 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -3.677 1.250 -10.213 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -5.831 0.428 -10.570 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -6.316 0.657 -8.902 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -7.387 2.253 -10.353 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -6.353 3.056 -9.271 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -5.883 2.833 -10.887 1.00 0.00 H new ATOM 282 N THR A 20 0.259 -1.875 -9.524 1.00 0.00 N ATOM 283 CA THR A 20 1.701 -2.075 -9.453 1.00 0.00 C ATOM 284 C THR A 20 2.160 -3.126 -10.457 1.00 0.00 C ATOM 285 O THR A 20 3.125 -3.851 -10.213 1.00 0.00 O ATOM 286 CB THR A 20 2.141 -2.503 -8.041 1.00 0.00 C ATOM 287 OG1 THR A 20 1.668 -1.560 -7.073 1.00 0.00 O ATOM 288 CG2 THR A 20 3.656 -2.610 -7.954 1.00 0.00 C ATOM 0 H THR A 20 -0.285 -2.737 -9.556 1.00 0.00 H new ATOM 0 HA THR A 20 2.165 -1.119 -9.695 1.00 0.00 H new ATOM 0 HB THR A 20 1.711 -3.483 -7.833 1.00 0.00 H new ATOM 0 HG1 THR A 20 1.951 -1.841 -6.178 1.00 0.00 H new ATOM 0 HG21 THR A 20 3.942 -2.914 -6.947 1.00 0.00 H new ATOM 0 HG22 THR A 20 4.010 -3.351 -8.671 1.00 0.00 H new ATOM 0 HG23 THR A 20 4.103 -1.642 -8.182 1.00 0.00 H new ATOM 296 N ARG A 21 1.464 -3.204 -11.586 1.00 0.00 N ATOM 297 CA ARG A 21 1.801 -4.168 -12.627 1.00 0.00 C ATOM 298 C ARG A 21 2.625 -3.511 -13.730 1.00 0.00 C ATOM 299 O ARG A 21 2.897 -4.121 -14.763 1.00 0.00 O ATOM 300 CB ARG A 21 0.528 -4.776 -13.220 1.00 0.00 C ATOM 301 CG ARG A 21 -0.203 -3.847 -14.175 1.00 0.00 C ATOM 302 CD ARG A 21 -1.110 -4.620 -15.119 1.00 0.00 C ATOM 303 NE ARG A 21 -0.400 -5.074 -16.311 1.00 0.00 N ATOM 304 CZ ARG A 21 0.102 -4.251 -17.225 1.00 0.00 C ATOM 305 NH1 ARG A 21 -0.028 -2.939 -17.084 1.00 0.00 N ATOM 306 NH2 ARG A 21 0.735 -4.740 -18.284 1.00 0.00 N ATOM 0 H ARG A 21 0.663 -2.611 -11.804 1.00 0.00 H new ATOM 0 HA ARG A 21 2.397 -4.960 -12.174 1.00 0.00 H new ATOM 0 HB2 ARG A 21 0.786 -5.695 -13.746 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -0.145 -5.052 -12.408 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -0.795 -3.130 -13.606 1.00 0.00 H new ATOM 0 HG3 ARG A 21 0.522 -3.274 -14.753 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -1.528 -5.480 -14.596 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -1.948 -3.989 -15.415 1.00 0.00 H new ATOM 0 HE ARG A 21 -0.283 -6.078 -16.450 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -0.515 -2.559 -16.272 1.00 0.00 H new ATOM 0 HH12 ARG A 21 0.359 -2.310 -17.788 1.00 0.00 H new ATOM 0 HH21 ARG A 21 0.836 -5.749 -18.397 1.00 0.00 H new ATOM 0 HH22 ARG A 21 1.120 -4.107 -18.985 1.00 0.00 H new ATOM 320 N GLY A 22 3.020 -2.261 -13.503 1.00 0.00 N ATOM 321 CA GLY A 22 3.808 -1.542 -14.487 1.00 0.00 C ATOM 322 C GLY A 22 5.165 -1.128 -13.953 1.00 0.00 C ATOM 323 O GLY A 22 5.795 -0.212 -14.481 1.00 0.00 O ATOM 0 H GLY A 22 2.808 -1.734 -12.656 1.00 0.00 H new ATOM 0 HA2 GLY A 22 3.944 -2.169 -15.368 1.00 0.00 H new ATOM 0 HA3 GLY A 22 3.261 -0.655 -14.808 1.00 0.00 H new ATOM 327 N TYR A 23 5.615 -1.803 -12.901 1.00 0.00 N ATOM 328 CA TYR A 23 6.904 -1.498 -12.292 1.00 0.00 C ATOM 329 C TYR A 23 7.891 -2.642 -12.503 1.00 0.00 C ATOM 330 O TYR A 23 7.538 -3.688 -13.047 1.00 0.00 O ATOM 331 CB TYR A 23 6.734 -1.226 -10.796 1.00 0.00 C ATOM 332 CG TYR A 23 5.932 0.020 -10.495 1.00 0.00 C ATOM 333 CD1 TYR A 23 4.545 0.013 -10.574 1.00 0.00 C ATOM 334 CD2 TYR A 23 6.561 1.204 -10.132 1.00 0.00 C ATOM 335 CE1 TYR A 23 3.808 1.149 -10.300 1.00 0.00 C ATOM 336 CE2 TYR A 23 5.832 2.344 -9.855 1.00 0.00 C ATOM 337 CZ TYR A 23 4.456 2.312 -9.941 1.00 0.00 C ATOM 338 OH TYR A 23 3.727 3.446 -9.667 1.00 0.00 O ATOM 0 H TYR A 23 5.106 -2.565 -12.452 1.00 0.00 H new ATOM 0 HA TYR A 23 7.302 -0.605 -12.774 1.00 0.00 H new ATOM 0 HB2 TYR A 23 6.246 -2.083 -10.333 1.00 0.00 H new ATOM 0 HB3 TYR A 23 7.719 -1.134 -10.338 1.00 0.00 H new ATOM 0 HD1 TYR A 23 4.034 -0.896 -10.854 1.00 0.00 H new ATOM 0 HD2 TYR A 23 7.639 1.234 -10.065 1.00 0.00 H new ATOM 0 HE1 TYR A 23 2.730 1.126 -10.367 1.00 0.00 H new ATOM 0 HE2 TYR A 23 6.337 3.256 -9.572 1.00 0.00 H new ATOM 0 HH TYR A 23 3.581 3.515 -8.700 1.00 0.00 H new ATOM 348 N GLU A 24 9.130 -2.435 -12.067 1.00 0.00 N ATOM 349 CA GLU A 24 10.168 -3.449 -12.208 1.00 0.00 C ATOM 350 C GLU A 24 10.706 -3.871 -10.843 1.00 0.00 C ATOM 351 O GLU A 24 10.680 -3.096 -9.887 1.00 0.00 O ATOM 352 CB GLU A 24 11.312 -2.922 -13.077 1.00 0.00 C ATOM 353 CG GLU A 24 12.274 -4.003 -13.538 1.00 0.00 C ATOM 354 CD GLU A 24 13.454 -3.444 -14.310 1.00 0.00 C ATOM 355 OE1 GLU A 24 14.035 -2.435 -13.859 1.00 0.00 O ATOM 356 OE2 GLU A 24 13.796 -4.017 -15.366 1.00 0.00 O ATOM 0 H GLU A 24 9.439 -1.575 -11.614 1.00 0.00 H new ATOM 0 HA GLU A 24 9.725 -4.320 -12.691 1.00 0.00 H new ATOM 0 HB2 GLU A 24 10.893 -2.424 -13.951 1.00 0.00 H new ATOM 0 HB3 GLU A 24 11.866 -2.169 -12.516 1.00 0.00 H new ATOM 0 HG2 GLU A 24 12.640 -4.553 -12.671 1.00 0.00 H new ATOM 0 HG3 GLU A 24 11.739 -4.716 -14.165 1.00 0.00 H new ATOM 363 N HIS A 25 11.191 -5.105 -10.761 1.00 0.00 N ATOM 364 CA HIS A 25 11.735 -5.632 -9.514 1.00 0.00 C ATOM 365 C HIS A 25 10.715 -5.518 -8.386 1.00 0.00 C ATOM 366 O HIS A 25 11.063 -5.196 -7.250 1.00 0.00 O ATOM 367 CB HIS A 25 13.015 -4.886 -9.137 1.00 0.00 C ATOM 368 CG HIS A 25 13.962 -4.704 -10.283 1.00 0.00 C ATOM 369 ND1 HIS A 25 14.292 -5.719 -11.156 1.00 0.00 N ATOM 370 CD2 HIS A 25 14.651 -3.615 -10.697 1.00 0.00 C ATOM 371 CE1 HIS A 25 15.143 -5.263 -12.057 1.00 0.00 C ATOM 372 NE2 HIS A 25 15.377 -3.988 -11.802 1.00 0.00 N ATOM 0 H HIS A 25 11.219 -5.759 -11.543 1.00 0.00 H new ATOM 0 HA HIS A 25 11.968 -6.686 -9.664 1.00 0.00 H new ATOM 0 HB2 HIS A 25 12.751 -3.908 -8.736 1.00 0.00 H new ATOM 0 HB3 HIS A 25 13.522 -5.431 -8.340 1.00 0.00 H new ATOM 0 HD2 HIS A 25 14.633 -2.635 -10.243 1.00 0.00 H new ATOM 0 HE1 HIS A 25 15.574 -5.835 -12.865 1.00 0.00 H new ATOM 0 HE2 HIS A 25 15.996 -3.380 -12.338 1.00 0.00 H new ATOM 381 N VAL A 26 9.452 -5.782 -8.707 1.00 0.00 N ATOM 382 CA VAL A 26 8.381 -5.710 -7.721 1.00 0.00 C ATOM 383 C VAL A 26 7.394 -6.858 -7.896 1.00 0.00 C ATOM 384 O VAL A 26 6.984 -7.173 -9.014 1.00 0.00 O ATOM 385 CB VAL A 26 7.620 -4.374 -7.815 1.00 0.00 C ATOM 386 CG1 VAL A 26 6.393 -4.393 -6.916 1.00 0.00 C ATOM 387 CG2 VAL A 26 8.536 -3.213 -7.458 1.00 0.00 C ATOM 0 H VAL A 26 9.146 -6.048 -9.643 1.00 0.00 H new ATOM 0 HA VAL A 26 8.849 -5.784 -6.740 1.00 0.00 H new ATOM 0 HB VAL A 26 7.284 -4.239 -8.843 1.00 0.00 H new ATOM 0 HG11 VAL A 26 5.869 -3.441 -6.996 1.00 0.00 H new ATOM 0 HG12 VAL A 26 5.729 -5.200 -7.224 1.00 0.00 H new ATOM 0 HG13 VAL A 26 6.701 -4.552 -5.883 1.00 0.00 H new ATOM 0 HG21 VAL A 26 7.982 -2.277 -7.530 1.00 0.00 H new ATOM 0 HG22 VAL A 26 8.904 -3.340 -6.440 1.00 0.00 H new ATOM 0 HG23 VAL A 26 9.379 -3.189 -8.148 1.00 0.00 H new ATOM 397 N ASP A 27 7.015 -7.480 -6.785 1.00 0.00 N ATOM 398 CA ASP A 27 6.074 -8.594 -6.815 1.00 0.00 C ATOM 399 C ASP A 27 5.232 -8.629 -5.543 1.00 0.00 C ATOM 400 O ASP A 27 5.759 -8.801 -4.444 1.00 0.00 O ATOM 401 CB ASP A 27 6.821 -9.917 -6.983 1.00 0.00 C ATOM 402 CG ASP A 27 8.051 -10.004 -6.100 1.00 0.00 C ATOM 403 OD1 ASP A 27 8.084 -9.313 -5.060 1.00 0.00 O ATOM 404 OD2 ASP A 27 8.978 -10.763 -6.448 1.00 0.00 O ATOM 0 H ASP A 27 7.345 -7.232 -5.852 1.00 0.00 H new ATOM 0 HA ASP A 27 5.408 -8.451 -7.666 1.00 0.00 H new ATOM 0 HB2 ASP A 27 6.149 -10.743 -6.748 1.00 0.00 H new ATOM 0 HB3 ASP A 27 7.117 -10.034 -8.026 1.00 0.00 H new ATOM 409 N ILE A 28 3.923 -8.463 -5.701 1.00 0.00 N ATOM 410 CA ILE A 28 3.010 -8.475 -4.566 1.00 0.00 C ATOM 411 C ILE A 28 2.345 -9.839 -4.410 1.00 0.00 C ATOM 412 O ILE A 28 1.375 -10.149 -5.101 1.00 0.00 O ATOM 413 CB ILE A 28 1.918 -7.398 -4.709 1.00 0.00 C ATOM 414 CG1 ILE A 28 2.552 -6.009 -4.813 1.00 0.00 C ATOM 415 CG2 ILE A 28 0.955 -7.460 -3.533 1.00 0.00 C ATOM 416 CD1 ILE A 28 1.653 -4.981 -5.462 1.00 0.00 C ATOM 0 H ILE A 28 3.472 -8.319 -6.604 1.00 0.00 H new ATOM 0 HA ILE A 28 3.607 -8.260 -3.680 1.00 0.00 H new ATOM 0 HB ILE A 28 1.356 -7.590 -5.623 1.00 0.00 H new ATOM 0 HG12 ILE A 28 2.821 -5.666 -3.814 1.00 0.00 H new ATOM 0 HG13 ILE A 28 3.477 -6.083 -5.384 1.00 0.00 H new ATOM 0 HG21 ILE A 28 0.189 -6.693 -3.649 1.00 0.00 H new ATOM 0 HG22 ILE A 28 0.483 -8.442 -3.501 1.00 0.00 H new ATOM 0 HG23 ILE A 28 1.502 -7.290 -2.606 1.00 0.00 H new ATOM 0 HD11 ILE A 28 2.168 -4.021 -5.502 1.00 0.00 H new ATOM 0 HD12 ILE A 28 1.405 -5.302 -6.474 1.00 0.00 H new ATOM 0 HD13 ILE A 28 0.738 -4.878 -4.879 1.00 0.00 H new ATOM 428 N GLN A 29 2.872 -10.647 -3.496 1.00 0.00 N ATOM 429 CA GLN A 29 2.329 -11.977 -3.249 1.00 0.00 C ATOM 430 C GLN A 29 1.602 -12.028 -1.909 1.00 0.00 C ATOM 431 O GLN A 29 0.652 -12.790 -1.736 1.00 0.00 O ATOM 432 CB GLN A 29 3.447 -13.021 -3.276 1.00 0.00 C ATOM 433 CG GLN A 29 2.981 -14.422 -2.912 1.00 0.00 C ATOM 434 CD GLN A 29 2.388 -15.165 -4.093 1.00 0.00 C ATOM 435 OE1 GLN A 29 3.104 -15.818 -4.853 1.00 0.00 O ATOM 436 NE2 GLN A 29 1.073 -15.070 -4.254 1.00 0.00 N ATOM 0 H GLN A 29 3.674 -10.404 -2.915 1.00 0.00 H new ATOM 0 HA GLN A 29 1.613 -12.202 -4.039 1.00 0.00 H new ATOM 0 HB2 GLN A 29 3.889 -13.042 -4.272 1.00 0.00 H new ATOM 0 HB3 GLN A 29 4.233 -12.717 -2.584 1.00 0.00 H new ATOM 0 HG2 GLN A 29 3.823 -14.990 -2.516 1.00 0.00 H new ATOM 0 HG3 GLN A 29 2.238 -14.359 -2.117 1.00 0.00 H new ATOM 0 HE21 GLN A 29 0.518 -14.518 -3.600 1.00 0.00 H new ATOM 0 HE22 GLN A 29 0.618 -15.549 -5.031 1.00 0.00 H new ATOM 445 N ASN A 30 2.057 -11.212 -0.964 1.00 0.00 N ATOM 446 CA ASN A 30 1.450 -11.165 0.362 1.00 0.00 C ATOM 447 C ASN A 30 1.807 -9.866 1.077 1.00 0.00 C ATOM 448 O ASN A 30 2.614 -9.075 0.587 1.00 0.00 O ATOM 449 CB ASN A 30 1.907 -12.362 1.197 1.00 0.00 C ATOM 450 CG ASN A 30 3.391 -12.321 1.505 1.00 0.00 C ATOM 451 OD1 ASN A 30 3.837 -11.562 2.365 1.00 0.00 O ATOM 452 ND2 ASN A 30 4.164 -13.139 0.799 1.00 0.00 N ATOM 0 H ASN A 30 2.843 -10.575 -1.091 1.00 0.00 H new ATOM 0 HA ASN A 30 0.368 -11.207 0.241 1.00 0.00 H new ATOM 0 HB2 ASN A 30 1.346 -12.385 2.131 1.00 0.00 H new ATOM 0 HB3 ASN A 30 1.675 -13.283 0.663 1.00 0.00 H new ATOM 0 HD21 ASN A 30 5.171 -13.155 0.960 1.00 0.00 H new ATOM 0 HD22 ASN A 30 3.750 -13.751 0.096 1.00 0.00 H new ATOM 459 N PHE A 31 1.202 -9.652 2.241 1.00 0.00 N ATOM 460 CA PHE A 31 1.455 -8.448 3.025 1.00 0.00 C ATOM 461 C PHE A 31 2.382 -8.749 4.199 1.00 0.00 C ATOM 462 O PHE A 31 2.175 -8.258 5.309 1.00 0.00 O ATOM 463 CB PHE A 31 0.138 -7.861 3.537 1.00 0.00 C ATOM 464 CG PHE A 31 -0.919 -7.744 2.476 1.00 0.00 C ATOM 465 CD1 PHE A 31 -0.961 -6.641 1.640 1.00 0.00 C ATOM 466 CD2 PHE A 31 -1.871 -8.739 2.316 1.00 0.00 C ATOM 467 CE1 PHE A 31 -1.932 -6.530 0.663 1.00 0.00 C ATOM 468 CE2 PHE A 31 -2.844 -8.634 1.340 1.00 0.00 C ATOM 469 CZ PHE A 31 -2.876 -7.528 0.513 1.00 0.00 C ATOM 0 H PHE A 31 0.533 -10.297 