USER MOD reduce.3.24.130724 H: found=0, std=0, add=506, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 504 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 12 CYS SG : rot 106:sc= -12.4! USER MOD Set 1.2: A 16 GLN : amide:sc= -11.8! C(o=-24!,f=-31!) USER MOD Set 2.1: A 2 GLN :FLIP amide:sc= 0.0236 F(o=-0.65,f=-0.056) USER MOD Set 2.2: A 11 GLN :FLIP amide:sc= -0.0793 F(o=-0.57,f=-0.056) USER MOD Single : A 1 MET CE :methyl -177:sc= -11! (180deg=-11.5!) USER MOD Single : A 1 MET N :NH3+ -150:sc= 0.00316 (180deg=0) USER MOD Single : A 6 ASN : amide:sc= 0 X(o=0,f=-0.039) USER MOD Single : A 8 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 10 MET CE :methyl 163:sc= -9.17! (180deg=-9.68!) USER MOD Single : A 17 THR OG1 : rot 131:sc= 1.68 USER MOD Single : A 19 HIS : no HD1:sc= -0.242 X(o=-0.24,f=0) USER MOD Single : A 24 GLN : amide:sc= -0.533 K(o=-0.53,f=-2.9!) USER MOD Single : A 27 GLN : amide:sc= 0 X(o=0,f=-0.18) USER MOD Single : A 29 GLN : amide:sc= -0.0017 K(o=-0.0017,f=-0.87) USER MOD Single : A 37 ASN : amide:sc= -0.107 K(o=-0.11,f=-2.4!) USER MOD Single : A 38 GLN : amide:sc= -1.95 K(o=-1.9,f=-4.2!) USER MOD Single : A 39 GLN :FLIP amide:sc= -3.16! C(o=-5.9!,f=-3.2!) USER MOD Single : A 45 GLN : amide:sc= -0.303 K(o=-0.3,f=-3.4!) USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=-0.053) USER MOD Single : A 49 HIS :FLIP no HD1:sc= -4.7! C(o=-7.4!,f=-4.7!) USER MOD Single : A 52 GLN : amide:sc= 0 X(o=0,f=-0.072) USER MOD Single : A 56 GLN :FLIP amide:sc=-0.00647 F(o=-0.62,f=-0.0065) USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -14.502 2.133 -1.602 1.00 0.00 N ATOM 2 CA MET A 1 -13.429 2.662 -0.715 1.00 0.00 C ATOM 3 C MET A 1 -12.471 3.545 -1.510 1.00 0.00 C ATOM 4 O MET A 1 -12.466 3.541 -2.726 1.00 0.00 O ATOM 5 CB MET A 1 -12.730 1.422 -0.154 1.00 0.00 C ATOM 6 CG MET A 1 -11.441 1.144 -0.907 1.00 0.00 C ATOM 7 SD MET A 1 -10.109 2.102 -0.156 1.00 0.00 S ATOM 8 CE MET A 1 -9.612 0.918 1.107 1.00 0.00 C ATOM 0 H1 MET A 1 -15.371 1.989 -1.048 1.00 0.00 H new ATOM 0 H2 MET A 1 -14.687 2.813 -2.367 1.00 0.00 H new ATOM 0 H3 MET A 1 -14.198 1.226 -2.011 1.00 0.00 H new ATOM 0 HA MET A 1 -13.818 3.290 0.087 1.00 0.00 H new ATOM 0 HB2 MET A 1 -12.514 1.568 0.904 1.00 0.00 H new ATOM 0 HB3 MET A 1 -13.393 0.560 -0.228 1.00 0.00 H new ATOM 0 HG2 MET A 1 -11.206 0.080 -0.873 1.00 0.00 H new ATOM 0 HG3 MET A 1 -11.553 1.412 -1.958 1.00 0.00 H new ATOM 0 HE1 MET A 1 -8.823 1.351 1.722 1.00 0.00 H new ATOM 0 HE2 MET A 1 -10.469 0.675 1.735 1.00 0.00 H new ATOM 0 HE3 MET A 1 -9.243 0.010 0.630 1.00 0.00 H new ATOM 20 N GLN A 2 -11.651 4.285 -0.825 1.00 0.00 N ATOM 21 CA GLN A 2 -10.675 5.152 -1.527 1.00 0.00 C ATOM 22 C GLN A 2 -9.370 5.217 -0.776 1.00 0.00 C ATOM 23 O GLN A 2 -9.282 4.914 0.396 1.00 0.00 O ATOM 24 CB GLN A 2 -11.332 6.514 -1.589 1.00 0.00 C ATOM 25 CG GLN A 2 -10.285 7.627 -1.745 1.00 0.00 C ATOM 26 CD GLN A 2 -10.918 8.830 -2.449 1.00 0.00 C ATOM 27 OE1 GLN A 2 -11.340 8.711 -3.680 1.00 0.00 O flip ATOM 28 NE2 GLN A 2 -11.032 9.892 -1.872 1.00 0.00 N flip ATOM 0 H GLN A 2 -11.615 4.326 0.194 1.00 0.00 H new ATOM 0 HA GLN A 2 -10.433 4.770 -2.519 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -12.029 6.547 -2.426 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -11.914 6.682 -0.683 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -9.905 7.923 -0.767 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -9.434 7.262 -2.320 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -10.704 9.988 -0.911 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -11.456 10.688 -2.348 1.00 0.00 H new ATOM 37 N ILE A 3 -8.339 5.556 -1.482 1.00 0.00 N ATOM 38 CA ILE A 3 -7.008 5.587 -0.871 1.00 0.00 C ATOM 39 C ILE A 3 -6.163 6.706 -1.438 1.00 0.00 C ATOM 40 O ILE A 3 -6.516 7.360 -2.398 1.00 0.00 O ATOM 41 CB ILE A 3 -6.405 4.244 -1.281 1.00 0.00 C ATOM 42 CG1 ILE A 3 -5.677 4.367 -2.634 1.00 0.00 C ATOM 43 CG2 ILE A 3 -7.534 3.224 -1.398 1.00 0.00 C ATOM 44 CD1 ILE A 3 -5.867 3.096 -3.472 1.00 0.00 C ATOM 0 H ILE A 3 -8.369 5.815 -2.468 1.00 0.00 H new ATOM 0 HA ILE A 3 -7.053 5.750 0.206 1.00 0.00 H new ATOM 0 HB ILE A 3 -5.681 3.927 -0.531 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -6.059 5.229 -3.181 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -4.614 4.542 -2.466 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -7.123 2.258 -1.690 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -8.038 3.128 -0.437 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -8.248 3.557 -2.151 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -5.345 3.205 -4.422 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -5.462 2.240 -2.932 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -6.929 2.938 -3.658 1.00 0.00 H new ATOM 56 N LEU A 4 -5.003 6.854 -0.904 1.00 0.00 N ATOM 57 CA LEU A 4 -4.076 7.835 -1.456 1.00 0.00 C ATOM 58 C LEU A 4 -2.790 7.096 -1.772 1.00 0.00 C ATOM 59 O LEU A 4 -2.058 6.704 -0.890 1.00 0.00 O ATOM 60 CB LEU A 4 -3.842 8.869 -0.366 1.00 0.00 C ATOM 61 CG LEU A 4 -2.872 9.923 -0.904 1.00 0.00 C ATOM 62 CD1 LEU A 4 -1.460 9.355 -0.875 1.00 0.00 C ATOM 63 CD2 LEU A 4 -3.247 10.262 -2.343 1.00 0.00 C ATOM 0 H LEU A 4 -4.658 6.330 -0.100 1.00 0.00 H new ATOM 0 HA LEU A 4 -4.448 8.323 -2.357 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -4.784 9.333 -0.075 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -3.431 8.395 0.525 1.00 0.00 H new ATOM 0 HG LEU A 4 -2.923 10.822 -0.290 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -0.761 10.099 -1.257 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -1.192 9.098 0.150 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -1.414 8.461 -1.497 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -2.559 11.013 -2.731 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -3.187 9.363 -2.956 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -4.264 10.653 -2.371 1.00 0.00 H new ATOM 75 N PHE A 5 -2.505 6.883 -3.012 1.00 0.00 N ATOM 76 CA PHE A 5 -1.267 6.154 -3.347 1.00 0.00 C ATOM 77 C PHE A 5 -0.199 7.149 -3.809 1.00 0.00 C ATOM 78 O PHE A 5 -0.258 7.676 -4.900 1.00 0.00 O ATOM 79 CB PHE A 5 -1.676 5.203 -4.471 1.00 0.00 C ATOM 80 CG PHE A 5 -0.485 4.384 -4.891 1.00 0.00 C ATOM 81 CD1 PHE A 5 0.029 3.418 -4.022 1.00 0.00 C ATOM 82 CD2 PHE A 5 0.105 4.585 -6.144 1.00 0.00 C ATOM 83 CE1 PHE A 5 1.133 2.650 -4.404 1.00 0.00 C ATOM 84 CE2 PHE A 5 1.208 3.817 -6.529 1.00 0.00 C ATOM 85 CZ PHE A 5 1.724 2.849 -5.656 1.00 0.00 C ATOM 0 H PHE A 5 -3.072 7.180 -3.807 1.00 0.00 H new ATOM 0 HA PHE A 5 -0.841 5.611 -2.503 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -2.480 4.549 -4.134 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -2.060 5.769 -5.320 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -0.427 3.265 -3.055 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -0.292 5.334 -6.814 1.00 0.00 H new ATOM 0 HE1 PHE A 5 1.530 1.903 -3.732 1.00 0.00 H new ATOM 0 HE2 PHE A 5 1.662 3.969 -7.497 1.00 0.00 H new ATOM 0 HZ PHE A 5 2.578 2.257 -5.950 1.00 0.00 H new ATOM 95 N ASN A 6 0.764 7.432 -2.981 1.00 0.00 N ATOM 96 CA ASN A 6 1.811 8.415 -3.369 1.00 0.00 C ATOM 97 C ASN A 6 1.151 9.738 -3.703 1.00 0.00 C ATOM 98 O ASN A 6 1.265 10.275 -4.788 1.00 0.00 O ATOM 99 CB ASN A 6 2.533 7.820 -4.577 1.00 0.00 C ATOM 100 CG ASN A 6 3.833 8.588 -4.824 1.00 0.00 C ATOM 101 OD1 ASN A 6 4.706 8.619 -3.980 1.00 0.00 O ATOM 