USER MOD reduce.3.24.130724 H: found=0, std=0, add=640, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 643 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 109 LYS NZ :NH3+ -173:sc= 2.02 (180deg=0.867) USER MOD Set 1.2: A 127 GLN : amide:sc= 2.66 K(o=4.7,f=-5.5) USER MOD Set 2.1: A 76 MET CE :methyl -157:sc= -0.237 (180deg=-1.54) USER MOD Set 2.2: A 81 CYS SG : rot -39:sc= -1.28 USER MOD Set 2.3: A 84 LYS NZ :NH3+ 164:sc= 0.647 (180deg=0.504) USER MOD Set 3.1: A 77 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 115 ASN : amide:sc= 0.405 X(o=0.4,f=0.11) USER MOD Set 4.1: A 56 ASN : amide:sc= 1.76 K(o=1.7,f=-4.7!) USER MOD Set 4.2: A 71 ASN : amide:sc= -0.0697 K(o=1.7,f=0.32) USER MOD Set 5.1: A 55 SER OG : rot -146:sc= 0.455 USER MOD Set 5.2: A 57 THR OG1 : rot 180:sc= 0.306 USER MOD Single : A 64 ASN : amide:sc= -0.0121 K(o=-0.012,f=-1.3) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 GLN : amide:sc= -0.206 X(o=-0.21,f=-0.58) USER MOD Single : A 68 THR OG1 : rot 180:sc= -0.0699 USER MOD Single : A 74 ASN : amide:sc= 0.378 K(o=0.38,f=-5.3!) USER MOD Single : A 79 HIS : no HD1:sc= -6.39! C(o=-6.4!,f=-6.1!) USER MOD Single : A 83 MET CE :methyl 179:sc= -0.181 (180deg=-0.186) USER MOD Single : A 87 LYS NZ :NH3+ -148:sc= 0.601 (180deg=-0.491) USER MOD Single : A 92 GLN : amide:sc= -0.423 X(o=-0.42,f=0) USER MOD Single : A 95 CYS SG : rot 180:sc= 0 USER MOD Single : A 96 CYS SG : rot 180:sc= 0 USER MOD Single : A 103 HIS : +bothHN:sc= 0.0999! C(o=0.1!,f=-12!) USER MOD Single : A 105 HIS : no HE2:sc= -3.63! C(o=-3.6!,f=-4.7!) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 116 THR OG1 : rot -150:sc= -0.105 USER MOD Single : A 120 SER OG : rot 96:sc= 1.19 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 55 -13.439 8.121 2.116 1.00 0.00 N ATOM 2 CA SER A 55 -13.221 7.493 0.812 1.00 0.00 C ATOM 3 C SER A 55 -13.262 6.001 0.941 1.00 0.00 C ATOM 4 O SER A 55 -13.633 5.462 1.982 1.00 0.00 O ATOM 5 CB SER A 55 -11.844 7.901 0.250 1.00 0.00 C ATOM 6 OG SER A 55 -11.786 7.652 -1.152 1.00 0.00 O ATOM 0 HA SER A 55 -14.010 7.826 0.138 1.00 0.00 H new ATOM 0 HB2 SER A 55 -11.663 8.958 0.446 1.00 0.00 H new ATOM 0 HB3 SER A 55 -11.057 7.343 0.758 1.00 0.00 H new ATOM 0 HG SER A 55 -10.876 7.386 -1.400 1.00 0.00 H new ATOM 14 N ASN A 56 -12.899 5.304 -0.149 1.00 0.00 N ATOM 15 CA ASN A 56 -12.766 3.879 -0.111 1.00 0.00 C ATOM 16 C ASN A 56 -11.600 3.544 -0.994 1.00 0.00 C ATOM 17 O ASN A 56 -11.397 2.398 -1.391 1.00 0.00 O ATOM 18 CB ASN A 56 -14.031 3.168 -0.631 1.00 0.00 C ATOM 19 CG ASN A 56 -14.017 1.723 -0.145 1.00 0.00 C ATOM 20 OD1 ASN A 56 -14.349 1.432 1.005 1.00 0.00 O ATOM 21 ND2 ASN A 56 -13.695 0.779 -1.066 1.00 0.00 N ATOM 0 H ASN A 56 -12.697 5.725 -1.056 1.00 0.00 H new ATOM 0 HA ASN A 56 -12.619 3.544 0.916 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -14.925 3.678 -0.272 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -14.061 3.200 -1.720 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -13.723 -0.209 -0.815 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -13.425 1.058 -2.009 1.00 0.00 H new ATOM 28 N THR A 57 -10.760 4.560 -1.277 1.00 0.00 N ATOM 29 CA THR A 57 -9.736 4.405 -2.268 1.00 0.00 C ATOM 30 C THR A 57 -8.423 4.707 -1.616 1.00 0.00 C ATOM 31 O THR A 57 -8.339 5.535 -0.707 1.00 0.00 O ATOM 32 CB THR A 57 -9.914 5.342 -3.475 1.00 0.00 C ATOM 33 OG1 THR A 57 -9.828 6.702 -3.069 1.00 0.00 O ATOM 34 CG2 THR A 57 -11.274 5.197 -4.165 1.00 0.00 C ATOM 0 H THR A 57 -10.788 5.475 -0.828 1.00 0.00 H new ATOM 0 HA THR A 57 -9.788 3.385 -2.648 1.00 0.00 H new ATOM 0 HB THR A 57 -9.120 5.060 -4.166 1.00 0.00 H new ATOM 0 HG1 THR A 57 -9.942 7.284 -3.849 1.00 0.00 H new ATOM 0 HG21 THR A 57 -11.330 5.887 -5.007 1.00 0.00 H new ATOM 0 HG22 THR A 57 -11.392 4.175 -4.525 1.00 0.00 H new ATOM 0 HG23 THR A 57 -12.069 5.425 -3.455 1.00 0.00 H new ATOM 42 N ILE A 58 -7.364 4.016 -2.081 1.00 0.00 N ATOM 43 CA ILE A 58 -6.034 4.297 -1.623 1.00 0.00 C ATOM 44 C ILE A 58 -5.131 4.046 -2.790 1.00 0.00 C ATOM 45 O ILE A 58 -5.499 3.327 -3.722 1.00 0.00 O ATOM 46 CB ILE A 58 -5.564 3.419 -0.450 1.00 0.00 C ATOM 47 CG1 ILE A 58 -6.711 2.787 0.352 1.00 0.00 C ATOM 48 CG2 ILE A 58 -4.618 4.152 0.508 1.00 0.00 C ATOM 49 CD1 ILE A 58 -7.262 1.500 -0.274 1.00 0.00 C ATOM 0 H ILE A 58 -7.427 3.267 -2.770 1.00 0.00 H new ATOM 0 HA ILE A 58 -6.014 5.322 -1.254 1.00 0.00 H new ATOM 0 HB ILE A 58 -5.014 2.614 -0.936 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -6.361 2.569 1.361 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -7.520 3.511 0.445 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -4.323 3.479 1.313 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -3.731 4.479 -0.035 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -5.126 5.020 0.928 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -8.069 1.110 0.346 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -7.643 1.715 -1.272 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -6.466 0.759 -0.342 1.00 0.00 H new ATOM 61 N ARG A 59 -3.922 4.646 -2.795 1.00 0.00 N ATOM 62 CA ARG A 59 -3.093 4.516 -3.950 1.00 0.00 C ATOM 63 C ARG A 59 -1.980 3.602 -3.593 1.00 0.00 C ATOM 64 O ARG A 59 -1.651 3.446 -2.426 1.00 0.00 O ATOM 65 CB ARG A 59 -2.483 5.850 -4.350 1.00 0.00 C ATOM 66 CG ARG A 59 -3.435 6.731 -5.156 1.00 0.00 C ATOM 67 CD ARG A 59 -4.532 7.401 -4.318 1.00 0.00 C ATOM 68 NE ARG A 59 -3.956 8.638 -3.713 1.00 0.00 N ATOM 69 CZ ARG A 59 -4.676 9.363 -2.812 1.00 0.00 C ATOM 70 NH1 ARG A 59 -5.873 8.927 -2.373 1.00 0.00 N ATOM 71 NH2 ARG A 59 -4.177 10.519 -2.317 1.00 0.00 N ATOM 0 H ARG A 59 -3.534 5.199 -2.031 1.00 0.00 H new ATOM 0 HA ARG A 59 -3.695 4.144 -4.779 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -2.176 6.385 -3.452 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -1.582 5.669 -4.936 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -2.857 7.504 -5.662 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -3.904 6.125 -5.931 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -5.392 7.646 -4.941 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -4.885 6.724 -3.540 1.00 0.00 H new ATOM 0 HE ARG A 59 -3.018 8.942 -3.976 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -6.251 8.044 -2.715 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -6.401 9.480 -1.698 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -3.260 10.849 -2.618 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -4.718 11.060 -1.642 1.00 0.00 H new ATOM 85 N VAL A 60 -1.347 3.018 -4.623 1.00 0.00 N ATOM 86 CA VAL A 60 -0.218 2.166 -4.397 1.00 0.00 C ATOM 87 C VAL A 60 0.793 2.499 -5.439 1.00 0.00 C ATOM 88 O VAL A 60 0.567 2.265 -6.620 1.00 0.00 O ATOM 89 CB VAL A 60 -0.525 0.665 -4.478 1.00 0.00 C ATOM 90 CG1 VAL A 60 0.556 -0.209 -3.830 1.00 0.00 C ATOM 91 CG2 VAL A 60 -1.899 0.291 -3.902 1.00 0.00 C ATOM 0 H VAL A 60 -1.610 3.132 -5.602 1.00 0.00 H new ATOM 0 HA VAL A 60 0.128 2.345 -3.379 1.00 0.00 H new ATOM 0 HB VAL A 60 -0.538 0.457 -5.548 1.00 0.00 H new ATOM 0 HG11 VAL A 60 0.278 -1.259 -3.921 1.00 0.00 H new ATOM 0 HG12 VAL A 60 1.509 -0.041 -4.332 1.00 0.00 H new ATOM 0 HG13 VAL A 60 0.650 0.051 -2.776 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -2.051 -0.785 -3.992 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -1.943 0.577 -2.851 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -2.680 0.815 -4.454 1.00 0.00 H new ATOM 101 N PHE A 61 1.934 3.056 -4.998 1.00 0.00 N ATOM 102 CA PHE A 61 2.965 3.464 -5.907 1.00 0.00 C ATOM 103 C PHE A 61 3.998 2.380 -5.894 1.00 0.00 C ATOM 104 O PHE A 61 4.249 1.752 -4.865 1.00 0.00 O ATOM 105 CB PHE A 61 3.641 4.769 -5.461 1.00 0.00 C ATOM 106 CG PHE A 61 2.772 5.912 -5.872 1.00 0.00 C ATOM 107 CD1 PHE A 61 1.502 6.084 -5.338 1.00 0.00 C ATOM 108 CD2 PHE A 61 3.274 6.924 -6.699 1.00 0.00 C ATOM 109 CE1 PHE A 61 0.788 7.247 -5.558 1.00 0.00 C ATOM 110 CE2 PHE A 61 2.565 8.095 -6.901 1.00 0.00 C ATOM 111 CZ PHE A 61 1.327 8.262 -6.315 1.00 0.00 C ATOM 0 H PHE A 61 2.145 3.225 -4.014 1.00 0.00 H new ATOM 0 HA PHE A 61 2.531 3.632 -6.893 1.00 0.00 H new ATOM 0 HB2 PHE A 61 3.786 4.772 -4.381 1.00 0.00 H new ATOM 0 HB3 PHE A 61 4.628 4.860 -5.915 1.00 0.00 H new ATOM 0 HD1 PHE A 61 1.065 5.297 -4.741 1.00 0.00 H new ATOM 0 HD2 PHE A 61 4.228 6.789 -7.186 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -0.199 7.360 -5.133 1.00 0.00 H new ATOM 0 HE2 PHE A 61 2.981 8.878 -7.517 1.00 0.00 H new ATOM 0 HZ PHE A 61 0.783 9.185 -6.450 1.00 0.00 H new ATOM 121 N LEU A 62 4.648 2.127 -7.049 1.00 0.00 N ATOM 122 CA LEU A 62 5.518 0.991 -7.132 1.00 0.00 C ATOM 123 C LEU A 62 6.915 1.467 -6.848 1.00 0.00 C ATOM 124 O LEU A 62 7.230 2.653 -6.961 1.00 0.00 O ATOM 125 CB LEU A 62 5.500 0.336 -8.520 1.00 0.00 C ATOM 126 CG LEU A 62 4.248 -0.504 -8.804 1.00 0.00 C ATOM 127 CD1 LEU A 62 4.558 -1.987 -9.012 1.00 0.00 C ATOM 128 CD2 LEU A 62 3.088 -0.293 -7.814 1.00 0.00 C ATOM 0 H LEU A 62 4.576 2.688 -7.898 1.00 0.00 H new ATOM 0 HA LEU A 62 5.178 0.245 -6.413 1.00 0.00 H new ATOM 0 HB2 LEU