2.662 1.00 0.00 H new ATOM 0 HA PHE A 31 1.942 -7.718 2.378 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -0.239 -8.486 4.347 1.00 0.00 H new ATOM 0 HB3 PHE A 31 0.329 -6.874 3.959 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -0.226 -5.858 1.753 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -1.852 -9.605 2.961 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -1.953 -5.664 0.018 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -3.579 -9.417 1.224 1.00 0.00 H new ATOM 0 HZ PHE A 31 -3.637 -7.443 -0.249 1.00 0.00 H new ATOM 479 N SER A 32 3.404 -9.561 3.946 1.00 0.00 N ATOM 480 CA SER A 32 4.360 -9.932 4.982 1.00 0.00 C ATOM 481 C SER A 32 5.718 -9.286 4.724 1.00 0.00 C ATOM 482 O SER A 32 6.131 -8.374 5.440 1.00 0.00 O ATOM 483 CB SER A 32 4.509 -11.453 5.047 1.00 0.00 C ATOM 484 OG SER A 32 4.841 -11.877 6.358 1.00 0.00 O ATOM 0 H SER A 32 3.591 -9.974 3.032 1.00 0.00 H new ATOM 0 HA SER A 32 3.981 -9.571 5.938 1.00 0.00 H new ATOM 0 HB2 SER A 32 3.579 -11.926 4.733 1.00 0.00 H new ATOM 0 HB3 SER A 32 5.282 -11.776 4.350 1.00 0.00 H new ATOM 0 HG SER A 32 5.753 -11.590 6.574 1.00 0.00 H new ATOM 490 N SER A 33 6.409 -9.767 3.695 1.00 0.00 N ATOM 491 CA SER A 33 7.722 -9.241 3.343 1.00 0.00 C ATOM 492 C SER A 33 7.658 -8.445 2.043 1.00 0.00 C ATOM 493 O SER A 33 8.357 -7.445 1.880 1.00 0.00 O ATOM 494 CB SER A 33 8.732 -10.382 3.206 1.00 0.00 C ATOM 495 OG SER A 33 10.020 -9.888 2.880 1.00 0.00 O ATOM 0 H SER A 33 6.081 -10.520 3.091 1.00 0.00 H new ATOM 0 HA SER A 33 8.045 -8.573 4.142 1.00 0.00 H new ATOM 0 HB2 SER A 33 8.780 -10.943 4.139 1.00 0.00 H new ATOM 0 HB3 SER A 33 8.399 -11.076 2.434 1.00 0.00 H new ATOM 0 HG SER A 33 10.195 -9.070 3.390 1.00 0.00 H new ATOM 501 N SER A 34 6.815 -8.897 1.120 1.00 0.00 N ATOM 502 CA SER A 34 6.661 -8.230 -0.167 1.00 0.00 C ATOM 503 C SER A 34 6.807 -6.719 -0.017 1.00 0.00 C ATOM 504 O SER A 34 7.300 -6.040 -0.918 1.00 0.00 O ATOM 505 CB SER A 34 5.299 -8.565 -0.779 1.00 0.00 C ATOM 506 OG SER A 34 5.138 -7.936 -2.039 1.00 0.00 O ATOM 0 H SER A 34 6.228 -9.723 1.240 1.00 0.00 H new ATOM 0 HA SER A 34 7.448 -8.589 -0.831 1.00 0.00 H new ATOM 0 HB2 SER A 34 5.204 -9.645 -0.893 1.00 0.00 H new ATOM 0 HB3 SER A 34 4.505 -8.244 -0.105 1.00 0.00 H new ATOM 0 HG SER A 34 5.488 -8.520 -2.743 1.00 0.00 H new ATOM 512 N TRP A 35 6.373 -6.200 1.126 1.00 0.00 N ATOM 513 CA TRP A 35 6.455 -4.769 1.395 1.00 0.00 C ATOM 514 C TRP A 35 7.675 -4.444 2.249 1.00 0.00 C ATOM 515 O TRP A 35 8.279 -3.381 2.106 1.00 0.00 O ATOM 516 CB TRP A 35 5.184 -4.288 2.096 1.00 0.00 C ATOM 517 CG TRP A 35 3.925 -4.711 1.401 1.00 0.00 C ATOM 518 CD1 TRP A 35 3.386 -5.965 1.374 1.00 0.00 C ATOM 519 CD2 TRP A 35 3.051 -3.879 0.631 1.00 0.00 C ATOM 520 NE1 TRP A 35 2.228 -5.964 0.633 1.00 0.00 N ATOM 521 CE2 TRP A 35 2.000 -4.696 0.167 1.00 0.00 C ATOM 522 CE3 TRP A 35 3.051 -2.524 0.289 1.00 0.00 C ATOM 523 CZ2 TRP A 35 0.964 -4.200 -0.620 1.00 0.00 C ATOM 524 CZ3 TRP A 35 2.022 -2.034 -0.493 1.00 0.00 C ATOM 525 CH2 TRP A 35 0.990 -2.870 -0.939 1.00 0.00 C ATOM 0 H TRP A 35 5.961 -6.748 1.881 1.00 0.00 H new ATOM 0 HA TRP A 35 6.554 -4.251 0.441 1.00 0.00 H new ATOM 0 HB2 TRP A 35 5.173 -4.671 3.116 1.00 0.00 H new ATOM 0 HB3 TRP A 35 5.205 -3.200 2.164 1.00 0.00 H new ATOM 0 HD1 TRP A 35 3.807 -6.831 1.863 1.00 0.00 H new ATOM 0 HE1 TRP A 35 1.635 -6.775 0.459 1.00 0.00 H new ATOM 0 HE3 TRP A 35 3.841 -1.871 0.630 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 0.168 -4.843 -0.966 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 2.013 -0.989 -0.765 1.00 0.00 H new ATOM 0 HH2 TRP A 35 0.199 -2.456 -1.547 1.00 0.00 H new ATOM 536 N SER A 36 8.034 -5.367 3.136 1.00 0.00 N ATOM 537 CA SER A 36 9.181 -5.176 4.016 1.00 0.00 C ATOM 538 C SER A 36 10.350 -4.554 3.258 1.00 0.00 C ATOM 539 O SER A 36 11.118 -3.770 3.814 1.00 0.00 O ATOM 540 CB SER A 36 9.608 -6.511 4.628 1.00 0.00 C ATOM 541 OG SER A 36 10.116 -7.388 3.637 1.00 0.00 O ATOM 0 H SER A 36 7.547 -6.254 3.264 1.00 0.00 H new ATOM 0 HA SER A 36 8.886 -4.496 4.815 1.00 0.00 H new ATOM 0 HB2 SER A 36 10.368 -6.339 5.390 1.00 0.00 H new ATOM 0 HB3 SER A 36 8.757 -6.975 5.127 1.00 0.00 H new ATOM 0 HG SER A 36 9.632 -7.248 2.797 1.00 0.00 H new ATOM 547 N ASP A 37 10.476 -4.910 1.984 1.00 0.00 N ATOM 548 CA ASP A 37 11.550 -4.387 1.147 1.00 0.00 C ATOM 549 C ASP A 37 11.501 -2.863 1.090 1.00 0.00 C ATOM 550 O ASP A 37 12.422 -2.185 1.544 1.00 0.00 O ATOM 551 CB ASP A 37 11.454 -4.966 -0.265 1.00 0.00 C ATOM 552 CG ASP A 37 11.214 -6.463 -0.261 1.00 0.00 C ATOM 553 OD1 ASP A 37 12.195 -7.220 -0.110 1.00 0.00 O ATOM 554 OD2 ASP A 37 10.045 -6.878 -0.411 1.00 0.00 O ATOM 0 H ASP A 37 9.848 -5.558 1.509 1.00 0.00 H new ATOM 0 HA ASP A 37 12.500 -4.686 1.589 1.00 0.00 H new ATOM 0 HB2 ASP A 37 10.644 -4.472 -0.803 1.00 0.00 H new ATOM 0 HB3 ASP A 37 12.375 -4.750 -0.807 1.00 0.00 H new ATOM 559 N GLY A 38 10.420 -2.331 0.528 1.00 0.00 N ATOM 560 CA GLY A 38 10.271 -0.892 0.420 1.00 0.00 C ATOM 561 C GLY A 38 9.653 -0.470 -0.898 1.00 0.00 C ATOM 562 O GLY A 38 8.505 -0.028 -0.939 1.00 0.00 O ATOM 0 H GLY A 38 9.644 -2.872 0.145 1.00 0.00 H new ATOM 0 HA2 GLY A 38 9.651 -0.532 1.240 1.00 0.00 H new ATOM 0 HA3 GLY A 38 11.247 -0.420 0.528 1.00 0.00 H new ATOM 566 N MET A 39 10.415 -0.605 -1.978 1.00 0.00 N ATOM 567 CA MET A 39 9.935 -0.233 -3.304 1.00 0.00 C ATOM 568 C MET A 39 8.448 -0.540 -3.448 1.00 0.00 C ATOM 569 O MET A 39 7.694 0.248 -4.020 1.00 0.00 O ATOM 570 CB MET A 39 10.728 -0.973 -4.383 1.00 0.00 C ATOM 571 CG MET A 39 12.217 -0.669 -4.358 1.00 0.00 C ATOM 572 SD MET A 39 13.098 -1.403 -5.749 1.00 0.00 S ATOM 573 CE MET A 39 13.728 0.063 -6.563 1.00 0.00 C ATOM 0 H MET A 39 11.368 -0.969 -1.961 1.00 0.00 H new ATOM 0 HA MET A 39 10.081 0.840 -3.429 1.00 0.00 H new ATOM 0 HB2 MET A 39 10.582 -2.046 -4.258 1.00 0.00 H new ATOM 0 HB3 MET A 39 10.328 -0.709 -5.362 1.00 0.00 H new ATOM 0 HG2 MET A 39 12.364 0.411 -4.369 1.00 0.00 H new ATOM 0 HG3 MET A 39 12.644 -1.039 -3.426 1.00 0.00 H new ATOM 0 HE1 MET A 39 14.298 -0.227 -7.446 1.00 0.00 H new ATOM 0 HE2 MET A 39 12.895 0.700 -6.862 1.00 0.00 H new ATOM 0 HE3 MET A 39 14.375 0.610 -5.877 1.00 0.00 H new ATOM 583 N ALA A 40 8.032 -1.690 -2.928 1.00 0.00 N ATOM 584 CA ALA A 40 6.635 -2.100 -2.998 1.00 0.00 C ATOM 585 C ALA A 40 5.704 -0.927 -2.708 1.00 0.00 C ATOM 586 O ALA A 40 5.013 -0.435 -3.600 1.00 0.00 O ATOM 587 CB ALA A 40 6.370 -3.240 -2.026 1.00 0.00 C ATOM 0 H ALA A 40 8.643 -2.355 -2.453 1.00 0.00 H new ATOM 0 HA ALA A 40 6.434 -2.448 -4.011 1.00 0.00 H new ATOM 0 HB1 ALA A 40 5.323 -3.536 -2.089 1.00 0.00 H new ATOM 0 HB2 ALA A 40 7.003 -4.090 -2.281 1.00 0.00 H new ATOM 0 HB3 ALA A 40 6.594 -2.912 -1.011 1.00 0.00 H new ATOM 593 N PHE A 41 5.690 -0.485 -1.455 1.00 0.00 N ATOM 594 CA PHE A 41 4.842 0.629 -1.047 1.00 0.00 C ATOM 595 C PHE A 41 4.984 1.802 -2.012 1.00 0.00 C ATOM 596 O PHE A 41 3.989 2.361 -2.477 1.00 0.00 O ATOM 597 CB PHE A 41 5.198 1.075 0.373 1.00 0.00 C ATOM 598 CG PHE A 41 4.431 0.347 1.440 1.00 0.00 C ATOM 599 CD1 PHE A 41 3.055 0.473 1.531 1.00 0.00 C ATOM 600 CD2 PHE A 41 5.088 -0.462 2.353 1.00 0.00 C ATOM 601 CE1 PHE A 41 2.346 -0.196 2.512 1.00 0.00 C ATOM 602 CE2 PHE A 41 4.386 -1.134 3.335 1.00 0.00 C ATOM 603 CZ PHE A 41 3.013 -1.000 3.416 1.00 0.00 C ATOM 0 H PHE A 41 6.256 -0.881 -0.705 1.00 0.00 H new ATOM 0 HA PHE A 41 3.806 0.291 -1.065 1.00 0.00 H new ATOM 0 HB2 PHE A 41 6.265 0.923 0.536 1.00 0.00 H new ATOM 0 HB3 PHE A 41 5.010 2.145 0.467 1.00 0.00 H new ATOM 0 HD1 PHE A 41 2.529 1.101 0.827 1.00 0.00 H new ATOM 0 HD2 PHE A 41 6.161 -0.569 2.296 1.00 0.00 H new ATOM 0 HE1 PHE A 41 1.273 -0.090 2.571 1.00 0.00 H new ATOM 0 HE2 PHE A 41 4.910 -1.764 4.039 1.00 0.00 H new ATOM 0 HZ PHE A 41 2.463 -1.523 4.184 1.00 0.00 H new ATOM 613 N CYS A 42 6.225 2.170 -2.307 1.00 0.00 N ATOM 614 CA CYS A 42 6.499 3.278 -3.216 1.00 0.00 C ATOM 615 C CYS A 42 5.716 3.122 -4.515 1.00 0.00 C ATOM 616 O CYS A 42 4.807 3.901 -4.801 1.00 0.00 O ATOM 617 CB CYS A 42 7.996 3.362 -3.515 1.00 0.00 C ATOM 618 SG CYS A 42 8.998 3.920 -2.117 1.00 0.00 S ATOM 0 H CYS A 42 7.058 1.718 -1.930 1.00 0.00 H new ATOM 0 HA CYS A 42 6.181 4.201 -2.730 1.00 0.00 H new ATOM 0 HB2 CYS A 42 8.348 2.380 -3.831 1.00 0.00 H new ATOM 0 HB3 CYS A 42 8.151 4.041 -4.353 1.00 0.00 H new ATOM 0 HG CYS A 42 8.418 3.581 -1.004 1.00 0.00 H new ATOM 624 N ALA A 43 6.076 2.111 -5.299 1.00 0.00 N ATOM 625 CA ALA A 43 5.407 1.852 -6.568 1.00 0.00 C ATOM 626 C ALA A 43 3.901 2.054 -6.445 1.00 0.00 C ATOM 627 O ALA A 43 3.308 2.843 -7.182 1.00 0.00 O ATOM 628 CB ALA A 43 5.715 0.442 -7.049 1.00 0.00 C ATOM 0 H ALA A 43 6.827 1.458 -5.077 1.00 0.00 H new ATOM 0 HA ALA A 43 5.784 2.564 -7.302 1.00 0.00 H new ATOM 0 HB1 ALA A 43 5.209 0.262 -7.998 1.00 0.00 H new ATOM 0 HB2 ALA A 43 6.791 0.331 -7.185 1.00 0.00 H new ATOM 0 HB3 ALA A 43 5.366 -0.279 -6.310 1.00 0.00 H new ATOM 634 N LEU A 44 3.286 1.336 -5.511 1.00 0.00 N ATOM 635 CA LEU A 44 1.847 1.436 -5.293 1.00 0.00 C ATOM 636 C LEU A 44 1.398 2.894 -5.280 1.00 0.00 C ATOM 637 O LEU A 44 0.377 3.245 -5.870 1.00 0.00 O ATOM 638 CB LEU A 44 1.463 0.761 -3.975 1.00 0.00 C ATOM 639 CG LEU A 44 -0.029 0.731 -3.646 1.00 0.00 C ATOM 640 CD1 LEU A 44 -0.746 -0.295 -4.509 1.00 0.00 C ATOM 641 CD2 LEU A 44 -0.244 0.432 -2.169 1.00 0.00 C ATOM 0 H LEU A 44 3.761 0.679 -4.893 1.00 0.00 H new ATOM 0 HA LEU A 44 1.344 0.927 -6.115 1.00 0.00 H new ATOM 0 HB2 LEU A 44 1.831 -0.265 -3.995 1.00 0.00 H new ATOM 0 HB3 LEU A 44 1.983 1.271 -3.164 1.00 0.00 H new ATOM 0 HG LEU A 44 -0.448 1.714 -3.862 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -1.807 -0.302 -4.260 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -0.621 -0.037 -5.561 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -0.324 -1.283 -4.326 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -1.312 0.415 -1.953 1.00 0.00 H new ATOM 0 HD22 LEU A 44 0.191 -0.538 -1.927 1.00 0.00 H new ATOM 0 HD23 LEU A 44 0.235 1.205 -1.568 1.00 0.00 H new ATOM 653 N VAL A 45 2.170 3.740 -4.605 1.00 0.00 N ATOM 654 CA VAL A 45 1.854 5.160 -4.518 1.00 0.00 C ATOM 655 C VAL A 45 2.134 5.868 -5.839 1.00 0.00 C ATOM 656 O VAL A 45 1.229 6.425 -6.461 1.00 0.00 O ATOM 657 CB VAL A 45 2.661 5.847 -3.399 1.00 0.00 C ATOM 658 CG1 VAL A 45 2.346 7.334 -3.350 1.00 0.00 C ATOM 659 CG2 VAL A 45 2.378 5.189 -2.057 1.00 0.00 C ATOM 0 H VAL A 45 3.019 3.466 -4.110 1.00 0.00 H new ATOM 0 HA VAL A 45 0.791 5.234 -4.288 1.00 0.00 H new ATOM 0 HB VAL A 45 3.723 5.732 -3.617 1.00 0.00 H new ATOM 0 HG11 VAL A 45 2.925 7.803 -2.554 1.00 0.00 H new ATOM 0 HG12 VAL A 45 2.604 7.792 -4.305 1.00 0.00 H new ATOM 0 HG13 VAL A 45 1.283 7.474 -3.156 1.00 0.00 H new ATOM 0 HG21 VAL A 45 2.956 5.687 -1.279 1.00 0.00 H new ATOM 0 HG22 VAL A 45 1.315 5.271 -1.828 1.00 0.00 H new ATOM 0 HG23 VAL A 45 2.659 4.137 -2.101 1.00 