102 ND2 ASN A 6 3.997 9.213 -5.957 1.00 0.00 N ATOM 0 H ASN A 6 0.872 7.025 -2.052 1.00 0.00 H new ATOM 0 HA ASN A 6 2.524 8.605 -2.567 1.00 0.00 H new ATOM 0 HB2 ASN A 6 2.749 6.766 -4.402 1.00 0.00 H new ATOM 0 HB3 ASN A 6 1.894 7.873 -5.458 1.00 0.00 H new ATOM 0 HD21 ASN A 6 4.859 9.728 -6.135 1.00 0.00 H new ATOM 0 HD22 ASN A 6 3.263 9.186 -6.665 1.00 0.00 H new ATOM 109 N ASP A 7 0.454 10.242 -2.748 1.00 0.00 N ATOM 110 CA ASP A 7 -0.271 11.527 -2.908 1.00 0.00 C ATOM 111 C ASP A 7 -1.245 11.430 -4.086 1.00 0.00 C ATOM 112 O ASP A 7 -1.714 12.426 -4.599 1.00 0.00 O ATOM 113 CB ASP A 7 0.781 12.606 -3.159 1.00 0.00 C ATOM 114 CG ASP A 7 2.147 12.193 -2.588 1.00 0.00 C ATOM 115 OD1 ASP A 7 2.366 12.415 -1.409 1.00 0.00 O ATOM 116 OD2 ASP A 7 2.950 11.668 -3.344 1.00 0.00 O ATOM 0 H ASP A 7 0.348 9.809 -1.830 1.00 0.00 H new ATOM 0 HA ASP A 7 -0.854 11.767 -2.019 1.00 0.00 H new ATOM 0 HB2 ASP A 7 0.871 12.788 -4.230 1.00 0.00 H new ATOM 0 HB3 ASP A 7 0.461 13.543 -2.703 1.00 0.00 H new ATOM 121 N GLN A 8 -1.587 10.232 -4.487 1.00 0.00 N ATOM 122 CA GLN A 8 -2.576 10.060 -5.603 1.00 0.00 C ATOM 123 C GLN A 8 -3.868 9.452 -5.041 1.00 0.00 C ATOM 124 O GLN A 8 -3.863 8.363 -4.519 1.00 0.00 O ATOM 125 CB GLN A 8 -1.928 9.080 -6.589 1.00 0.00 C ATOM 126 CG GLN A 8 -0.538 9.576 -6.979 1.00 0.00 C ATOM 127 CD GLN A 8 -0.199 9.067 -8.383 1.00 0.00 C ATOM 128 OE1 GLN A 8 -0.079 9.843 -9.310 1.00 0.00 O ATOM 129 NE2 GLN A 8 -0.044 7.786 -8.580 1.00 0.00 N ATOM 0 H GLN A 8 -1.226 9.363 -4.092 1.00 0.00 H new ATOM 0 HA GLN A 8 -2.822 11.007 -6.083 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -1.857 8.090 -6.137 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -2.551 8.981 -7.478 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -0.508 10.665 -6.957 1.00 0.00 H new ATOM 0 HG3 GLN A 8 0.202 9.222 -6.262 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -0.145 7.134 -7.802 1.00 0.00 H new ATOM 0 HE22 GLN A 8 0.178 7.437 -9.512 1.00 0.00 H new ATOM 138 N ALA A 9 -4.974 10.131 -5.126 1.00 0.00 N ATOM 139 CA ALA A 9 -6.228 9.540 -4.561 1.00 0.00 C ATOM 140 C ALA A 9 -6.719 8.373 -5.424 1.00 0.00 C ATOM 141 O ALA A 9 -6.466 8.310 -6.610 1.00 0.00 O ATOM 142 CB ALA A 9 -7.249 10.674 -4.540 1.00 0.00 C ATOM 0 H ALA A 9 -5.071 11.053 -5.552 1.00 0.00 H new ATOM 0 HA ALA A 9 -6.064 9.135 -3.562 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -8.192 10.307 -4.136 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -6.878 11.486 -3.915 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -7.407 11.040 -5.554 1.00 0.00 H new ATOM 148 N MET A 10 -7.390 7.428 -4.820 1.00 0.00 N ATOM 149 CA MET A 10 -7.870 6.231 -5.589 1.00 0.00 C ATOM 150 C MET A 10 -9.147 5.634 -5.010 1.00 0.00 C ATOM 151 O MET A 10 -9.552 5.941 -3.911 1.00 0.00 O ATOM 152 CB MET A 10 -6.801 5.198 -5.328 1.00 0.00 C ATOM 153 CG MET A 10 -6.651 4.255 -6.507 1.00 0.00 C ATOM 154 SD MET A 10 -5.260 4.785 -7.537 1.00 0.00 S ATOM 155 CE MET A 10 -3.937 4.150 -6.476 1.00 0.00 C ATOM 0 H MET A 10 -7.629 7.429 -3.828 1.00 0.00 H new ATOM 0 HA MET A 10 -8.055 6.503 -6.628 1.00 0.00 H new ATOM 0 HB2 MET A 10 -5.851 5.695 -5.133 1.00 0.00 H new ATOM 0 HB3 MET A 10 -7.052 4.629 -4.433 1.00 0.00 H new ATOM 0 HG2 MET A 10 -6.487 3.237 -6.153 1.00 0.00 H new ATOM 0 HG3 MET A 10 -7.568 4.244 -7.095 1.00 0.00 H new ATOM 0 HE1 MET A 10 -3.009 4.094 -7.045 1.00 0.00 H new ATOM 0 HE2 MET A 10 -3.801 4.818 -5.625 1.00 0.00 H new ATOM 0 HE3 MET A 10 -4.204 3.156 -6.118 1.00 0.00 H new ATOM 165 N GLN A 11 -9.709 4.683 -5.712 1.00 0.00 N ATOM 166 CA GLN A 11 -10.877 3.942 -5.172 1.00 0.00 C ATOM 167 C GLN A 11 -10.655 2.461 -5.444 1.00 0.00 C ATOM 168 O GLN A 11 -10.546 2.018 -6.570 1.00 0.00 O ATOM 169 CB GLN A 11 -12.148 4.395 -5.867 1.00 0.00 C ATOM 170 CG GLN A 11 -12.027 5.839 -6.345 1.00 0.00 C ATOM 171 CD GLN A 11 -13.309 6.603 -5.986 1.00 0.00 C ATOM 172 OE1 GLN A 11 -14.459 5.979 -5.978 1.00 0.00 O flip ATOM 173 NE2 GLN A 11 -13.262 7.783 -5.701 1.00 0.00 N flip ATOM 0 H GLN A 11 -9.404 4.390 -6.640 1.00 0.00 H new ATOM 0 HA GLN A 11 -10.979 4.130 -4.103 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -12.354 3.743 -6.716 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -12.992 4.304 -5.184 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -11.164 6.316 -5.881 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -11.865 5.865 -7.423 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -12.368 8.274 -5.706 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -14.117 8.283 -5.457 1.00 0.00 H new ATOM 182 N CYS A 12 -10.559 1.719 -4.404 1.00 0.00 N ATOM 183 CA CYS A 12 -10.305 0.247 -4.524 1.00 0.00 C ATOM 184 C CYS A 12 -11.223 -0.565 -3.607 1.00 0.00 C ATOM 185 O CYS A 12 -12.281 -0.121 -3.207 1.00 0.00 O ATOM 186 CB CYS A 12 -8.852 0.076 -4.095 1.00 0.00 C ATOM 187 SG CYS A 12 -8.712 0.433 -2.334 1.00 0.00 S ATOM 0 H CYS A 12 -10.645 2.060 -3.446 1.00 0.00 H new ATOM 0 HA CYS A 12 -10.499 -0.111 -5.535 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -8.516 -0.940 -4.301 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -8.210 0.746 -4.667 1.00 0.00 H new ATOM 0 HG CYS A 12 -8.544 -0.677 -1.678 1.00 0.00 H new ATOM 193 N ALA A 13 -10.821 -1.772 -3.306 1.00 0.00 N ATOM 194 CA ALA A 13 -11.641 -2.668 -2.449 1.00 0.00 C ATOM 195 C ALA A 13 -11.351 -2.468 -0.960 1.00 0.00 C ATOM 196 O ALA A 13 -10.378 -2.976 -0.439 1.00 0.00 O ATOM 197 CB ALA A 13 -11.227 -4.081 -2.855 1.00 0.00 C ATOM 0 H ALA A 13 -9.942 -2.179 -3.626 1.00 0.00 H new ATOM 0 HA ALA A 13 -12.703 -2.467 -2.586 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -11.788 -4.808 -2.267 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -11.437 -4.231 -3.914 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -10.160 -4.214 -2.674 1.00 0.00 H new ATOM 203 N ALA A 14 -12.197 -1.759 -0.267 1.00 0.00 N ATOM 204 CA ALA A 14 -11.970 -1.565 1.194 1.00 0.00 C ATOM 205 C ALA A 14 -11.866 -2.919 1.892 1.00 0.00 C ATOM 206 O ALA A 14 -12.607 -3.841 1.607 1.00 0.00 O ATOM 207 CB ALA A 14 -13.196 -0.825 1.714 1.00 0.00 C ATOM 0 H ALA A 14 -13.030 -1.308 -0.644 1.00 0.00 H new ATOM 0 HA ALA A 14 -11.048 -1.014 1.382 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -13.090 -0.652 2.785 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -13.289 0.131 1.199 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -14.088 -1.424 1.530 1.00 0.00 H new ATOM 213 N GLY A 15 -10.954 -3.036 2.803 1.00 0.00 N ATOM 214 CA GLY A 15 -10.776 -4.309 3.542 1.00 0.00 C ATOM 215 C GLY A 15 -9.711 -5.149 2.842 1.00 0.00 C ATOM 216 O GLY A 15 -9.216 -6.121 3.374 1.00 0.00 O ATOM 0 H GLY A 15 -10.312 -2.291 3.073 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -10.479 -4.108 4.571 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -11.719 -4.855 3.583 1.00 0.00 H new ATOM 220 N GLN A 16 -9.350 -4.768 1.651 1.00 0.00 N ATOM 221 CA GLN A 16 -8.312 -5.523 0.899 1.00 0.00 C ATOM 222 C GLN A 16 -6.911 -5.109 1.379 1.00 0.00 C ATOM 223 O GLN A 16 -6.573 -3.953 1.346 1.00 0.00 O ATOM 224 CB GLN A 16 -8.556 -5.099 -0.547 1.00 0.00 C ATOM 225 CG GLN A 16 -7.774 -3.828 -0.878 1.00 0.00 C ATOM 226 CD GLN A 16 -8.119 -3.378 -2.292 1.00 0.00 C ATOM 227 OE1 GLN A 16 -8.611 -2.289 -2.489 1.00 0.00 O ATOM 228 NE2 GLN A 16 -7.890 -4.181 -3.292 1.00 0.00 N ATOM 0 H GLN A 16 -9.733 -3.959 1.162 1.00 0.00 H new ATOM 0 HA GLN A 16 -8.367 -6.603 1.032 