A 62 5.580 1.115 -9.278 1.00 0.00 H new ATOM 0 HB3 LEU A 62 6.380 -0.299 -8.621 1.00 0.00 H new ATOM 0 HG LEU A 62 3.884 -0.113 -9.754 1.00 0.00 H new ATOM 0 HD11 LEU A 62 3.632 -2.528 -9.209 1.00 0.00 H new ATOM 0 HD12 LEU A 62 5.233 -2.102 -9.860 1.00 0.00 H new ATOM 0 HD13 LEU A 62 5.030 -2.389 -8.116 1.00 0.00 H new ATOM 0 HD21 LEU A 62 2.249 -0.929 -8.096 1.00 0.00 H new ATOM 0 HD22 LEU A 62 3.417 -0.552 -6.808 1.00 0.00 H new ATOM 0 HD23 LEU A 62 2.776 0.751 -7.836 1.00 0.00 H new ATOM 140 N PRO A 63 7.766 0.470 -6.627 1.00 0.00 N ATOM 141 CA PRO A 63 9.117 0.947 -6.426 1.00 0.00 C ATOM 142 C PRO A 63 9.687 1.097 -7.817 1.00 0.00 C ATOM 143 O PRO A 63 10.776 1.638 -7.997 1.00 0.00 O ATOM 144 CB PRO A 63 9.848 -0.167 -5.709 1.00 0.00 C ATOM 145 CG PRO A 63 8.782 -1.142 -5.210 1.00 0.00 C ATOM 146 CD PRO A 63 7.445 -0.643 -5.755 1.00 0.00 C ATOM 0 HA PRO A 63 9.188 1.877 -5.862 1.00 0.00 H new ATOM 0 HB2 PRO A 63 10.546 -0.667 -6.381 1.00 0.00 H new ATOM 0 HB3 PRO A 63 10.433 0.226 -4.877 1.00 0.00 H new ATOM 0 HG2 PRO A 63 8.989 -2.154 -5.558 1.00 0.00 H new ATOM 0 HG3 PRO A 63 8.768 -1.176 -4.121 1.00 0.00 H new ATOM 0 HD2 PRO A 63 6.926 -1.431 -6.301 1.00 0.00 H new ATOM 0 HD3 PRO A 63 6.785 -0.329 -4.946 1.00 0.00 H new ATOM 154 N ASN A 64 8.926 0.680 -8.853 1.00 0.00 N ATOM 155 CA ASN A 64 9.357 0.861 -10.208 1.00 0.00 C ATOM 156 C ASN A 64 8.840 2.197 -10.668 1.00 0.00 C ATOM 157 O ASN A 64 8.728 2.442 -11.867 1.00 0.00 O ATOM 158 CB ASN A 64 8.812 -0.213 -11.165 1.00 0.00 C ATOM 159 CG ASN A 64 9.100 -1.583 -10.563 1.00 0.00 C ATOM 160 OD1 ASN A 64 8.400 -2.039 -9.659 1.00 0.00 O ATOM 161 ND2 ASN A 64 10.145 -2.273 -11.091 1.00 0.00 N ATOM 0 H ASN A 64 8.020 0.222 -8.752 1.00 0.00 H new ATOM 0 HA ASN A 64 10.445 0.792 -10.227 1.00 0.00 H new ATOM 0 HB2 ASN A 64 7.740 -0.081 -11.312 1.00 0.00 H new ATOM 0 HB3 ASN A 64 9.282 -0.122 -12.144 1.00 0.00 H new ATOM 0 HD21 ASN A 64 10.372 -3.203 -10.739 1.00 0.00 H new ATOM 0 HD22 ASN A 64 10.702 -1.861 -11.840 1.00 0.00 H new ATOM 168 N LYS A 65 8.439 3.054 -9.701 1.00 0.00 N ATOM 169 CA LYS A 65 8.026 4.398 -9.998 1.00 0.00 C ATOM 170 C LYS A 65 6.604 4.357 -10.470 1.00 0.00 C ATOM 171 O LYS A 65 6.009 5.391 -10.776 1.00 0.00 O ATOM 172 CB LYS A 65 8.893 5.156 -11.016 1.00 0.00 C ATOM 173 CG LYS A 65 10.398 5.002 -10.775 1.00 0.00 C ATOM 174 CD LYS A 65 10.940 5.901 -9.658 1.00 0.00 C ATOM 175 CE LYS A 65 12.234 5.378 -9.029 1.00 0.00 C ATOM 176 NZ LYS A 65 12.665 6.271 -7.958 1.00 0.00 N ATOM 0 H LYS A 65 8.401 2.814 -8.710 1.00 0.00 H new ATOM 0 HA LYS A 65 8.143 4.962 -9.073 1.00 0.00 H new ATOM 0 HB2 LYS A 65 8.656 4.800 -12.019 1.00 0.00 H new ATOM 0 HB3 LYS A 65 8.635 6.214 -10.984 1.00 0.00 H new ATOM 0 HG2 LYS A 65 10.613 3.962 -10.528 1.00 0.00 H new ATOM 0 HG3 LYS A 65 10.930 5.227 -11.700 1.00 0.00 H new ATOM 0 HD2 LYS A 65 11.117 6.899 -10.059 1.00 0.00 H new ATOM 0 HD3 LYS A 65 10.182 6.000 -8.881 1.00 0.00 H new ATOM 0 HE2 LYS A 65 12.077 4.374 -8.635 1.00 0.00 H new ATOM 0 HE3 LYS A 65 13.013 5.304 -9.788 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 13.544 5.909 -7.536 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 12.833 7.222 -8.345 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 11.926 6.320 -7.228 1.00 0.00 H new ATOM 190 N GLN A 66 6.003 3.150 -10.473 1.00 0.00 N ATOM 191 CA GLN A 66 4.676 2.998 -10.991 1.00 0.00 C ATOM 192 C GLN A 66 3.712 3.294 -9.905 1.00 0.00 C ATOM 193 O GLN A 66 4.072 3.824 -8.860 1.00 0.00 O ATOM 194 CB GLN A 66 4.393 1.594 -11.540 1.00 0.00 C ATOM 195 CG GLN A 66 4.571 1.485 -13.052 1.00 0.00 C ATOM 196 CD GLN A 66 3.385 2.162 -13.723 1.00 0.00 C ATOM 197 OE1 GLN A 66 3.411 3.360 -14.005 1.00 0.00 O ATOM 198 NE2 GLN A 66 2.298 1.388 -13.968 1.00 0.00 N ATOM 0 H GLN A 66 6.428 2.292 -10.122 1.00 0.00 H new ATOM 0 HA GLN A 66 4.572 3.690 -11.827 1.00 0.00 H new ATOM 0 HB2 GLN A 66 5.057 0.881 -11.051 1.00 0.00 H new ATOM 0 HB3 GLN A 66 3.373 1.310 -11.281 1.00 0.00 H new ATOM 0 HG2 GLN A 66 5.503 1.959 -13.360 1.00 0.00 H new ATOM 0 HG3 GLN A 66 4.631 0.439 -13.353 1.00 0.00 H new ATOM 0 HE21 GLN A 66 2.311 0.398 -13.721 1.00 0.00 H new ATOM 0 HE22 GLN A 66 1.468 1.796 -14.399 1.00 0.00 H new ATOM 207 N ARG A 67 2.416 3.101 -10.207 1.00 0.00 N ATOM 208 CA ARG A 67 1.408 3.402 -9.244 1.00 0.00 C ATOM 209 C ARG A 67 0.099 2.918 -9.779 1.00 0.00 C ATOM 210 O ARG A 67 -0.013 2.526 -10.942 1.00 0.00 O ATOM 211 CB ARG A 67 1.292 4.896 -8.947 1.00 0.00 C ATOM 212 CG ARG A 67 1.281 5.777 -10.200 1.00 0.00 C ATOM 213 CD ARG A 67 2.572 6.579 -10.389 1.00 0.00 C ATOM 214 NE ARG A 67 2.431 7.371 -11.644 1.00 0.00 N ATOM 215 CZ ARG A 67 3.513 7.979 -12.203 1.00 0.00 C ATOM 216 NH1 ARG A 67 4.763 7.686 -11.789 1.00 0.00 N ATOM 217 NH2 ARG A 67 3.355 8.775 -13.284 1.00 0.00 N ATOM 0 H ARG A 67 2.073 2.744 -11.099 1.00 0.00 H new ATOM 0 HA ARG A 67 1.681 2.909 -8.311 1.00 0.00 H new ATOM 0 HB2 ARG A 67 0.378 5.074 -8.381 1.00 0.00 H new ATOM 0 HB3 ARG A 67 2.125 5.196 -8.311 1.00 0.00 H new ATOM 0 HG2 ARG A 67 1.121 5.149 -11.076 1.00 0.00 H new ATOM 0 HG3 ARG A 67 0.438 6.466 -10.144 1.00 0.00 H new ATOM 0 HD2 ARG A 67 2.742 7.238 -9.537 1.00 0.00 H new ATOM 0 HD3 ARG A 67 3.432 5.912 -10.452 1.00 0.00 H new ATOM 0 HE ARG A 67 1.517 7.458 -12.087 1.00 0.00 H new ATOM 0 HH11 ARG A 67 4.907 7.001 -11.048 1.00 0.00 H new ATOM 0 HH12 ARG A 67 5.564 8.150 -12.217 1.00 0.00 H new ATOM 0 HH21 ARG A 67 2.426 8.919 -13.680 1.00 0.00 H new ATOM 0 HH22 ARG A 67 4.165 9.231 -13.704 1.00 0.00 H new ATOM 231 N THR A 68 -0.921 2.930 -8.902 1.00 0.00 N ATOM 232 CA THR A 68 -2.248 2.556 -9.292 1.00 0.00 C ATOM 233 C THR A 68 -3.149 2.975 -8.169 1.00 0.00 C ATOM 234 O THR A 68 -2.679 3.296 -7.076 1.00 0.00 O ATOM 235 CB THR A 68 -2.416 1.049 -9.549 1.00 0.00 C ATOM 236 OG1 THR A 68 -3.714 0.775 -10.059 1.00 0.00 O ATOM 237 CG2 THR A 68 -2.127 0.166 -8.326 1.00 0.00 C ATOM 0 H THR A 68 -0.828 3.199 -7.922 1.00 0.00 H new ATOM 0 HA THR A 68 -2.487 3.043 -10.238 1.00 0.00 H new ATOM 0 HB THR A 68 -1.661 0.789 -10.290 1.00 0.00 H new ATOM 0 HG1 THR A 68 -3.806 -0.187 -10.219 1.00 0.00 H new ATOM 0 HG21 THR A 68 -2.268 -0.882 -8.592 1.00 0.00 H new ATOM 0 HG22 THR A 68 -1.099 0.322 -8.000 1.00 0.00 H new ATOM 0 HG23 THR A 68 -2.808 0.430 -7.517 1.00 0.00 H new ATOM 245 N VAL A 69 -4.470 3.009 -8.430 1.00 0.00 N ATOM 246 CA VAL A 69 -5.408 3.318 -7.391 1.00 0.00 C ATOM 247 C VAL A 69 -6.272 2.112 -7.222 1.00 0.00 C ATOM 248 O VAL A 69 -6.657 1.469 -8.198 1.00 0.00 O ATOM 249 CB VAL A 69 -6.314 4.520 -7.697 1.00 0.00 C ATOM 250 CG1 VAL A 69 -6.948 5.138 -6.445 1.00 0.00 C ATOM 251 CG2 VAL A 69 -5.612 5.622 -8.507 1.00 0.00 C ATOM 0 H VAL A 69 -4.884 2.826 -9.344 1.00 0.00 H new ATOM 0 HA VAL A 69 -4.842 3.583 -6.498 1.00 0.00 H new ATOM 0 HB VAL A 69 -7.109 4.096 -8.311 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -7.575 5.982 -6.733 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -7.557 4.389 -5.938 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -6.163 5.483 -5.772 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -6.309 6.440 -8.688 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -4.753 5.993 -7.948 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -5.276 5.215 -9.460 1.00 0.00 H new ATOM 261 N VAL A 70 -6.600 1.778 -5.962 1.00 0.00 N ATOM 262 CA VAL A 70 -7.318 0.567 -5.705 1.00 0.00 C ATOM 263 C VAL A 70 -8.365 0.868 -4.681 1.00 0.00 C ATOM 264 O VAL A 70 -8.290 1.872 -3.970 1.00 0.00 O ATOM 265 CB VAL A 70 -6.417 -0.559 -5.182 1.00 0.00 C ATOM 266 CG1 VAL A 70 -5.413 -1.055 -6.225 1.00 0.00 C ATOM 267 CG2 VAL A 70 -5.632 -0.184 -3.911 1.00 0.00 C ATOM 0 H VAL A 70 -6.375 2.332 -5.136 1.00 0.00 H new ATOM 0 HA VAL A 70 -7.749 0.219 -6.644 1.00 0.00 H new ATOM 0 HB VAL A 70 -7.122 -1.355 -4.942 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -4.805 -1.851 -5.795 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -5.949 -1.437 -7.094 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -4.769 -0.231 -6.530 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -5.017 -1.029 -3.600 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -4.992 0.674 -4.118 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -6.330 0.069 -3.113 1.00 0.00 H new ATOM 277 N ASN A 71 -9.365 -0.029 -4.586 1.00 0.00 N ATOM 278 CA ASN A 71 -10.384 0.104 -3.587 1.00 0.00 C ATOM 279 C ASN A 71 -10.156 -0.991 -2.595 1.00 0.00 C ATOM 280 O ASN A 71 -9.665 -2.065 -2.946 1.00 0.00 O ATOM 281 CB ASN A 71 -11.800 -0.088 -4.155 1.00 0.00 C ATOM 282 CG ASN A 71 -12.187 1.170 -4.920 1.00 0.00 C ATOM 283 OD1 ASN A 71 -12.750 2.106 -4.353 1.00 0.00 O ATOM 284 ND2 ASN A 71 -11.920 1.181 -6.254 1.00 0.00 N ATOM 0 H ASN A 71 -9.469 -0.840 -5.195 1.00 0.00 H new ATOM 0 HA ASN A 71 -10.324 1.106 -3.162 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -11.830 -0.956 -4.813 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -12.510 -0.275 -3.349 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -12.188 1.985 -6.821 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -11.451 