0.00 H new ATOM 669 N HIS A 46 3.394 5.841 -6.263 1.00 0.00 N ATOM 670 CA HIS A 46 3.793 6.479 -7.512 1.00 0.00 C ATOM 671 C HIS A 46 2.725 6.289 -8.585 1.00 0.00 C ATOM 672 O HIS A 46 2.454 7.196 -9.371 1.00 0.00 O ATOM 673 CB HIS A 46 5.127 5.909 -7.997 1.00 0.00 C ATOM 674 CG HIS A 46 5.682 6.617 -9.194 1.00 0.00 C ATOM 675 ND1 HIS A 46 6.606 7.601 -9.290 1.00 0.00 N flip ATOM 676 CD2 HIS A 46 5.286 6.338 -10.485 1.00 0.00 C flip ATOM 677 CE1 HIS A 46 6.752 7.894 -10.624 1.00 0.00 C flip ATOM 678 NE2 HIS A 46 5.944 7.118 -11.324 1.00 0.00 N flip ATOM 0 H HIS A 46 4.155 5.385 -5.760 1.00 0.00 H new ATOM 0 HA HIS A 46 3.909 7.547 -7.325 1.00 0.00 H new ATOM 0 HB2 HIS A 46 5.852 5.963 -7.185 1.00 0.00 H new ATOM 0 HB3 HIS A 46 4.996 4.854 -8.238 1.00 0.00 H new ATOM 0 HD1 HIS A 46 7.102 8.043 -8.516 1.00 0.00 H new ATOM 0 HD2 HIS A 46 4.552 5.597 -10.766 1.00 0.00 H new ATOM 0 HE1 HIS A 46 7.419 8.638 -11.034 1.00 0.00 H new ATOM 687 N ASN A 47 2.123 5.105 -8.611 1.00 0.00 N ATOM 688 CA ASN A 47 1.086 4.796 -9.589 1.00 0.00 C ATOM 689 C ASN A 47 -0.008 5.859 -9.575 1.00 0.00 C ATOM 690 O ASN A 47 -0.412 6.363 -10.623 1.00 0.00 O ATOM 691 CB ASN A 47 0.480 3.420 -9.302 1.00 0.00 C ATOM 692 CG ASN A 47 -0.282 2.865 -10.491 1.00 0.00 C ATOM 693 OD1 ASN A 47 0.294 2.621 -11.551 1.00 0.00 O ATOM 694 ND2 ASN A 47 -1.583 2.664 -10.318 1.00 0.00 N ATOM 0 H ASN A 47 2.335 4.344 -7.966 1.00 0.00 H new ATOM 0 HA ASN A 47 1.544 4.785 -10.578 1.00 0.00 H new ATOM 0 HB2 ASN A 47 1.274 2.726 -9.027 1.00 0.00 H new ATOM 0 HB3 ASN A 47 -0.191 3.493 -8.446 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -2.148 2.293 -11.082 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -2.018 2.881 -9.421 1.00 0.00 H new ATOM 701 N PHE A 48 -0.483 6.197 -8.381 1.00 0.00 N ATOM 702 CA PHE A 48 -1.530 7.200 -8.230 1.00 0.00 C ATOM 703 C PHE A 48 -0.984 8.600 -8.495 1.00 0.00 C ATOM 704 O PHE A 48 -1.560 9.367 -9.268 1.00 0.00 O ATOM 705 CB PHE A 48 -2.132 7.133 -6.825 1.00 0.00 C ATOM 706 CG PHE A 48 -2.165 5.744 -6.253 1.00 0.00 C ATOM 707 CD1 PHE A 48 -2.819 4.721 -6.921 1.00 0.00 C ATOM 708 CD2 PHE A 48 -1.542 5.462 -5.048 1.00 0.00 C ATOM 709 CE1 PHE A 48 -2.852 3.443 -6.396 1.00 0.00 C ATOM 710 CE2 PHE A 48 -1.571 4.185 -4.519 1.00 0.00 C ATOM 711 CZ PHE A 48 -2.226 3.174 -5.195 1.00 0.00 C ATOM 0 H PHE A 48 -0.159 5.791 -7.503 1.00 0.00 H new ATOM 0 HA PHE A 48 -2.309 6.988 -8.962 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -1.556 7.777 -6.161 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -3.147 7.530 -6.854 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -3.308 4.925 -7.862 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -1.028 6.249 -4.516 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -3.367 2.655 -6.925 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -1.082 3.978 -3.578 1.00 0.00 H new ATOM 0 HZ PHE A 48 -2.248 2.175 -4.785 1.00 0.00 H new ATOM 721 N PHE A 49 0.129 8.927 -7.848 1.00 0.00 N ATOM 722 CA PHE A 49 0.753 10.234 -8.012 1.00 0.00 C ATOM 723 C PHE A 49 2.237 10.092 -8.340 1.00 0.00 C ATOM 724 O PHE A 49 3.098 10.115 -7.460 1.00 0.00 O ATOM 725 CB PHE A 49 0.578 11.069 -6.742 1.00 0.00 C ATOM 726 CG PHE A 49 -0.785 10.940 -6.123 1.00 0.00 C ATOM 727 CD1 PHE A 49 -1.060 9.918 -5.228 1.00 0.00 C ATOM 728 CD2 PHE A 49 -1.791 11.840 -6.436 1.00 0.00 C ATOM 729 CE1 PHE A 49 -2.312 9.797 -4.657 1.00 0.00 C ATOM 730 CE2 PHE A 49 -3.045 11.724 -5.867 1.00 0.00 C ATOM 731 CZ PHE A 49 -3.306 10.700 -4.977 1.00 0.00 C ATOM 0 H PHE A 49 0.618 8.304 -7.205 1.00 0.00 H new ATOM 0 HA PHE A 49 0.262 10.741 -8.843 1.00 0.00 H new ATOM 0 HB2 PHE A 49 1.330 10.768 -6.012 1.00 0.00 H new ATOM 0 HB3 PHE A 49 0.764 12.117 -6.977 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -0.287 9.208 -4.974 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -1.593 12.641 -7.133 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -2.513 8.996 -3.961 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -3.820 12.433 -6.118 1.00 0.00 H new ATOM 0 HZ PHE A 49 -4.286 10.606 -4.532 1.00 0.00 H new ATOM 741 N PRO A 50 2.544 9.942 -9.637 1.00 0.00 N ATOM 742 CA PRO A 50 3.922 9.793 -10.112 1.00 0.00 C ATOM 743 C PRO A 50 4.727 11.080 -9.970 1.00 0.00 C ATOM 744 O PRO A 50 5.921 11.047 -9.676 1.00 0.00 O ATOM 745 CB PRO A 50 3.751 9.429 -11.589 1.00 0.00 C ATOM 746 CG PRO A 50 2.429 9.999 -11.969 1.00 0.00 C ATOM 747 CD PRO A 50 1.568 9.905 -10.739 1.00 0.00 C ATOM 0 HA PRO A 50 4.473 9.049 -9.537 1.00 0.00 H new ATOM 0 HB2 PRO A 50 4.553 9.850 -12.196 1.00 0.00 H new ATOM 0 HB3 PRO A 50 3.773 8.349 -11.736 1.00 0.00 H new ATOM 0 HG2 PRO A 50 2.530 11.034 -12.297 1.00 0.00 H new ATOM 0 HG3 PRO A 50 1.988 9.444 -12.797 1.00 0.00 H new ATOM 0 HD2 PRO A 50 0.862 10.733 -10.678 1.00 0.00 H new ATOM 0 HD3 PRO A 50 0.983 8.985 -10.727 1.00 0.00 H new ATOM 755 N GLU A 51 4.063 12.213 -10.181 1.00 0.00 N ATOM 756 CA GLU A 51 4.718 13.512 -10.077 1.00 0.00 C ATOM 757 C GLU A 51 5.110 13.809 -8.633 1.00 0.00 C ATOM 758 O GLU A 51 6.201 14.311 -8.365 1.00 0.00 O ATOM 759 CB GLU A 51 3.799 14.615 -10.606 1.00 0.00 C ATOM 760 CG GLU A 51 3.681 14.635 -12.120 1.00 0.00 C ATOM 761 CD GLU A 51 3.386 16.020 -12.664 1.00 0.00 C ATOM 762 OE1 GLU A 51 4.308 16.862 -12.672 1.00 0.00 O ATOM 763 OE2 GLU A 51 2.234 16.261 -13.081 1.00 0.00 O ATOM 0 H GLU A 51 3.074 12.257 -10.425 1.00 0.00 H new ATOM 0 HA GLU A 51 5.624 13.483 -10.682 1.00 0.00 H new ATOM 0 HB2 GLU A 51 2.806 14.487 -10.174 1.00 0.00 H new ATOM 0 HB3 GLU A 51 4.172 15.581 -10.266 1.00 0.00 H new ATOM 0 HG2 GLU A 51 4.609 14.267 -12.558 1.00 0.00 H new ATOM 0 HG3 GLU A 51 2.890 13.952 -12.428 1.00 0.00 H new ATOM 770 N ALA A 52 4.211 13.496 -7.705 1.00 0.00 N ATOM 771 CA ALA A 52 4.462 13.728 -6.288 1.00 0.00 C ATOM 772 C ALA A 52 5.895 13.361 -5.918 1.00 0.00 C ATOM 773 O ALA A 52 6.573 14.104 -5.207 1.00 0.00 O ATOM 774 CB ALA A 52 3.477 12.937 -5.441 1.00 0.00 C ATOM 0 H ALA A 52 3.302 13.081 -7.910 1.00 0.00 H new ATOM 0 HA ALA A 52 4.323 14.791 -6.089 1.00 0.00 H new ATOM 0 HB1 ALA A 52 3.676 13.120 -4.385 1.00 0.00 H new ATOM 0 HB2 ALA A 52 2.460 13.250 -5.678 1.00 0.00 H new ATOM 0 HB3 ALA A 52 3.588 11.873 -5.652 1.00 0.00 H new ATOM 780 N PHE A 53 6.351 12.211 -6.402 1.00 0.00 N ATOM 781 CA PHE A 53 7.703 11.744 -6.120 1.00 0.00 C ATOM 782 C PHE A 53 8.210 10.837 -7.237 1.00 0.00 C ATOM 783 O PHE A 53 7.423 10.251 -7.981 1.00 0.00 O ATOM 784 CB PHE A 53 7.740 10.998 -4.785 1.00 0.00 C ATOM 785 CG PHE A 53 7.296 9.567 -4.886 1.00 0.00 C ATOM 786 CD1 PHE A 53 5.948 9.248 -4.946 1.00 0.00 C ATOM 787 CD2 PHE A 53 8.225 8.540 -4.922 1.00 0.00 C ATOM 788 CE1 PHE A 53 5.537 7.932 -5.038 1.00 0.00 C ATOM 789 CE2 PHE A 53 7.819 7.222 -5.015 1.00 0.00 C ATOM 790 CZ PHE A 53 6.473 6.918 -5.074 1.00 0.00 C ATOM 0 H PHE A 53 5.803 11.585 -6.992 1.00 0.00 H new ATOM 0 HA PHE A 53 8.356 12.615 -6.060 1.00 0.00 H new ATOM 0 HB2 PHE A 53 8.755 11.028 -4.389 1.00 0.00 H new ATOM 0 HB3 PHE A 53 7.103 11.518 -4.069 1.00 0.00 H new ATOM 0 HD1 PHE A 53 5.211 10.037 -4.921 1.00 0.00 H new ATOM 0 HD2 PHE A 53 9.279 8.772 -4.877 1.00 0.00 H new ATOM 0 HE1 PHE A 53 4.484 7.697 -5.082 1.00 0.00 H new ATOM 0 HE2 PHE A 53 8.554 6.431 -5.042 1.00 0.00 H new ATOM 0 HZ PHE A 53 6.153 5.889 -5.148 1.00 0.00 H new ATOM 800 N ASP A 54 9.529 10.726 -7.349 1.00 0.00 N ATOM 801 CA ASP A 54 10.142 9.890 -8.374 1.00 0.00 C ATOM 802 C ASP A 54 10.306 8.456 -7.880 1.00 0.00 C ATOM 803 O ASP A 54 10.474 8.216 -6.684 1.00 0.00 O ATOM 804 CB ASP A 54 11.501 10.460 -8.782 1.00 0.00 C ATOM 805 CG ASP A 54 11.399 11.876 -9.314 1.00 0.00 C ATOM 806 OD1 ASP A 54 11.388 12.818 -8.495 1.00 0.00 O ATOM 807 OD2 ASP A 54 11.329 12.042 -10.550 1.00 0.00 O ATOM 0 H ASP A 54 10.194 11.205 -6.742 1.00 0.00 H new ATOM 0 HA ASP A 54 9.484 9.883 -9.243 1.00 0.00 H new ATOM 0 HB2 ASP A 54 12.171 10.445 -7.922 1.00 0.00 H new ATOM 0 HB3 ASP A 54 11.946 9.820 -9.544 1.00 0.00 H new ATOM 812 N TYR A 55 10.254 7.506 -8.808 1.00 0.00 N ATOM 813 CA TYR A 55 10.393 6.096 -8.466 1.00 0.00 C ATOM 814 C TYR A 55 11.815 5.609 -8.728 1.00 0.00 C ATOM 815 O TYR A 55 12.554 5.285 -7.800 1.00 0.00 O ATOM 816 CB TYR A 55 9.398 5.255 -9.267 1.00 0.00 C ATOM 817 CG TYR A 55 9.581 3.765 -9.087 1.00 0.00 C ATOM 818 CD1 TYR A 55 9.308 3.154 -7.870 1.00 0.00 C ATOM 819 CD2 TYR A 55 10.029 2.968 -10.134 1.00 0.00 C ATOM 820 CE1 TYR A 55 9.475 1.793 -7.700 1.00 0.00 C ATOM 821 CE2 TYR A 55 10.197 1.607 -9.974 1.00 0.00 C ATOM 822 CZ TYR A 55 9.919 1.023 -8.755 1.00 0.00 C ATOM 823 OH TYR A 55 10.086 -0.332 -8.591 1.00 0.00 O ATOM 0 H TYR A 55 10.117 7.687 -9.802 1.00 0.00 H new ATOM 0 HA TYR A 55 10.180 5.984 -7.403 1.00 0.00 H new ATOM 0 HB2 TYR A 55 8.385 5.526 -8.971 1.00 0.00 H new ATOM 0 HB3 TYR A 55 9.497 5.500 -10.325 1.00 0.00 H new ATOM 0 HD1 TYR A 55 8.959 3.753 -7.042 1.00 0.00 H new ATOM 0 HD2 TYR A 55 10.249 3.421 -11.089 1.00 0.00 H new ATOM 0 HE1 TYR A 55 9.259 1.334 -6.746 1.00 0.00 H new ATOM 0 HE2 TYR A 55 10.544 1.002 -10.799 1.00 0.00 H new ATOM 0 HH TYR A 55 10.403 -0.726 -9.430 1.00 0.00 H new ATOM 833 N GLY A 56 12.191 5.562 -10.003 1.00 0.00 N ATOM 834 CA GLY A 56 13.523 5.114 -10.367 1.00 0.00 C ATOM 835 C GLY A 56 14.610 5.856 -9.614 1.00 0.00 C ATOM 836 O GLY A 56 15.732 5.367 -9.490 1.00 0.00 O ATOM 0 H GLY A 56 11.598 5.826 -10.789 1.00 0.00 H new ATOM 0 HA2 GLY A 56 13.611 4.046 -10.167 1.00 0.00 H new ATOM 0 HA3 GLY A 56 13.669 5.251 -11.438 1.00 0.00 H new ATOM 840 N GLN A 57 14.276 7.041 -9.113 1.00 0.00 N ATOM 841 CA GLN A 57 15.234 7.853 -8.371 1.00 0.00 C ATOM 842 C GLN A 57 15.620 7.177 -7.060 1.00 0.00 C ATOM 843 O GLN A 57 16.760 7.285 -6.605 1.00 0.00 O ATOM 844 CB GLN A 57 14.651 9.239 -8.091 1.00 0.00 C ATOM 845 CG GLN A 57 14.570 10.125 -9.324 1.00 0.00 C ATOM 846 CD GLN A 57 15.925 10.650 -9.756 1.00 0.00 C ATOM 847 OE1 GLN A 57 16.925 10.464 -9.063 1.00 0.00 O ATOM 848 NE2 GLN A 57 15.965 11.311 -10.907 1.00 0.00 N ATOM 0 H GLN A 57 13.351 7.460 -9.207 1.00 0.00 H new ATOM 0 HA GLN A 57 16.131 7.960 -8.981 1.00 0.00 H new ATOM 0 HB2 GLN A 57 13.652 9.126 -7.669 1.00 0.00 H new ATOM 0 HB3 GLN A 57 15.261 9.735 -7.337 1.00 0.00 H new ATOM 0 HG2 GLN A 57 14.125 9.561 -10.144 1.00 0.00 H new ATOM 0 HG3 GLN A 57 13.907 10.966 -9.120 1.00 0.00 H new ATOM 0 HE21 GLN A 57 15.111 11.442 -11.450 1.00 0.00 H new ATOM 0 HE22 GLN A 57 16.849 11.688 -11.248 1.00 0.00 H new ATOM 857 N LEU A 58 14.664 6.480 -6.455 1.00 0.00 N ATOM 858 CA LEU A 58 14.903 5.786 -5.195 1.00 0.00 C ATOM 859 C LEU A 58 15.774 4.552 -5.410 1.00 0.00 C ATOM 860 O LEU A 58 15.986 4.119 -6.542 1.00 0.00 O ATOM 861 CB LEU A 58 13.575 5.381 -4.553 1.00 0.00 C ATOM 862 CG LEU A 58 12.538 6.494 -4.397 1.00 0.00 C ATOM 863 CD1 LEU A 58 11.152 5.906 -4.184 1.00 0.00 C ATOM 864 CD2 LEU A 58 12.912 7.413 -3.243 1.00 0.00 C ATOM 0 H LEU A 58 13.716 6.381 -6.817 1.00 0.00 H