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -8.257 -5.901 -1.222 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -9.621 -4.928 -0.706 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -8.018 -3.041 -0.164 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -6.703 -4.014 -0.794 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -7.476 -5.098 -3.125 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -8.125 -3.893 -4.242 1.00 0.00 H new ATOM 237 N THR A 17 -6.092 -6.021 1.834 1.00 0.00 N ATOM 238 CA THR A 17 -4.738 -5.601 2.306 1.00 0.00 C ATOM 239 C THR A 17 -4.028 -4.772 1.254 1.00 0.00 C ATOM 240 O THR A 17 -4.573 -4.391 0.244 1.00 0.00 O ATOM 241 CB THR A 17 -3.881 -6.854 2.484 1.00 0.00 C ATOM 242 OG1 THR A 17 -3.357 -7.239 1.220 1.00 0.00 O ATOM 243 CG2 THR A 17 -4.681 -8.012 3.044 1.00 0.00 C ATOM 0 H THR A 17 -6.295 -7.018 1.899 1.00 0.00 H new ATOM 0 HA THR A 17 -4.865 -5.030 3.226 1.00 0.00 H new ATOM 0 HB THR A 17 -3.084 -6.615 3.188 1.00 0.00 H new ATOM 0 HG1 THR A 17 -2.393 -7.396 1.300 1.00 0.00 H new ATOM 0 HG21 THR A 17 -4.033 -8.882 3.154 1.00 0.00 H new ATOM 0 HG22 THR A 17 -5.088 -7.736 4.017 1.00 0.00 H new ATOM 0 HG23 THR A 17 -5.498 -8.252 2.364 1.00 0.00 H new ATOM 251 N VAL A 18 -2.776 -4.563 1.498 1.00 0.00 N ATOM 252 CA VAL A 18 -1.897 -3.829 0.560 1.00 0.00 C ATOM 253 C VAL A 18 -1.581 -4.733 -0.594 1.00 0.00 C ATOM 254 O VAL A 18 -1.851 -4.438 -1.734 1.00 0.00 O ATOM 255 CB VAL A 18 -0.656 -3.664 1.352 1.00 0.00 C ATOM 256 CG1 VAL A 18 0.373 -2.913 0.543 1.00 0.00 C ATOM 257 CG2 VAL A 18 -0.988 -2.950 2.648 1.00 0.00 C ATOM 0 H VAL A 18 -2.305 -4.884 2.344 1.00 0.00 H new ATOM 0 HA VAL A 18 -2.325 -2.899 0.185 1.00 0.00 H new ATOM 0 HB VAL A 18 -0.231 -4.637 1.597 1.00 0.00 H new ATOM 0 HG11 VAL A 18 1.283 -2.795 1.131 1.00 0.00 H new ATOM 0 HG12 VAL A 18 0.598 -3.470 -0.366 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -0.018 -1.930 0.279 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -0.080 -2.824 3.237 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -1.414 -1.972 2.426 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -1.709 -3.540 3.214 1.00 0.00 H new ATOM 267 N HIS A 19 -1.071 -5.900 -0.284 1.00 0.00 N ATOM 268 CA HIS A 19 -0.818 -6.874 -1.355 1.00 0.00 C ATOM 269 C HIS A 19 -2.111 -6.941 -2.136 1.00 0.00 C ATOM 270 O HIS A 19 -2.148 -7.188 -3.327 1.00 0.00 O ATOM 271 CB HIS A 19 -0.572 -8.192 -0.631 1.00 0.00 C ATOM 272 CG HIS A 19 -0.131 -9.230 -1.632 1.00 0.00 C ATOM 273 ND1 HIS A 19 0.121 -10.548 -1.280 1.00 0.00 N ATOM 274 CD2 HIS A 19 0.097 -9.154 -2.985 1.00 0.00 C ATOM 275 CE1 HIS A 19 0.483 -11.204 -2.400 1.00 0.00 C ATOM 276 NE2 HIS A 19 0.485 -10.401 -3.468 1.00 0.00 N ATOM 0 H HIS A 19 -0.826 -6.205 0.658 1.00 0.00 H new ATOM 0 HA HIS A 19 0.015 -6.637 -2.016 1.00 0.00 H new ATOM 0 HB2 HIS A 19 0.190 -8.062 0.137 1.00 0.00 H new ATOM 0 HB3 HIS A 19 -1.481 -8.519 -0.126 1.00 0.00 H new ATOM 0 HD2 HIS A 19 -0.009 -8.261 -3.584 1.00 0.00 H new ATOM 0 HE1 HIS A 19 0.740 -12.252 -2.431 1.00 0.00 H new ATOM 0 HE2 HIS A 19 0.720 -10.648 -4.429 1.00 0.00 H new ATOM 284 N GLU A 20 -3.182 -6.648 -1.439 1.00 0.00 N ATOM 285 CA GLU A 20 -4.510 -6.623 -2.103 1.00 0.00 C ATOM 286 C GLU A 20 -4.697 -5.252 -2.753 1.00 0.00 C ATOM 287 O GLU A 20 -5.225 -5.129 -3.841 1.00 0.00 O ATOM 288 CB GLU A 20 -5.535 -6.864 -0.992 1.00 0.00 C ATOM 289 CG GLU A 20 -5.591 -8.359 -0.654 1.00 0.00 C ATOM 290 CD GLU A 20 -6.175 -9.135 -1.837 1.00 0.00 C ATOM 291 OE1 GLU A 20 -7.386 -9.278 -1.887 1.00 0.00 O ATOM 292 OE2 GLU A 20 -5.401 -9.574 -2.671 1.00 0.00 O ATOM 0 H GLU A 20 -3.188 -6.427 -0.443 1.00 0.00 H new ATOM 0 HA GLU A 20 -4.617 -7.377 -2.883 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -5.265 -6.291 -0.105 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -6.518 -6.516 -1.310 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -4.591 -8.727 -0.423 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -6.202 -8.518 0.235 1.00 0.00 H new ATOM 299 N LEU A 21 -4.245 -4.217 -2.091 1.00 0.00 N ATOM 300 CA LEU A 21 -4.369 -2.844 -2.659 1.00 0.00 C ATOM 301 C LEU A 21 -3.450 -2.720 -3.868 1.00 0.00 C ATOM 302 O LEU A 21 -3.881 -2.461 -4.968 1.00 0.00 O ATOM 303 CB LEU A 21 -3.885 -1.932 -1.524 1.00 0.00 C ATOM 304 CG LEU A 21 -4.431 -0.506 -1.665 1.00 0.00 C ATOM 305 CD1 LEU A 21 -3.619 0.262 -2.696 1.00 0.00 C ATOM 306 CD2 LEU A 21 -5.894 -0.526 -2.100 1.00 0.00 C ATOM 0 H LEU A 21 -3.794 -4.266 -1.178 1.00 0.00 H new ATOM 0 HA LEU A 21 -5.378 -2.597 -2.989 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -4.198 -2.347 -0.566 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -2.795 -1.905 -1.519 1.00 0.00 H new ATOM 0 HG LEU A 21 -4.355 -0.018 -0.694 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -4.014 1.274 -2.790 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -2.577 0.307 -2.379 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -3.683 -0.243 -3.660 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -6.260 0.497 -2.193 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -5.981 -1.032 -3.062 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -6.488 -1.057 -1.356 1.00 0.00 H new ATOM 318 N LEU A 22 -2.183 -2.922 -3.660 1.00 0.00 N ATOM 319 CA LEU A 22 -1.207 -2.831 -4.774 1.00 0.00 C ATOM 320 C LEU A 22 -1.655 -3.707 -5.928 1.00 0.00 C ATOM 321 O LEU A 22 -1.806 -3.260 -7.046 1.00 0.00 O ATOM 322 CB LEU A 22 0.084 -3.378 -4.172 1.00 0.00 C ATOM 323 CG LEU A 22 0.725 -2.294 -3.328 1.00 0.00 C ATOM 324 CD1 LEU A 22 1.956 -2.861 -2.629 1.00 0.00 C ATOM 325 CD2 LEU A 22 1.123 -1.145 -4.243 1.00 0.00 C ATOM 0 H LEU A 22 -1.777 -3.149 -2.752 1.00 0.00 H new ATOM 0 HA LEU A 22 -1.098 -1.819 -5.164 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -0.126 -4.257 -3.562 1.00 0.00 H new ATOM 0 HB3 LEU A 22 0.765 -3.694 -4.962 1.00 0.00 H new ATOM 0 HG LEU A 22 0.027 -1.935 -2.572 1.00 0.00 H new ATOM 0 HD11 LEU A 22 2.419 -2.084 -2.021 1.00 0.00 H new ATOM 0 HD12 LEU A 22 1.661 -3.693 -1.990 1.00 0.00 H new ATOM 0 HD13 LEU A 22 2.669 -3.211 -3.375 1.00 0.00 H new ATOM 0 HD21 LEU A 22 1.587 -0.354 -3.653 1.00 0.00 H new ATOM 0 HD22 LEU A 22 1.831 -1.503 -4.990 1.00 0.00 H new ATOM 0 HD23 LEU A 22 0.237 -0.753 -4.742 1.00 0.00 H new ATOM 337 N GLU A 23 -1.873 -4.954 -5.657 1.00 0.00 N ATOM 338 CA GLU A 23 -2.323 -5.867 -6.744 1.00 0.00 C ATOM 339 C GLU A 23 -3.618 -5.347 -7.362 1.00 0.00 C ATOM 340 O GLU A 23 -3.798 -5.385 -8.562 1.00 0.00 O ATOM 341 CB GLU A 23 -2.570 -7.223 -6.094 1.00 0.00 C ATOM 342 CG GLU A 23 -3.020 -8.208 -7.178 1.00 0.00 C ATOM 343 CD GLU A 23 -2.416 -9.591 -6.923 1.00 0.00 C ATOM 344 OE1 GLU A 23 -1.206 -9.675 -6.799 1.00 0.00 O ATOM 345 OE2 GLU A 23 -3.177 -10.544 -6.867 1.00 0.00 O ATOM 0 H GLU A 23 -1.762 -5.384 -4.739 1.00 0.00 H new ATOM 0 HA GLU A 23 -1.577 -5.934 -7.536 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -1.662 -7.582 -5.610 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -3.332 -7.138 -5.319 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -4.108 -8.275 -7.189 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -2.713 -7.845 -8.159 1.00 0.00 H new ATOM 352 N GLN A 24 -4.524 -4.848 -6.562 1.00 0.00 N ATOM 353 CA GLN A 24 -5.787 -4.323 -7.144 1.00 0.00 C ATOM 354 C GLN A 24 -5.448 -3.158 -8.058 1.00 0.00 C ATOM 355 O GLN A 24 -5.897 -3.077 -9.185 1.00 0.00 O ATOM 356 CB GLN A 24 -6.619 -3.842 -5.960 1.00 0.00 