0.385 -6.687 1.00 0.00 H new ATOM 291 N VAL A 72 -10.538 -0.747 -1.327 1.00 0.00 N ATOM 292 CA VAL A 72 -10.358 -1.742 -0.310 1.00 0.00 C ATOM 293 C VAL A 72 -11.724 -2.197 0.112 1.00 0.00 C ATOM 294 O VAL A 72 -12.740 -1.681 -0.350 1.00 0.00 O ATOM 295 CB VAL A 72 -9.588 -1.213 0.912 1.00 0.00 C ATOM 296 CG1 VAL A 72 -10.330 -0.117 1.682 1.00 0.00 C ATOM 297 CG2 VAL A 72 -9.134 -2.303 1.895 1.00 0.00 C ATOM 0 H VAL A 72 -10.964 0.123 -1.008 1.00 0.00 H new ATOM 0 HA VAL A 72 -9.763 -2.559 -0.718 1.00 0.00 H new ATOM 0 HB VAL A 72 -8.696 -0.777 0.462 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -9.725 0.206 2.529 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -10.512 0.731 1.022 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -11.282 -0.507 2.043 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -8.599 -1.843 2.726 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -10.005 -2.836 2.275 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -8.475 -3.003 1.382 1.00 0.00 H new ATOM 307 N ARG A 73 -11.769 -3.206 1.001 1.00 0.00 N ATOM 308 CA ARG A 73 -13.017 -3.653 1.540 1.00 0.00 C ATOM 309 C ARG A 73 -12.705 -4.309 2.849 1.00 0.00 C ATOM 310 O ARG A 73 -11.581 -4.233 3.344 1.00 0.00 O ATOM 311 CB ARG A 73 -13.761 -4.639 0.617 1.00 0.00 C ATOM 312 CG ARG A 73 -15.027 -4.052 -0.020 1.00 0.00 C ATOM 313 CD ARG A 73 -16.046 -3.525 0.998 1.00 0.00 C ATOM 314 NE ARG A 73 -15.773 -2.071 1.200 1.00 0.00 N ATOM 315 CZ ARG A 73 -16.385 -1.380 2.201 1.00 0.00 C ATOM 316 NH1 ARG A 73 -17.068 -2.022 3.171 1.00 0.00 N ATOM 317 NH2 ARG A 73 -16.188 -0.047 2.319 1.00 0.00 N ATOM 0 H ARG A 73 -10.950 -3.708 1.344 1.00 0.00 H new ATOM 0 HA ARG A 73 -13.685 -2.799 1.653 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -13.084 -4.964 -0.173 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -14.031 -5.526 1.190 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -14.743 -3.240 -0.689 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -15.503 -4.818 -0.633 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -17.063 -3.677 0.636 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -15.960 -4.065 1.941 1.00 0.00 H new ATOM 0 HE ARG A 73 -15.121 -1.590 0.581 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -17.132 -3.040 3.162 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -17.521 -1.489 3.914 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -15.582 0.439 1.659 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -16.646 0.472 3.068 1.00 0.00 H new ATOM 331 N ASN A 74 -13.707 -4.972 3.455 1.00 0.00 N ATOM 332 CA ASN A 74 -13.501 -5.575 4.739 1.00 0.00 C ATOM 333 C ASN A 74 -12.876 -6.920 4.509 1.00 0.00 C ATOM 334 O ASN A 74 -13.496 -7.820 3.947 1.00 0.00 O ATOM 335 CB ASN A 74 -14.796 -5.787 5.535 1.00 0.00 C ATOM 336 CG ASN A 74 -15.653 -4.534 5.400 1.00 0.00 C ATOM 337 OD1 ASN A 74 -16.433 -4.396 4.456 1.00 0.00 O ATOM 338 ND2 ASN A 74 -15.484 -3.571 6.346 1.00 0.00 N ATOM 0 H ASN A 74 -14.643 -5.090 3.067 1.00 0.00 H new ATOM 0 HA ASN A 74 -12.873 -4.901 5.322 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -15.334 -6.657 5.159 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -14.570 -5.981 6.583 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -16.012 -2.700 6.287 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -14.829 -3.720 7.114 1.00 0.00 H new ATOM 345 N GLY A 75 -11.609 -7.069 4.940 1.00 0.00 N ATOM 346 CA GLY A 75 -10.969 -8.355 4.901 1.00 0.00 C ATOM 347 C GLY A 75 -10.012 -8.362 3.749 1.00 0.00 C ATOM 348 O GLY A 75 -9.825 -9.387 3.099 1.00 0.00 O ATOM 0 H GLY A 75 -11.033 -6.314 5.311 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -10.442 -8.546 5.835 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -11.710 -9.146 4.785 1.00 0.00 H new ATOM 352 N MET A 76 -9.326 -7.226 3.508 1.00 0.00 N ATOM 353 CA MET A 76 -8.323 -7.197 2.487 1.00 0.00 C ATOM 354 C MET A 76 -6.998 -7.262 3.171 1.00 0.00 C ATOM 355 O MET A 76 -6.328 -8.287 3.108 1.00 0.00 O ATOM 356 CB MET A 76 -8.381 -5.939 1.610 1.00 0.00 C ATOM 357 CG MET A 76 -9.753 -5.698 0.983 1.00 0.00 C ATOM 358 SD MET A 76 -10.138 -7.032 -0.198 1.00 0.00 S ATOM 359 CE MET A 76 -8.800 -6.768 -1.406 1.00 0.00 C ATOM 0 H MET A 76 -9.462 -6.347 4.008 1.00 0.00 H new ATOM 0 HA MET A 76 -8.490 -8.041 1.817 1.00 0.00 H new ATOM 0 HB2 MET A 76 -8.108 -5.073 2.212 1.00 0.00 H new ATOM 0 HB3 MET A 76 -7.637 -6.023 0.817 1.00 0.00 H new ATOM 0 HG2 MET A 76 -10.516 -5.657 1.761 1.00 0.00 H new ATOM 0 HG3 MET A 76 -9.766 -4.734 0.474 1.00 0.00 H new ATOM 0 HE1 MET A 76 -9.090 -7.190 -2.368 1.00 0.00 H new ATOM 0 HE2 MET A 76 -8.617 -5.699 -1.519 1.00 0.00 H new ATOM 0 HE3 MET A 76 -7.891 -7.257 -1.055 1.00 0.00 H new ATOM 369 N SER A 77 -6.628 -6.174 3.879 1.00 0.00 N ATOM 370 CA SER A 77 -5.363 -6.118 4.565 1.00 0.00 C ATOM 371 C SER A 77 -4.305 -5.817 3.564 1.00 0.00 C ATOM 372 O SER A 77 -4.270 -6.452 2.529 1.00 0.00 O ATOM 373 CB SER A 77 -4.907 -7.402 5.244 1.00 0.00 C ATOM 374 OG SER A 77 -5.926 -7.896 6.103 1.00 0.00 O ATOM 0 H SER A 77 -7.200 -5.335 3.978 1.00 0.00 H new ATOM 0 HA SER A 77 -5.509 -5.367 5.342 1.00 0.00 H new ATOM 0 HB2 SER A 77 -4.661 -8.152 4.492 1.00 0.00 H new ATOM 0 HB3 SER A 77 -3.998 -7.215 5.817 1.00 0.00 H new ATOM 0 HG SER A 77 -5.620 -8.722 6.532 1.00 0.00 H new ATOM 380 N LEU A 78 -3.238 -5.138 4.032 1.00 0.00 N ATOM 381 CA LEU A 78 -2.193 -4.639 3.179 1.00 0.00 C ATOM 382 C LEU A 78 -1.758 -5.718 2.226 1.00 0.00 C ATOM 383 O LEU A 78 -1.817 -5.524 1.024 1.00 0.00 O ATOM 384 CB LEU A 78 -0.983 -4.209 4.006 1.00 0.00 C ATOM 385 CG LEU A 78 -0.845 -2.696 4.147 1.00 0.00 C ATOM 386 CD1 LEU A 78 -0.683 -1.984 2.846 1.00 0.00 C ATOM 387 CD2 LEU A 78 -2.116 -2.003 4.587 1.00 0.00 C ATOM 0 H LEU A 78 -3.096 -4.931 5.021 1.00 0.00 H new ATOM 0 HA LEU A 78 -2.582 -3.781 2.630 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -1.056 -4.653 4.999 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -0.079 -4.606 3.545 1.00 0.00 H new ATOM 0 HG LEU A 78 -0.003 -2.638 4.837 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -0.591 -0.913 3.026 1.00 0.00 H new ATOM 0 HD12 LEU A 78 0.214 -2.346 2.343 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -1.553 -2.173 2.217 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -1.938 -0.930 4.664 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -2.903 -2.188 3.856 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -2.424 -2.390 5.558 1.00 0.00 H new ATOM 399 N HIS A 79 -1.376 -6.890 2.766 1.00 0.00 N ATOM 400 CA HIS A 79 -0.776 -7.934 1.979 1.00 0.00 C ATOM 401 C HIS A 79 -1.724 -8.313 0.874 1.00 0.00 C ATOM 402 O HIS A 79 -1.379 -8.203 -0.295 1.00 0.00 O ATOM 403 CB HIS A 79 -0.504 -9.189 2.819 1.00 0.00 C ATOM 404 CG HIS A 79 0.955 -9.427 3.086 1.00 0.00 C ATOM 405 ND1 HIS A 79 1.384 -10.168 4.150 1.00 0.00 N ATOM 406 CD2 HIS A 79 2.059 -9.046 2.405 1.00 0.00 C ATOM 407 CE1 HIS A 79 2.706 -10.174 4.149 1.00 0.00 C ATOM 408 NE2 HIS A 79 3.141 -9.550 3.067 1.00 0.00 N ATOM 0 H HIS A 79 -1.482 -7.120 3.754 1.00 0.00 H new ATOM 0 HA HIS A 79 0.170 -7.560 1.588 1.00 0.00 H new ATOM 0 HB2 HIS A 79 -1.030 -9.101 3.770 1.00 0.00 H new ATOM 0 HB3 HIS A 79 -0.918 -10.057 2.305 1.00 0.00 H new ATOM 0 HD2 HIS A 79 2.081 -8.452 1.503 1.00 0.00 H new ATOM 0 HE1 HIS A 79 3.331 -10.618 4.910 1.00 0.00 H new ATOM 0 HE2 HIS A 79 4.115 -9.461 2.778 1.00 0.00 H new ATOM 417 N ASP A 80 -2.951 -8.746 1.229 1.00 0.00 N ATOM 418 CA ASP A 80 -3.849 -9.283 0.244 1.00 0.00 C ATOM 419 C ASP A 80 -4.454 -8.134 -0.513 1.00 0.00 C ATOM 420 O ASP A 80 -4.978 -8.311 -1.610 1.00 0.00 O ATOM 421 CB ASP A 80 -4.989 -10.111 0.851 1.00 0.00 C ATOM 422 CG ASP A 80 -4.387 -11.091 1.850 1.00 0.00 C ATOM 423 OD1 ASP A 80 -3.928 -10.630 2.931 1.00 0.00 O ATOM 424 OD2 ASP A 80 -4.355 -12.309 1.534 1.00 0.00 O ATOM 0 H ASP A 80 -3.318 -8.726 2.180 1.00 0.00 H new ATOM 0 HA ASP A 80 -3.271 -9.948 -0.398 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -5.710 -9.460 1.345 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -5.527 -10.648 0.069 1.00 0.00 H new ATOM 429 N CYS A 81 -4.359 -6.917 0.055 1.00 0.00 N ATOM 430 CA CYS A 81 -4.937 -5.762 -0.567 1.00 0.00 C ATOM 431 C CYS A 81 -3.952 -5.246 -1.586 1.00 0.00 C ATOM 432 O CYS A 81 -4.312 -4.506 -2.500 1.00 0.00 O ATOM 433 CB CYS A 81 -5.196 -4.660 0.477 1.00 0.00 C ATOM 434 SG CYS A 81 -6.434 -3.484 -0.161 1.00 0.00 S ATOM 0 H CYS A 81 -3.885 -6.732 0.939 1.00 0.00 H new ATOM 0 HA CYS A 81 -5.885 -6.031 -1.033 1.00 0.00 H new ATOM 0 HB2 CYS A 81 -5.549 -5.104 1.408 1.00 0.00 H new ATOM 0 HB3 CYS A 81 -4.267 -4.137 0.705 1.00 0.00 H new ATOM 0 HG CYS A 81 -6.227 -3.280 -1.428 1.00 0.00 H new ATOM 440 N LEU A 82 -2.675 -5.656 -1.457 1.00 0.00 N ATOM 441 CA LEU A 82 -1.634 -5.093 -2.261 1.00 0.00 C ATOM 442 C LEU A 82 -1.260 -6.070 -3.279 1.00 0.00 C ATOM 443 O LEU A 82 -1.013 -5.734 -4.422 1.00 0.00 O ATOM 444 CB LEU A 82 -0.396 -4.892 -1.402 1.00 0.00 C ATOM 445 CG LEU A 82 -0.234 -3.433 -1.064 1.00 0.00 C ATOM 446 CD1 LEU A 82 -1.506 -2.801 -0.497 1.00 0.00 C