new ATOM 0 HA LEU A 58 15.429 6.468 -4.527 1.00 0.00 H new ATOM 0 HB2 LEU A 58 13.134 4.582 -5.150 1.00 0.00 H new ATOM 0 HB3 LEU A 58 13.783 4.965 -3.567 1.00 0.00 H new ATOM 0 HG LEU A 58 12.524 7.082 -5.314 1.00 0.00 H new ATOM 0 HD11 LEU A 58 10.427 6.713 -4.075 1.00 0.00 H new ATOM 0 HD12 LEU A 58 10.883 5.290 -5.042 1.00 0.00 H new ATOM 0 HD13 LEU A 58 11.151 5.293 -3.282 1.00 0.00 H new ATOM 0 HD21 LEU A 58 12.163 8.199 -3.147 1.00 0.00 H new ATOM 0 HD22 LEU A 58 12.955 6.837 -2.318 1.00 0.00 H new ATOM 0 HD23 LEU A 58 13.886 7.862 -3.436 1.00 0.00 H new ATOM 876 N SER A 59 16.275 3.990 -4.314 1.00 0.00 N ATOM 877 CA SER A 59 17.125 2.807 -4.383 1.00 0.00 C ATOM 878 C SER A 59 16.583 1.696 -3.488 1.00 0.00 C ATOM 879 O SER A 59 15.900 1.943 -2.493 1.00 0.00 O ATOM 880 CB SER A 59 18.556 3.156 -3.971 1.00 0.00 C ATOM 881 OG SER A 59 19.313 3.599 -5.084 1.00 0.00 O ATOM 0 H SER A 59 16.107 4.335 -3.369 1.00 0.00 H new ATOM 0 HA SER A 59 17.128 2.452 -5.413 1.00 0.00 H new ATOM 0 HB2 SER A 59 18.539 3.933 -3.207 1.00 0.00 H new ATOM 0 HB3 SER A 59 19.033 2.282 -3.527 1.00 0.00 H new ATOM 0 HG SER A 59 20.223 3.818 -4.794 1.00 0.00 H new ATOM 887 N PRO A 60 16.894 0.442 -3.848 1.00 0.00 N ATOM 888 CA PRO A 60 16.449 -0.732 -3.091 1.00 0.00 C ATOM 889 C PRO A 60 17.141 -0.845 -1.737 1.00 0.00 C ATOM 890 O PRO A 60 16.579 -1.391 -0.788 1.00 0.00 O ATOM 891 CB PRO A 60 16.843 -1.905 -3.993 1.00 0.00 C ATOM 892 CG PRO A 60 17.976 -1.389 -4.811 1.00 0.00 C ATOM 893 CD PRO A 60 17.704 0.074 -5.021 1.00 0.00 C ATOM 0 HA PRO A 60 15.384 -0.691 -2.863 1.00 0.00 H new ATOM 0 HB2 PRO A 60 17.142 -2.773 -3.406 1.00 0.00 H new ATOM 0 HB3 PRO A 60 16.010 -2.218 -4.623 1.00 0.00 H new ATOM 0 HG2 PRO A 60 18.927 -1.539 -4.299 1.00 0.00 H new ATOM 0 HG3 PRO A 60 18.040 -1.914 -5.764 1.00 0.00 H new ATOM 0 HD2 PRO A 60 18.627 0.652 -5.069 1.00 0.00 H new ATOM 0 HD3 PRO A 60 17.167 0.253 -5.952 1.00 0.00 H new ATOM 901 N GLN A 61 18.362 -0.326 -1.657 1.00 0.00 N ATOM 902 CA GLN A 61 19.130 -0.370 -0.418 1.00 0.00 C ATOM 903 C GLN A 61 18.591 0.637 0.592 1.00 0.00 C ATOM 904 O GLN A 61 19.048 0.692 1.733 1.00 0.00 O ATOM 905 CB GLN A 61 20.607 -0.090 -0.698 1.00 0.00 C ATOM 906 CG GLN A 61 21.417 -1.340 -1.000 1.00 0.00 C ATOM 907 CD GLN A 61 21.971 -1.992 0.252 1.00 0.00 C ATOM 908 OE1 GLN A 61 23.136 -1.801 0.602 1.00 0.00 O ATOM 909 NE2 GLN A 61 21.137 -2.767 0.935 1.00 0.00 N ATOM 0 H GLN A 61 18.840 0.129 -2.434 1.00 0.00 H new ATOM 0 HA GLN A 61 19.032 -1.370 0.006 1.00 0.00 H new ATOM 0 HB2 GLN A 61 20.685 0.596 -1.542 1.00 0.00 H new ATOM 0 HB3 GLN A 61 21.042 0.415 0.164 1.00 0.00 H new ATOM 0 HG2 GLN A 61 20.789 -2.056 -1.531 1.00 0.00 H new ATOM 0 HG3 GLN A 61 22.241 -1.083 -1.666 1.00 0.00 H new ATOM 0 HE21 GLN A 61 20.179 -2.898 0.609 1.00 0.00 H new ATOM 0 HE22 GLN A 61 21.454 -3.232 1.786 1.00 0.00 H new ATOM 918 N ASN A 62 17.617 1.434 0.164 1.00 0.00 N ATOM 919 CA ASN A 62 17.017 2.441 1.032 1.00 0.00 C ATOM 920 C ASN A 62 15.752 1.904 1.695 1.00 0.00 C ATOM 921 O ASN A 62 14.697 2.535 1.646 1.00 0.00 O ATOM 922 CB ASN A 62 16.689 3.703 0.232 1.00 0.00 C ATOM 923 CG ASN A 62 17.868 4.652 0.140 1.00 0.00 C ATOM 924 OD1 ASN A 62 18.837 4.530 0.889 1.00 0.00 O ATOM 925 ND2 ASN A 62 17.791 5.604 -0.783 1.00 0.00 N ATOM 0 H ASN A 62 17.227 1.402 -0.778 1.00 0.00 H new ATOM 0 HA ASN A 62 17.738 2.689 1.811 1.00 0.00 H new ATOM 0 HB2 ASN A 62 16.374 3.421 -0.773 1.00 0.00 H new ATOM 0 HB3 ASN A 62 15.848 4.217 0.698 1.00 0.00 H new ATOM 0 HD21 ASN A 62 18.555 6.271 -0.892 1.00 0.00 H new ATOM 0 HD22 ASN A 62 16.968 5.668 -1.382 1.00 0.00 H new ATOM 932 N ARG A 63 15.868 0.734 2.316 1.00 0.00 N ATOM 933 CA ARG A 63 14.735 0.112 2.990 1.00 0.00 C ATOM 934 C ARG A 63 13.963 1.136 3.816 1.00 0.00 C ATOM 935 O ARG A 63 12.748 1.024 3.985 1.00 0.00 O ATOM 936 CB ARG A 63 15.213 -1.029 3.890 1.00 0.00 C ATOM 937 CG ARG A 63 15.763 -2.220 3.123 1.00 0.00 C ATOM 938 CD ARG A 63 16.630 -3.101 4.010 1.00 0.00 C ATOM 939 NE ARG A 63 16.952 -4.374 3.370 1.00 0.00 N ATOM 940 CZ ARG A 63 16.060 -5.335 3.156 1.00 0.00 C ATOM 941 NH1 ARG A 63 14.799 -5.169 3.530 1.00 0.00 N ATOM 942 NH2 ARG A 63 16.429 -6.466 2.568 1.00 0.00 N ATOM 0 H ARG A 63 16.735 0.199 2.366 1.00 0.00 H new ATOM 0 HA ARG A 63 14.068 -0.290 2.227 1.00 0.00 H new ATOM 0 HB2 ARG A 63 15.985 -0.652 4.561 1.00 0.00 H new ATOM 0 HB3 ARG A 63 14.383 -1.361 4.513 1.00 0.00 H new ATOM 0 HG2 ARG A 63 14.938 -2.807 2.720 1.00 0.00 H new ATOM 0 HG3 ARG A 63 16.349 -1.868 2.274 1.00 0.00 H new ATOM 0 HD2 ARG A 63 17.553 -2.574 4.253 1.00 0.00 H new ATOM 0 HD3 ARG A 63 16.113 -3.289 4.951 1.00 0.00 H new ATOM 0 HE ARG A 63 17.914 -4.534 3.071 1.00 0.00 H new ATOM 0 HH11 ARG A 63 14.511 -4.302 3.983 1.00 0.00 H new ATOM 0 HH12 ARG A 63 14.116 -5.909 3.364 1.00 0.00 H new ATOM 0 HH21 ARG A 63 17.398 -6.598 2.280 1.00 0.00 H new ATOM 0 HH22 ARG A 63 15.743 -7.203 2.404 1.00 0.00 H new ATOM 956 N ARG A 64 14.676 2.135 4.327 1.00 0.00 N ATOM 957 CA ARG A 64 14.058 3.178 5.136 1.00 0.00 C ATOM 958 C ARG A 64 13.353 4.204 4.255 1.00 0.00 C ATOM 959 O ARG A 64 12.130 4.332 4.292 1.00 0.00 O ATOM 960 CB ARG A 64 15.111 3.872 6.003 1.00 0.00 C ATOM 961 CG ARG A 64 14.532 4.577 7.218 1.00 0.00 C ATOM 962 CD ARG A 64 15.579 5.427 7.921 1.00 0.00 C ATOM 963 NE ARG A 64 14.974 6.435 8.788 1.00 0.00 N ATOM 964 CZ ARG A 64 14.558 6.186 10.024 1.00 0.00 C ATOM 965 NH1 ARG A 64 14.681 4.969 10.537 1.00 0.00 N ATOM 966 NH2 ARG A 64 14.017 7.155 10.751 1.00 0.00 N ATOM 0 H ARG A 64 15.682 2.244 4.195 1.00 0.00 H new ATOM 0 HA ARG A 64 13.316 2.709 5.782 1.00 0.00 H new ATOM 0 HB2 ARG A 64 15.840 3.133 6.336 1.00 0.00 H new ATOM 0 HB3 ARG A 64 15.649 4.599 5.394 1.00 0.00 H new ATOM 0 HG2 ARG A 64 13.697 5.207 6.911 1.00 0.00 H new ATOM 0 HG3 ARG A 64 14.135 3.838 7.914 1.00 0.00 H new ATOM 0 HD2 ARG A 64 16.230 4.784 8.513 1.00 0.00 H new ATOM 0 HD3 ARG A 64 16.206 5.918 7.177 1.00 0.00 H new ATOM 0 HE ARG A 64 14.865 7.382 8.424 1.00 0.00 H new ATOM 0 HH11 ARG A 64 15.096 4.221 9.982 1.00 0.00 H new ATOM 0 HH12 ARG A 64 14.360 4.781 11.487 1.00 0.00 H new ATOM 0 HH21 ARG A 64 13.920 8.092 10.360 1.00 0.00 H new ATOM 0 HH22 ARG A 64 13.698 6.963 11.700 1.00 0.00 H new ATOM 980 N GLN A 65 14.134 4.933 3.463 1.00 0.00 N ATOM 981 CA GLN A 65 13.584 5.948 2.573 1.00 0.00 C ATOM 982 C GLN A 65 12.343 5.428 1.854 1.00 0.00 C ATOM 983 O GLN A 65 11.285 6.054 1.891 1.00 0.00 O ATOM 984 CB GLN A 65 14.635 6.384 1.551 1.00 0.00 C ATOM 985 CG GLN A 65 14.472 7.823 1.087 1.00 0.00 C ATOM 986 CD GLN A 65 15.791 8.466 0.706 1.00 0.00 C ATOM 987 OE1 GLN A 65 16.817 8.231 1.346 1.00 0.00 O ATOM 988 NE2 GLN A 65 15.772 9.282 -0.341 1.00 0.00 N ATOM 0 H GLN A 65 15.149 4.839 3.420 1.00 0.00 H new ATOM 0 HA GLN A 65 13.297 6.808 3.178 1.00 0.00 H new ATOM 0 HB2 GLN A 65 15.626 6.262 1.987 1.00 0.00 H new ATOM 0 HB3 GLN A 65 14.584 5.724 0.685 1.00 0.00 H new ATOM 0 HG2 GLN A 65 13.798 7.851 0.231 1.00 0.00 H new ATOM 0 HG3 GLN A 65 14.004 8.406 1.880 1.00 0.00 H new ATOM 0 HE21 GLN A 65 14.899 9.448 -0.842 1.00 0.00 H new ATOM 0 HE22 GLN A 65 16.630 9.743 -0.644 1.00 0.00 H new ATOM 997 N ASN A 66 12.482 4.279 1.201 1.00 0.00 N ATOM 998 CA ASN A 66 11.373 3.675 0.473 1.00 0.00 C ATOM 999 C ASN A 66 10.071 3.808 1.256 1.00 0.00 C ATOM 1000 O ASN A 66 9.045 4.220 0.713 1.00 0.00 O ATOM 1001 CB ASN A 66 11.663 2.200 0.191 1.00 0.00 C ATOM 1002 CG ASN A 66 12.779 2.012 -0.819 1.00 0.00 C ATOM 1003 OD1 ASN A 66 12.885 2.762 -1.790 1.00 0.00 O ATOM 1004 ND2 ASN A 66 13.618 1.008 -0.593 1.00 0.00 N ATOM 0 H ASN A 66 13.352 3.748 1.161 1.00 0.00 H new ATOM 0 HA ASN A 66 11.262 4.204 -0.474 1.00 0.00 H new ATOM 0 HB2 ASN A 66 11.932 1.701 1.122 1.00 0.00 H new ATOM 0 HB3 ASN A 66 10.757 1.719 -0.179 1.00 0.00 H new ATOM 0 HD21 ASN A 66 14.389 0.833 -1.237 1.00 0.00 H new ATOM 0 HD22 ASN A 66 13.491 0.412 0.225 1.00 0.00 H new ATOM 1011 N PHE A 67 10.119 3.457 2.537 1.00 0.00 N ATOM 1012 CA PHE A 67 8.944 3.537 3.397 1.00 0.00 C ATOM 1013 C PHE A 67 8.547 4.990 3.642 1.00 0.00 C ATOM 1014 O PHE A 67 7.422 5.394 3.349 1.00 0.00 O ATOM 1015 CB PHE A 67 9.213 2.838 4.731 1.00 0.00 C ATOM 1016 CG PHE A 67 8.946 1.360 4.698 1.00 0.00 C ATOM 1017 CD1 PHE A 67 9.774 0.509 3.984 1.00 0.00 C ATOM 1018 CD2 PHE A 67 7.867 0.822 5.381 1.00 0.00 C ATOM 1019 CE1 PHE A 67 9.530 -0.851 3.951 1.00 0.00 C ATOM 1020 CE2 PHE A 67 7.618 -0.537 5.352 1.00 0.00 C ATOM 1021 CZ PHE A 67 8.451 -1.375 4.637 1.00 0.00 C ATOM 0 H PHE A 67 10.959 3.114 3.002 1.00 0.00 H new ATOM 0 HA PHE A 67 8.120 3.034 2.891 1.00 0.00 H new ATOM 0 HB2 PHE A 67 10.252 3.005 5.017 1.00 0.00 H new ATOM 0 HB3 PHE A 67 8.593 3.294 5.503 1.00 0.00 H new ATOM 0 HD1 PHE A 67 10.620 0.913 3.447 1.00 0.00 H new ATOM 0 HD2 PHE A 67 7.213 1.472 5.943 1.00 0.00 H new ATOM 0 HE1 PHE A 67 10.182 -1.504 3.390 1.00 0.00 H new ATOM 0 HE2 PHE A 67 6.773 -0.943 5.888 1.00 0.00 H new ATOM 0 HZ PHE A 67 8.259 -2.438 4.614 1.00 0.00 H new ATOM 1031 N GLU A 68 9.479 5.769 4.182 1.00 0.00 N ATOM 1032 CA GLU A 68 9.226 7.176 4.469 1.00 0.00 C ATOM 1033 C GLU A 68 8.603 7.873 3.262 1.00 0.00 C ATOM 1034 O GLU A 68 7.458 8.321 3.313 1.00 0.00 O ATOM 1035 CB GLU A 68 10.525 7.880 4.864 1.00 0.00 C ATOM 1036 CG GLU A 68 11.314 7.146 5.935 1.00 0.00 C ATOM 1037 CD GLU A 68 12.212 8.070 6.735 1.00 0.00 C ATOM 1038 OE1 GLU A 68 11.936 9.287 6.763 1.00 0.00 O ATOM 1039 OE2 GLU A 68 13.191 7.576 7.331 1.00 0.00 O ATOM 0 H GLU A 68 10.416 5.450 4.429 1.00 0.00 H new ATOM 0 HA GLU A 68 8.524 7.231 5.301 1.00 0.00 H new ATOM 0 HB2 GLU A 68 11.150 7.994 3.978 1.00 0.00 H new ATOM 0 HB3 GLU A 68 10.291 8.883 5.221 1.00 0.00 H new ATOM 0 HG2 GLU A 68 10.622 6.644 6.611 1.00 0.00 H new ATOM 0 HG3 GLU A 68 11.921 6.371 5.467 1.00 0.00 H new ATOM 1046 N VAL A 69 9.367 7.961 2.178 1.00 0.00 N ATOM 1047 CA VAL A 69 8.891 8.602 0.958 1.00 0.00 C ATOM 1048 C VAL A 69 7.496 8.111 0.587 1.00 0.00 C ATOM 1049 O VAL A 69 6.650 8.890 0.148 1.00 0.00 O ATOM 1050 CB VAL A 69 9.846 8.342 -0.222 1.00 0.00 C ATOM 1051 CG1 VAL A 69 9.315 8.989 -1.492 1.00 0.00 C ATOM 1052 CG2 VAL A 69 11.243 8.850 0.101 1.00 0.00 C ATOM 0 H VAL A 69 10.318 7.597 2.120 1.00 0.00 H new ATOM 0 HA VAL A 69 8.855 9.673 1.157 1.00 0.00 H new ATOM 0 HB VAL A 69 9.905 7.266 -0.388 1.00 0.00 H new ATOM 0 HG11 VAL A 69 10.003 8.794 -2.315 1.00 0.00 H new ATOM 0 HG12 VAL A 69 8.337 8.572 -1.731 1.00 0.00 H new ATOM 0 HG13 VAL A 69 9.224 10.065 -1.342 1.00 0.00 H new ATOM 0 HG21 VAL A 69 11.904 8.658 -0.744 1.00 0.00 H new ATOM 0 HG22 VAL A 69 11.204 9.922 0.295 1.00 0.00 H new ATOM 0 HG23 VAL A 69 11.623 8.335 0.983 1.00 0.00 H new ATOM 1062 N ALA A 70 7.264 6.815 0.766 1.00 0.00 N ATOM 1063 CA ALA A 70 5.971 6.220 0.452 1.00 0.00 C ATOM 1064 C ALA A 70 4.872 6.796 1.339 1.00 0.00 C ATOM 1065 O ALA A 70 3.724 6.932 0.914 1.00 0.00 O ATOM 1066 CB ALA A 70 6.035 4.708 