C ATOM 357 CG GLN A 24 -7.991 -3.393 -6.462 1.00 0.00 C ATOM 358 CD GLN A 24 -8.953 -4.578 -6.426 1.00 0.00 C ATOM 359 OE1 GLN A 24 -8.568 -5.677 -6.081 1.00 0.00 O ATOM 360 NE2 GLN A 24 -10.195 -4.402 -6.779 1.00 0.00 N ATOM 0 H GLN A 24 -4.444 -4.783 -5.547 1.00 0.00 H new ATOM 0 HA GLN A 24 -6.328 -5.071 -7.725 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -6.730 -4.642 -5.228 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -6.115 -3.017 -5.456 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -8.371 -2.582 -5.841 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -7.911 -3.006 -7.478 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -10.517 -3.478 -7.068 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -10.845 -5.188 -6.766 1.00 0.00 H new ATOM 369 N LEU A 25 -4.628 -2.270 -7.578 1.00 0.00 N ATOM 370 CA LEU A 25 -4.209 -1.113 -8.393 1.00 0.00 C ATOM 371 C LEU A 25 -3.433 -1.619 -9.600 1.00 0.00 C ATOM 372 O LEU A 25 -3.284 -0.915 -10.572 1.00 0.00 O ATOM 373 CB LEU A 25 -3.291 -0.322 -7.468 1.00 0.00 C ATOM 374 CG LEU A 25 -4.083 0.195 -6.275 1.00 0.00 C ATOM 375 CD1 LEU A 25 -3.207 1.153 -5.472 1.00 0.00 C ATOM 376 CD2 LEU A 25 -5.331 0.919 -6.767 1.00 0.00 C ATOM 0 H LEU A 25 -4.227 -2.302 -6.641 1.00 0.00 H new ATOM 0 HA LEU A 25 -5.041 -0.513 -8.760 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -2.472 -0.954 -7.126 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -2.845 0.512 -8.009 1.00 0.00 H new ATOM 0 HG LEU A 25 -4.384 -0.639 -5.641 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -3.768 1.528 -4.616 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -2.319 0.627 -5.122 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -2.908 1.989 -6.104 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -5.898 1.289 -5.913 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -5.040 1.757 -7.400 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -5.949 0.229 -7.341 1.00 0.00 H new ATOM 388 N ASP A 26 -2.924 -2.837 -9.497 1.00 0.00 N ATOM 389 CA ASP A 26 -2.107 -3.485 -10.578 1.00 0.00 C ATOM 390 C ASP A 26 -0.636 -3.236 -10.281 1.00 0.00 C ATOM 391 O ASP A 26 0.180 -3.082 -11.167 1.00 0.00 O ATOM 392 CB ASP A 26 -2.508 -2.854 -11.910 1.00 0.00 C ATOM 393 CG ASP A 26 -1.739 -3.529 -13.043 1.00 0.00 C ATOM 394 OD1 ASP A 26 -2.123 -4.618 -13.429 1.00 0.00 O ATOM 395 OD2 ASP A 26 -0.774 -2.942 -13.504 1.00 0.00 O ATOM 0 H ASP A 26 -3.051 -3.425 -8.673 1.00 0.00 H new ATOM 0 HA ASP A 26 -2.278 -4.560 -10.624 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -3.581 -2.963 -12.068 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -2.295 -1.785 -11.897 1.00 0.00 H new ATOM 400 N GLN A 27 -0.298 -3.192 -9.025 1.00 0.00 N ATOM 401 CA GLN A 27 1.114 -2.947 -8.644 1.00 0.00 C ATOM 402 C GLN A 27 1.604 -4.110 -7.782 1.00 0.00 C ATOM 403 O GLN A 27 0.852 -4.686 -7.023 1.00 0.00 O ATOM 404 CB GLN A 27 1.099 -1.648 -7.830 1.00 0.00 C ATOM 405 CG GLN A 27 0.086 -0.652 -8.419 1.00 0.00 C ATOM 406 CD GLN A 27 0.828 0.478 -9.135 1.00 0.00 C ATOM 407 OE1 GLN A 27 0.714 1.628 -8.760 1.00 0.00 O ATOM 408 NE2 GLN A 27 1.581 0.202 -10.167 1.00 0.00 N ATOM 0 H GLN A 27 -0.943 -3.316 -8.244 1.00 0.00 H new ATOM 0 HA GLN A 27 1.775 -2.866 -9.507 1.00 0.00 H new ATOM 0 HB2 GLN A 27 0.843 -1.865 -6.793 1.00 0.00 H new ATOM 0 HB3 GLN A 27 2.094 -1.203 -7.826 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -0.577 -1.163 -9.117 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -0.540 -0.243 -7.626 1.00 0.00 H new ATOM 0 HE21 GLN A 27 1.678 -0.763 -10.484 1.00 0.00 H new ATOM 0 HE22 GLN A 27 2.071 0.951 -10.656 1.00 0.00 H new ATOM 417 N ARG A 28 2.852 -4.464 -7.893 1.00 0.00 N ATOM 418 CA ARG A 28 3.374 -5.593 -7.073 1.00 0.00 C ATOM 419 C ARG A 28 4.409 -5.069 -6.072 1.00 0.00 C ATOM 420 O ARG A 28 4.074 -4.349 -5.151 1.00 0.00 O ATOM 421 CB ARG A 28 4.007 -6.563 -8.073 1.00 0.00 C ATOM 422 CG ARG A 28 2.928 -7.104 -9.011 1.00 0.00 C ATOM 423 CD ARG A 28 2.612 -6.056 -10.080 1.00 0.00 C ATOM 424 NE ARG A 28 2.536 -6.819 -11.357 1.00 0.00 N ATOM 425 CZ ARG A 28 1.635 -7.749 -11.513 1.00 0.00 C ATOM 426 NH1 ARG A 28 0.376 -7.427 -11.668 1.00 0.00 N ATOM 427 NH2 ARG A 28 1.996 -9.003 -11.523 1.00 0.00 N ATOM 0 H ARG A 28 3.532 -4.023 -8.513 1.00 0.00 H new ATOM 0 HA ARG A 28 2.594 -6.085 -6.492 1.00 0.00 H new ATOM 0 HB2 ARG A 28 4.782 -6.056 -8.647 1.00 0.00 H new ATOM 0 HB3 ARG A 28 4.489 -7.385 -7.544 1.00 0.00 H new ATOM 0 HG2 ARG A 28 3.268 -8.027 -9.480 1.00 0.00 H new ATOM 0 HG3 ARG A 28 2.028 -7.346 -8.446 1.00 0.00 H new ATOM 0 HD2 ARG A 28 1.672 -5.547 -9.868 1.00 0.00 H new ATOM 0 HD3 ARG A 28 3.387 -5.290 -10.123 1.00 0.00 H new ATOM 0 HE ARG A 28 3.191 -6.614 -12.112 1.00 0.00 H new ATOM 0 HH11 ARG A 28 0.097 -6.446 -11.667 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -0.326 -8.157 -11.790 1.00 0.00 H new ATOM 0 HH21 ARG A 28 2.979 -9.252 -11.409 1.00 0.00 H new ATOM 0 HH22 ARG A 28 1.296 -9.734 -11.645 1.00 0.00 H new ATOM 441 N GLN A 29 5.660 -5.407 -6.241 1.00 0.00 N ATOM 442 CA GLN A 29 6.699 -4.909 -5.296 1.00 0.00 C ATOM 443 C GLN A 29 8.065 -4.876 -5.986 1.00 0.00 C ATOM 444 O GLN A 29 8.568 -3.826 -6.335 1.00 0.00 O ATOM 445 CB GLN A 29 6.707 -5.906 -4.138 1.00 0.00 C ATOM 446 CG GLN A 29 5.297 -6.024 -3.560 1.00 0.00 C ATOM 447 CD GLN A 29 5.340 -6.797 -2.242 1.00 0.00 C ATOM 448 OE1 GLN A 29 6.104 -6.467 -1.355 1.00 0.00 O ATOM 449 NE2 GLN A 29 4.537 -7.809 -2.070 1.00 0.00 N ATOM 0 H GLN A 29 6.006 -6.005 -6.991 1.00 0.00 H new ATOM 0 HA GLN A 29 6.489 -3.896 -4.953 1.00 0.00 H new ATOM 0 HB2 GLN A 29 7.053 -6.880 -4.485 1.00 0.00 H new ATOM 0 HB3 GLN A 29 7.402 -5.577 -3.366 1.00 0.00 H new ATOM 0 HG2 GLN A 29 4.877 -5.032 -3.396 1.00 0.00 H new ATOM 0 HG3 GLN A 29 4.645 -6.533 -4.270 1.00 0.00 H new ATOM 0 HE21 GLN A 29 3.897 -8.084 -2.815 1.00 0.00 H new ATOM 0 HE22 GLN A 29 4.549 -8.326 -1.191 1.00 0.00 H new ATOM 458 N ALA A 30 8.673 -6.015 -6.184 1.00 0.00 N ATOM 459 CA ALA A 30 10.008 -6.039 -6.848 1.00 0.00 C ATOM 460 C ALA A 30 11.010 -5.274 -6.012 1.00 0.00 C ATOM 461 O ALA A 30 12.059 -4.879 -6.483 1.00 0.00 O ATOM 462 CB ALA A 30 9.811 -5.312 -8.161 1.00 0.00 C ATOM 0 H ALA A 30 8.304 -6.927 -5.915 1.00 0.00 H new ATOM 0 HA ALA A 30 10.376 -7.056 -6.981 1.00 0.00 H new ATOM 0 HB1 ALA A 30 10.753 -5.288 -8.709 1.00 0.00 H new ATOM 0 HB2 ALA A 30 9.059 -5.831 -8.755 1.00 0.00 H new ATOM 0 HB3 ALA A 30 9.479 -4.292 -7.966 1.00 0.00 H new ATOM 468 N GLY A 31 10.690 -5.035 -4.785 1.00 0.00 N ATOM 469 CA GLY A 31 11.619 -4.267 -3.939 1.00 0.00 C ATOM 470 C GLY A 31 10.966 -2.931 -3.596 1.00 0.00 C ATOM 471 O GLY A 31 11.495 -1.881 -3.891 1.00 0.00 O ATOM 0 H GLY A 31 9.828 -5.337 -4.332 1.00 0.00 H new ATOM 0 HA2 GLY A 31 11.850 -4.821 -3.029 1.00 0.00 H new ATOM 0 HA3 GLY A 31 12.562 -4.105 -4.461 1.00 0.00 H new ATOM 475 N ALA A 32 9.805 -2.953 -3.001 1.00 0.00 N ATOM 476 CA ALA A 32 9.127 -1.667 -2.679 1.00 0.00 C ATOM 477 C ALA A 32 8.600 -1.647 -1.250 1.00 0.00 C ATOM 478 O ALA A 32 8.124 -2.637 -0.732 1.00 0.00 O ATOM 479 CB ALA A 32 7.934 -1.595 -3.632 1.00 0.00 C ATOM 0 H ALA A 32 9.301 -3.796 -2.727 1.00 0.00 H new ATOM 0 HA ALA A 32 9.823 -0.834 -2.781 1.00 0.00 H new ATOM 0 HB1 ALA A 32 7.382 -0.672 -3.455 1.00 0.00 H new ATOM 0 HB2 ALA A 32 8.290 -1.614 -4.662 1.00 0.00 H new ATOM 0 HB3 ALA A 32 7.278 -2.448 -3.459 1.00 0.00 H new ATOM 485 N ALA A 33 8.629 -0.500 -0.641 