ATOM 447 CD2 LEU A 82 1.195 -2.968 -0.774 1.00 0.00 C ATOM 0 H LEU A 82 -2.366 -6.373 -0.800 1.00 0.00 H new ATOM 0 HA LEU A 82 -1.980 -4.155 -2.694 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -0.479 -5.479 -0.487 1.00 0.00 H new ATOM 0 HB3 LEU A 82 0.486 -5.251 -1.932 1.00 0.00 H new ATOM 0 HG LEU A 82 -0.220 -2.780 -1.936 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -1.322 -1.750 -0.275 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -2.310 -2.882 -1.229 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -1.794 -3.320 0.417 1.00 0.00 H new ATOM 0 HD21 LEU A 82 1.191 -1.903 -0.543 1.00 0.00 H new ATOM 0 HD22 LEU A 82 1.592 -3.522 0.076 1.00 0.00 H new ATOM 0 HD23 LEU A 82 1.821 -3.148 -1.648 1.00 0.00 H new ATOM 459 N MET A 83 -1.106 -7.300 -2.815 1.00 0.00 N ATOM 460 CA MET A 83 -0.838 -8.435 -3.641 1.00 0.00 C ATOM 461 C MET A 83 -1.907 -8.503 -4.679 1.00 0.00 C ATOM 462 O MET A 83 -1.701 -9.144 -5.686 1.00 0.00 O ATOM 463 CB MET A 83 -0.977 -9.622 -2.697 1.00 0.00 C ATOM 464 CG MET A 83 -1.214 -10.959 -3.384 1.00 0.00 C ATOM 465 SD MET A 83 0.360 -11.603 -4.035 1.00 0.00 S ATOM 466 CE MET A 83 1.076 -12.266 -2.498 1.00 0.00 C ATOM 0 H MET A 83 -1.168 -7.528 -1.823 1.00 0.00 H new ATOM 0 HA MET A 83 0.135 -8.405 -4.132 1.00 0.00 H new ATOM 0 HB2 MET A 83 -0.073 -9.695 -2.092 1.00 0.00 H new ATOM 0 HB3 MET A 83 -1.803 -9.429 -2.013 1.00 0.00 H new ATOM 0 HG2 MET A 83 -1.645 -11.670 -2.679 1.00 0.00 H new ATOM 0 HG3 MET A 83 -1.932 -10.840 -4.195 1.00 0.00 H new ATOM 0 HE1 MET A 83 2.044 -12.719 -2.713 1.00 0.00 H new ATOM 0 HE2 MET A 83 1.206 -11.457 -1.779 1.00 0.00 H new ATOM 0 HE3 MET A 83 0.407 -13.019 -2.080 1.00 0.00 H new ATOM 476 N LYS A 84 -3.029 -7.816 -4.408 1.00 0.00 N ATOM 477 CA LYS A 84 -4.080 -7.658 -5.351 1.00 0.00 C ATOM 478 C LYS A 84 -3.717 -6.513 -6.276 1.00 0.00 C ATOM 479 O LYS A 84 -3.868 -6.615 -7.494 1.00 0.00 O ATOM 480 CB LYS A 84 -5.270 -7.316 -4.475 1.00 0.00 C ATOM 481 CG LYS A 84 -6.376 -6.580 -5.198 1.00 0.00 C ATOM 482 CD LYS A 84 -6.121 -5.081 -5.330 1.00 0.00 C ATOM 483 CE LYS A 84 -7.407 -4.269 -5.421 1.00 0.00 C ATOM 484 NZ LYS A 84 -7.876 -3.934 -4.081 1.00 0.00 N ATOM 0 H LYS A 84 -3.206 -7.361 -3.512 1.00 0.00 H new ATOM 0 HA LYS A 84 -4.274 -8.526 -5.981 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -5.675 -8.237 -4.055 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -4.929 -6.706 -3.638 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -6.498 -7.009 -6.192 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -7.314 -6.736 -4.666 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -5.541 -4.739 -4.473 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -5.517 -4.897 -6.218 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -7.233 -3.358 -5.994 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -8.170 -4.838 -5.952 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -8.579 -3.170 -4.140 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -8.311 -4.772 -3.646 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -7.072 -3.620 -3.500 1.00 0.00 H new ATOM 498 N ALA A 85 -3.210 -5.388 -5.717 1.00 0.00 N ATOM 499 CA ALA A 85 -2.995 -4.199 -6.513 1.00 0.00 C ATOM 500 C ALA A 85 -1.728 -4.356 -7.304 1.00 0.00 C ATOM 501 O ALA A 85 -1.380 -3.495 -8.109 1.00 0.00 O ATOM 502 CB ALA A 85 -2.722 -3.098 -5.475 1.00 0.00 C ATOM 0 H ALA A 85 -2.952 -5.298 -4.734 1.00 0.00 H new ATOM 0 HA ALA A 85 -3.831 -3.998 -7.182 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -2.546 -2.152 -5.986 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -3.584 -2.999 -4.815 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -1.843 -3.362 -4.887 1.00 0.00 H new ATOM 508 N LEU A 86 -0.977 -5.437 -7.051 1.00 0.00 N ATOM 509 CA LEU A 86 0.294 -5.625 -7.690 1.00 0.00 C ATOM 510 C LEU A 86 0.223 -6.921 -8.372 1.00 0.00 C ATOM 511 O LEU A 86 1.048 -7.229 -9.213 1.00 0.00 O ATOM 512 CB LEU A 86 1.366 -5.745 -6.628 1.00 0.00 C ATOM 513 CG LEU A 86 1.361 -4.554 -5.674 1.00 0.00 C ATOM 514 CD1 LEU A 86 1.641 -4.920 -4.245 1.00 0.00 C ATOM 515 CD2 LEU A 86 2.011 -3.309 -6.259 1.00 0.00 C ATOM 0 H LEU A 86 -1.243 -6.182 -6.407 1.00 0.00 H new ATOM 0 HA LEU A 86 0.518 -4.800 -8.366 1.00 0.00 H new ATOM 0 HB2 LEU A 86 1.214 -6.664 -6.062 1.00 0.00 H new ATOM 0 HB3 LEU A 86 2.343 -5.823 -7.106 1.00 0.00 H new ATOM 0 HG LEU A 86 0.331 -4.210 -5.577 1.00 0.00 H new ATOM 0 HD11 LEU A 86 1.621 -4.021 -3.629 1.00 0.00 H new ATOM 0 HD12 LEU A 86 0.882 -5.619 -3.893 1.00 0.00 H new ATOM 0 HD13 LEU A 86 2.624 -5.386 -4.175 1.00 0.00 H new ATOM 0 HD21 LEU A 86 1.973 -2.501 -5.528 1.00 0.00 H new ATOM 0 HD22 LEU A 86 3.050 -3.524 -6.508 1.00 0.00 H new ATOM 0 HD23 LEU A 86 1.476 -3.009 -7.160 1.00 0.00 H new ATOM 527 N LYS A 87 -0.752 -7.731 -7.942 1.00 0.00 N ATOM 528 CA LYS A 87 -1.123 -8.917 -8.668 1.00 0.00 C ATOM 529 C LYS A 87 -1.500 -8.496 -10.054 1.00 0.00 C ATOM 530 O LYS A 87 -1.134 -9.147 -11.031 1.00 0.00 O ATOM 531 CB LYS A 87 -2.425 -9.506 -8.122 1.00 0.00 C ATOM 532 CG LYS A 87 -2.334 -10.989 -7.791 1.00 0.00 C ATOM 533 CD LYS A 87 -2.840 -11.885 -8.925 1.00 0.00 C ATOM 534 CE LYS A 87 -1.752 -12.770 -9.543 1.00 0.00 C ATOM 535 NZ LYS A 87 -0.715 -11.941 -10.153 1.00 0.00 N ATOM 0 H LYS A 87 -1.290 -7.572 -7.090 1.00 0.00 H new ATOM 0 HA LYS A 87 -0.295 -9.623 -8.605 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -2.712 -8.959 -7.224 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -3.218 -9.354 -8.855 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -1.298 -11.243 -7.569 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -2.912 -11.191 -6.889 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -3.640 -12.520 -8.545 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -3.273 -11.259 -9.705 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -1.313 -13.409 -8.776 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -2.190 -13.428 -10.293 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -0.317 -12.434 -10.977 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -1.128 -11.036 -10.457 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 0.039 -11.762 -9.459 1.00 0.00 H new ATOM 549 N VAL A 88 -2.306 -7.421 -10.108 1.00 0.00 N ATOM 550 CA VAL A 88 -2.862 -6.927 -11.337 1.00 0.00 C ATOM 551 C VAL A 88 -1.728 -6.412 -12.195 1.00 0.00 C ATOM 552 O VAL A 88 -1.849 -6.317 -13.414 1.00 0.00 O ATOM 553 CB VAL A 88 -3.850 -5.795 -11.009 1.00 0.00 C ATOM 554 CG1 VAL A 88 -3.215 -4.614 -10.277 1.00 0.00 C ATOM 555 CG2 VAL A 88 -4.535 -5.156 -12.204 1.00 0.00 C ATOM 0 H VAL A 88 -2.579 -6.883 -9.286 1.00 0.00 H new ATOM 0 HA VAL A 88 -3.392 -7.713 -11.875 1.00 0.00 H new ATOM 0 HB VAL A 88 -4.568 -6.336 -10.393 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -3.974 -3.857 -10.081 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -2.791 -4.956 -9.333 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -2.426 -4.185 -10.894 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -5.209 -4.371 -11.860 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -3.784 -4.725 -12.866 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -5.104 -5.912 -12.744 1.00 0.00 H new ATOM 565 N ARG A 89 -0.575 -6.114 -11.563 1.00 0.00 N ATOM 566 CA ARG A 89 0.574 -5.659 -12.287 1.00 0.00 C ATOM 567 C ARG A 89 1.397 -6.858 -12.629 1.00 0.00 C ATOM 568 O ARG A 89 1.881 -6.997 -13.751 1.00 0.00 O ATOM 569 CB ARG A 89 1.388 -4.749 -11.373 1.00 0.00 C ATOM 570 CG ARG A 89 0.575 -3.566 -10.864 1.00 0.00 C ATOM 571 CD ARG A 89 1.432 -2.357 -10.502 1.00 0.00 C ATOM 572 NE ARG A 89 0.662 -1.125 -10.852 1.00 0.00 N ATOM 573 CZ ARG A 89 0.425 -0.800 -12.154 1.00 0.00 C ATOM 574 NH1 ARG A 89 0.926 -1.551 -13.155 1.00 0.00 N ATOM 575 NH2 ARG A 89 -0.280 0.313 -12.454 1.00 0.00 N ATOM 0 H ARG A 89 -0.439 -6.188 -10.555 1.00 0.00 H new ATOM 0 HA ARG A 89 0.283 -5.120 -13.189 1.00 0.00 H new ATOM 0 HB2 ARG A 89 1.757 -5.326 -10.525 1.00 0.00 H new ATOM 0 HB3 ARG A 89 2.261 -4.382 -11.913 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -0.148 -3.275 -11.627 1.00 0.00 H new ATOM 0 HG3 ARG A 89 0.006 -3.875 -9.987 1.00 0.00 H new ATOM 0 HD2 ARG A 89 1.674 -2.366 -9.439 1.00 0.00 H new ATOM 0 HD3 ARG A 89 2.377 -2.383 -11.045 1.00 0.00 H new ATOM 0 HE ARG A 89 0.310 -0.521 -10.109 1.00 0.00 H new ATOM 0 HH11 ARG A 89 1.490 -2.374 -12.942 1.00 0.00 H new ATOM 0 HH12 ARG A 89 0.741 -1.297 -14.125 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -0.634 0.909 -11.706 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -0.458 0.557 -13.428 1.00 0.00 H new ATOM 589 N GLY A 90 1.604 -7.721 -11.625 1.00 0.00 N ATOM 590 CA GLY A 90 2.365 -8.927 -11.804 1.00 0.00 C ATOM 591 C GLY A 90 3.605 -8.804 -10.972 1.00 0.00 C ATOM 592 O GLY A 90 4.660 -9.321 -11.331 1.00 0.00 O ATOM 0 H GLY A 90 1.244 -7.589 -10.680 1.00 0.00 H new ATOM 0 HA2 GLY A 90 1.783 -9.797 -11.499 1.00 0.00 H new ATOM 0 HA3 GLY A 90 2.620 -9.067 -12.854 1.00 0.00 H new ATOM 596 N LEU A 91 3.491 -8.130 -9.810 1.00 0.00 N ATOM 597 CA LEU A 91 4.645 -7.863 -8.999 