0.603 1.00 0.00 C ATOM 0 H ALA A 70 7.955 6.157 1.127 1.00 0.00 H new ATOM 0 HA ALA A 70 5.730 6.461 -0.583 1.00 0.00 H new ATOM 0 HB1 ALA A 70 5.062 4.277 0.365 1.00 0.00 H new ATOM 0 HB2 ALA A 70 6.786 4.306 -0.077 1.00 0.00 H new ATOM 0 HB3 ALA A 70 6.303 4.456 1.629 1.00 0.00 H new ATOM 1072 N PHE A 71 5.230 7.133 2.574 1.00 0.00 N ATOM 1073 CA PHE A 71 4.274 7.693 3.521 1.00 0.00 C ATOM 1074 C PHE A 71 4.069 9.184 3.270 1.00 0.00 C ATOM 1075 O PHE A 71 2.940 9.675 3.268 1.00 0.00 O ATOM 1076 CB PHE A 71 4.754 7.467 4.956 1.00 0.00 C ATOM 1077 CG PHE A 71 4.623 6.043 5.415 1.00 0.00 C ATOM 1078 CD1 PHE A 71 3.393 5.405 5.396 1.00 0.00 C ATOM 1079 CD2 PHE A 71 5.730 5.342 5.865 1.00 0.00 C ATOM 1080 CE1 PHE A 71 3.269 4.094 5.817 1.00 0.00 C ATOM 1081 CE2 PHE A 71 5.612 4.031 6.287 1.00 0.00 C ATOM 1082 CZ PHE A 71 4.380 3.407 6.264 1.00 0.00 C ATOM 0 H PHE A 71 6.176 7.028 2.942 1.00 0.00 H new ATOM 0 HA PHE A 71 3.320 7.185 3.380 1.00 0.00 H new ATOM 0 HB2 PHE A 71 5.798 7.771 5.033 1.00 0.00 H new ATOM 0 HB3 PHE A 71 4.184 8.110 5.627 1.00 0.00 H new ATOM 0 HD1 PHE A 71 2.521 5.938 5.048 1.00 0.00 H new ATOM 0 HD2 PHE A 71 6.696 5.825 5.886 1.00 0.00 H new ATOM 0 HE1 PHE A 71 2.305 3.608 5.796 1.00 0.00 H new ATOM 0 HE2 PHE A 71 6.483 3.495 6.635 1.00 0.00 H new ATOM 0 HZ PHE A 71 4.286 2.383 6.595 1.00 0.00 H new ATOM 1092 N SER A 72 5.169 9.899 3.060 1.00 0.00 N ATOM 1093 CA SER A 72 5.112 11.335 2.813 1.00 0.00 C ATOM 1094 C SER A 72 4.409 11.631 1.491 1.00 0.00 C ATOM 1095 O SER A 72 3.496 12.455 1.432 1.00 0.00 O ATOM 1096 CB SER A 72 6.522 11.928 2.797 1.00 0.00 C ATOM 1097 OG SER A 72 7.326 11.306 1.810 1.00 0.00 O ATOM 0 H SER A 72 6.111 9.508 3.056 1.00 0.00 H new ATOM 0 HA SER A 72 4.541 11.795 3.620 1.00 0.00 H new ATOM 0 HB2 SER A 72 6.467 12.999 2.604 1.00 0.00 H new ATOM 0 HB3 SER A 72 6.983 11.804 3.777 1.00 0.00 H new ATOM 0 HG SER A 72 8.222 11.704 1.819 1.00 0.00 H new ATOM 1103 N SER A 73 4.842 10.953 0.433 1.00 0.00 N ATOM 1104 CA SER A 73 4.258 11.145 -0.889 1.00 0.00 C ATOM 1105 C SER A 73 2.736 11.058 -0.828 1.00 0.00 C ATOM 1106 O SER A 73 2.036 11.637 -1.659 1.00 0.00 O ATOM 1107 CB SER A 73 4.801 10.101 -1.866 1.00 0.00 C ATOM 1108 OG SER A 73 4.648 8.791 -1.350 1.00 0.00 O ATOM 0 H SER A 73 5.595 10.266 0.466 1.00 0.00 H new ATOM 0 HA SER A 73 4.534 12.139 -1.240 1.00 0.00 H new ATOM 0 HB2 SER A 73 4.278 10.183 -2.819 1.00 0.00 H new ATOM 0 HB3 SER A 73 5.855 10.297 -2.063 1.00 0.00 H new ATOM 0 HG SER A 73 5.178 8.698 -0.531 1.00 0.00 H new ATOM 1114 N ALA A 74 2.230 10.331 0.162 1.00 0.00 N ATOM 1115 CA ALA A 74 0.792 10.169 0.334 1.00 0.00 C ATOM 1116 C ALA A 74 0.198 11.334 1.119 1.00 0.00 C ATOM 1117 O ALA A 74 -0.772 11.954 0.686 1.00 0.00 O ATOM 1118 CB ALA A 74 0.489 8.851 1.032 1.00 0.00 C ATOM 0 H ALA A 74 2.795 9.844 0.858 1.00 0.00 H new ATOM 0 HA ALA A 74 0.332 10.159 -0.654 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -0.589 8.743 1.154 1.00 0.00 H new ATOM 0 HB2 ALA A 74 0.871 8.025 0.432 1.00 0.00 H new ATOM 0 HB3 ALA A 74 0.968 8.839 2.011 1.00 0.00 H new ATOM 1124 N GLU A 75 0.786 11.624 2.275 1.00 0.00 N ATOM 1125 CA GLU A 75 0.313 12.714 3.120 1.00 0.00 C ATOM 1126 C GLU A 75 0.347 14.040 2.367 1.00 0.00 C ATOM 1127 O GLU A 75 -0.291 15.013 2.769 1.00 0.00 O ATOM 1128 CB GLU A 75 1.164 12.812 4.388 1.00 0.00 C ATOM 1129 CG GLU A 75 0.713 13.907 5.340 1.00 0.00 C ATOM 1130 CD GLU A 75 1.670 14.102 6.500 1.00 0.00 C ATOM 1131 OE1 GLU A 75 2.329 13.118 6.897 1.00 0.00 O ATOM 1132 OE2 GLU A 75 1.761 15.238 7.010 1.00 0.00 O ATOM 0 H GLU A 75 1.590 11.120 2.648 1.00 0.00 H new ATOM 0 HA GLU A 75 -0.719 12.502 3.400 1.00 0.00 H new ATOM 0 HB2 GLU A 75 1.136 11.855 4.909 1.00 0.00 H new ATOM 0 HB3 GLU A 75 2.202 12.992 4.106 1.00 0.00 H new ATOM 0 HG2 GLU A 75 0.618 14.844 4.791 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -0.276 13.662 5.727 1.00 0.00 H new ATOM 1139 N THR A 76 1.099 14.072 1.270 1.00 0.00 N ATOM 1140 CA THR A 76 1.219 15.279 0.461 1.00 0.00 C ATOM 1141 C THR A 76 -0.152 15.805 0.052 1.00 0.00 C ATOM 1142 O THR A 76 -0.574 16.875 0.493 1.00 0.00 O ATOM 1143 CB THR A 76 2.058 15.024 -0.805 1.00 0.00 C ATOM 1144 OG1 THR A 76 3.228 14.269 -0.474 1.00 0.00 O ATOM 1145 CG2 THR A 76 2.463 16.337 -1.459 1.00 0.00 C ATOM 0 H THR A 76 1.634 13.276 0.922 1.00 0.00 H new ATOM 0 HA THR A 76 1.722 16.025 1.077 1.00 0.00 H new ATOM 0 HB THR A 76 1.449 14.458 -1.510 1.00 0.00 H new ATOM 0 HG1 THR A 76 3.169 13.965 0.456 1.00 0.00 H new ATOM 0 HG21 THR A 76 3.055 16.132 -2.351 1.00 0.00 H new ATOM 0 HG22 THR A 76 1.569 16.896 -1.737 1.00 0.00 H new ATOM 0 HG23 THR A 76 3.055 16.925 -0.758 1.00 0.00 H new ATOM 1153 N HIS A 77 -0.843 15.047 -0.793 1.00 0.00 N ATOM 1154 CA HIS A 77 -2.169 15.438 -1.261 1.00 0.00 C ATOM 1155 C HIS A 77 -3.228 14.452 -0.777 1.00 0.00 C ATOM 1156 O HIS A 77 -4.426 14.713 -0.882 1.00 0.00 O ATOM 1157 CB HIS A 77 -2.190 15.518 -2.788 1.00 0.00 C ATOM 1158 CG HIS A 77 -1.248 14.562 -3.452 1.00 0.00 C ATOM 1159 ND1 HIS A 77 -0.362 14.940 -4.438 1.00 0.00 N ATOM 1160 CD2 HIS A 77 -1.056 13.235 -3.264 1.00 0.00 C ATOM 1161 CE1 HIS A 77 0.333 13.888 -4.830 1.00 0.00 C ATOM 1162 NE2 HIS A 77 -0.068 12.840 -4.133 1.00 0.00 N ATOM 0 H HIS A 77 -0.508 14.159 -1.168 1.00 0.00 H new ATOM 0 HA HIS A 77 -2.398 16.421 -0.850 1.00 0.00 H new ATOM 0 HB2 HIS A 77 -3.203 15.320 -3.140 1.00 0.00 H new ATOM 0 HB3 HIS A 77 -1.939 16.534 -3.094 1.00 0.00 H new ATOM 0 HD2 HIS A 77 -1.581 12.605 -2.562 1.00 0.00 H new ATOM 0 HE1 HIS A 77 1.099 13.885 -5.591 1.00 0.00 H new ATOM 0 HE2 HIS A 77 0.297 11.892 -4.225 1.00 0.00 H new ATOM 1171 N ALA A 78 -2.777 13.320 -0.247 1.00 0.00 N ATOM 1172 CA ALA A 78 -3.686 12.296 0.254 1.00 0.00 C ATOM 1173 C ALA A 78 -3.887 12.430 1.760 1.00 0.00 C ATOM 1174 O ALA A 78 -4.743 11.765 2.343 1.00 0.00 O ATOM 1175 CB ALA A 78 -3.162 10.910 -0.089 1.00 0.00 C ATOM 0 H ALA A 78 -1.788 13.089 -0.153 1.00 0.00 H new ATOM 0 HA ALA A 78 -4.653 12.436 -0.230 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -3.851 10.156 0.291 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -3.077 10.811 -1.171 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -2.182 10.769 0.367 1.00 0.00 H new ATOM 1181 N ASP A 79 -3.091 13.292 2.384 1.00 0.00 N ATOM 1182 CA ASP A 79 -3.182 13.513 3.822 1.00 0.00 C ATOM 1183 C ASP A 79 -3.520 12.216 4.551 1.00 0.00 C ATOM 1184 O ASP A 79 -4.386 12.192 5.426 1.00 0.00 O ATOM 1185 CB ASP A 79 -4.237 14.576 4.131 1.00 0.00 C ATOM 1186 CG ASP A 79 -3.920 15.357 5.392 1.00 0.00 C ATOM 1187 OD1 ASP A 79 -2.727 15.636 5.633 1.00 0.00 O ATOM 1188 OD2 ASP A 79 -4.865 15.689 6.137 1.00 0.00 O ATOM 0 H ASP A 79 -2.376 13.849 1.916 1.00 0.00 H new ATOM 0 HA ASP A 79 -2.211 13.864 4.173 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -4.312 15.265 3.290 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -5.210 14.097 4.239 1.00 0.00 H new ATOM 1193 N CYS A 80 -2.833 11.140 4.183 1.00 0.00 N ATOM 1194 CA CYS A 80 -3.062 9.839 4.801 1.00 0.00 C ATOM 1195 C CYS A 80 -2.360 9.747 6.151 1.00 0.00 C ATOM 1196 O CYS A 80 -1.224 10.191 6.320 1.00 0.00 O ATOM 1197 CB CYS A 80 -2.572 8.721 3.880 1.00 0.00 C ATOM 1198 SG CYS A 80 -2.545 7.086 4.652 1.00 0.00 S ATOM 0 H CYS A 80 -2.113 11.143 3.460 1.00 0.00 H new ATOM 0 HA CYS A 80 -4.134 9.724 4.962 1.00 0.00 H new ATOM 0 HB2 CYS A 80 -3.212 8.684 2.999 1.00 0.00 H new ATOM 0 HB3 CYS A 80 -1.567 8.964 3.534 1.00 0.00 H new ATOM 0 HG CYS A 80 -1.427 6.488 4.363 1.00 0.00 H new ATOM 1204 N PRO A 81 -3.050 9.157 7.139 1.00 0.00 N ATOM 1205 CA PRO A 81 -2.513 8.993 8.493 1.00 0.00 C ATOM 1206 C PRO A 81 -1.377 7.977 8.547 1.00 0.00 C ATOM 1207 O PRO A 81 -1.491 6.877 8.006 1.00 0.00 O ATOM 1208 CB PRO A 81 -3.717 8.493 9.294 1.00 0.00 C ATOM 1209 CG PRO A 81 -4.595 7.834 8.287 1.00 0.00 C ATOM 1210 CD PRO A 81 -4.409 8.604 7.009 1.00 0.00 C ATOM 0 HA PRO A 81 -2.084 9.919 8.876 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -3.412 7.793 10.072 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -4.232 9.316 9.790 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -4.321 6.787 8.155 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -5.637 7.853 8.606 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -4.499 7.959 6.135 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -5.155 9.392 6.902 1.00 0.00 H new ATOM 1218 N GLN A 82 -0.284 8.352 9.203 1.00 0.00 N ATOM 1219 CA GLN A 82 0.872 7.472 9.327 1.00 0.00 C ATOM 1220 C GLN A 82 0.706 6.519 10.506 1.00 0.00 C ATOM 1221 O GLN A 82 1.247 6.753 11.588 1.00 0.00 O ATOM 1222 CB GLN A 82 2.150 8.294 9.497 1.00 0.00 C ATOM 1223 CG GLN A 82 2.530 9.090 8.258 1.00 0.00 C ATOM 1224 CD GLN A 82 3.865 9.794 8.404 1.00 0.00 C ATOM 1225 OE1 GLN A 82 4.513 9.710 9.447 1.00 0.00 O ATOM 1226 NE2 GLN A 82 4.283 10.492 7.355 1.00 0.00 N ATOM 0 H GLN A 82 -0.175 9.259 9.657 1.00 0.00 H new ATOM 0 HA GLN A 82 0.947 6.882 8.414 1.00 0.00 H new ATOM 0 HB2 GLN A 82 2.022 8.980 10.335 1.00 0.00 H new ATOM 0 HB3 GLN A 82 2.971 7.625 9.755 1.00 0.00 H new ATOM 0 HG2 GLN A 82 2.568 8.421 7.398 1.00 0.00 H new ATOM 0 HG3 GLN A 82 1.755 9.828 8.053 1.00 0.00 H new ATOM 0 HE21 GLN A 82 3.713 10.534 6.510 1.00 0.00 H new ATOM 0 HE22 GLN A 82 5.174 10.986 7.394 1.00 0.00 H new ATOM 1235 N LEU A 83 -0.045 5.444 10.291 1.00 0.00 N ATOM 1236 CA LEU A 83 -0.282 4.455 11.337 1.00 0.00 C ATOM 1237 C LEU A 83 0.993 3.680 11.653 1.00 0.00 C ATOM 1238 O LEU A 83 1.503 3.733 12.773 1.00 0.00 O ATOM 1239 CB LEU A 83 -1.388 3.488 10.909 1.00 0.00 C ATOM 1240 CG LEU A 83 -2.671 4.128 10.379 1.00 0.00 C ATOM 1241 CD1 LEU A 83 -3.561 3.080 9.729 1.00 0.00 C ATOM 1242 CD2 LEU A 83 -3.415 4.839 11.500 1.00 0.00 C ATOM 0 H LEU A 83 -0.500 5.235 9.402 1.00 0.00 H new ATOM 0 HA LEU A 83 -0.596 4.982 12.238 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -0.989 2.829 10.138 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -1.645 2.860 11.762 1.00 0.00 H new ATOM 0 HG LEU A 83 -2.401 4.866 9.624 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -4.470 3.554 9.358 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -3.029 2.615 8.899 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -3.823 2.319 10.464 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -4.326 5.289 11.104 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -3.673 4.121 12.278 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -2.780 5.618 11.922 1.00 0.00 H new ATOM 1254 N LEU A 84 1.504 2.963 10.659 1.00 0.00 N ATOM 1255 CA LEU A 84 2.722 2.178 10.829 1.00 0.00 C ATOM 1256 C LEU A 84 3.886 3.065 11.260 1.00 0.00 C ATOM 1257 O LEU A 84 4.023 4.197 10.793 1.00 0.00 O ATOM 1258 CB LEU A 84 3.072 1.453 9.529 1.00 0.00 C ATOM 1259 CG LEU A 84 1.944 0.646 8.886 1.00 0.00 C ATOM 1260 CD1 LEU A 84 2.258 0.360 7.425 1.00 0.00 C ATOM 1261 CD2 LEU A 84 1.716 -0.652 9.648 1.00 0.00 C ATOM 0 