1.00 0.00 N ATOM 486 CA ALA A 33 8.074 -0.353 0.726 1.00 0.00 C ATOM 487 C ALA A 33 7.040 0.773 0.659 1.00 0.00 C ATOM 488 O ALA A 33 7.021 1.523 -0.291 1.00 0.00 O ATOM 489 CB ALA A 33 9.259 0.003 1.620 1.00 0.00 C ATOM 0 H ALA A 33 9.020 0.354 -1.039 1.00 0.00 H new ATOM 0 HA ALA A 33 7.586 -1.246 1.116 1.00 0.00 H new ATOM 0 HB1 ALA A 33 8.916 0.126 2.647 1.00 0.00 H new ATOM 0 HB2 ALA A 33 9.999 -0.796 1.578 1.00 0.00 H new ATOM 0 HB3 ALA A 33 9.709 0.934 1.274 1.00 0.00 H new ATOM 495 N LEU A 34 6.150 0.877 1.606 1.00 0.00 N ATOM 496 CA LEU A 34 5.108 1.946 1.514 1.00 0.00 C ATOM 497 C LEU A 34 4.677 2.411 2.911 1.00 0.00 C ATOM 498 O LEU A 34 4.764 1.671 3.872 1.00 0.00 O ATOM 499 CB LEU A 34 3.961 1.272 0.741 1.00 0.00 C ATOM 500 CG LEU A 34 2.602 1.485 1.429 1.00 0.00 C ATOM 501 CD1 LEU A 34 1.474 1.065 0.484 1.00 0.00 C ATOM 502 CD2 LEU A 34 2.524 0.624 2.686 1.00 0.00 C ATOM 0 H LEU A 34 6.096 0.279 2.430 1.00 0.00 H new ATOM 0 HA LEU A 34 5.459 2.849 1.015 1.00 0.00 H new ATOM 0 HB2 LEU A 34 3.922 1.672 -0.272 1.00 0.00 H new ATOM 0 HB3 LEU A 34 4.160 0.204 0.654 1.00 0.00 H new ATOM 0 HG LEU A 34 2.499 2.539 1.689 1.00 0.00 H new ATOM 0 HD11 LEU A 34 0.513 1.217 0.975 1.00 0.00 H new ATOM 0 HD12 LEU A 34 1.517 1.666 -0.424 1.00 0.00 H new ATOM 0 HD13 LEU A 34 1.588 0.012 0.227 1.00 0.00 H new ATOM 0 HD21 LEU A 34 1.560 0.776 3.172 1.00 0.00 H new ATOM 0 HD22 LEU A 34 2.632 -0.426 2.415 1.00 0.00 H new ATOM 0 HD23 LEU A 34 3.324 0.906 3.370 1.00 0.00 H new ATOM 514 N ALA A 35 4.192 3.622 3.029 1.00 0.00 N ATOM 515 CA ALA A 35 3.733 4.102 4.366 1.00 0.00 C ATOM 516 C ALA A 35 2.244 4.427 4.301 1.00 0.00 C ATOM 517 O ALA A 35 1.824 5.297 3.565 1.00 0.00 O ATOM 518 CB ALA A 35 4.543 5.368 4.672 1.00 0.00 C ATOM 0 H ALA A 35 4.095 4.292 2.266 1.00 0.00 H new ATOM 0 HA ALA A 35 3.880 3.350 5.141 1.00 0.00 H new ATOM 0 HB1 ALA A 35 4.247 5.764 5.643 1.00 0.00 H new ATOM 0 HB2 ALA A 35 5.605 5.125 4.688 1.00 0.00 H new ATOM 0 HB3 ALA A 35 4.353 6.116 3.902 1.00 0.00 H new ATOM 524 N ILE A 36 1.432 3.746 5.059 1.00 0.00 N ATOM 525 CA ILE A 36 -0.024 4.058 5.005 1.00 0.00 C ATOM 526 C ILE A 36 -0.424 4.845 6.254 1.00 0.00 C ATOM 527 O ILE A 36 -0.017 4.528 7.350 1.00 0.00 O ATOM 528 CB ILE A 36 -0.755 2.712 4.950 1.00 0.00 C ATOM 529 CG1 ILE A 36 -0.261 1.922 3.735 1.00 0.00 C ATOM 530 CG2 ILE A 36 -2.265 2.965 4.812 1.00 0.00 C ATOM 531 CD1 ILE A 36 -1.102 0.655 3.564 1.00 0.00 C ATOM 0 H ILE A 36 1.704 3.002 5.701 1.00 0.00 H new ATOM 0 HA ILE A 36 -0.278 4.667 4.137 1.00 0.00 H new ATOM 0 HB ILE A 36 -0.559 2.146 5.861 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -0.328 2.538 2.838 1.00 0.00 H new ATOM 0 HG13 ILE A 36 0.789 1.658 3.863 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -2.792 2.011 4.772 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -2.618 3.539 5.669 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -2.458 3.524 3.897 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -0.747 0.096 2.698 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -1.013 0.036 4.457 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -2.146 0.929 3.415 1.00 0.00 H new ATOM 543 N ASN A 37 -1.200 5.879 6.102 1.00 0.00 N ATOM 544 CA ASN A 37 -1.593 6.682 7.294 1.00 0.00 C ATOM 545 C ASN A 37 -0.329 7.164 8.016 1.00 0.00 C ATOM 546 O ASN A 37 -0.356 7.480 9.183 1.00 0.00 O ATOM 547 CB ASN A 37 -2.403 5.728 8.179 1.00 0.00 C ATOM 548 CG ASN A 37 -3.809 5.547 7.599 1.00 0.00 C ATOM 549 OD1 ASN A 37 -4.291 6.385 6.863 1.00 0.00 O ATOM 550 ND2 ASN A 37 -4.494 4.477 7.902 1.00 0.00 N ATOM 0 H ASN A 37 -1.578 6.203 5.211 1.00 0.00 H new ATOM 0 HA ASN A 37 -2.177 7.565 7.035 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -1.900 4.763 8.244 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -2.466 6.124 9.193 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -5.431 4.347 7.521 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -4.092 3.772 8.520 1.00 0.00 H new ATOM 557 N GLN A 38 0.766 7.227 7.300 1.00 0.00 N ATOM 558 CA GLN A 38 2.070 7.695 7.874 1.00 0.00 C ATOM 559 C GLN A 38 2.785 6.563 8.617 1.00 0.00 C ATOM 560 O GLN A 38 3.872 6.746 9.127 1.00 0.00 O ATOM 561 CB GLN A 38 1.750 8.882 8.806 1.00 0.00 C ATOM 562 CG GLN A 38 1.677 8.437 10.274 1.00 0.00 C ATOM 563 CD GLN A 38 3.049 8.629 10.923 1.00 0.00 C ATOM 564 OE1 GLN A 38 3.829 9.453 10.488 1.00 0.00 O ATOM 565 NE2 GLN A 38 3.378 7.902 11.955 1.00 0.00 N ATOM 0 H GLN A 38 0.813 6.967 6.315 1.00 0.00 H new ATOM 0 HA GLN A 38 2.752 8.010 7.084 1.00 0.00 H new ATOM 0 HB2 GLN A 38 2.515 9.651 8.695 1.00 0.00 H new ATOM 0 HB3 GLN A 38 0.801 9.332 8.513 1.00 0.00 H new ATOM 0 HG2 GLN A 38 0.924 9.018 10.806 1.00 0.00 H new ATOM 0 HG3 GLN A 38 1.375 7.392 10.336 1.00 0.00 H new ATOM 0 HE21 GLN A 38 2.724 7.210 12.321 1.00 0.00 H new ATOM 0 HE22 GLN A 38 4.289 8.025 12.396 1.00 0.00 H new ATOM 574 N GLN A 39 2.221 5.388 8.662 1.00 0.00 N ATOM 575 CA GLN A 39 2.944 4.283 9.349 1.00 0.00 C ATOM 576 C GLN A 39 3.676 3.444 8.299 1.00 0.00 C ATOM 577 O GLN A 39 3.074 2.746 7.507 1.00 0.00 O ATOM 578 CB GLN A 39 1.896 3.452 10.108 1.00 0.00 C ATOM 579 CG GLN A 39 0.825 2.918 9.164 1.00 0.00 C ATOM 580 CD GLN A 39 0.556 1.449 9.503 1.00 0.00 C ATOM 581 OE1 GLN A 39 1.563 0.648 9.739 1.00 0.00 O flip ATOM 582 NE2 GLN A 39 -0.581 1.025 9.560 1.00 0.00 N flip ATOM 0 H GLN A 39 1.313 5.148 8.263 1.00 0.00 H new ATOM 0 HA GLN A 39 3.687 4.656 10.054 1.00 0.00 H new ATOM 0 HB2 GLN A 39 2.385 2.620 10.614 1.00 0.00 H new ATOM 0 HB3 GLN A 39 1.431 4.066 10.879 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -0.090 3.502 9.263 1.00 0.00 H new ATOM 0 HG3 GLN A 39 1.153 3.012 8.129 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -1.367 1.648 9.376 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -0.749 0.046 9.792 1.00 0.00 H new ATOM 591 N ILE A 40 4.978 3.520 8.267 1.00 0.00 N ATOM 592 CA ILE A 40 5.725 2.736 7.243 1.00 0.00 C ATOM 593 C ILE A 40 5.696 1.258 7.613 1.00 0.00 C ATOM 594 O ILE A 40 6.254 0.839 8.608 1.00 0.00 O ATOM 595 CB ILE A 40 7.167 3.259 7.274 1.00 0.00 C ATOM 596 CG1 ILE A 40 7.269 4.557 6.464 1.00 0.00 C ATOM 597 CG2 ILE A 40 8.112 2.206 6.665 1.00 0.00 C ATOM 598 CD1 ILE A 40 6.898 5.750 7.347 1.00 0.00 C ATOM 0 H ILE A 40 5.551 4.083 8.896 1.00 0.00 H new ATOM 0 HA ILE A 40 5.287 2.844 6.251 1.00 0.00 H new ATOM 0 HB ILE A 40 7.452 3.454 8.308 1.00 0.00 H new ATOM 0 HG12 ILE A 40 8.282 4.678 6.080 1.00 0.00 H new ATOM 0 HG13 ILE A 40 6.605 4.511 5.601 1.00 0.00 H new ATOM 0 HG21 ILE A 40 9.136 2.579 6.688 1.00 0.00 H new ATOM 0 HG22 ILE A 40 8.049 1.284 7.242 1.00 0.00 H new ATOM 0 HG23 ILE A 40 7.821 2.009 5.633 1.00 0.00 H new ATOM 0 HD11 ILE A 40 6.972 6.669 6.766 1.00 0.00 H new ATOM 0 HD12 ILE A 40 5.877 5.631 7.709 1.00 0.00 H new ATOM 0 HD13 ILE A 40 7.580 5.801 8.196 1.00 0.00 H new ATOM 610 N VAL A 41 5.041 0.468 6.814 1.00 0.00 N ATOM 611 CA VAL A 41 4.961 -0.984 7.107 1.00 0.00 C ATOM 612 C VAL A 41 5.887 -1.759 6.214 1.00 0.00 C ATOM 613 O VAL A 41 6.098 -1.406 5.071 1.00 0.00 O ATOM 614 CB VAL A 41 3.549 -1.387 6.758 1.00 0.00 C ATOM 615 CG1 VAL A 41 3.354 -2.869 7.081 1.00 0.00 C ATOM 616 CG2 VAL A 41 2.579 -0.538 7.569 1.00 0.00 C ATOM 0 H VAL A 41 4.556 0.767 5.968 1.00 0.00 H new ATOM 0 HA VAL A 41 5.230 -1.182 8.145 1.00 0.00 H new ATOM 0 HB VAL A 41 3.363 -1.229 5.696 1.00 0.00 H new ATOM 0 HG11 VAL A 41 2.335 -3.165 6.831 1.00 0.00 