1.00 0.00 C ATOM 598 C LEU A 91 4.514 -8.687 -7.747 1.00 0.00 C ATOM 599 O LEU A 91 3.527 -9.391 -7.540 1.00 0.00 O ATOM 600 CB LEU A 91 4.707 -6.381 -8.596 1.00 0.00 C ATOM 601 CG LEU A 91 5.302 -5.458 -9.668 1.00 0.00 C ATOM 602 CD1 LEU A 91 6.706 -4.948 -9.319 1.00 0.00 C ATOM 603 CD2 LEU A 91 5.281 -6.043 -11.086 1.00 0.00 C ATOM 0 H LEU A 91 2.612 -7.773 -9.435 1.00 0.00 H new ATOM 0 HA LEU A 91 5.547 -8.107 -9.560 1.00 0.00 H new ATOM 0 HB2 LEU A 91 3.700 -6.039 -8.358 1.00 0.00 H new ATOM 0 HB3 LEU A 91 5.299 -6.289 -7.685 1.00 0.00 H new ATOM 0 HG LEU A 91 4.626 -4.603 -9.670 1.00 0.00 H new ATOM 0 HD11 LEU A 91 7.067 -4.301 -10.119 1.00 0.00 H new ATOM 0 HD12 LEU A 91 6.667 -4.385 -8.387 1.00 0.00 H new ATOM 0 HD13 LEU A 91 7.382 -5.795 -9.204 1.00 0.00 H new ATOM 0 HD21 LEU A 91 5.719 -5.327 -11.781 1.00 0.00 H new ATOM 0 HD22 LEU A 91 5.857 -6.968 -11.106 1.00 0.00 H new ATOM 0 HD23 LEU A 91 4.252 -6.250 -11.379 1.00 0.00 H new ATOM 615 N GLN A 92 5.541 -8.622 -6.872 1.00 0.00 N ATOM 616 CA GLN A 92 5.537 -9.413 -5.673 1.00 0.00 C ATOM 617 C GLN A 92 5.572 -8.458 -4.507 1.00 0.00 C ATOM 618 O GLN A 92 6.240 -7.423 -4.548 1.00 0.00 O ATOM 619 CB GLN A 92 6.766 -10.328 -5.582 1.00 0.00 C ATOM 620 CG GLN A 92 7.087 -11.060 -6.893 1.00 0.00 C ATOM 621 CD GLN A 92 6.213 -12.307 -6.981 1.00 0.00 C ATOM 622 OE1 GLN A 92 6.707 -13.433 -6.920 1.00 0.00 O ATOM 623 NE2 GLN A 92 4.874 -12.123 -7.171 1.00 0.00 N ATOM 0 H GLN A 92 6.363 -8.030 -6.992 1.00 0.00 H new ATOM 0 HA GLN A 92 4.649 -10.045 -5.671 1.00 0.00 H new ATOM 0 HB2 GLN A 92 7.630 -9.733 -5.287 1.00 0.00 H new ATOM 0 HB3 GLN A 92 6.603 -11.064 -4.795 1.00 0.00 H new ATOM 0 HG2 GLN A 92 6.902 -10.407 -7.746 1.00 0.00 H new ATOM 0 HG3 GLN A 92 8.141 -11.334 -6.925 1.00 0.00 H new ATOM 0 HE21 GLN A 92 4.491 -11.179 -7.218 1.00 0.00 H new ATOM 0 HE22 GLN A 92 4.257 -12.930 -7.266 1.00 0.00 H new ATOM 632 N PRO A 93 4.907 -8.892 -3.441 1.00 0.00 N ATOM 633 CA PRO A 93 4.885 -7.889 -2.392 1.00 0.00 C ATOM 634 C PRO A 93 5.702 -8.478 -1.269 1.00 0.00 C ATOM 635 O PRO A 93 6.116 -7.766 -0.357 1.00 0.00 O ATOM 636 CB PRO A 93 3.449 -7.854 -1.916 1.00 0.00 C ATOM 637 CG PRO A 93 2.845 -9.186 -2.328 1.00 0.00 C ATOM 638 CD PRO A 93 3.652 -9.625 -3.540 1.00 0.00 C ATOM 0 HA PRO A 93 5.248 -6.909 -2.703 1.00 0.00 H new ATOM 0 HB2 PRO A 93 3.398 -7.719 -0.836 1.00 0.00 H new ATOM 0 HB3 PRO A 93 2.907 -7.023 -2.367 1.00 0.00 H new ATOM 0 HG2 PRO A 93 2.914 -9.917 -1.522 1.00 0.00 H new ATOM 0 HG3 PRO A 93 1.788 -9.081 -2.574 1.00 0.00 H new ATOM 0 HD2 PRO A 93 3.822 -10.702 -3.533 1.00 0.00 H new ATOM 0 HD3 PRO A 93 3.130 -9.391 -4.468 1.00 0.00 H new ATOM 646 N GLU A 94 5.967 -9.803 -1.296 1.00 0.00 N ATOM 647 CA GLU A 94 6.440 -10.481 -0.117 1.00 0.00 C ATOM 648 C GLU A 94 7.874 -10.098 0.120 1.00 0.00 C ATOM 649 O GLU A 94 8.413 -10.320 1.203 1.00 0.00 O ATOM 650 CB GLU A 94 6.379 -12.013 -0.216 1.00 0.00 C ATOM 651 CG GLU A 94 4.985 -12.552 -0.562 1.00 0.00 C ATOM 652 CD GLU A 94 4.945 -12.859 -2.055 1.00 0.00 C ATOM 653 OE1 GLU A 94 5.441 -12.010 -2.847 1.00 0.00 O ATOM 654 OE2 GLU A 94 4.389 -13.925 -2.423 1.00 0.00 O ATOM 0 H GLU A 94 5.857 -10.397 -2.118 1.00 0.00 H new ATOM 0 HA GLU A 94 5.783 -10.176 0.697 1.00 0.00 H new ATOM 0 HB2 GLU A 94 7.087 -12.348 -0.974 1.00 0.00 H new ATOM 0 HB3 GLU A 94 6.700 -12.443 0.733 1.00 0.00 H new ATOM 0 HG2 GLU A 94 4.772 -13.451 0.016 1.00 0.00 H new ATOM 0 HG3 GLU A 94 4.220 -11.819 -0.305 1.00 0.00 H new ATOM 661 N CYS A 95 8.530 -9.500 -0.892 1.00 0.00 N ATOM 662 CA CYS A 95 9.929 -9.208 -0.775 1.00 0.00 C ATOM 663 C CYS A 95 10.073 -7.731 -0.550 1.00 0.00 C ATOM 664 O CYS A 95 11.166 -7.177 -0.662 1.00 0.00 O ATOM 665 CB CYS A 95 10.690 -9.547 -2.061 1.00 0.00 C ATOM 666 SG CYS A 95 10.707 -11.353 -2.303 1.00 0.00 S ATOM 0 H CYS A 95 8.103 -9.222 -1.776 1.00 0.00 H new ATOM 0 HA CYS A 95 10.336 -9.802 0.044 1.00 0.00 H new ATOM 0 HB2 CYS A 95 10.218 -9.060 -2.914 1.00 0.00 H new ATOM 0 HB3 CYS A 95 11.710 -9.168 -2.002 1.00 0.00 H new ATOM 0 HG CYS A 95 11.351 -11.638 -3.396 1.00 0.00 H new ATOM 672 N CYS A 96 8.969 -7.054 -0.179 1.00 0.00 N ATOM 673 CA CYS A 96 8.972 -5.621 -0.182 1.00 0.00 C ATOM 674 C CYS A 96 8.348 -5.151 1.101 1.00 0.00 C ATOM 675 O CYS A 96 7.801 -5.937 1.874 1.00 0.00 O ATOM 676 CB CYS A 96 8.106 -5.079 -1.326 1.00 0.00 C ATOM 677 SG CYS A 96 8.885 -5.466 -2.927 1.00 0.00 S ATOM 0 H CYS A 96 8.093 -7.486 0.117 1.00 0.00 H new ATOM 0 HA CYS A 96 9.998 -5.272 -0.297 1.00 0.00 H new ATOM 0 HB2 CYS A 96 7.110 -5.519 -1.280 1.00 0.00 H new ATOM 0 HB3 CYS A 96 7.983 -4.001 -1.222 1.00 0.00 H new ATOM 0 HG CYS A 96 8.145 -5.006 -3.892 1.00 0.00 H new ATOM 683 N ALA A 97 8.421 -3.822 1.330 1.00 0.00 N ATOM 684 CA ALA A 97 7.749 -3.207 2.436 1.00 0.00 C ATOM 685 C ALA A 97 6.873 -2.145 1.861 1.00 0.00 C ATOM 686 O ALA A 97 7.251 -1.453 0.922 1.00 0.00 O ATOM 687 CB ALA A 97 8.696 -2.516 3.436 1.00 0.00 C ATOM 0 H ALA A 97 8.948 -3.173 0.746 1.00 0.00 H new ATOM 0 HA ALA A 97 7.218 -3.989 2.979 1.00 0.00 H new ATOM 0 HB1 ALA A 97 8.113 -2.075 4.244 1.00 0.00 H new ATOM 0 HB2 ALA A 97 9.389 -3.250 3.848 1.00 0.00 H new ATOM 0 HB3 ALA A 97 9.257 -1.734 2.925 1.00 0.00 H new ATOM 693 N VAL A 98 5.682 -1.969 2.455 1.00 0.00 N ATOM 694 CA VAL A 98 4.763 -0.974 1.992 1.00 0.00 C ATOM 695 C VAL A 98 4.753 0.124 3.014 1.00 0.00 C ATOM 696 O VAL A 98 5.017 -0.096 4.198 1.00 0.00 O ATOM 697 CB VAL A 98 3.351 -1.552 1.857 1.00 0.00 C ATOM 698 CG1 VAL A 98 2.959 -2.434 3.037 1.00 0.00 C ATOM 699 CG2 VAL A 98 2.259 -0.505 1.625 1.00 0.00 C ATOM 0 H VAL A 98 5.354 -2.512 3.253 1.00 0.00 H new ATOM 0 HA VAL A 98 5.069 -0.610 1.011 1.00 0.00 H new ATOM 0 HB VAL A 98 3.413 -2.164 0.957 1.00 0.00 H new ATOM 0 HG11 VAL A 98 1.949 -2.815 2.886 1.00 0.00 H new ATOM 0 HG12 VAL A 98 3.655 -3.270 3.114 1.00 0.00 H new ATOM 0 HG13 VAL A 98 2.993 -1.849 3.956 1.00 0.00 H new ATOM 0 HG21 VAL A 98 1.292 -1.001 1.541 1.00 0.00 H new ATOM 0 HG22 VAL A 98 2.238 0.191 2.463 1.00 0.00 H new ATOM 0 HG23 VAL A 98 2.468 0.041 0.705 1.00 0.00 H new ATOM 709 N PHE A 99 4.432 1.348 2.559 1.00 0.00 N ATOM 710 CA PHE A 99 4.550 2.502 3.397 1.00 0.00 C ATOM 711 C PHE A 99 3.448 3.439 3.027 1.00 0.00 C ATOM 712 O PHE A 99 2.923 3.396 1.914 1.00 0.00 O ATOM 713 CB PHE A 99 5.817 3.327 3.126 1.00 0.00 C ATOM 714 CG PHE A 99 6.990 2.589 3.673 1.00 0.00 C ATOM 715 CD1 PHE A 99 7.531 1.513 2.989 1.00 0.00 C ATOM 716 CD2 PHE A 99 7.726 3.091 4.758 1.00 0.00 C ATOM 717 CE1 PHE A 99 8.840 1.136 3.191 1.00 0.00 C ATOM 718 CE2 PHE A 99 9.019 2.688 4.981 1.00 0.00 C ATOM 719 CZ PHE A 99 9.605 1.793 4.124 1.00 0.00 C ATOM 0 H PHE A 99 4.092 1.539 1.616 1.00 0.00 H new ATOM 0 HA PHE A 99 4.546 2.138 4.424 1.00 0.00 H new ATOM 0 HB2 PHE A 99 5.939 3.492 2.056 1.00 0.00 H new ATOM 0 HB3 PHE A 99 5.736 4.309 3.593 1.00 0.00 H new ATOM 0 HD1 PHE A 99 6.919 0.963 2.289 1.00 0.00 H new ATOM 0 HD2 PHE A 99 7.268 3.805 5.427 1.00 0.00 H new ATOM 0 HE1 PHE A 99 9.264 0.325 2.617 1.00 0.00 H new ATOM 0 HE2 PHE A 99 9.571 3.073 5.826 1.00 0.00 H new ATOM 0 HZ PHE A 99 10.667 1.605 4.182 1.00 0.00 H new ATOM 729 N ARG A 100 3.185 4.399 3.932 1.00 0.00 N ATOM 730 CA ARG A 100 2.512 5.606 3.557 1.00 0.00 C ATOM 731 C ARG A 100 3.595 6.593 3.216 1.00 0.00 C ATOM 732 O ARG A 100 4.698 6.527 3.753 1.00 0.00 O ATOM 733 CB ARG A 100 1.695 6.181 4.716 1.00 0.00 C ATOM 734 CG ARG A 100 0.254 5.665 4.754 1.00 0.00 C ATOM 735 CD ARG A 100 -0.362 5.655 6.158 1.00 0.00 C ATOM 736 NE ARG A 100 -1.158 6.909 6.325 1.00 0.00 N ATOM 737 CZ ARG A 100 -0.562 8.075 6.701 1.00 0.00 C ATOM 738 NH1 ARG A 100 0.709 8.091 7.150 1.00 0.00 N ATOM 739 NH2 ARG A 100 -1.291 9.210 6.769 1.00 0.00 N ATOM 0 H ARG A 100 3.436 4.341 4.919 1.00 0.00 H new ATOM 0 HA ARG A 100 1.829 5.409 2.731 1.00 0.00 H new ATOM 0 HB2 ARG A 100 2.187 5.934 5.657 1.00 0.00 H new ATOM 0 HB3 ARG A 100 1.683 7.268 4.639 1.00 0.00 H new ATOM 0 HG2 ARG A 100 -0.361 6.285 4.102 1.00 0.00 H new ATOM 0 HG3 ARG A 100 0.229 4.653 4.349 1.00 0.00 H new ATOM 0 HD2 ARG A 100 -0.999 4.780 6.288 1.00 0.00 H new ATOM 0 HD3 ARG A 100 0.419 5.596 6.916 1.00 0.00 H new ATOM 0 HE ARG A 100 -2.164 6.892 6.155 1.00 0.00 H new ATOM 0 HH11 ARG A 100 1.239 7.222 7.212 1.00 0.00 H new ATOM 0 HH12 ARG A 100 1.141 8.972 7.428 1.00 0.00 H new ATOM 0 HH21 ARG A 100 -2.285 9.192 6.539 1.00 0.00 H new ATOM 0 HH22 ARG A 100 -0.848 10.085 7.050 1.00 0.00 H new ATOM 753 N LEU A 101 3.303 7.550 2.317 1.00 0.00 N ATOM 754 CA LEU A 101 4.321 8.451 1.853 1.00 0.00 C ATOM 755 C LEU A 101 4.432 9.576 2.845 1.00 0.00 C ATOM 756 O LEU A 101 4.058 9.454 4.013 1.00 0.00 O ATOM 757 CB LEU A 101 3.958 9.043 0.479 1.00 0.00 C ATOM 758 CG LEU A 101 4.121 8.050 -0.674 1.00 0.00 C ATOM 759 CD1 LEU A 101 3.118 6.906 -0.624 1.00 0.00 C ATOM 760 CD2 LEU A 101 4.023 8.702 -2.059 1.00 0.00 C ATOM 0 H LEU A 101 2.378 7.702 1.914 1.00 0.00 H new ATOM 0 HA LEU A 101 5.260 7.906 1.756 1.00 0.00 H new ATOM 0 HB2 LEU A 101 2.926 9.393 0.504 1.00 0.00 H new ATOM 0 HB3 LEU A 101 4.586 9.914 0.290 1.00 0.00 H new ATOM 