H LEU A 84 1.094 2.909 9.727 1.00 0.00 H new ATOM 0 HA LEU A 84 2.542 1.440 11.611 1.00 0.00 H new ATOM 0 HB2 LEU A 84 3.420 2.192 8.807 1.00 0.00 H new ATOM 0 HB3 LEU A 84 3.907 0.780 9.725 1.00 0.00 H new ATOM 0 HG LEU A 84 1.029 1.237 8.931 1.00 0.00 H new ATOM 0 HD11 LEU A 84 1.444 -0.215 6.984 1.00 0.00 H new ATOM 0 HD12 LEU A 84 2.371 1.301 6.886 1.00 0.00 H new ATOM 0 HD13 LEU A 84 3.184 -0.211 7.357 1.00 0.00 H new ATOM 0 HD21 LEU A 84 0.910 -1.214 9.177 1.00 0.00 H new ATOM 0 HD22 LEU A 84 2.629 -1.247 9.634 1.00 0.00 H new ATOM 0 HD23 LEU A 84 1.446 -0.426 10.679 1.00 0.00 H new ATOM 1273 N ASP A 85 4.723 2.544 12.150 1.00 0.00 N ATOM 1274 CA ASP A 85 5.878 3.288 12.640 1.00 0.00 C ATOM 1275 C ASP A 85 7.149 2.859 11.914 1.00 0.00 C ATOM 1276 O ASP A 85 7.844 1.939 12.346 1.00 0.00 O ATOM 1277 CB ASP A 85 6.042 3.081 14.147 1.00 0.00 C ATOM 1278 CG ASP A 85 4.808 3.492 14.926 1.00 0.00 C ATOM 1279 OD1 ASP A 85 3.816 2.733 14.908 1.00 0.00 O ATOM 1280 OD2 ASP A 85 4.833 4.572 15.552 1.00 0.00 O ATOM 0 H ASP A 85 4.624 1.610 12.547 1.00 0.00 H new ATOM 0 HA ASP A 85 5.708 4.346 12.442 1.00 0.00 H new ATOM 0 HB2 ASP A 85 6.260 2.032 14.345 1.00 0.00 H new ATOM 0 HB3 ASP A 85 6.898 3.656 14.499 1.00 0.00 H new ATOM 1285 N THR A 86 7.447 3.532 10.807 1.00 0.00 N ATOM 1286 CA THR A 86 8.633 3.219 10.019 1.00 0.00 C ATOM 1287 C THR A 86 9.784 2.770 10.912 1.00 0.00 C ATOM 1288 O THR A 86 10.292 1.658 10.771 1.00 0.00 O ATOM 1289 CB THR A 86 9.089 4.432 9.185 1.00 0.00 C ATOM 1290 OG1 THR A 86 8.039 4.841 8.302 1.00 0.00 O ATOM 1291 CG2 THR A 86 10.335 4.096 8.379 1.00 0.00 C ATOM 0 H THR A 86 6.884 4.297 10.436 1.00 0.00 H new ATOM 0 HA THR A 86 8.360 2.406 9.346 1.00 0.00 H new ATOM 0 HB THR A 86 9.327 5.247 9.868 1.00 0.00 H new ATOM 0 HG1 THR A 86 8.336 5.613 7.776 1.00 0.00 H new ATOM 0 HG21 THR A 86 10.638 4.967 7.798 1.00 0.00 H new ATOM 0 HG22 THR A 86 11.141 3.813 9.056 1.00 0.00 H new ATOM 0 HG23 THR A 86 10.120 3.267 7.705 1.00 0.00 H new ATOM 1299 N GLU A 87 10.189 3.641 11.831 1.00 0.00 N ATOM 1300 CA GLU A 87 11.281 3.332 12.747 1.00 0.00 C ATOM 1301 C GLU A 87 11.201 1.882 13.218 1.00 0.00 C ATOM 1302 O GLU A 87 12.196 1.157 13.198 1.00 0.00 O ATOM 1303 CB GLU A 87 11.247 4.274 13.952 1.00 0.00 C ATOM 1304 CG GLU A 87 9.994 4.134 14.800 1.00 0.00 C ATOM 1305 CD GLU A 87 9.739 5.350 15.669 1.00 0.00 C ATOM 1306 OE1 GLU A 87 10.667 5.765 16.394 1.00 0.00 O ATOM 1307 OE2 GLU A 87 8.612 5.885 15.626 1.00 0.00 O ATOM 0 H GLU A 87 9.778 4.565 11.961 1.00 0.00 H new ATOM 0 HA GLU A 87 12.221 3.471 12.213 1.00 0.00 H new ATOM 0 HB2 GLU A 87 12.120 4.084 14.576 1.00 0.00 H new ATOM 0 HB3 GLU A 87 11.324 5.303 13.600 1.00 0.00 H new ATOM 0 HG2 GLU A 87 9.135 3.971 14.149 1.00 0.00 H new ATOM 0 HG3 GLU A 87 10.085 3.252 15.434 1.00 0.00 H new ATOM 1314 N ASP A 88 10.013 1.469 13.643 1.00 0.00 N ATOM 1315 CA ASP A 88 9.802 0.106 14.119 1.00 0.00 C ATOM 1316 C ASP A 88 9.736 -0.873 12.951 1.00 0.00 C ATOM 1317 O ASP A 88 10.048 -2.054 13.101 1.00 0.00 O ATOM 1318 CB ASP A 88 8.516 0.024 14.943 1.00 0.00 C ATOM 1319 CG ASP A 88 8.582 0.864 16.203 1.00 0.00 C ATOM 1320 OD1 ASP A 88 9.038 0.342 17.242 1.00 0.00 O ATOM 1321 OD2 ASP A 88 8.177 2.045 16.150 1.00 0.00 O ATOM 0 H ASP A 88 9.181 2.058 13.668 1.00 0.00 H new ATOM 0 HA ASP A 88 10.647 -0.167 14.751 1.00 0.00 H new ATOM 0 HB2 ASP A 88 7.675 0.354 14.333 1.00 0.00 H new ATOM 0 HB3 ASP A 88 8.326 -1.015 15.212 1.00 0.00 H new ATOM 1326 N MET A 89 9.327 -0.375 11.789 1.00 0.00 N ATOM 1327 CA MET A 89 9.221 -1.206 10.596 1.00 0.00 C ATOM 1328 C MET A 89 10.599 -1.653 10.120 1.00 0.00 C ATOM 1329 O MET A 89 10.821 -2.834 9.850 1.00 0.00 O ATOM 1330 CB MET A 89 8.505 -0.444 9.479 1.00 0.00 C ATOM 1331 CG MET A 89 7.063 -0.095 9.810 1.00 0.00 C ATOM 1332 SD MET A 89 6.159 0.545 8.386 1.00 0.00 S ATOM 1333 CE MET A 89 5.336 -0.939 7.813 1.00 0.00 C ATOM 0 H MET A 89 9.063 0.600 11.648 1.00 0.00 H new ATOM 0 HA MET A 89 8.640 -2.092 10.852 1.00 0.00 H new ATOM 0 HB2 MET A 89 9.053 0.474 9.267 1.00 0.00 H new ATOM 0 HB3 MET A 89 8.525 -1.044 8.570 1.00 0.00 H new ATOM 0 HG2 MET A 89 6.556 -0.983 10.188 1.00 0.00 H new ATOM 0 HG3 MET A 89 7.047 0.646 10.609 1.00 0.00 H new ATOM 0 HE1 MET A 89 4.822 -0.731 6.875 1.00 0.00 H new ATOM 0 HE2 MET A 89 6.073 -1.726 7.656 1.00 0.00 H new ATOM 0 HE3 MET A 89 4.611 -1.264 8.559 1.00 0.00 H new ATOM 1343 N VAL A 90 11.522 -0.702 10.018 1.00 0.00 N ATOM 1344 CA VAL A 90 12.879 -0.998 9.575 1.00 0.00 C ATOM 1345 C VAL A 90 13.473 -2.162 10.362 1.00 0.00 C ATOM 1346 O VAL A 90 13.712 -3.237 9.813 1.00 0.00 O ATOM 1347 CB VAL A 90 13.799 0.229 9.723 1.00 0.00 C ATOM 1348 CG1 VAL A 90 15.260 -0.191 9.686 1.00 0.00 C ATOM 1349 CG2 VAL A 90 13.501 1.251 8.636 1.00 0.00 C ATOM 0 H VAL A 90 11.355 0.280 10.236 1.00 0.00 H new ATOM 0 HA VAL A 90 12.815 -1.270 8.521 1.00 0.00 H new ATOM 0 HB VAL A 90 13.605 0.693 10.690 1.00 0.00 H new ATOM 0 HG11 VAL A 90 15.894 0.689 9.792 1.00 0.00 H new ATOM 0 HG12 VAL A 90 15.460 -0.883 10.504 1.00 0.00 H new ATOM 0 HG13 VAL A 90 15.474 -0.680 8.736 1.00 0.00 H new ATOM 0 HG21 VAL A 90 14.160 2.111 8.755 1.00 0.00 H new ATOM 0 HG22 VAL A 90 13.666 0.800 7.657 1.00 0.00 H new ATOM 0 HG23 VAL A 90 12.463 1.575 8.716 1.00 0.00 H new ATOM 1359 N ARG A 91 13.707 -1.939 11.651 1.00 0.00 N ATOM 1360 CA ARG A 91 14.273 -2.969 12.513 1.00 0.00 C ATOM 1361 C ARG A 91 13.465 -4.260 12.421 1.00 0.00 C ATOM 1362 O ARG A 91 14.027 -5.355 12.366 1.00 0.00 O ATOM 1363 CB ARG A 91 14.315 -2.483 13.963 1.00 0.00 C ATOM 1364 CG ARG A 91 13.000 -1.892 14.446 1.00 0.00 C ATOM 1365 CD ARG A 91 13.031 -1.609 15.939 1.00 0.00 C ATOM 1366 NE ARG A 91 13.287 -2.817 16.720 1.00 0.00 N ATOM 1367 CZ ARG A 91 13.277 -2.850 18.048 1.00 0.00 C ATOM 1368 NH1 ARG A 91 13.025 -1.747 18.739 1.00 0.00 N ATOM 1369 NH2 ARG A 91 13.519 -3.987 18.686 1.00 0.00 N ATOM 0 H ARG A 91 13.513 -1.055 12.121 1.00 0.00 H new ATOM 0 HA ARG A 91 15.289 -3.172 12.175 1.00 0.00 H new ATOM 0 HB2 ARG A 91 14.588 -3.317 14.609 1.00 0.00 H new ATOM 0 HB3 ARG A 91 15.099 -1.733 14.063 1.00 0.00 H new ATOM 0 HG2 ARG A 91 12.794 -0.969 13.904 1.00 0.00 H new ATOM 0 HG3 ARG A 91 12.186 -2.582 14.222 1.00 0.00 H new ATOM 0 HD2 ARG A 91 13.803 -0.869 16.152 1.00 0.00 H new ATOM 0 HD3 ARG A 91 12.080 -1.174 16.245 1.00 0.00 H new ATOM 0 HE ARG A 91 13.484 -3.683 16.218 1.00 0.00 H new ATOM 0 HH11 ARG A 91 12.838 -0.871 18.251 1.00 0.00 H new ATOM 0 HH12 ARG A 91 13.018 -1.774 19.759 1.00 0.00 H new ATOM 0 HH21 ARG A 91 13.713 -4.837 18.157 1.00 0.00 H new ATOM 0 HH22 ARG A 91 13.511 -4.011 19.706 1.00 0.00 H new ATOM 1383 N LEU A 92 12.144 -4.125 12.405 1.00 0.00 N ATOM 1384 CA LEU A 92 11.257 -5.280 12.320 1.00 0.00 C ATOM 1385 C LEU A 92 11.553 -6.103 11.070 1.00 0.00 C ATOM 1386 O LEU A 92 11.528 -5.584 9.953 1.00 0.00 O ATOM 1387 CB LEU A 92 9.796 -4.828 12.313 1.00 0.00 C ATOM 1388 CG LEU A 92 9.157 -4.601 13.683 1.00 0.00 C ATOM 1389 CD1 LEU A 92 7.830 -3.871 13.539 1.00 0.00 C ATOM 1390 CD2 LEU A 92 8.963 -5.925 14.407 1.00 0.00 C ATOM 0 H LEU A 92 11.663 -3.227 12.450 1.00 0.00 H new ATOM 0 HA LEU A 92 11.432 -5.906 13.195 1.00 0.00 H new ATOM 0 HB2 LEU A 92 9.726 -3.901 11.744 1.00 0.00 H new ATOM 0 HB3 LEU A 92 9.208 -5.575 11.779 1.00 0.00 H new ATOM 0 HG LEU A 92 9.828 -3.980 14.277 1.00 0.00 H new ATOM 0 HD11 LEU A 92 7.390 -3.718 14.524 1.00 0.00 H new ATOM 0 HD12 LEU A 92 7.996 -2.905 13.062 1.00 0.00 H new ATOM 0 HD13 LEU A 92 7.152 -4.466 12.927 1.00 0.00 H new ATOM 0 HD21 LEU A 92 8.507 -5.744 15.380 1.00 0.00 H new ATOM 0 HD22 LEU A 92 8.313 -6.571 13.816 1.00 0.00 H new ATOM 0 HD23 LEU A 92 9.930 -6.410 14.544 1.00 0.00 H new ATOM 1402 N ARG A 93 11.830 -7.388 11.264 1.00 0.00 N ATOM 1403 CA ARG A 93 12.130 -8.282 10.153 1.00 0.00 C ATOM 1404 C ARG A 93 11.082 -8.149 9.051 1.00 0.00 C ATOM 1405 O ARG A 93 11.400 -8.245 7.866 1.00 0.00 O ATOM 1406 CB ARG A 93 12.192 -9.731 10.639 1.00 0.00 C ATOM 1407 CG ARG A 93 13.014 -10.640 9.739 1.00 0.00 C ATOM 1408 CD ARG A 93 14.505 -10.407 9.925 1.00 0.00 C ATOM 1409 NE ARG A 93 14.951 -10.759 11.271 1.00 0.00 N ATOM 1410 CZ ARG A 93 14.970 -9.902 12.286 1.00 0.00 C ATOM 1411 NH1 ARG A 93 14.571 -8.650 12.108 1.00 0.00 N ATOM 1412 NH2 ARG A 93 15.389 -10.297 13.481 1.00 0.00 N ATOM 0 H ARG A 93 11.853 -7.833 12.181 1.00 0.00 H new ATOM 0 HA ARG A 93 13.101 -8.001 9.745 1.00 0.00 H new ATOM 0 HB2 ARG A 93 12.614 -9.751 11.644 1.00 0.00 H new ATOM 0 HB3 ARG A 93 11.178 -10.125 10.711 1.00 0.00 H new ATOM 0 HG2 ARG A 93 12.777 -11.681 9.958 1.00 0.00 H new ATOM 0 HG3 ARG A 93 12.744 -10.464 8.698 1.00 0.00 H new ATOM 0 HD2 ARG A 93 15.058 -10.997 9.194 1.00 0.00 H new ATOM 0 HD3 ARG A 93 14.735 -9.360 9.729 1.00 0.00 H new ATOM 0 HE ARG A 93 15.265 -11.715 11.441 1.00 0.00 H new ATOM 0 HH11 ARG A 93 14.249 -8.343 11.190 1.00 0.00 H new ATOM 0 HH12 ARG A 93 14.586 -7.994 12.889 1.00 0.00 H new ATOM 0 HH21 ARG A 93 15.697 -11.259 13.621 1.00 0.00 H new ATOM 0 HH22 ARG A 93 15.403 -9.638 14.260 1.00 0.00 H new ATOM 1426 N GLU A 94 9.834 -7.928 9.451 1.00 0.00 N ATOM 1427 CA GLU A 94 8.741 -7.783 8.497 1.00 0.00 C ATOM 1428 C GLU A 94 7.503 -7.200 9.173 1.00 0.00 C ATOM 1429 O GLU A 94 7.183 -7.517 10.318 1.00 0.00 O ATOM 1430 CB GLU A 94 8.402 -9.135 7.866 1.00 0.00 C ATOM 1431 CG GLU A 94 7.834 -10.142 8.853 1.00 0.00 C ATOM 1432 CD GLU A 94 7.882 -11.564 8.329 1.00 0.00 C ATOM 1433 OE1 GLU A 94 6.983 -11.938 7.547 1.00 0.00 O ATOM 1434 OE2 GLU A 94 8.818 -12.302 8.700 1.00 0.00 O ATOM 0 H GLU A 94 9.555 -7.845 10.429 1.00 0.00 H new ATOM 0 HA GLU A 94 9.064 -7.096 7.715 1.00 0.00 H new ATOM 0 HB2 GLU A 94 7.682 -8.981 7.062 1.00 0.00 H new ATOM 0 HB3 GLU A 94 9.302 -9.551 7.413 1.00 0.00 H new ATOM 0 HG2 GLU A 94 8.393 -10.084 9.787 1.00 0.00 H new ATOM 0 HG3 GLU A 94 6.802 -9.878 9.082 1.00 0.00 H new ATOM 1441 N PRO A 95 6.789 -6.327 8.447 1.00 0.00 N ATOM 1442 CA PRO A 95 5.575 -5.681 8.955 1.00 0.00 C ATOM 1443 C PRO A 95 4.415 -6.659 9.099 1.00 0.00 C ATOM 1444 O PRO A 95 4.028 -7.324 8.137 1.00 0.00 O ATOM 1445 CB PRO A 95 5.260 -4.630 7.888 1.00 0.00 C ATOM 1446 CG PRO A 95 5.880 -5.158 6.640 1.00 0.00 C ATOM 1447 CD PRO A 95 7.112 -5.903 7.074 1.00 0.00 C ATOM 0 HA PRO A 95 5.721 -5.265 9.952 1.00 0.00 H new ATOM 0 HB2 PRO A 95 4.185 -4.496 7.770 1.00 0.00 H new ATOM 0 HB3 PRO A 95 5.675 -3.658 8.155 1.00 0.00 H new ATOM 0 HG2 PRO A 95 5.192 -5.817 6.111 1.00 0.00 H new ATOM 0 HG3 PRO A 95 6.134 -4.347 5.957 1.00 0.00 H new ATOM 0 HD2 PRO A 95 7.314 -6.757 6.427 1.00 0.00 H new ATOM 0 HD3 PRO A 95 7.997 -5.267 7.048 1.00 0.00 H new ATOM 1455 N ASP A 96 3.863 -6.742 10.304 1.00 0.00 N ATOM 1456 CA ASP A 96 2.744 -7.638 10.573 1.00 0.00 C ATOM 1457 C ASP A 96 1.592 -7.374 9.610 1.00 0.00 C ATOM 1458 O ASP A 96 1.158 -6.233 9.444 1.00 0.00 O ATOM 1459 CB ASP A 96 2.267 -7.474 12.017 1.00 0.00 C ATOM 1460 CG ASP