H new ATOM 0 HG12 VAL A 41 4.058 -3.464 6.499 1.00 0.00 H new ATOM 0 HG13 VAL A 41 3.529 -3.036 8.144 1.00 0.00 H new ATOM 0 HG21 VAL A 41 1.555 -0.821 7.324 1.00 0.00 H new ATOM 0 HG22 VAL A 41 2.756 -0.699 8.632 1.00 0.00 H new ATOM 0 HG23 VAL A 41 2.731 0.515 7.332 1.00 0.00 H new ATOM 626 N PRO A 42 6.379 -2.822 6.746 1.00 0.00 N ATOM 627 CA PRO A 42 7.247 -3.680 5.958 1.00 0.00 C ATOM 628 C PRO A 42 6.452 -4.497 4.954 1.00 0.00 C ATOM 629 O PRO A 42 5.562 -5.254 5.288 1.00 0.00 O ATOM 630 CB PRO A 42 7.891 -4.579 6.966 1.00 0.00 C ATOM 631 CG PRO A 42 6.968 -4.602 8.139 1.00 0.00 C ATOM 632 CD PRO A 42 6.194 -3.314 8.116 1.00 0.00 C ATOM 0 HA PRO A 42 7.969 -3.107 5.377 1.00 0.00 H new ATOM 0 HB2 PRO A 42 8.034 -5.581 6.561 1.00 0.00 H new ATOM 0 HB3 PRO A 42 8.875 -4.206 7.250 1.00 0.00 H new ATOM 0 HG2 PRO A 42 6.295 -5.457 8.083 1.00 0.00 H new ATOM 0 HG3 PRO A 42 7.529 -4.698 9.069 1.00 0.00 H new ATOM 0 HD2 PRO A 42 5.141 -3.476 8.345 1.00 0.00 H new ATOM 0 HD3 PRO A 42 6.575 -2.605 8.851 1.00 0.00 H new ATOM 640 N ARG A 43 6.818 -4.332 3.738 1.00 0.00 N ATOM 641 CA ARG A 43 6.182 -5.059 2.588 1.00 0.00 C ATOM 642 C ARG A 43 5.455 -6.333 3.006 1.00 0.00 C ATOM 643 O ARG A 43 4.276 -6.500 2.763 1.00 0.00 O ATOM 644 CB ARG A 43 7.345 -5.445 1.668 1.00 0.00 C ATOM 645 CG ARG A 43 8.570 -5.868 2.489 1.00 0.00 C ATOM 646 CD ARG A 43 8.877 -7.344 2.236 1.00 0.00 C ATOM 647 NE ARG A 43 10.327 -7.380 1.908 1.00 0.00 N ATOM 648 CZ ARG A 43 10.747 -8.085 0.897 1.00 0.00 C ATOM 649 NH1 ARG A 43 10.725 -9.389 0.959 1.00 0.00 N ATOM 650 NH2 ARG A 43 11.177 -7.485 -0.177 1.00 0.00 N ATOM 0 H ARG A 43 7.566 -3.697 3.460 1.00 0.00 H new ATOM 0 HA ARG A 43 5.433 -4.419 2.122 1.00 0.00 H new ATOM 0 HB2 ARG A 43 7.041 -6.261 1.013 1.00 0.00 H new ATOM 0 HB3 ARG A 43 7.604 -4.602 1.028 1.00 0.00 H new ATOM 0 HG2 ARG A 43 9.430 -5.256 2.218 1.00 0.00 H new ATOM 0 HG3 ARG A 43 8.383 -5.702 3.550 1.00 0.00 H new ATOM 0 HD2 ARG A 43 8.655 -7.950 3.114 1.00 0.00 H new ATOM 0 HD3 ARG A 43 8.276 -7.738 1.416 1.00 0.00 H new ATOM 0 HE ARG A 43 10.992 -6.853 2.474 1.00 0.00 H new ATOM 0 HH11 ARG A 43 10.379 -9.854 1.798 1.00 0.00 H new ATOM 0 HH12 ARG A 43 11.054 -9.943 0.168 1.00 0.00 H new ATOM 0 HH21 ARG A 43 11.184 -6.466 -0.224 1.00 0.00 H new ATOM 0 HH22 ARG A 43 11.507 -8.034 -0.971 1.00 0.00 H new ATOM 664 N GLU A 44 6.162 -7.242 3.594 1.00 0.00 N ATOM 665 CA GLU A 44 5.554 -8.527 3.998 1.00 0.00 C ATOM 666 C GLU A 44 4.144 -8.326 4.555 1.00 0.00 C ATOM 667 O GLU A 44 3.219 -9.027 4.195 1.00 0.00 O ATOM 668 CB GLU A 44 6.512 -9.030 5.065 1.00 0.00 C ATOM 669 CG GLU A 44 5.958 -10.298 5.719 1.00 0.00 C ATOM 670 CD GLU A 44 5.473 -9.979 7.135 1.00 0.00 C ATOM 671 OE1 GLU A 44 6.210 -9.334 7.862 1.00 0.00 O ATOM 672 OE2 GLU A 44 4.373 -10.389 7.470 1.00 0.00 O ATOM 0 H GLU A 44 7.153 -7.148 3.816 1.00 0.00 H new ATOM 0 HA GLU A 44 5.429 -9.226 3.171 1.00 0.00 H new ATOM 0 HB2 GLU A 44 7.486 -9.237 4.621 1.00 0.00 H new ATOM 0 HB3 GLU A 44 6.663 -8.259 5.820 1.00 0.00 H new ATOM 0 HG2 GLU A 44 5.136 -10.696 5.124 1.00 0.00 H new ATOM 0 HG3 GLU A 44 6.729 -11.068 5.753 1.00 0.00 H new ATOM 679 N GLN A 45 3.976 -7.378 5.428 1.00 0.00 N ATOM 680 CA GLN A 45 2.628 -7.130 6.017 1.00 0.00 C ATOM 681 C GLN A 45 1.601 -6.775 4.940 1.00 0.00 C ATOM 682 O GLN A 45 0.435 -7.078 5.081 1.00 0.00 O ATOM 683 CB GLN A 45 2.817 -5.956 6.982 1.00 0.00 C ATOM 684 CG GLN A 45 3.579 -6.413 8.226 1.00 0.00 C ATOM 685 CD GLN A 45 3.111 -5.587 9.424 1.00 0.00 C ATOM 686 OE1 GLN A 45 2.076 -4.954 9.370 1.00 0.00 O ATOM 687 NE2 GLN A 45 3.834 -5.558 10.508 1.00 0.00 N ATOM 0 H GLN A 45 4.715 -6.760 5.763 1.00 0.00 H new ATOM 0 HA GLN A 45 2.248 -8.020 6.518 1.00 0.00 H new ATOM 0 HB2 GLN A 45 3.363 -5.153 6.487 1.00 0.00 H new ATOM 0 HB3 GLN A 45 1.846 -5.552 7.269 1.00 0.00 H new ATOM 0 HG2 GLN A 45 3.403 -7.473 8.407 1.00 0.00 H new ATOM 0 HG3 GLN A 45 4.652 -6.288 8.078 1.00 0.00 H new ATOM 0 HE21 GLN A 45 4.704 -6.089 10.555 1.00 0.00 H new ATOM 0 HE22 GLN A 45 3.530 -5.004 11.309 1.00 0.00 H new ATOM 696 N TRP A 46 2.006 -6.127 3.879 1.00 0.00 N ATOM 697 CA TRP A 46 1.032 -5.764 2.824 1.00 0.00 C ATOM 698 C TRP A 46 0.041 -6.901 2.596 1.00 0.00 C ATOM 699 O TRP A 46 -1.109 -6.686 2.270 1.00 0.00 O ATOM 700 CB TRP A 46 1.867 -5.570 1.555 1.00 0.00 C ATOM 701 CG TRP A 46 2.773 -4.385 1.681 1.00 0.00 C ATOM 702 CD1 TRP A 46 2.980 -3.663 2.809 1.00 0.00 C ATOM 703 CD2 TRP A 46 3.606 -3.778 0.649 1.00 0.00 C ATOM 704 NE1 TRP A 46 3.892 -2.658 2.532 1.00 0.00 N ATOM 705 CE2 TRP A 46 4.305 -2.687 1.213 1.00 0.00 C ATOM 706 CE3 TRP A 46 3.821 -4.069 -0.710 1.00 0.00 C ATOM 707 CZ2 TRP A 46 5.187 -1.914 0.453 1.00 0.00 C ATOM 708 CZ3 TRP A 46 4.708 -3.289 -1.474 1.00 0.00 C ATOM 709 CH2 TRP A 46 5.389 -2.215 -0.890 1.00 0.00 C ATOM 0 H TRP A 46 2.968 -5.837 3.703 1.00 0.00 H new ATOM 0 HA TRP A 46 0.463 -4.875 3.097 1.00 0.00 H new ATOM 0 HB2 TRP A 46 2.459 -6.465 1.365 1.00 0.00 H new ATOM 0 HB3 TRP A 46 1.206 -5.437 0.698 1.00 0.00 H new ATOM 0 HD1 TRP A 46 2.511 -3.842 3.766 1.00 0.00 H new ATOM 0 HE1 TRP A 46 4.219 -1.978 3.219 1.00 0.00 H new ATOM 0 HE3 TRP A 46 3.302 -4.897 -1.170 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 5.710 -1.085 0.907 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 4.864 -3.520 -2.517 1.00 0.00 H new ATOM 0 HH2 TRP A 46 6.070 -1.621 -1.481 1.00 0.00 H new ATOM 720 N ALA A 47 0.488 -8.105 2.742 1.00 0.00 N ATOM 721 CA ALA A 47 -0.403 -9.268 2.510 1.00 0.00 C ATOM 722 C ALA A 47 -1.369 -9.479 3.678 1.00 0.00 C ATOM 723 O ALA A 47 -2.396 -10.116 3.540 1.00 0.00 O ATOM 724 CB ALA A 47 0.567 -10.423 2.400 1.00 0.00 C ATOM 0 H ALA A 47 1.442 -8.340 3.015 1.00 0.00 H new ATOM 0 HA ALA A 47 -1.037 -9.146 1.632 1.00 0.00 H new ATOM 0 HB1 ALA A 47 0.015 -11.347 2.226 1.00 0.00 H new ATOM 0 HB2 ALA A 47 1.250 -10.247 1.569 1.00 0.00 H new ATOM 0 HB3 ALA A 47 1.136 -10.510 3.326 1.00 0.00 H new ATOM 730 N GLN A 48 -1.064 -8.938 4.818 1.00 0.00 N ATOM 731 CA GLN A 48 -1.978 -9.091 5.980 1.00 0.00 C ATOM 732 C GLN A 48 -2.339 -7.703 6.499 1.00 0.00 C ATOM 733 O GLN A 48 -2.922 -7.546 7.552 1.00 0.00 O ATOM 734 CB GLN A 48 -1.187 -9.880 7.024 1.00 0.00 C ATOM 735 CG GLN A 48 -1.014 -11.322 6.546 1.00 0.00 C ATOM 736 CD GLN A 48 -0.034 -12.051 7.467 1.00 0.00 C ATOM 737 OE1 GLN A 48 -0.168 -12.005 8.673 1.00 0.00 O ATOM 738 NE2 GLN A 48 0.957 -12.727 6.947 1.00 0.00 N ATOM 0 H GLN A 48 -0.220 -8.395 4.998 1.00 0.00 H new ATOM 0 HA GLN A 48 -2.906 -9.606 5.730 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -0.212 -9.419 7.183 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -1.708 -9.862 7.981 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -1.977 -11.834 6.544 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -0.644 -11.335 5.521 1.00 0.00 H new ATOM 0 HE21 GLN A 48 1.071 -12.767 5.934 1.00 0.00 H new ATOM 0 HE22 GLN A 48 1.616 -13.215 7.554 1.00 0.00 H new ATOM 747 N HIS A 49 -1.987 -6.695 5.752 1.00 0.00 N ATOM 748 CA HIS A 49 -2.288 -5.304 6.165 1.00 0.00 C ATOM 749 C HIS A 49 -3.594 -4.855 5.516 1.00 0.00 C ATOM 750 O HIS A 49 -3.596 -4.096 4.570 1.00 0.00 O ATOM 751 CB HIS A 49 -1.106 -4.508 5.625 1.00 0.00 C ATOM 752 CG HIS A 49 -1.237 -3.057 6.020 1.00 0.00 C ATOM 753 ND1 HIS A 49 -2.286 -2.334 6.534 1.00 0.00 N flip ATOM 754 CD2 HIS A 49 -0.185 -2.160 5.899 1.00 0.00 C flip ATOM 755 CE1 HIS A 49 -1.893 -1.013 6.729 1.00 0.00 C flip