0 HG LEU A 101 5.128 7.658 -0.532 1.00 0.00 H new ATOM 0 HD11 LEU A 101 3.286 6.237 -1.468 1.00 0.00 H new ATOM 0 HD12 LEU A 101 3.243 6.353 0.307 1.00 0.00 H new ATOM 0 HD13 LEU A 101 2.106 7.307 -0.675 1.00 0.00 H new ATOM 0 HD21 LEU A 101 4.148 7.941 -2.829 1.00 0.00 H new ATOM 0 HD22 LEU A 101 3.047 9.175 -2.170 1.00 0.00 H new ATOM 0 HD23 LEU A 101 4.805 9.455 -2.163 1.00 0.00 H new ATOM 772 N LEU A 102 4.962 10.729 2.387 1.00 0.00 N ATOM 773 CA LEU A 102 5.238 11.815 3.273 1.00 0.00 C ATOM 774 C LEU A 102 3.983 12.624 3.434 1.00 0.00 C ATOM 775 O LEU A 102 3.873 13.750 2.954 1.00 0.00 O ATOM 776 CB LEU A 102 6.412 12.688 2.833 1.00 0.00 C ATOM 777 CG LEU A 102 6.634 12.726 1.321 1.00 0.00 C ATOM 778 CD1 LEU A 102 7.372 11.495 0.755 1.00 0.00 C ATOM 779 CD2 LEU A 102 5.399 13.174 0.532 1.00 0.00 C ATOM 0 H LEU A 102 5.197 10.905 1.410 1.00 0.00 H new ATOM 0 HA LEU A 102 5.549 11.397 4.230 1.00 0.00 H new ATOM 0 HB2 LEU A 102 6.248 13.705 3.190 1.00 0.00 H new ATOM 0 HB3 LEU A 102 7.320 12.324 3.313 1.00 0.00 H new ATOM 0 HG LEU A 102 7.351 13.531 1.158 1.00 0.00 H new ATOM 0 HD11 LEU A 102 7.487 11.604 -0.323 1.00 0.00 H new ATOM 0 HD12 LEU A 102 8.355 11.415 1.219 1.00 0.00 H new ATOM 0 HD13 LEU A 102 6.796 10.595 0.969 1.00 0.00 H new ATOM 0 HD21 LEU A 102 5.629 13.177 -0.533 1.00 0.00 H new ATOM 0 HD22 LEU A 102 4.576 12.486 0.723 1.00 0.00 H new ATOM 0 HD23 LEU A 102 5.112 14.178 0.844 1.00 0.00 H new ATOM 791 N HIS A 103 3.008 12.077 4.186 1.00 0.00 N ATOM 792 CA HIS A 103 1.799 12.801 4.449 1.00 0.00 C ATOM 793 C HIS A 103 1.920 13.383 5.827 1.00 0.00 C ATOM 794 O HIS A 103 1.113 14.213 6.239 1.00 0.00 O ATOM 795 CB HIS A 103 0.537 11.929 4.359 1.00 0.00 C ATOM 796 CG HIS A 103 0.160 11.592 2.945 1.00 0.00 C ATOM 797 ND1 HIS A 103 -1.063 11.066 2.614 1.00 0.00 N ATOM 798 CD2 HIS A 103 0.792 11.866 1.781 1.00 0.00 C ATOM 799 CE1 HIS A 103 -1.170 11.045 1.296 1.00 0.00 C ATOM 800 NE2 HIS A 103 -0.052 11.510 0.765 1.00 0.00 N ATOM 0 H HIS A 103 3.054 11.149 4.606 1.00 0.00 H new ATOM 0 HA HIS A 103 1.683 13.572 3.687 1.00 0.00 H new ATOM 0 HB2 HIS A 103 0.698 11.006 4.917 1.00 0.00 H new ATOM 0 HB3 HIS A 103 -0.293 12.449 4.837 1.00 0.00 H new ATOM 0 HD1 HIS A 103 -1.771 10.745 3.274 1.00 0.00 H new ATOM 0 HD2 HIS A 103 1.780 12.288 1.674 1.00 0.00 H new ATOM 0 HE1 HIS A 103 -2.032 10.703 0.742 1.00 0.00 H new ATOM 0 HE2 HIS A 103 0.147 11.590 -0.232 1.00 0.00 H new ATOM 809 N GLU A 104 2.966 12.966 6.569 1.00 0.00 N ATOM 810 CA GLU A 104 3.225 13.541 7.858 1.00 0.00 C ATOM 811 C GLU A 104 4.710 13.705 7.974 1.00 0.00 C ATOM 812 O GLU A 104 5.268 13.701 9.072 1.00 0.00 O ATOM 813 CB GLU A 104 2.767 12.664 9.035 1.00 0.00 C ATOM 814 CG GLU A 104 1.247 12.459 9.102 1.00 0.00 C ATOM 815 CD GLU A 104 0.871 11.315 8.167 1.00 0.00 C ATOM 816 OE1 GLU A 104 1.621 10.301 8.116 1.00 0.00 O ATOM 817 OE2 GLU A 104 -0.201 11.403 7.511 1.00 0.00 O ATOM 0 H GLU A 104 3.624 12.241 6.282 1.00 0.00 H new ATOM 0 HA GLU A 104 2.669 14.476 7.918 1.00 0.00 H new ATOM 0 HB2 GLU A 104 3.252 11.691 8.961 1.00 0.00 H new ATOM 0 HB3 GLU A 104 3.104 13.118 9.967 1.00 0.00 H new ATOM 0 HG2 GLU A 104 0.940 12.230 10.123 1.00 0.00 H new ATOM 0 HG3 GLU A 104 0.728 13.372 8.811 1.00 0.00 H new ATOM 824 N HIS A 105 5.404 13.819 6.824 1.00 0.00 N ATOM 825 CA HIS A 105 6.833 13.929 6.850 1.00 0.00 C ATOM 826 C HIS A 105 7.219 14.893 5.773 1.00 0.00 C ATOM 827 O HIS A 105 6.370 15.369 5.021 1.00 0.00 O ATOM 828 CB HIS A 105 7.572 12.604 6.589 1.00 0.00 C ATOM 829 CG HIS A 105 6.778 11.389 6.974 1.00 0.00 C ATOM 830 ND1 HIS A 105 6.424 11.124 8.269 1.00 0.00 N ATOM 831 CD2 HIS A 105 6.369 10.340 6.232 1.00 0.00 C ATOM 832 CE1 HIS A 105 5.789 9.963 8.299 1.00 0.00 C ATOM 833 NE2 HIS A 105 5.745 9.465 7.074 1.00 0.00 N ATOM 0 H HIS A 105 4.986 13.835 5.894 1.00 0.00 H new ATOM 0 HA HIS A 105 7.118 14.252 7.851 1.00 0.00 H new ATOM 0 HB2 HIS A 105 7.827 12.542 5.531 1.00 0.00 H new ATOM 0 HB3 HIS A 105 8.511 12.605 7.143 1.00 0.00 H new ATOM 0 HD1 HIS A 105 6.617 11.720 9.074 1.00 0.00 H new ATOM 0 HD2 HIS A 105 6.509 10.215 5.168 1.00 0.00 H new ATOM 0 HE1 HIS A 105 5.374 9.498 9.181 1.00 0.00 H new ATOM 842 N LYS A 106 8.533 15.168 5.656 1.00 0.00 N ATOM 843 CA LYS A 106 9.001 16.074 4.649 1.00 0.00 C ATOM 844 C LYS A 106 9.502 15.251 3.510 1.00 0.00 C ATOM 845 O LYS A 106 9.310 15.592 2.346 1.00 0.00 O ATOM 846 CB LYS A 106 10.160 16.938 5.154 1.00 0.00 C ATOM 847 CG LYS A 106 9.734 17.993 6.181 1.00 0.00 C ATOM 848 CD LYS A 106 9.005 19.189 5.560 1.00 0.00 C ATOM 849 CE LYS A 106 8.504 20.201 6.594 1.00 0.00 C ATOM 850 NZ LYS A 106 7.824 21.305 5.925 1.00 0.00 N ATOM 0 H LYS A 106 9.262 14.770 6.249 1.00 0.00 H new ATOM 0 HA LYS A 106 8.183 16.735 4.362 1.00 0.00 H new ATOM 0 HB2 LYS A 106 10.916 16.292 5.601 1.00 0.00 H new ATOM 0 HB3 LYS A 106 10.628 17.437 4.305 1.00 0.00 H new ATOM 0 HG2 LYS A 106 9.085 17.526 6.922 1.00 0.00 H new ATOM 0 HG3 LYS A 106 10.617 18.351 6.711 1.00 0.00 H new ATOM 0 HD2 LYS A 106 9.677 19.693 4.865 1.00 0.00 H new ATOM 0 HD3 LYS A 106 8.158 18.826 4.978 1.00 0.00 H new ATOM 0 HE2 LYS A 106 7.823 19.713 7.292 1.00 0.00 H new ATOM 0 HE3 LYS A 106 9.342 20.580 7.179 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 7.488 21.987 6.635 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 8.485 21.778 5.277 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 7.014 20.938 5.386 1.00 0.00 H new ATOM 864 N GLY A 107 10.161 14.133 3.841 1.00 0.00 N ATOM 865 CA GLY A 107 10.737 13.293 2.831 1.00 0.00 C ATOM 866 C GLY A 107 11.069 11.983 3.468 1.00 0.00 C ATOM 867 O GLY A 107 12.227 11.576 3.501 1.00 0.00 O ATOM 0 H GLY A 107 10.298 13.807 4.798 1.00 0.00 H new ATOM 0 HA2 GLY A 107 10.038 13.152 2.006 1.00 0.00 H new ATOM 0 HA3 GLY A 107 11.633 13.754 2.414 1.00 0.00 H new ATOM 871 N LYS A 108 10.038 11.281 3.976 1.00 0.00 N ATOM 872 CA LYS A 108 10.231 9.964 4.475 1.00 0.00 C ATOM 873 C LYS A 108 8.975 9.236 4.161 1.00 0.00 C ATOM 874 O LYS A 108 8.034 9.806 3.611 1.00 0.00 O ATOM 875 CB LYS A 108 10.448 9.917 5.990 1.00 0.00 C ATOM 876 CG LYS A 108 11.805 10.476 6.422 1.00 0.00 C ATOM 877 CD LYS A 108 12.462 9.675 7.547 1.00 0.00 C ATOM 878 CE LYS A 108 11.737 9.798 8.891 1.00 0.00 C ATOM 879 NZ LYS A 108 12.433 9.018 9.909 1.00 0.00 N ATOM 0 H LYS A 108 9.080 11.627 4.039 1.00 0.00 H new ATOM 0 HA LYS A 108 11.123 9.533 4.021 1.00 0.00 H new ATOM 0 HB2 LYS A 108 9.656 10.482 6.482 1.00 0.00 H new ATOM 0 HB3 LYS A 108 10.362 8.885 6.331 1.00 0.00 H new ATOM 0 HG2 LYS A 108 12.473 10.494 5.561 1.00 0.00 H new ATOM 0 HG3 LYS A 108 11.677 11.508 6.748 1.00 0.00 H new ATOM 0 HD2 LYS A 108 12.501 8.624 7.259 1.00 0.00 H new ATOM 0 HD3 LYS A 108 13.492 10.011 7.667 1.00 0.00 H new ATOM 0 HE2 LYS A 108 11.689 10.844 9.193 1.00 0.00 H new ATOM 0 HE3 LYS A 108 10.710 9.447 8.792 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 11.934 9.108 10.817 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 12.457 8.018 9.624 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 13.406 9.371 10.012 1.00 0.00 H new ATOM 893 N LYS A 109 8.922 7.965 4.556 1.00 0.00 N ATOM 894 CA LYS A 109 7.777 7.161 4.304 1.00 0.00 C ATOM 895 C LYS A 109 7.471 6.481 5.592 1.00 0.00 C ATOM 896 O LYS A 109 8.370 6.010 6.288 1.00 0.00 O ATOM 897 CB LYS A 109 8.107 6.133 3.224 1.00 0.00 C ATOM 898 CG LYS A 109 8.057 6.680 1.801 1.00 0.00 C ATOM 899 CD LYS A 109 7.403 5.706 0.830 1.00 0.00 C ATOM 900 CE LYS A 109 8.279 4.489 0.530 1.00 0.00 C ATOM 901 NZ LYS A 109 9.436 4.894 -0.263 1.00 0.00 N ATOM 0 H LYS A 109 9.674 7.488 5.053 1.00 0.00 H new ATOM 0 HA LYS A 109 6.928 7.748 3.955 1.00 0.00 H new ATOM 0 HB2 LYS A 109 9.103 5.733 3.412 1.00 0.00 H new ATOM 0 HB3 LYS A 109 7.408 5.300 3.306 1.00 0.00 H new ATOM 0 HG2 LYS A 109 7.506 7.621 1.795 1.00 0.00 H new ATOM 0 HG3 LYS A 109 9.069 6.901 1.463 1.00 0.00 H new ATOM 0 HD2 LYS A 109 6.452 5.370 1.245 1.00 0.00 H new ATOM 0 HD3 LYS A 109 7.179 6.225 -0.102 1.00 0.00 H new ATOM 0 HE2 LYS A 109 8.609 4.029 1.461 1.00 0.00 H new ATOM 0 HE3 LYS A 109 7.702 3.738 -0.010 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 9.963 4.050 -0.564 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 9.116 5.419 -1.101 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 10.055 5.502 0.311 1.00 0.00 H new ATOM 915 N ALA A 110 6.187 6.505 5.984 1.00 0.00 N ATOM 916 CA ALA A 110 5.791 5.914 7.231 1.00 0.00 C ATOM 917 C ALA A 110 5.531 4.476 6.962 1.00 0.00 C ATOM 918 O ALA A 110 4.688 4.130 6.138 1.00 0.00 O ATOM 919 CB ALA A 110 4.565 6.486 7.944 1.00 0.00 C ATOM 0 H ALA A 110 5.428 6.927 5.449 1.00 0.00 H new ATOM 0 HA ALA A 110 6.613 6.127 7.915 1.00 0.00 H new ATOM 0 HB1 ALA A 110 4.393 5.936 8.869 1.00 0.00 H new ATOM 0 HB2 ALA A 110 4.735 7.538 8.173 1.00 0.00 H new ATOM 0 HB3 ALA A 110 3.692 6.392 7.298 1.00 0.00 H new ATOM 925 N ARG A 111 6.290 3.596 7.638 1.00 0.00 N ATOM 926 CA ARG A 111 6.287 2.226 7.266 1.00 0.00 C ATOM 927 C ARG A 111 5.190 1.576 8.020 1.00 0.00 C ATOM 928 O ARG A 111 4.898 1.935 9.160 1.00 0.00 O ATOM 929 CB