A 96 3.413 -7.251 12.983 1.00 0.00 C ATOM 1461 OD1 ASP A 96 4.257 -8.161 13.125 1.00 0.00 O ATOM 1462 OD2 ASP A 96 3.467 -6.165 13.598 1.00 0.00 O ATOM 0 H ASP A 96 4.172 -6.200 11.111 1.00 0.00 H new ATOM 0 HA ASP A 96 3.088 -8.662 10.427 1.00 0.00 H new ATOM 0 HB2 ASP A 96 1.577 -6.632 12.075 1.00 0.00 H new ATOM 0 HB3 ASP A 96 1.711 -8.363 12.316 1.00 0.00 H new ATOM 1467 N TRP A 97 1.101 -8.433 8.977 1.00 0.00 N ATOM 1468 CA TRP A 97 -0.001 -8.314 8.029 1.00 0.00 C ATOM 1469 C TRP A 97 -1.165 -7.543 8.641 1.00 0.00 C ATOM 1470 O TRP A 97 -1.709 -6.627 8.024 1.00 0.00 O ATOM 1471 CB TRP A 97 -0.470 -9.701 7.584 1.00 0.00 C ATOM 1472 CG TRP A 97 -0.974 -10.548 8.713 1.00 0.00 C ATOM 1473 CD1 TRP A 97 -0.232 -11.360 9.523 1.00 0.00 C ATOM 1474 CD2 TRP A 97 -2.330 -10.668 9.155 1.00 0.00 C ATOM 1475 NE1 TRP A 97 -1.046 -11.977 10.442 1.00 0.00 N ATOM 1476 CE2 TRP A 97 -2.338 -11.569 10.238 1.00 0.00 C ATOM 1477 CE3 TRP A 97 -3.539 -10.100 8.743 1.00 0.00 C ATOM 1478 CZ2 TRP A 97 -3.507 -11.914 10.911 1.00 0.00 C ATOM 1479 CZ3 TRP A 97 -4.698 -10.444 9.412 1.00 0.00 C ATOM 1480 CH2 TRP A 97 -4.676 -11.343 10.486 1.00 0.00 C ATOM 0 H TRP A 97 1.448 -9.384 9.103 1.00 0.00 H new ATOM 0 HA TRP A 97 0.358 -7.763 7.160 1.00 0.00 H new ATOM 0 HB2 TRP A 97 -1.261 -9.589 6.842 1.00 0.00 H new ATOM 0 HB3 TRP A 97 0.356 -10.216 7.094 1.00 0.00 H new ATOM 0 HD1 TRP A 97 0.837 -11.497 9.452 1.00 0.00 H new ATOM 0 HE1 TRP A 97 -0.738 -12.633 11.160 1.00 0.00 H new ATOM 0 HE3 TRP A 97 -3.567 -9.405 7.917 1.00 0.00 H new ATOM 0 HZ2 TRP A 97 -3.492 -12.607 11.739 1.00 0.00 H new ATOM 0 HZ3 TRP A 97 -5.638 -10.012 9.101 1.00 0.00 H new ATOM 0 HH2 TRP A 97 -5.599 -11.590 10.988 1.00 0.00 H new ATOM 1491 N LYS A 98 -1.543 -7.918 9.858 1.00 0.00 N ATOM 1492 CA LYS A 98 -2.642 -7.261 10.555 1.00 0.00 C ATOM 1493 C LYS A 98 -2.526 -5.744 10.445 1.00 0.00 C ATOM 1494 O LYS A 98 -3.516 -5.052 10.201 1.00 0.00 O ATOM 1495 CB LYS A 98 -2.660 -7.676 12.028 1.00 0.00 C ATOM 1496 CG LYS A 98 -2.560 -9.177 12.239 1.00 0.00 C ATOM 1497 CD LYS A 98 -2.923 -9.566 13.662 1.00 0.00 C ATOM 1498 CE LYS A 98 -4.428 -9.700 13.836 1.00 0.00 C ATOM 1499 NZ LYS A 98 -5.060 -8.407 14.218 1.00 0.00 N ATOM 0 H LYS A 98 -1.104 -8.674 10.383 1.00 0.00 H new ATOM 0 HA LYS A 98 -3.575 -7.572 10.085 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -1.832 -7.189 12.544 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -3.580 -7.314 12.488 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -3.223 -9.688 11.541 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -1.546 -9.510 12.017 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -2.441 -10.510 13.917 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -2.541 -8.816 14.354 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -4.870 -10.060 12.907 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -4.640 -10.448 14.600 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -5.786 -8.576 14.944 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -4.335 -7.765 14.597 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -5.502 -7.976 13.381 1.00 0.00 H new ATOM 1513 N CYS A 99 -1.313 -5.233 10.624 1.00 0.00 N ATOM 1514 CA CYS A 99 -1.068 -3.797 10.544 1.00 0.00 C ATOM 1515 C CYS A 99 -1.148 -3.312 9.100 1.00 0.00 C ATOM 1516 O CYS A 99 -2.019 -2.516 8.749 1.00 0.00 O ATOM 1517 CB CYS A 99 0.302 -3.459 11.133 1.00 0.00 C ATOM 1518 SG CYS A 99 0.322 -3.347 12.938 1.00 0.00 S ATOM 0 H CYS A 99 -0.484 -5.792 10.826 1.00 0.00 H new ATOM 0 HA CYS A 99 -1.839 -3.289 11.122 1.00 0.00 H new ATOM 0 HB2 CYS A 99 1.018 -4.218 10.819 1.00 0.00 H new ATOM 0 HB3 CYS A 99 0.640 -2.510 10.717 1.00 0.00 H new ATOM 0 HG CYS A 99 1.524 -3.060 13.342 1.00 0.00 H new ATOM 1524 N VAL A 100 -0.232 -3.796 8.267 1.00 0.00 N ATOM 1525 CA VAL A 100 -0.199 -3.411 6.861 1.00 0.00 C ATOM 1526 C VAL A 100 -1.603 -3.365 6.270 1.00 0.00 C ATOM 1527 O VAL A 100 -2.066 -2.315 5.824 1.00 0.00 O ATOM 1528 CB VAL A 100 0.663 -4.384 6.034 1.00 0.00 C ATOM 1529 CG1 VAL A 100 0.642 -3.997 4.563 1.00 0.00 C ATOM 1530 CG2 VAL A 100 2.088 -4.416 6.565 1.00 0.00 C ATOM 0 H VAL A 100 0.497 -4.455 8.541 1.00 0.00 H new ATOM 0 HA VAL A 100 0.243 -2.416 6.815 1.00 0.00 H new ATOM 0 HB VAL A 100 0.242 -5.385 6.128 1.00 0.00 H new ATOM 0 HG11 VAL A 100 1.256 -4.695 3.994 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -0.383 -4.030 4.193 1.00 0.00 H new ATOM 0 HG13 VAL A 100 1.037 -2.988 4.447 1.00 0.00 H new ATOM 0 HG21 VAL A 100 2.683 -5.108 5.969 1.00 0.00 H new ATOM 0 HG22 VAL A 100 2.522 -3.418 6.503 1.00 0.00 H new ATOM 0 HG23 VAL A 100 2.082 -4.745 7.604 1.00 0.00 H new ATOM 1540 N TYR A 101 -2.277 -4.510 6.270 1.00 0.00 N ATOM 1541 CA TYR A 101 -3.629 -4.601 5.732 1.00 0.00 C ATOM 1542 C TYR A 101 -4.439 -3.356 6.080 1.00 0.00 C ATOM 1543 O TYR A 101 -5.203 -2.848 5.259 1.00 0.00 O ATOM 1544 CB TYR A 101 -4.332 -5.848 6.272 1.00 0.00 C ATOM 1545 CG TYR A 101 -5.833 -5.822 6.092 1.00 0.00 C ATOM 1546 CD1 TYR A 101 -6.649 -5.149 6.994 1.00 0.00 C ATOM 1547 CD2 TYR A 101 -6.435 -6.469 5.020 1.00 0.00 C ATOM 1548 CE1 TYR A 101 -8.021 -5.124 6.834 1.00 0.00 C ATOM 1549 CE2 TYR A 101 -7.806 -6.447 4.851 1.00 0.00 C ATOM 1550 CZ TYR A 101 -8.595 -5.774 5.761 1.00 0.00 C ATOM 1551 OH TYR A 101 -9.961 -5.750 5.597 1.00 0.00 O ATOM 0 H TYR A 101 -1.909 -5.388 6.637 1.00 0.00 H new ATOM 0 HA TYR A 101 -3.557 -4.674 4.647 1.00 0.00 H new ATOM 0 HB2 TYR A 101 -3.929 -6.728 5.770 1.00 0.00 H new ATOM 0 HB3 TYR A 101 -4.103 -5.953 7.333 1.00 0.00 H new ATOM 0 HD1 TYR A 101 -6.203 -4.637 7.834 1.00 0.00 H new ATOM 0 HD2 TYR A 101 -5.821 -6.998 4.307 1.00 0.00 H new ATOM 0 HE1 TYR A 101 -8.641 -4.598 7.545 1.00 0.00 H new ATOM 0 HE2 TYR A 101 -8.258 -6.954 4.011 1.00 0.00 H new ATOM 0 HH TYR A 101 -10.203 -6.254 4.792 1.00 0.00 H new ATOM 1561 N THR A 102 -4.265 -2.868 7.304 1.00 0.00 N ATOM 1562 CA THR A 102 -4.979 -1.683 7.763 1.00 0.00 C ATOM 1563 C THR A 102 -4.689 -0.485 6.866 1.00 0.00 C ATOM 1564 O THR A 102 -5.597 0.076 6.251 1.00 0.00 O ATOM 1565 CB THR A 102 -4.602 -1.326 9.214 1.00 0.00 C ATOM 1566 OG1 THR A 102 -4.765 -2.471 10.058 1.00 0.00 O ATOM 1567 CG2 THR A 102 -5.461 -0.182 9.730 1.00 0.00 C ATOM 0 H THR A 102 -3.636 -3.275 7.996 1.00 0.00 H new ATOM 0 HA THR A 102 -6.042 -1.918 7.719 1.00 0.00 H new ATOM 0 HB THR A 102 -3.559 -1.011 9.228 1.00 0.00 H new ATOM 0 HG1 THR A 102 -4.018 -3.090 9.917 1.00 0.00 H new ATOM 0 HG21 THR A 102 -5.177 0.052 10.756 1.00 0.00 H new ATOM 0 HG22 THR A 102 -5.312 0.697 9.102 1.00 0.00 H new ATOM 0 HG23 THR A 102 -6.511 -0.474 9.702 1.00 0.00 H new ATOM 1575 N TYR A 103 -3.421 -0.098 6.795 1.00 0.00 N ATOM 1576 CA TYR A 103 -3.012 1.035 5.973 1.00 0.00 C ATOM 1577 C TYR A 103 -3.646 0.960 4.588 1.00 0.00 C ATOM 1578 O TYR A 103 -4.349 1.878 4.164 1.00 0.00 O ATOM 1579 CB TYR A 103 -1.488 1.078 5.847 1.00 0.00 C ATOM 1580 CG TYR A 103 -0.976 2.284 5.093 1.00 0.00 C ATOM 1581 CD1 TYR A 103 -0.683 3.469 5.755 1.00 0.00 C ATOM 1582 CD2 TYR A 103 -0.784 2.237 3.717 1.00 0.00 C ATOM 1583 CE1 TYR A 103 -0.216 4.574 5.070 1.00 0.00 C ATOM 1584 CE2 TYR A 103 -0.316 3.336 3.024 1.00 0.00 C ATOM 1585 CZ TYR A 103 -0.034 4.502 3.704 1.00 0.00 C ATOM 1586 OH TYR A 103 0.432 5.600 3.018 1.00 0.00 O ATOM 0 H TYR A 103 -2.658 -0.552 7.297 1.00 0.00 H new ATOM 0 HA TYR A 103 -3.355 1.947 6.461 1.00 0.00 H new ATOM 0 HB2 TYR A 103 -1.049 1.071 6.845 1.00 0.00 H new ATOM 0 HB3 TYR A 103 -1.148 0.174 5.343 1.00 0.00 H new ATOM 0 HD1 TYR A 103 -0.823 3.528 6.824 1.00 0.00 H new ATOM 0 HD2 TYR A 103 -1.005 1.326 3.181 1.00 0.00 H new ATOM 0 HE1 TYR A 103 0.005 5.488 5.600 1.00 0.00 H new ATOM 0 HE2 TYR A 103 -0.172 3.283 1.955 1.00 0.00 H new ATOM 0 HH TYR A 103 0.505 5.384 2.065 1.00 0.00 H new ATOM 1596 N ILE A 104 -3.392 -0.140 3.887 1.00 0.00 N ATOM 1597 CA ILE A 104 -3.939 -0.336 2.550 1.00 0.00 C ATOM 1598 C ILE A 104 -5.411 0.060 2.494 1.00 0.00 C ATOM 1599 O ILE A 104 -5.817 0.855 1.647 1.00 0.00 O ATOM 1600 CB ILE A 104 -3.796 -1.800 2.093 1.00 0.00 C ATOM 1601 CG1 ILE A 104 -2.319 -2.193 2.023 1.00 0.00 C ATOM 1602 CG2 ILE A 104 -4.467 -2.001 0.742 1.00 0.00 C ATOM 1603 CD1 ILE A 104 -1.532 -1.405 0.999 1.00 0.00 C ATOM 0 H ILE A 104 -2.811 -0.909 4.222 1.00 0.00 H new ATOM 0 HA ILE A 104 -3.367 0.304 1.878 1.00 0.00 H new ATOM 0 HB ILE A 104 -4.290 -2.443 2.822 1.00 0.00 H new ATOM 0 HG12 ILE A 104 -1.867 -2.051 3.005 1.00 0.00 H new ATOM 0 HG13 ILE A 104 -2.245 -3.255 1.788 1.00 0.00 H new ATOM 0 HG21 ILE A 104 -4.357 -3.040 0.432 1.00 0.00 H new ATOM 0 HG22 ILE A 104 -5.526 -1.756 0.822 1.00 0.00 H new ATOM 0 HG23 ILE A 104 -3.999 -1.351 0.003 1.00 0.00 H new ATOM 0 HD11 ILE A 104 -0.494 -1.736 1.004 1.00 0.00 H new ATOM 0 HD12 ILE A 104 -1.959 -1.566 0.009 1.00 0.00 H new ATOM 0 HD13 ILE A 104 -1.575 -0.344 1.245 1.00 0.00 H new ATOM 1615 N GLN A 105 -6.203 -0.498 3.403 1.00 0.00 N ATOM 1616 CA GLN A 105 -7.630 -0.201 3.458 1.00 0.00 C ATOM 1617 C GLN A 105 -7.868 1.285 3.703 1.00 0.00 C ATOM 1618 O GLN A 105 -8.723 1.899 3.066 1.00 0.00 O ATOM 1619 CB GLN A 105 -8.302 -1.025 4.558 1.00 0.00 C ATOM 1620 CG GLN A 105 -9.787 -0.738 4.711 1.00 0.00 C ATOM 1621 CD GLN A 105 -10.423 -1.540 5.829 1.00 0.00 C ATOM 1622 OE1 GLN A 105 -9.782 -1.840 6.837 1.00 0.00 O ATOM 1623 NE2 GLN A 105 -11.692 -1.893 5.657 1.00 0.00 N ATOM 0 H GLN A 105 -5.882 -1.158 4.111 1.00 0.00 H new ATOM 0 HA GLN A 105 -8.068 -0.467 2.496 1.00 0.00 H new ATOM 0 HB2 GLN A 105 -8.165 -2.085 4.342 1.00 0.00 H new ATOM 0 HB3 GLN A 105 -7.802 -0.826 5.506 1.00 0.00 H new ATOM 0 HG2 GLN A 105 -9.930 0.325 4.905 1.00 0.00 H new ATOM 0 HG3 GLN A 105 -10.295 -0.962 3.773 1.00 0.00 H new ATOM 0 HE21 GLN A 105 -12.186 -1.623 4.806 1.00 0.00 H new ATOM 0 HE22 GLN A 105 -12.173 -2.434 6.376 1.00 0.00 H new ATOM 1632 N GLU A 106 -7.105 1.857 4.630 1.00 0.00 N ATOM 1633 CA GLU A 106 -7.235 3.272 4.958 1.00 0.00 C ATOM 1634 C GLU A 106 -6.988 4.141 3.729 1.00 0.00 C ATOM 1635 O GLU A 106 -7.835 4.948 3.345 1.00 0.00 O ATOM 1636 CB GLU A 106 -6.255 3.652 6.070 1.00 0.00 C ATOM 1637 CG GLU A 106 -6.433 5.072 6.579 1.00 0.00 C ATOM 1638 CD GLU A 106 -7.888 5.430 6.813 1.00 0.00 C ATOM 1639 OE1 GLU A 106 -8.631 4.575 7.339 1.00 0.00 O ATOM 1640 OE2 GLU A 106 -8.283 6.564 6.471 1.00 0.00 O ATOM 0 H GLU A 106 -6.392 1.363 5.166 1.00 0.00 H new ATOM 0 HA GLU A 106 -8.253 3.446 5.305 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -6.377 2.959 6.902 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -5.236 3.532 5.701 1.00 0.00 H new ATOM 0 HG2 GLU A 106 -5.879 5.192 7.510 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -6.003 5.768 5.859 1.00 0.00 H new ATOM 1647 N PHE A 107 -5.822 3.970 3.115 1.00 0.00 N ATOM 1648 CA PHE A 107 -5.462 4.740 1.930 1.00 0.00 C ATOM 1649 C PHE A 107 -6.507 4.568 0.832 1.00 0.00 C ATOM 1650 O PHE A 107 -6.894 5.532 0.171 1.00 0.00 O ATOM 1651 