ATOM 756 NE2 HIS A 49 -0.620 -0.962 6.330 1.00 0.00 N flip ATOM 0 H HIS A 49 -1.497 -6.781 4.862 1.00 0.00 H new ATOM 0 HA HIS A 49 -2.413 -5.180 7.241 1.00 0.00 H new ATOM 0 HB2 HIS A 49 -0.174 -4.917 6.014 1.00 0.00 H new ATOM 0 HB3 HIS A 49 -1.064 -4.595 4.539 1.00 0.00 H new ATOM 0 HD2 HIS A 49 0.804 -2.383 5.526 1.00 0.00 H new ATOM 0 HE1 HIS A 49 -2.490 -0.202 7.120 1.00 0.00 H new ATOM 0 HE2 HIS A 49 -0.047 -0.118 6.350 1.00 0.00 H new ATOM 764 N ILE A 50 -4.702 -5.338 6.006 1.00 0.00 N ATOM 765 CA ILE A 50 -6.007 -4.971 5.402 1.00 0.00 C ATOM 766 C ILE A 50 -6.142 -3.455 5.277 1.00 0.00 C ATOM 767 O ILE A 50 -5.936 -2.704 6.207 1.00 0.00 O ATOM 768 CB ILE A 50 -7.068 -5.520 6.350 1.00 0.00 C ATOM 769 CG1 ILE A 50 -6.988 -7.052 6.373 1.00 0.00 C ATOM 770 CG2 ILE A 50 -8.444 -5.072 5.853 1.00 0.00 C ATOM 771 CD1 ILE A 50 -7.518 -7.615 5.055 1.00 0.00 C ATOM 0 H ILE A 50 -4.757 -5.973 6.802 1.00 0.00 H new ATOM 0 HA ILE A 50 -6.108 -5.380 4.397 1.00 0.00 H new ATOM 0 HB ILE A 50 -6.904 -5.145 7.360 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -5.957 -7.370 6.527 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -7.570 -7.444 7.207 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -9.215 -5.457 6.521 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -8.488 -3.983 5.837 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -8.610 -5.457 4.847 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -7.460 -8.703 5.075 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -8.556 -7.310 4.920 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -6.917 -7.234 4.229 1.00 0.00 H new ATOM 783 N VAL A 51 -6.472 -3.031 4.100 1.00 0.00 N ATOM 784 CA VAL A 51 -6.626 -1.581 3.786 1.00 0.00 C ATOM 785 C VAL A 51 -8.070 -1.124 4.041 1.00 0.00 C ATOM 786 O VAL A 51 -9.000 -1.890 3.906 1.00 0.00 O ATOM 787 CB VAL A 51 -6.294 -1.528 2.302 1.00 0.00 C ATOM 788 CG1 VAL A 51 -6.234 -0.092 1.844 1.00 0.00 C ATOM 789 CG2 VAL A 51 -4.936 -2.194 2.054 1.00 0.00 C ATOM 0 H VAL A 51 -6.650 -3.649 3.308 1.00 0.00 H new ATOM 0 HA VAL A 51 -5.997 -0.931 4.394 1.00 0.00 H new ATOM 0 HB VAL A 51 -7.068 -2.056 1.744 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -5.996 -0.059 0.781 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -7.199 0.385 2.015 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -5.463 0.437 2.405 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -4.700 -2.155 0.990 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -4.165 -1.668 2.616 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -4.976 -3.234 2.379 1.00 0.00 H new ATOM 799 N GLN A 52 -8.266 0.109 4.433 1.00 0.00 N ATOM 800 CA GLN A 52 -9.658 0.586 4.715 1.00 0.00 C ATOM 801 C GLN A 52 -10.057 1.768 3.832 1.00 0.00 C ATOM 802 O GLN A 52 -9.234 2.583 3.464 1.00 0.00 O ATOM 803 CB GLN A 52 -9.612 1.077 6.146 1.00 0.00 C ATOM 804 CG GLN A 52 -9.253 -0.083 7.078 1.00 0.00 C ATOM 805 CD GLN A 52 -10.534 -0.684 7.664 1.00 0.00 C ATOM 806 OE1 GLN A 52 -11.247 -0.027 8.394 1.00 0.00 O ATOM 807 NE2 GLN A 52 -10.859 -1.916 7.373 1.00 0.00 N ATOM 0 H GLN A 52 -7.531 0.803 4.570 1.00 0.00 H new ATOM 0 HA GLN A 52 -10.375 -0.214 4.531 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -8.876 1.875 6.243 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -10.578 1.497 6.428 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -8.699 -0.845 6.530 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -8.604 0.269 7.880 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -10.261 -2.470 6.760 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -11.711 -2.324 7.759 1.00 0.00 H new ATOM 816 N ASP A 53 -11.325 1.899 3.529 1.00 0.00 N ATOM 817 CA ASP A 53 -11.764 3.058 2.721 1.00 0.00 C ATOM 818 C ASP A 53 -11.170 4.325 3.314 1.00 0.00 C ATOM 819 O ASP A 53 -11.474 4.737 4.417 1.00 0.00 O ATOM 820 CB ASP A 53 -13.275 3.059 2.805 1.00 0.00 C ATOM 821 CG ASP A 53 -13.723 3.299 4.247 1.00 0.00 C ATOM 822 OD1 ASP A 53 -13.809 4.452 4.638 1.00 0.00 O ATOM 823 OD2 ASP A 53 -13.975 2.324 4.936 1.00 0.00 O ATOM 0 H ASP A 53 -12.064 1.254 3.808 1.00 0.00 H new ATOM 0 HA ASP A 53 -11.438 3.005 1.682 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -13.682 3.834 2.156 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -13.667 2.107 2.448 1.00 0.00 H new ATOM 828 N GLY A 54 -10.279 4.895 2.591 1.00 0.00 N ATOM 829 CA GLY A 54 -9.558 6.103 3.050 1.00 0.00 C ATOM 830 C GLY A 54 -8.092 5.703 3.174 1.00 0.00 C ATOM 831 O GLY A 54 -7.283 6.397 3.756 1.00 0.00 O ATOM 0 H GLY A 54 -10.004 4.568 1.665 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -9.679 6.922 2.341 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -9.949 6.450 4.007 1.00 0.00 H new ATOM 835 N ASP A 55 -7.764 4.552 2.637 1.00 0.00 N ATOM 836 CA ASP A 55 -6.372 4.036 2.714 1.00 0.00 C ATOM 837 C ASP A 55 -5.339 5.029 2.190 1.00 0.00 C ATOM 838 O ASP A 55 -5.242 5.263 1.010 1.00 0.00 O ATOM 839 CB ASP A 55 -6.363 2.822 1.804 1.00 0.00 C ATOM 840 CG ASP A 55 -4.927 2.298 1.701 1.00 0.00 C ATOM 841 OD1 ASP A 55 -4.372 1.941 2.726 1.00 0.00 O ATOM 842 OD2 ASP A 55 -4.409 2.259 0.597 1.00 0.00 O ATOM 0 H ASP A 55 -8.416 3.944 2.142 1.00 0.00 H new ATOM 0 HA ASP A 55 -6.108 3.830 3.751 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -7.021 2.048 2.200 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -6.741 3.087 0.816 1.00 0.00 H new ATOM 847 N GLN A 56 -4.525 5.560 3.048 1.00 0.00 N ATOM 848 CA GLN A 56 -3.452 6.483 2.583 1.00 0.00 C ATOM 849 C GLN A 56 -2.183 5.667 2.352 1.00 0.00 C ATOM 850 O GLN A 56 -1.934 4.708 3.038 1.00 0.00 O ATOM 851 CB GLN A 56 -3.268 7.474 3.725 1.00 0.00 C ATOM 852 CG GLN A 56 -1.957 8.217 3.530 1.00 0.00 C ATOM 853 CD GLN A 56 -2.220 9.725 3.515 1.00 0.00 C ATOM 854 OE1 GLN A 56 -3.101 10.215 2.685 1.00 0.00 O flip ATOM 855 NE2 GLN A 56 -1.616 10.467 4.264 1.00 0.00 N flip ATOM 0 H GLN A 56 -4.552 5.397 4.055 1.00 0.00 H new ATOM 0 HA GLN A 56 -3.689 6.998 1.652 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -4.100 8.178 3.750 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -3.265 6.950 4.681 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -1.262 7.967 4.332 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -1.489 7.910 2.595 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -0.927 10.086 4.913 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -1.798 11.471 4.244 1.00 0.00 H new ATOM 864 N ILE A 57 -1.399 5.997 1.369 1.00 0.00 N ATOM 865 CA ILE A 57 -0.185 5.175 1.113 1.00 0.00 C ATOM 866 C ILE A 57 1.036 6.014 0.721 1.00 0.00 C ATOM 867 O ILE A 57 0.932 7.017 0.039 1.00 0.00 O ATOM 868 CB ILE A 57 -0.564 4.296 -0.062 1.00 0.00 C ATOM 869 CG1 ILE A 57 -1.633 3.286 0.339 1.00 0.00 C ATOM 870 CG2 ILE A 57 0.671 3.551 -0.558 1.00 0.00 C ATOM 871 CD1 ILE A 57 -2.081 2.560 -0.921 1.00 0.00 C ATOM 0 H ILE A 57 -1.541 6.787 0.739 1.00 0.00 H new ATOM 0 HA ILE A 57 0.097 4.630 2.014 1.00 0.00 H new ATOM 0 HB ILE A 57 -0.962 4.930 -0.854 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -1.236 2.579 1.067 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -2.477 3.790 0.811 1.00 0.00 H new ATOM 0 HG21 ILE A 57 0.399 2.918 -1.403 1.00 0.00 H new ATOM 0 HG22 ILE A 57 1.428 4.270 -0.871 1.00 0.00 H new ATOM 0 HG23 ILE A 57 1.069 2.932 0.246 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -2.848 1.828 -0.666 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -2.488 