ARG A 111 7.613 1.624 7.673 1.00 0.00 C ATOM 930 CG ARG A 111 7.842 0.214 7.147 1.00 0.00 C ATOM 931 CD ARG A 111 7.664 -0.834 8.236 1.00 0.00 C ATOM 932 NE ARG A 111 8.377 -2.073 7.801 1.00 0.00 N ATOM 933 CZ ARG A 111 7.785 -2.953 6.944 1.00 0.00 C ATOM 934 NH1 ARG A 111 6.462 -2.893 6.693 1.00 0.00 N ATOM 935 NH2 ARG A 111 8.479 -4.015 6.477 1.00 0.00 N ATOM 0 H ARG A 111 6.893 3.831 8.426 1.00 0.00 H new ATOM 0 HA ARG A 111 6.144 2.094 6.194 1.00 0.00 H new ATOM 0 HB2 ARG A 111 8.417 2.268 7.317 1.00 0.00 H new ATOM 0 HB3 ARG A 111 7.675 1.609 8.761 1.00 0.00 H new ATOM 0 HG2 ARG A 111 7.146 0.013 6.333 1.00 0.00 H new ATOM 0 HG3 ARG A 111 8.847 0.140 6.733 1.00 0.00 H new ATOM 0 HD2 ARG A 111 8.068 -0.474 9.182 1.00 0.00 H new ATOM 0 HD3 ARG A 111 6.606 -1.040 8.399 1.00 0.00 H new ATOM 0 HE ARG A 111 9.317 -2.263 8.149 1.00 0.00 H new ATOM 0 HH11 ARG A 111 5.889 -2.182 7.147 1.00 0.00 H new ATOM 0 HH12 ARG A 111 6.034 -3.559 6.049 1.00 0.00 H new ATOM 0 HH21 ARG A 111 9.447 -4.159 6.766 1.00 0.00 H new ATOM 0 HH22 ARG A 111 8.035 -4.673 5.836 1.00 0.00 H new ATOM 949 N LEU A 112 4.556 0.593 7.374 1.00 0.00 N ATOM 950 CA LEU A 112 3.285 0.128 7.833 1.00 0.00 C ATOM 951 C LEU A 112 3.394 -1.334 8.074 1.00 0.00 C ATOM 952 O LEU A 112 4.488 -1.887 8.172 1.00 0.00 O ATOM 953 CB LEU A 112 2.190 0.333 6.789 1.00 0.00 C ATOM 954 CG LEU A 112 2.067 1.777 6.311 1.00 0.00 C ATOM 955 CD1 LEU A 112 1.101 1.936 5.140 1.00 0.00 C ATOM 956 CD2 LEU A 112 1.662 2.750 7.421 1.00 0.00 C ATOM 0 H LEU A 112 4.913 0.121 6.543 1.00 0.00 H new ATOM 0 HA LEU A 112 3.023 0.687 8.731 1.00 0.00 H new ATOM 0 HB2 LEU A 112 2.392 -0.309 5.932 1.00 0.00 H new ATOM 0 HB3 LEU A 112 1.235 0.015 7.208 1.00 0.00 H new ATOM 0 HG LEU A 112 3.073 2.031 5.977 1.00 0.00 H new ATOM 0 HD11 LEU A 112 1.056 2.984 4.845 1.00 0.00 H new ATOM 0 HD12 LEU A 112 1.448 1.337 4.298 1.00 0.00 H new ATOM 0 HD13 LEU A 112 0.108 1.600 5.439 1.00 0.00 H new ATOM 0 HD21 LEU A 112 1.593 3.759 7.013 1.00 0.00 H new ATOM 0 HD22 LEU A 112 0.694 2.456 7.828 1.00 0.00 H new ATOM 0 HD23 LEU A 112 2.410 2.730 8.214 1.00 0.00 H new ATOM 968 N ASP A 113 2.225 -1.990 8.151 1.00 0.00 N ATOM 969 CA ASP A 113 2.185 -3.403 8.388 1.00 0.00 C ATOM 970 C ASP A 113 1.768 -4.058 7.115 1.00 0.00 C ATOM 971 O ASP A 113 1.219 -3.429 6.227 1.00 0.00 O ATOM 972 CB ASP A 113 1.238 -3.816 9.525 1.00 0.00 C ATOM 973 CG ASP A 113 1.658 -5.192 10.023 1.00 0.00 C ATOM 974 OD1 ASP A 113 2.703 -5.274 10.719 1.00 0.00 O ATOM 975 OD2 ASP A 113 0.972 -6.182 9.656 1.00 0.00 O ATOM 0 H ASP A 113 1.311 -1.549 8.050 1.00 0.00 H new ATOM 0 HA ASP A 113 3.178 -3.721 8.707 1.00 0.00 H new ATOM 0 HB2 ASP A 113 1.280 -3.090 10.337 1.00 0.00 H new ATOM 0 HB3 ASP A 113 0.207 -3.839 9.171 1.00 0.00 H new ATOM 980 N TRP A 114 2.102 -5.355 6.969 1.00 0.00 N ATOM 981 CA TRP A 114 1.725 -6.085 5.810 1.00 0.00 C ATOM 982 C TRP A 114 0.365 -6.672 6.055 1.00 0.00 C ATOM 983 O TRP A 114 -0.236 -7.279 5.175 1.00 0.00 O ATOM 984 CB TRP A 114 2.757 -7.202 5.538 1.00 0.00 C ATOM 985 CG TRP A 114 3.683 -6.905 4.380 1.00 0.00 C ATOM 986 CD1 TRP A 114 4.976 -7.273 4.140 1.00 0.00 C ATOM 987 CD2 TRP A 114 3.212 -6.297 3.184 1.00 0.00 C ATOM 988 NE1 TRP A 114 5.340 -6.900 2.859 1.00 0.00 N ATOM 989 CE2 TRP A 114 4.252 -6.311 2.251 1.00 0.00 C ATOM 990 CE3 TRP A 114 1.940 -5.960 2.886 1.00 0.00 C ATOM 991 CZ2 TRP A 114 3.972 -5.882 0.970 1.00 0.00 C ATOM 992 CZ3 TRP A 114 1.676 -5.534 1.602 1.00 0.00 C ATOM 993 CH2 TRP A 114 2.649 -5.626 0.632 1.00 0.00 C ATOM 0 H TRP A 114 2.632 -5.891 7.656 1.00 0.00 H new ATOM 0 HA TRP A 114 1.695 -5.433 4.937 1.00 0.00 H new ATOM 0 HB2 TRP A 114 3.353 -7.361 6.437 1.00 0.00 H new ATOM 0 HB3 TRP A 114 2.227 -8.133 5.338 1.00 0.00 H new ATOM 0 HD1 TRP A 114 5.618 -7.780 4.845 1.00 0.00 H new ATOM 0 HE1 TRP A 114 6.258 -7.037 2.436 1.00 0.00 H new ATOM 0 HE3 TRP A 114 1.157 -6.022 3.627 1.00 0.00 H new ATOM 0 HZ2 TRP A 114 4.763 -5.748 0.247 1.00 0.00 H new ATOM 0 HZ3 TRP A 114 0.706 -5.128 1.357 1.00 0.00 H new ATOM 0 HH2 TRP A 114 2.380 -5.497 -0.406 1.00 0.00 H new ATOM 1004 N ASN A 115 -0.204 -6.405 7.241 1.00 0.00 N ATOM 1005 CA ASN A 115 -1.567 -6.764 7.496 1.00 0.00 C ATOM 1006 C ASN A 115 -2.286 -5.498 7.809 1.00 0.00 C ATOM 1007 O ASN A 115 -3.288 -5.498 8.526 1.00 0.00 O ATOM 1008 CB ASN A 115 -1.666 -7.624 8.761 1.00 0.00 C ATOM 1009 CG ASN A 115 -2.731 -8.684 8.543 1.00 0.00 C ATOM 1010 OD1 ASN A 115 -2.425 -9.848 8.283 1.00 0.00 O ATOM 1011 ND2 ASN A 115 -4.011 -8.270 8.652 1.00 0.00 N ATOM 0 H ASN A 115 0.271 -5.946 8.018 1.00 0.00 H new ATOM 0 HA ASN A 115 -1.971 -7.303 6.639 1.00 0.00 H new ATOM 0 HB2 ASN A 115 -0.705 -8.092 8.977 1.00 0.00 H new ATOM 0 HB3 ASN A 115 -1.919 -7.004 9.621 1.00 0.00 H new ATOM 0 HD21 ASN A 115 -4.775 -8.933 8.517 1.00 0.00 H new ATOM 0 HD22 ASN A 115 -4.215 -7.294 8.869 1.00 0.00 H new ATOM 1018 N THR A 116 -1.770 -4.362 7.296 1.00 0.00 N ATOM 1019 CA THR A 116 -2.186 -3.096 7.812 1.00 0.00 C ATOM 1020 C THR A 116 -3.618 -2.859 7.405 1.00 0.00 C ATOM 1021 O THR A 116 -4.099 -3.371 6.391 1.00 0.00 O ATOM 1022 CB THR A 116 -1.216 -1.906 7.636 1.00 0.00 C ATOM 1023 OG1 THR A 116 -0.601 -1.591 8.877 1.00 0.00 O ATOM 1024 CG2 THR A 116 -1.876 -0.545 7.345 1.00 0.00 C ATOM 0 H THR A 116 -1.083 -4.321 6.544 1.00 0.00 H new ATOM 0 HA THR A 116 -2.141 -3.156 8.899 1.00 0.00 H new ATOM 0 HB THR A 116 -0.579 -2.248 6.820 1.00 0.00 H new ATOM 0 HG1 THR A 116 -0.393 -0.634 8.905 1.00 0.00 H new ATOM 0 HG21 THR A 116 -1.105 0.218 7.240 1.00 0.00 H new ATOM 0 HG22 THR A 116 -2.451 -0.610 6.421 1.00 0.00 H new ATOM 0 HG23 THR A 116 -2.540 -0.279 8.168 1.00 0.00 H new ATOM 1032 N ASP A 117 -4.358 -2.136 8.261 1.00 0.00 N ATOM 1033 CA ASP A 117 -5.723 -1.799 7.983 1.00 0.00 C ATOM 1034 C ASP A 117 -5.711 -0.780 6.886 1.00 0.00 C ATOM 1035 O ASP A 117 -5.597 0.421 7.130 1.00 0.00 O ATOM 1036 CB ASP A 117 -6.421 -1.230 9.232 1.00 0.00 C ATOM 1037 CG ASP A 117 -7.922 -1.209 8.984 1.00 0.00 C ATOM 1038 OD1 ASP A 117 -8.480 -2.285 8.648 1.00 0.00 O ATOM 1039 OD2 ASP A 117 -8.521 -0.109 9.105 1.00 0.00 O ATOM 0 H ASP A 117 -4.011 -1.781 9.152 1.00 0.00 H new ATOM 0 HA ASP A 117 -6.277 -2.689 7.685 1.00 0.00 H new ATOM 0 HB2 ASP A 117 -6.191 -1.841 10.105 1.00 0.00 H new ATOM 0 HB3 ASP A 117 -6.058 -0.224 9.442 1.00 0.00 H new ATOM 1044 N ALA A 118 -5.917 -1.272 5.648 1.00 0.00 N ATOM 1045 CA ALA A 118 -5.910 -0.436 4.478 1.00 0.00 C ATOM 1046 C ALA A 118 -7.193 0.335 4.458 1.00 0.00 C ATOM 1047 O ALA A 118 -7.435 1.136 3.562 1.00 0.00 O ATOM 1048 CB ALA A 118 -5.937 -1.422 3.297 1.00 0.00 C ATOM 0 H ALA A 118 -6.090 -2.258 5.454 1.00 0.00 H new ATOM 0 HA ALA A 118 -5.061 0.247 4.446 1.00 0.00 H new ATOM 0 HB1 ALA A 118 -5.934 -0.867 2.359 1.00 0.00 H new ATOM 0 HB2 ALA A 118 -5.059 -2.066 3.341 1.00 0.00 H new ATOM 0 HB3 ALA A 118 -6.838 -2.033 3.354 1.00 0.00 H new ATOM 1054 N ALA A 119 -8.031 0.113 5.484 1.00 0.00 N ATOM 1055 CA ALA A 119 -9.297 0.772 5.576 1.00 0.00 C ATOM 1056 C ALA A 119 -9.177 1.848 6.606 1.00 0.00 C ATOM 1057 O ALA A 119 -10.133 2.578 6.857 1.00 0.00 O ATOM 1058 CB ALA A 119 -10.049 -0.419 6.197 1.00 0.00 C ATOM 0 H ALA A 119 -7.832 -0.526 6.254 1.00 0.00 H new ATOM 0 HA ALA A 119 -9.715 1.222 4.676 1.00 0.00 H new ATOM 0 HB1 ALA A 119 -11.090 -0.143 6.368 1.00 0.00 H new ATOM 0 HB2 ALA A 119 -10.006 -1.270 5.518 1.00 0.00 H new ATOM 0 HB3 ALA A 119 -9.585 -0.688 7.146 1.00 0.00 H new ATOM 1064 N SER A 120 -7.969 2.014 7.181 1.00 0.00 N ATOM 1065 CA SER A 120 -7.708 3.171 7.992 1.00 0.00 C ATOM 1066 C SER A 120 -6.626 3.935 7.321 1.00 0.00 C ATOM 1067 O SER A 120 -6.120 4.920 7.851 1.00 0.00 O ATOM 1068 CB SER A 120 -7.280 2.872 9.435 1.00 0.00 C ATOM 1069 OG SER A 120 -8.304 2.159 10.115 1.00 0.00 O ATOM 0 H SER A 120 -7.188 1.365 7.089 1.00 0.00 H new ATOM 0 HA SER A 120 -8.645 3.722 8.078 1.00 0.00 H new ATOM 0 HB2 SER A 120 -6.359 2.288 9.435 1.00 0.00 H new ATOM 0 HB3 SER A 120 -7.067 3.804 9.959 1.00 0.00 H new ATOM 0 HG SER A 120 -8.112 1.199 10.081 1.00 0.00 H new ATOM 1075 N LEU A 121 -6.272 3.491 6.104 1.00 0.00 N ATOM 1076 CA LEU A 121 -5.528 4.311 5.209 1.00 0.00 C ATOM 1077 C LEU A 121 -6.494 5.265 4.605 1.00 0.00 C ATOM 1078 O LEU A 121 -6.770 6.304 5.194 1.00 0.00 O ATOM 1079 CB LEU A 121 -5.093 3.392 4.081 1.00 0.00 C ATOM 1080 CG LEU A 121 -3.919 2.500 4.456 1.00 0.00 C ATOM 1081 CD1 LEU A 121 -3.541 1.554 3.331 1.00 0.00 C ATOM 1082 CD2 LEU A 121 -2.742 3.303 4.993 1.00 0.00 C ATOM 0 H LEU A 121 -6.501 2.565 5.742 1.00 0.00 H new ATOM 0 HA LEU A 121 -4.696 4.817 5.698 1.00 0.00 H new ATOM 0 HB2 LEU A 121 -5.936 2.767 3.784 1.00 0.00 H new ATOM 0 HB3 LEU A 121 -4.821 3.994 3.214 1.00 0.00 H new ATOM 0 HG LEU A 121 -4.244 1.864 5.280 1.00 0.00 H new ATOM 0 HD11 LEU A 121 -2.699 0.936 3.643 1.00 0.00 H new ATOM 0 HD12 LEU A 121 -4.391 0.915 3.092 1.00 0.00 H new ATOM 0 HD13 LEU A 121 -3.262 2.131 2.449 1.00 0.00 H new ATOM 0 HD21 LEU A 121 -1.926 2.627 5.248 1.00 0.00 H new ATOM 0 HD22 LEU A 121 -2.405 4.007 4.233 1.00 0.00 H new ATOM 0 HD23 LEU A 121 -3.051 3.851 5.883 1.00 