CB PHE A 107 -4.088 4.308 1.413 1.00 0.00 C ATOM 1652 CG PHE A 107 -3.468 5.292 0.464 1.00 0.00 C ATOM 1653 CD1 PHE A 107 -3.246 6.604 0.852 1.00 0.00 C ATOM 1654 CD2 PHE A 107 -3.107 4.906 -0.817 1.00 0.00 C ATOM 1655 CE1 PHE A 107 -2.675 7.512 -0.020 1.00 0.00 C ATOM 1656 CE2 PHE A 107 -2.535 5.810 -1.693 1.00 0.00 C ATOM 1657 CZ PHE A 107 -2.320 7.115 -1.294 1.00 0.00 C ATOM 0 H PHE A 107 -5.110 3.305 3.418 1.00 0.00 H new ATOM 0 HA PHE A 107 -5.423 5.793 2.209 1.00 0.00 H new ATOM 0 HB2 PHE A 107 -3.419 4.162 2.261 1.00 0.00 H new ATOM 0 HB3 PHE A 107 -4.183 3.344 0.913 1.00 0.00 H new ATOM 0 HD1 PHE A 107 -3.522 6.920 1.847 1.00 0.00 H new ATOM 0 HD2 PHE A 107 -3.274 3.887 -1.135 1.00 0.00 H new ATOM 0 HE1 PHE A 107 -2.507 8.531 0.295 1.00 0.00 H new ATOM 0 HE2 PHE A 107 -2.257 5.496 -2.688 1.00 0.00 H new ATOM 0 HZ PHE A 107 -1.875 7.823 -1.977 1.00 0.00 H new ATOM 1667 N TYR A 108 -6.960 3.334 0.642 1.00 0.00 N ATOM 1668 CA TYR A 108 -7.959 3.034 -0.377 1.00 0.00 C ATOM 1669 C TYR A 108 -9.153 3.977 -0.265 1.00 0.00 C ATOM 1670 O TYR A 108 -9.610 4.539 -1.260 1.00 0.00 O ATOM 1671 CB TYR A 108 -8.427 1.583 -0.252 1.00 0.00 C ATOM 1672 CG TYR A 108 -8.955 1.003 -1.544 1.00 0.00 C ATOM 1673 CD1 TYR A 108 -10.093 1.523 -2.148 1.00 0.00 C ATOM 1674 CD2 TYR A 108 -8.315 -0.065 -2.162 1.00 0.00 C ATOM 1675 CE1 TYR A 108 -10.579 0.996 -3.329 1.00 0.00 C ATOM 1676 CE2 TYR A 108 -8.794 -0.598 -3.343 1.00 0.00 C ATOM 1677 CZ TYR A 108 -9.926 -0.064 -3.922 1.00 0.00 C ATOM 1678 OH TYR A 108 -10.407 -0.592 -5.099 1.00 0.00 O ATOM 0 H TYR A 108 -6.651 2.525 1.181 1.00 0.00 H new ATOM 0 HA TYR A 108 -7.497 3.177 -1.354 1.00 0.00 H new ATOM 0 HB2 TYR A 108 -7.596 0.971 0.098 1.00 0.00 H new ATOM 0 HB3 TYR A 108 -9.207 1.526 0.507 1.00 0.00 H new ATOM 0 HD1 TYR A 108 -10.607 2.353 -1.686 1.00 0.00 H new ATOM 0 HD2 TYR A 108 -7.428 -0.485 -1.711 1.00 0.00 H new ATOM 0 HE1 TYR A 108 -11.465 1.412 -3.785 1.00 0.00 H new ATOM 0 HE2 TYR A 108 -8.285 -1.428 -3.810 1.00 0.00 H new ATOM 0 HH TYR A 108 -9.657 -0.896 -5.652 1.00 0.00 H new ATOM 1688 N ARG A 109 -9.652 4.145 0.955 1.00 0.00 N ATOM 1689 CA ARG A 109 -10.793 5.019 1.200 1.00 0.00 C ATOM 1690 C ARG A 109 -10.489 6.447 0.755 1.00 0.00 C ATOM 1691 O ARG A 109 -11.369 7.155 0.264 1.00 0.00 O ATOM 1692 CB ARG A 109 -11.165 5.004 2.684 1.00 0.00 C ATOM 1693 CG ARG A 109 -12.504 5.659 2.982 1.00 0.00 C ATOM 1694 CD ARG A 109 -13.164 5.046 4.207 1.00 0.00 C ATOM 1695 NE ARG A 109 -14.096 5.970 4.848 1.00 0.00 N ATOM 1696 CZ ARG A 109 -13.713 7.039 5.536 1.00 0.00 C ATOM 1697 NH1 ARG A 109 -12.424 7.319 5.672 1.00 0.00 N ATOM 1698 NH2 ARG A 109 -14.621 7.833 6.090 1.00 0.00 N ATOM 0 H ARG A 109 -9.284 3.688 1.789 1.00 0.00 H new ATOM 0 HA ARG A 109 -11.636 4.647 0.618 1.00 0.00 H new ATOM 0 HB2 ARG A 109 -11.189 3.972 3.034 1.00 0.00 H new ATOM 0 HB3 ARG A 109 -10.386 5.514 3.250 1.00 0.00 H new ATOM 0 HG2 ARG A 109 -12.360 6.728 3.141 1.00 0.00 H new ATOM 0 HG3 ARG A 109 -13.163 5.551 2.120 1.00 0.00 H new ATOM 0 HD2 ARG A 109 -13.695 4.139 3.917 1.00 0.00 H new ATOM 0 HD3 ARG A 109 -12.397 4.751 4.923 1.00 0.00 H new ATOM 0 HE ARG A 109 -15.095 5.784 4.762 1.00 0.00 H new ATOM 0 HH11 ARG A 109 -11.723 6.712 5.247 1.00 0.00 H new ATOM 0 HH12 ARG A 109 -12.134 8.141 6.201 1.00 0.00 H new ATOM 0 HH21 ARG A 109 -15.614 7.622 5.987 1.00 0.00 H new ATOM 0 HH22 ARG A 109 -14.326 8.654 6.618 1.00 0.00 H new ATOM 1712 N CYS A 110 -9.240 6.863 0.931 1.00 0.00 N ATOM 1713 CA CYS A 110 -8.820 8.206 0.549 1.00 0.00 C ATOM 1714 C CYS A 110 -8.899 8.392 -0.963 1.00 0.00 C ATOM 1715 O CYS A 110 -9.381 9.415 -1.450 1.00 0.00 O ATOM 1716 CB CYS A 110 -7.395 8.475 1.035 1.00 0.00 C ATOM 1717 SG CYS A 110 -7.187 8.336 2.825 1.00 0.00 S ATOM 0 H CYS A 110 -8.500 6.289 1.336 1.00 0.00 H new ATOM 0 HA CYS A 110 -9.497 8.919 1.020 1.00 0.00 H new ATOM 0 HB2 CYS A 110 -6.718 7.775 0.546 1.00 0.00 H new ATOM 0 HB3 CYS A 110 -7.099 9.476 0.722 1.00 0.00 H new ATOM 0 HG CYS A 110 -7.421 7.112 3.195 1.00 0.00 H new ATOM 1723 N LEU A 111 -8.421 7.396 -1.701 1.00 0.00 N ATOM 1724 CA LEU A 111 -8.435 7.449 -3.159 1.00 0.00 C ATOM 1725 C LEU A 111 -9.859 7.608 -3.684 1.00 0.00 C ATOM 1726 O LEU A 111 -10.155 8.539 -4.433 1.00 0.00 O ATOM 1727 CB LEU A 111 -7.803 6.183 -3.741 1.00 0.00 C ATOM 1728 CG LEU A 111 -6.433 5.799 -3.181 1.00 0.00 C ATOM 1729 CD1 LEU A 111 -5.952 4.494 -3.797 1.00 0.00 C ATOM 1730 CD2 LEU A 111 -5.425 6.911 -3.429 1.00 0.00 C ATOM 0 H LEU A 111 -8.019 6.542 -1.314 1.00 0.00 H new ATOM 0 HA LEU A 111 -7.853 8.315 -3.473 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -8.487 5.351 -3.576 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -7.710 6.310 -4.820 1.00 0.00 H new ATOM 0 HG LEU A 111 -6.528 5.656 -2.105 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -4.976 4.236 -3.387 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -6.663 3.700 -3.568 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -5.872 4.609 -4.878 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -4.456 6.620 -3.024 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -5.333 7.086 -4.501 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -5.763 7.825 -2.940 1.00 0.00 H new ATOM 1742 N VAL A 112 -10.737 6.694 -3.284 1.00 0.00 N ATOM 1743 CA VAL A 112 -12.131 6.735 -3.712 1.00 0.00 C ATOM 1744 C VAL A 112 -12.695 8.147 -3.611 1.00 0.00 C ATOM 1745 O VAL A 112 -13.339 8.636 -4.539 1.00 0.00 O ATOM 1746 CB VAL A 112 -13.003 5.783 -2.872 1.00 0.00 C ATOM 1747 CG1 VAL A 112 -14.478 6.108 -3.056 1.00 0.00 C ATOM 1748 CG2 VAL A 112 -12.718 4.335 -3.239 1.00 0.00 C ATOM 0 H VAL A 112 -10.508 5.916 -2.665 1.00 0.00 H new ATOM 0 HA VAL A 112 -12.153 6.412 -4.753 1.00 0.00 H new ATOM 0 HB VAL A 112 -12.753 5.923 -1.820 1.00 0.00 H new ATOM 0 HG11 VAL A 112 -15.079 5.425 -2.455 1.00 0.00 H new ATOM 0 HG12 VAL A 112 -14.667 7.133 -2.738 1.00 0.00 H new ATOM 0 HG13 VAL A 112 -14.746 5.998 -4.107 1.00 0.00 H new ATOM 0 HG21 VAL A 112 -13.343 3.677 -2.636 1.00 0.00 H new ATOM 0 HG22 VAL A 112 -12.938 4.177 -4.295 1.00 0.00 H new ATOM 0 HG23 VAL A 112 -11.668 4.112 -3.050 1.00 0.00 H new ATOM 1758 N GLN A 113 -12.450 8.797 -2.478 1.00 0.00 N ATOM 1759 CA GLN A 113 -12.934 10.154 -2.256 1.00 0.00 C ATOM 1760 C GLN A 113 -12.400 11.105 -3.323 1.00 0.00 C ATOM 1761 O GLN A 113 -13.166 11.804 -3.986 1.00 0.00 O ATOM 1762 CB GLN A 113 -12.522 10.645 -0.867 1.00 0.00 C ATOM 1763 CG GLN A 113 -13.250 9.941 0.267 1.00 0.00 C ATOM 1764 CD GLN A 113 -14.755 9.936 0.081 1.00 0.00 C ATOM 1765 OE1 GLN A 113 -15.311 9.031 -0.541 1.00 0.00 O ATOM 1766 NE2 GLN A 113 -15.422 10.950 0.620 1.00 0.00 N ATOM 0 H GLN A 113 -11.919 8.406 -1.700 1.00 0.00 H new ATOM 0 HA GLN A 113 -14.022 10.139 -2.320 1.00 0.00 H new ATOM 0 HB2 GLN A 113 -11.449 10.501 -0.743 1.00 0.00 H new ATOM 0 HB3 GLN A 113 -12.710 11.716 -0.799 1.00 0.00 H new ATOM 0 HG2 GLN A 113 -12.893 8.914 0.340 1.00 0.00 H new ATOM 0 HG3 GLN A 113 -13.006 10.431 1.210 1.00 0.00 H new ATOM 0 HE21 GLN A 113 -14.920 11.679 1.127 1.00 0.00 H new ATOM 0 HE22 GLN A 113 -16.436 11.000 0.527 1.00 0.00 H new ATOM 1775 N LYS A 114 -11.081 11.125 -3.483 1.00 0.00 N ATOM 1776 CA LYS A 114 -10.443 11.988 -4.469 1.00 0.00 C ATOM 1777 C LYS A 114 -10.966 11.692 -5.871 1.00 0.00 C ATOM 1778 O LYS A 114 -10.907 12.541 -6.759 1.00 0.00 O ATOM 1779 CB LYS A 114 -8.924 11.806 -4.431 1.00 0.00 C ATOM 1780 CG LYS A 114 -8.224 12.732 -3.451 1.00 0.00 C ATOM 1781 CD LYS A 114 -8.110 12.103 -2.073 1.00 0.00 C ATOM 1782 CE LYS A 114 -6.871 12.592 -1.338 1.00 0.00 C ATOM 1783 NZ LYS A 114 -6.996 12.420 0.136 1.00 0.00 N ATOM 0 H LYS A 114 -10.433 10.553 -2.942 1.00 0.00 H new ATOM 0 HA LYS A 114 -10.685 13.021 -4.220 1.00 0.00 H new ATOM 0 HB2 LYS A 114 -8.697 10.773 -4.167 1.00 0.00 H new ATOM 0 HB3 LYS A 114 -8.521 11.976 -5.429 1.00 0.00 H new ATOM 0 HG2 LYS A 114 -7.229 12.974 -3.825 1.00 0.00 H new ATOM 0 HG3 LYS A 114 -8.774 13.670 -3.379 1.00 0.00 H new ATOM 0 HD2 LYS A 114 -8.999 12.341 -1.489 1.00 0.00 H new ATOM 0 HD3 LYS A 114 -8.073 11.018 -2.169 1.00 0.00 H new ATOM 0 HE2 LYS A 114 -5.998 12.045 -1.695 1.00 0.00 H new ATOM 0 HE3 LYS A 114 -6.704 13.644 -1.568 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 -6.564 13.234 0.618 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 -8.002 12.358 0.394 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 -6.509 11.548 0.426 1.00 0.00 H new ATOM 1797 N GLY A 115 -11.479 10.480 -6.062 1.00 0.00 N ATOM 1798 CA GLY A 115 -12.007 10.094 -7.358 1.00 0.00 C ATOM 1799 C GLY A 115 -10.998 9.327 -8.190 1.00 0.00 C ATOM 1800 O GLY A 115 -11.127 9.240 -9.411 1.00 0.00 O ATOM 0 H GLY A 115 -11.538 9.759 -5.343 1.00 0.00 H new ATOM 0 HA2 GLY A 115 -12.897 9.481 -7.216 1.00 0.00 H new ATOM 0 HA3 GLY A 115 -12.317 10.987 -7.901 1.00 0.00 H new ATOM 1804 N LEU A 116 -9.989 8.771 -7.528 1.00 0.00 N ATOM 1805 CA LEU A 116 -8.952 8.008 -8.213 1.00 0.00 C ATOM 1806 C LEU A 116 -9.428 6.590 -8.514 1.00 0.00 C ATOM 1807 O LEU A 116 -9.287 6.101 -9.635 1.00 0.00 O ATOM 1808 CB LEU A 116 -7.680 7.962 -7.365 1.00 0.00 C ATOM 1809 CG LEU A 116 -6.873 9.259 -7.295 1.00 0.00 C ATOM 1810 CD1 LEU A 116 -5.802 9.164 -6.220 1.00 0.00 C ATOM 1811 CD2 LEU A 116 -6.249 9.573 -8.647 1.00 0.00 C ATOM 0 H LEU A 116 -9.867 8.835 -6.517 1.00 0.00 H new ATOM 0 HA LEU A 116 -8.733 8.506 -9.157 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -7.954 7.673 -6.350 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -7.034 7.176 -7.757 1.00 0.00 H new ATOM 0 HG LEU A 116 -7.550 10.072 -7.033 1.00 0.00 H new ATOM 0 HD11 LEU A 116 -5.238 10.096 -6.185 1.00 0.00 H new ATOM 0 HD12 LEU A 116 -6.272 8.988 -5.253 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -5.127 8.340 -6.451 1.00 0.00 H new ATOM 0 HD21 LEU A 116 -5.679 10.499 -8.578 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -5.585 8.759 -8.939 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -7.035 9.686 -9.393 1.00 0.00 H new ATOM 1823 N VAL A 117 -9.993 5.935 -7.505 1.00 0.00 N ATOM 1824 CA VAL A 117 -10.493 4.574 -7.662 1.00 0.00 C ATOM 1825 C VAL A 117 -12.017 4.545 -7.657 1.00 0.00 C ATOM 1826 O VAL A 117 -12.660 5.213 -6.846 1.00 0.00 O ATOM 1827 CB VAL A 117 -9.969 3.652 -6.545 1.00 0.00 C ATOM 1828 CG1 VAL A 117 -10.537 2.249 -6.701 1.00 0.00 C ATOM 1829 CG2 VAL A 117 -8.448 3.623 -6.548 1.00 0.00 C ATOM 0 H VAL A 117 -10.116 6.324 -6.570 1.00 0.00 H new ATOM 0 HA VAL A 117 -10.129 4.211 -8.623 1.00 0.00 H new ATOM 0 HB VAL A 117 -10.300 4.048 -5.585 1.00 0.00 H new ATOM 0 HG11 VAL A 117 -10.156 1.611 -5.903 1.00 0.00 H new ATOM 0 HG12 VAL A 117 -11.625 2.289 -6.646 1.00 0.00 H new ATOM 0 HG13 VAL A 117 -10.238 1.840 -7.666 1.00 0.00 H new ATOM 0 HG21 VAL A 117 -8.095 2.967 -5.752 1.00 0.00 H new ATOM 0 HG22 VAL A 117 -8.093 3.251 -7.509 1.00 0.00 H new ATOM 0 HG23 VAL A 117 -8.065 4.630 -6.384 1.00 0.00 H new