3.280 -1.631 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -1.228 2.050 -1.370 1.00 0.00 H new ATOM 883 N LEU A 58 2.198 5.551 1.089 1.00 0.00 N ATOM 884 CA LEU A 58 3.459 6.234 0.686 1.00 0.00 C ATOM 885 C LEU A 58 4.263 5.231 -0.148 1.00 0.00 C ATOM 886 O LEU A 58 4.194 4.047 0.090 1.00 0.00 O ATOM 887 CB LEU A 58 4.167 6.606 1.983 1.00 0.00 C ATOM 888 CG LEU A 58 4.463 8.112 1.983 1.00 0.00 C ATOM 889 CD1 LEU A 58 3.257 8.880 2.534 1.00 0.00 C ATOM 890 CD2 LEU A 58 5.676 8.388 2.869 1.00 0.00 C ATOM 0 H LEU A 58 2.329 4.716 1.660 1.00 0.00 H new ATOM 0 HA LEU A 58 3.311 7.133 0.088 1.00 0.00 H new ATOM 0 HB2 LEU A 58 3.544 6.346 2.839 1.00 0.00 H new ATOM 0 HB3 LEU A 58 5.094 6.041 2.080 1.00 0.00 H new ATOM 0 HG LEU A 58 4.665 8.437 0.962 1.00 0.00 H new ATOM 0 HD11 LEU A 58 3.474 9.948 2.531 1.00 0.00 H new ATOM 0 HD12 LEU A 58 2.385 8.685 1.909 1.00 0.00 H new ATOM 0 HD13 LEU A 58 3.053 8.554 3.554 1.00 0.00 H new ATOM 0 HD21 LEU A 58 5.889 9.457 2.871 1.00 0.00 H new ATOM 0 HD22 LEU A 58 5.466 8.058 3.886 1.00 0.00 H new ATOM 0 HD23 LEU A 58 6.540 7.847 2.483 1.00 0.00 H new ATOM 902 N LEU A 59 4.972 5.661 -1.153 1.00 0.00 N ATOM 903 CA LEU A 59 5.704 4.664 -2.000 1.00 0.00 C ATOM 904 C LEU A 59 7.229 4.772 -1.835 1.00 0.00 C ATOM 905 O LEU A 59 7.812 5.820 -2.021 1.00 0.00 O ATOM 906 CB LEU A 59 5.282 5.004 -3.442 1.00 0.00 C ATOM 907 CG LEU A 59 5.912 4.020 -4.439 1.00 0.00 C ATOM 908 CD1 LEU A 59 7.368 4.411 -4.696 1.00 0.00 C ATOM 909 CD2 LEU A 59 5.856 2.594 -3.879 1.00 0.00 C ATOM 0 H LEU A 59 5.079 6.638 -1.426 1.00 0.00 H new ATOM 0 HA LEU A 59 5.458 3.640 -1.718 1.00 0.00 H new ATOM 0 HB2 LEU A 59 4.196 4.969 -3.526 1.00 0.00 H new ATOM 0 HB3 LEU A 59 5.588 6.022 -3.685 1.00 0.00 H new ATOM 0 HG LEU A 59 5.354 4.057 -5.374 1.00 0.00 H new ATOM 0 HD11 LEU A 59 7.813 3.712 -5.404 1.00 0.00 H new ATOM 0 HD12 LEU A 59 7.407 5.419 -5.109 1.00 0.00 H new ATOM 0 HD13 LEU A 59 7.924 4.382 -3.759 1.00 0.00 H new ATOM 0 HD21 LEU A 59 6.305 1.905 -4.594 1.00 0.00 H new ATOM 0 HD22 LEU A 59 6.405 2.551 -2.939 1.00 0.00 H new ATOM 0 HD23 LEU A 59 4.818 2.312 -3.706 1.00 0.00 H new ATOM 921 N PHE A 60 7.877 3.675 -1.515 1.00 0.00 N ATOM 922 CA PHE A 60 9.367 3.689 -1.367 1.00 0.00 C ATOM 923 C PHE A 60 9.990 2.809 -2.456 1.00 0.00 C ATOM 924 O PHE A 60 9.492 1.743 -2.756 1.00 0.00 O ATOM 925 CB PHE A 60 9.668 3.080 0.007 1.00 0.00 C ATOM 926 CG PHE A 60 9.083 3.933 1.105 1.00 0.00 C ATOM 927 CD1 PHE A 60 7.720 3.865 1.377 1.00 0.00 C ATOM 928 CD2 PHE A 60 9.906 4.773 1.861 1.00 0.00 C ATOM 929 CE1 PHE A 60 7.168 4.635 2.401 1.00 0.00 C ATOM 930 CE2 PHE A 60 9.356 5.546 2.894 1.00 0.00 C ATOM 931 CZ PHE A 60 7.985 5.476 3.164 1.00 0.00 C ATOM 0 H PHE A 60 7.436 2.770 -1.350 1.00 0.00 H new ATOM 0 HA PHE A 60 9.770 4.698 -1.456 1.00 0.00 H new ATOM 0 HB2 PHE A 60 9.255 2.073 0.063 1.00 0.00 H new ATOM 0 HB3 PHE A 60 10.746 2.991 0.143 1.00 0.00 H new ATOM 0 HD1 PHE A 60 7.087 3.213 0.793 1.00 0.00 H new ATOM 0 HD2 PHE A 60 10.964 4.827 1.650 1.00 0.00 H new ATOM 0 HE1 PHE A 60 6.109 4.582 2.605 1.00 0.00 H new ATOM 0 HE2 PHE A 60 9.990 6.195 3.480 1.00 0.00 H new ATOM 0 HZ PHE A 60 7.559 6.070 3.959 1.00 0.00 H new ATOM 941 N GLN A 61 11.070 3.233 -3.047 1.00 0.00 N ATOM 942 CA GLN A 61 11.702 2.396 -4.109 1.00 0.00 C ATOM 943 C GLN A 61 12.806 1.509 -3.514 1.00 0.00 C ATOM 944 O GLN A 61 13.732 1.994 -2.897 1.00 0.00 O ATOM 945 CB GLN A 61 12.296 3.398 -5.104 1.00 0.00 C ATOM 946 CG GLN A 61 11.169 4.202 -5.762 1.00 0.00 C ATOM 947 CD GLN A 61 11.767 5.279 -6.670 1.00 0.00 C ATOM 948 OE1 GLN A 61 11.899 5.082 -7.861 1.00 0.00 O ATOM 949 NE2 GLN A 61 12.145 6.416 -6.153 1.00 0.00 N ATOM 0 H GLN A 61 11.541 4.115 -2.845 1.00 0.00 H new ATOM 0 HA GLN A 61 10.984 1.726 -4.581 1.00 0.00 H new ATOM 0 HB2 GLN A 61 12.984 4.070 -4.591 1.00 0.00 H new ATOM 0 HB3 GLN A 61 12.872 2.872 -5.865 1.00 0.00 H new ATOM 0 HG2 GLN A 61 10.527 3.539 -6.342 1.00 0.00 H new ATOM 0 HG3 GLN A 61 10.544 4.663 -4.997 1.00 0.00 H new ATOM 0 HE21 GLN A 61 12.035 6.583 -5.153 1.00 0.00 H new ATOM 0 HE22 GLN A 61 12.551 7.138 -6.749 1.00 0.00 H new ATOM 958 N VAL A 62 12.719 0.214 -3.710 1.00 0.00 N ATOM 959 CA VAL A 62 13.769 -0.709 -3.171 1.00 0.00 C ATOM 960 C VAL A 62 13.906 -0.543 -1.655 1.00 0.00 C ATOM 961 O VAL A 62 13.624 0.502 -1.101 1.00 0.00 O ATOM 962 CB VAL A 62 15.088 -0.379 -3.915 1.00 0.00 C ATOM 963 CG1 VAL A 62 14.798 0.427 -5.183 1.00 0.00 C ATOM 964 CG2 VAL A 62 16.046 0.413 -3.016 1.00 0.00 C ATOM 0 H VAL A 62 11.964 -0.244 -4.221 1.00 0.00 H new ATOM 0 HA VAL A 62 13.502 -1.753 -3.338 1.00 0.00 H new ATOM 0 HB VAL A 62 15.561 -1.323 -4.185 1.00 0.00 H new ATOM 0 HG11 VAL A 62 15.734 0.651 -5.694 1.00 0.00 H new ATOM 0 HG12 VAL A 62 14.154 -0.153 -5.844 1.00 0.00 H new ATOM 0 HG13 VAL A 62 14.299 1.358 -4.916 1.00 0.00 H new ATOM 0 HG21 VAL A 62 16.963 0.631 -3.564 1.00 0.00 H new ATOM 0 HG22 VAL A 62 15.573 1.348 -2.714 1.00 0.00 H new ATOM 0 HG23 VAL A 62 16.284 -0.176 -2.130 1.00 0.00 H new ATOM 974 N ILE A 63 14.348 -1.572 -0.988 1.00 0.00 N ATOM 975 CA ILE A 63 14.524 -1.497 0.485 1.00 0.00 C ATOM 976 C ILE A 63 15.984 -1.193 0.747 1.00 0.00 C ATOM 977 O ILE A 63 16.827 -2.070 0.753 1.00 0.00 O ATOM 978 CB ILE A 63 14.162 -2.891 1.011 1.00 0.00 C ATOM 979 CG1 ILE A 63 12.974 -3.441 0.219 1.00 0.00 C ATOM 980 CG2 ILE A 63 13.788 -2.796 2.492 1.00 0.00 C ATOM 981 CD1 ILE A 63 11.867 -2.392 0.191 1.00 0.00 C ATOM 0 H ILE A 63 14.596 -2.469 -1.406 1.00 0.00 H new ATOM 0 HA ILE A 63 13.911 -0.733 0.963 1.00 0.00 H new ATOM 0 HB ILE A 63 15.017 -3.557 0.894 1.00 0.00 H new ATOM 0 HG12 ILE A 63 13.282 -3.691 -0.796 1.00 0.00 H new ATOM 0 HG13 ILE A 63 12.610 -4.361 0.677 1.00 0.00 H new ATOM 0 HG21 ILE A 63 13.531 -3.787 2.867 1.00 0.00 H new ATOM 0 HG22 ILE A 63 14.634 -2.403 3.056 1.00 0.00 H new ATOM 0 HG23 ILE A 63 12.933 -2.130 2.609 1.00 0.00 H new ATOM 0 HD11 ILE A 63 11.016 -2.776 -0.372 1.00 0.00 H new ATOM 0 HD12 ILE A 63 11.555 -2.165 1.210 1.00 0.00 H new ATOM 0 HD13 ILE A 63 12.238 -1.485 -0.286 1.00 0.00 H new ATOM 993 N ALA A 64 16.291 0.048 0.919 1.00 0.00 N ATOM 994 CA ALA A 64 17.699 0.436 1.130 1.00 0.00 C ATOM 995 C ALA A 64 17.859 1.244 2.420 1.00 0.00 C ATOM 996 O ALA A 64 17.218 2.258 2.612 1.00 0.00 O ATOM 997 CB ALA A 64 18.006 1.267 -0.108 1.00 0.00 C ATOM 0 H ALA A 64 15.623 0.818 0.923 1.00 0.00 H new ATOM 0 HA ALA A 64 18.375 -0.410 1.248 1.00 0.00 H new ATOM 0 HB1 ALA A 64 19.038 1.616 -0.065 1.00 0.00 H new ATOM 0 HB2 ALA A 64 17.866 0.656 -1.000 1.00 0.00 H new ATOM 0 HB3 ALA A 64 17.334 2.124 -0.147 1.00 0.00 H new ATOM 1003 N GLY A 65 18.709 0.803 3.304 1.00 0.00 N ATOM 1004 CA GLY A 65 18.910 1.546 4.581 1.00 0.00 C ATOM 1005 C GLY A 65 20.406 1.663 4.870 1.00 0.00 C ATOM 1006 O GLY A 65 21.152 0.715 4.725 1.00 0.00 O ATOM 0 H GLY A 65 19.274 -0.040 3.199 1.00 0.00 H new ATOM 0 HA2 GLY A 65 18.463 2.538 4.512 1.00 0.00 H new ATOM 0 HA3 GLY A 65 18.410 1.027 5.399 1.00 0.00 H new ATOM 1010 N GLY A 66 20.853 2.820 5.275 1.00 0.00 N ATOM 1011 CA GLY A 66 22.304 2.998 5.570 1.00 0.00 C ATOM 1012 C GLY A 66 22.915 3.979 4.566 1.00 0.00 C ATOM 1013 O GLY A 66 22.163 4.547 3.791 1.00 0.00 O ATOM 1014 OXT GLY A 66 24.124 4.146 4.589 1.00 0.00 O ATOM 0 H GLY A 66 20.277 3.650 5.415 1.00 0.00 H new ATOM 0 HA2 GLY A 66 22.436 3.372 6.585 1.00 0.00 H new ATOM 0 HA3 GLY A 66 22.817 2.038 5.514 1.00 0.00 H new TER 1018 GLY A 66