0.00 H new ATOM 1094 N ILE A 122 -6.966 4.890 3.402 1.00 0.00 N ATOM 1095 CA ILE A 122 -8.119 5.476 2.807 1.00 0.00 C ATOM 1096 C ILE A 122 -7.934 6.950 2.665 1.00 0.00 C ATOM 1097 O ILE A 122 -8.132 7.736 3.588 1.00 0.00 O ATOM 1098 CB ILE A 122 -9.420 5.068 3.469 1.00 0.00 C ATOM 1099 CG1 ILE A 122 -9.537 3.556 3.696 1.00 0.00 C ATOM 1100 CG2 ILE A 122 -10.580 5.447 2.633 1.00 0.00 C ATOM 1101 CD1 ILE A 122 -9.827 2.754 2.418 1.00 0.00 C ATOM 0 H ILE A 122 -6.534 4.162 2.833 1.00 0.00 H new ATOM 0 HA ILE A 122 -8.219 5.069 1.801 1.00 0.00 H new ATOM 0 HB ILE A 122 -9.418 5.586 4.428 1.00 0.00 H new ATOM 0 HG12 ILE A 122 -8.610 3.192 4.139 1.00 0.00 H new ATOM 0 HG13 ILE A 122 -10.331 3.368 4.419 1.00 0.00 H new ATOM 0 HG21 ILE A 122 -11.501 5.143 3.130 1.00 0.00 H new ATOM 0 HG22 ILE A 122 -10.586 6.527 2.487 1.00 0.00 H new ATOM 0 HG23 ILE A 122 -10.509 4.950 1.665 1.00 0.00 H new ATOM 0 HD11 ILE A 122 -9.895 1.694 2.661 1.00 0.00 H new ATOM 0 HD12 ILE A 122 -10.770 3.088 1.985 1.00 0.00 H new ATOM 0 HD13 ILE A 122 -9.022 2.910 1.700 1.00 0.00 H new ATOM 1113 N GLY A 123 -7.763 7.367 1.404 1.00 0.00 N ATOM 1114 CA GLY A 123 -7.603 8.758 1.088 1.00 0.00 C ATOM 1115 C GLY A 123 -6.160 9.098 1.295 1.00 0.00 C ATOM 1116 O GLY A 123 -5.825 10.221 1.664 1.00 0.00 O ATOM 0 H GLY A 123 -7.734 6.745 0.596 1.00 0.00 H new ATOM 0 HA2 GLY A 123 -7.900 8.955 0.058 1.00 0.00 H new ATOM 0 HA3 GLY A 123 -8.238 9.373 1.726 1.00 0.00 H new ATOM 1120 N GLU A 124 -5.266 8.121 1.048 1.00 0.00 N ATOM 1121 CA GLU A 124 -3.878 8.324 1.306 1.00 0.00 C ATOM 1122 C GLU A 124 -3.138 7.778 0.134 1.00 0.00 C ATOM 1123 O GLU A 124 -3.639 6.918 -0.592 1.00 0.00 O ATOM 1124 CB GLU A 124 -3.391 7.542 2.532 1.00 0.00 C ATOM 1125 CG GLU A 124 -4.206 7.814 3.801 1.00 0.00 C ATOM 1126 CD GLU A 124 -3.631 9.045 4.495 1.00 0.00 C ATOM 1127 OE1 GLU A 124 -3.065 9.936 3.799 1.00 0.00 O ATOM 1128 OE2 GLU A 124 -3.624 9.063 5.755 1.00 0.00 O ATOM 0 H GLU A 124 -5.503 7.202 0.674 1.00 0.00 H new ATOM 0 HA GLU A 124 -3.712 9.387 1.481 1.00 0.00 H new ATOM 0 HB2 GLU A 124 -3.427 6.476 2.309 1.00 0.00 H new ATOM 0 HB3 GLU A 124 -2.347 7.793 2.721 1.00 0.00 H new ATOM 0 HG2 GLU A 124 -5.254 7.977 3.550 1.00 0.00 H new ATOM 0 HG3 GLU A 124 -4.168 6.952 4.467 1.00 0.00 H new ATOM 1135 N GLU A 125 -1.888 8.232 -0.027 1.00 0.00 N ATOM 1136 CA GLU A 125 -1.006 7.646 -0.991 1.00 0.00 C ATOM 1137 C GLU A 125 -0.224 6.599 -0.283 1.00 0.00 C ATOM 1138 O GLU A 125 0.145 6.769 0.880 1.00 0.00 O ATOM 1139 CB GLU A 125 0.015 8.627 -1.579 1.00 0.00 C ATOM 1140 CG GLU A 125 -0.482 9.344 -2.837 1.00 0.00 C ATOM 1141 CD GLU A 125 -0.716 10.809 -2.497 1.00 0.00 C ATOM 1142 OE1 GLU A 125 0.152 11.414 -1.808 1.00 0.00 O ATOM 1143 OE2 GLU A 125 -1.814 11.323 -2.850 1.00 0.00 O ATOM 0 H GLU A 125 -1.484 9.002 0.506 1.00 0.00 H new ATOM 0 HA GLU A 125 -1.623 7.277 -1.811 1.00 0.00 H new ATOM 0 HB2 GLU A 125 0.270 9.370 -0.823 1.00 0.00 H new ATOM 0 HB3 GLU A 125 0.931 8.087 -1.816 1.00 0.00 H new ATOM 0 HG2 GLU A 125 0.251 9.254 -3.639 1.00 0.00 H new ATOM 0 HG3 GLU A 125 -1.404 8.886 -3.195 1.00 0.00 H new ATOM 1150 N LEU A 126 0.099 5.507 -1.002 1.00 0.00 N ATOM 1151 CA LEU A 126 0.961 4.511 -0.449 1.00 0.00 C ATOM 1152 C LEU A 126 1.977 4.155 -1.472 1.00 0.00 C ATOM 1153 O LEU A 126 1.786 4.371 -2.664 1.00 0.00 O ATOM 1154 CB LEU A 126 0.264 3.240 0.021 1.00 0.00 C ATOM 1155 CG LEU A 126 -0.305 3.364 1.431 1.00 0.00 C ATOM 1156 CD1 LEU A 126 -1.731 3.882 1.463 1.00 0.00 C ATOM 1157 CD2 LEU A 126 -0.047 2.130 2.294 1.00 0.00 C ATOM 0 H LEU A 126 -0.230 5.317 -1.948 1.00 0.00 H new ATOM 0 HA LEU A 126 1.400 4.950 0.446 1.00 0.00 H new ATOM 0 HB2 LEU A 126 -0.542 2.996 -0.671 1.00 0.00 H new ATOM 0 HB3 LEU A 126 0.971 2.411 -0.009 1.00 0.00 H new ATOM 0 HG LEU A 126 0.268 4.153 1.918 1.00 0.00 H new ATOM 0 HD11 LEU A 126 -2.072 3.945 2.496 1.00 0.00 H new ATOM 0 HD12 LEU A 126 -1.769 4.871 1.007 1.00 0.00 H new ATOM 0 HD13 LEU A 126 -2.378 3.202 0.908 1.00 0.00 H new ATOM 0 HD21 LEU A 126 -0.477 2.282 3.284 1.00 0.00 H new ATOM 0 HD22 LEU A 126 -0.507 1.258 1.829 1.00 0.00 H new ATOM 0 HD23 LEU A 126 1.027 1.968 2.386 1.00 0.00 H new ATOM 1169 N GLN A 127 3.105 3.602 -0.996 1.00 0.00 N ATOM 1170 CA GLN A 127 4.178 3.241 -1.873 1.00 0.00 C ATOM 1171 C GLN A 127 4.742 1.967 -1.347 1.00 0.00 C ATOM 1172 O GLN A 127 4.597 1.653 -0.168 1.00 0.00 O ATOM 1173 CB GLN A 127 5.313 4.283 -1.904 1.00 0.00 C ATOM 1174 CG GLN A 127 6.165 4.240 -3.184 1.00 0.00 C ATOM 1175 CD GLN A 127 7.622 4.477 -2.806 1.00 0.00 C ATOM 1176 OE1 GLN A 127 8.021 5.600 -2.497 1.00 0.00 O ATOM 1177 NE2 GLN A 127 8.454 3.406 -2.869 1.00 0.00 N ATOM 0 H GLN A 127 3.276 3.405 -0.010 1.00 0.00 H new ATOM 0 HA GLN A 127 3.786 3.163 -2.887 1.00 0.00 H new ATOM 0 HB2 GLN A 127 4.882 5.279 -1.800 1.00 0.00 H new ATOM 0 HB3 GLN A 127 5.962 4.125 -1.042 1.00 0.00 H new ATOM 0 HG2 GLN A 127 6.055 3.275 -3.680 1.00 0.00 H new ATOM 0 HG3 GLN A 127 5.828 5.001 -3.888 1.00 0.00 H new ATOM 0 HE21 GLN A 127 8.088 2.490 -3.129 1.00 0.00 H new ATOM 0 HE22 GLN A 127 9.445 3.517 -2.656 1.00 0.00 H new ATOM 1186 N VAL A 128 5.391 1.192 -2.231 1.00 0.00 N ATOM 1187 CA VAL A 128 6.026 -0.019 -1.807 1.00 0.00 C ATOM 1188 C VAL A 128 7.483 0.135 -2.102 1.00 0.00 C ATOM 1189 O VAL A 128 7.867 0.802 -3.061 1.00 0.00 O ATOM 1190 CB VAL A 128 5.456 -1.266 -2.502 1.00 0.00 C ATOM 1191 CG1 VAL A 128 6.330 -2.515 -2.350 1.00 0.00 C ATOM 1192 CG2 VAL A 128 4.083 -1.682 -1.959 1.00 0.00 C ATOM 0 H VAL A 128 5.477 1.397 -3.226 1.00 0.00 H new ATOM 0 HA VAL A 128 5.845 -0.174 -0.743 1.00 0.00 H new ATOM 0 HB VAL A 128 5.403 -0.949 -3.544 1.00 0.00 H new ATOM 0 HG11 VAL A 128 5.861 -3.352 -2.867 1.00 0.00 H new ATOM 0 HG12 VAL A 128 7.313 -2.326 -2.782 1.00 0.00 H new ATOM 0 HG13 VAL A 128 6.439 -2.757 -1.293 1.00 0.00 H new ATOM 0 HG21 VAL A 128 3.735 -2.568 -2.490 1.00 0.00 H new ATOM 0 HG22 VAL A 128 4.165 -1.905 -0.895 1.00 0.00 H new ATOM 0 HG23 VAL A 128 3.372 -0.869 -2.105 1.00 0.00 H new ATOM 1202 N ASP A 129 8.332 -0.437 -1.230 1.00 0.00 N ATOM 1203 CA ASP A 129 9.749 -0.301 -1.384 1.00 0.00 C ATOM 1204 C ASP A 129 10.351 -1.621 -1.020 1.00 0.00 C ATOM 1205 O ASP A 129 9.643 -2.596 -0.796 1.00 0.00 O ATOM 1206 CB ASP A 129 10.322 0.782 -0.451 1.00 0.00 C ATOM 1207 CG ASP A 129 11.173 1.727 -1.284 1.00 0.00 C ATOM 1208 OD1 ASP A 129 12.152 1.240 -1.907 1.00 0.00 O ATOM 1209 OD2 ASP A 129 10.824 2.938 -1.339 1.00 0.00 O ATOM 0 H ASP A 129 8.042 -0.990 -0.424 1.00 0.00 H new ATOM 0 HA ASP A 129 9.979 -0.007 -2.408 1.00 0.00 H new ATOM 0 HB2 ASP A 129 9.515 1.328 0.038 1.00 0.00 H new ATOM 0 HB3 ASP A 129 10.921 0.326 0.337 1.00 0.00 H new ATOM 1214 N PHE A 130 11.693 -1.670 -0.900 1.00 0.00 N ATOM 1215 CA PHE A 130 12.343 -2.896 -0.533 1.00 0.00 C ATOM 1216 C PHE A 130 12.125 -3.104 0.941 1.00 0.00 C ATOM 1217 O PHE A 130 11.635 -2.217 1.641 1.00 0.00 O ATOM 1218 CB PHE A 130 13.852 -2.923 -0.849 1.00 0.00 C ATOM 1219 CG PHE A 130 14.412 -1.564 -0.582 1.00 0.00 C ATOM 1220 CD1 PHE A 130 14.832 -1.203 0.704 1.00 0.00 C ATOM 1221 CD2 PHE A 130 14.587 -0.645 -1.606 1.00 0.00 C ATOM 1222 CE1 PHE A 130 15.377 0.042 0.950 1.00 0.00 C ATOM 1223 CE2 PHE A 130 15.138 0.602 -1.357 1.00 0.00 C ATOM 1224 CZ PHE A 130 15.529 0.948 -0.081 1.00 0.00 C ATOM 0 H PHE A 130 12.318 -0.879 -1.053 1.00 0.00 H new ATOM 0 HA PHE A 130 11.906 -3.697 -1.129 1.00 0.00 H new ATOM 0 HB2 PHE A 130 14.355 -3.669 -0.234 1.00 0.00 H new ATOM 0 HB3 PHE A 130 14.017 -3.204 -1.889 1.00 0.00 H new ATOM 0 HD1 PHE A 130 14.728 -1.908 1.515 1.00 0.00 H new ATOM 0 HD2 PHE A 130 14.290 -0.905 -2.611 1.00 0.00 H new ATOM 0 HE1 PHE A 130 15.685 0.307 1.951 1.00 0.00 H new ATOM 0 HE2 PHE A 130 15.262 1.306 -2.166 1.00 0.00 H new ATOM 0 HZ PHE A 130 15.952 1.923 0.111 1.00 0.00 H new ATOM 1234 N LEU A 131 12.469 -4.312 1.436 1.00 0.00 N ATOM 1235 CA LEU A 131 12.206 -4.657 2.798 1.00 0.00 C ATOM 1236 C LEU A 131 13.154 -3.904 3.665 1.00 0.00 C ATOM 1237 O LEU A 131 14.282 -4.329 3.903 1.00 0.00 O ATOM 1238 CB LEU A 131 12.347 -6.143 3.106 1.00 0.00 C ATOM 1239 CG LEU A 131 11.051 -6.930 2.905 1.00 0.00 C ATOM 1240 CD1 LEU A 131 11.298 -8.413 2.629 1.00 0.00 C ATOM 1241 CD2 LEU A 131 10.045 -6.740 4.046 1.00 0.00 C ATOM 0 H LEU A 131 12.927 -5.044 0.893 1.00 0.00 H new ATOM 0 HA LEU A 131 11.165 -4.397 2.990 1.00 0.00 H new ATOM 0 HB2 LEU A 131 13.123 -6.567 2.469 1.00 0.00 H new ATOM 0 HB3 LEU A 131 12.680 -6.263 4.137 1.00 0.00 H new ATOM 0 HG LEU A 131 10.597 -6.503 2.011 1.00 0.00 H new ATOM 0 HD11 LEU A 131 10.344 -8.922 2.495 1.00 0.00 H new ATOM 0 HD12 LEU A 131 11.897 -8.520 1.725 1.00 0.00 H new ATOM 0 HD13 LEU A 131 11.830 -8.856 3.471 1.00 0.00 H new ATOM 0 HD21 LEU A 131 9.148 -7.325 3.842 1.00 0.00 H new ATOM 0 HD22 LEU A 131 10.490 -7.074 4.983 1.00 0.00 H new ATOM 0 HD23 LEU A 131 9.780 -5.686 4.126 1.00 0.00 H new ATOM 1253 N ASP A 132 12.660 -2.765 4.163 1.00 0.00 N ATOM 1254 CA ASP A 132 13.265 -2.077 5.271 1.00 0.00 C ATOM 1255 C ASP A 132 14.760 -1.829 4.942 1.00 0.00 C ATOM 1256 O ASP A 132 15.038 -1.108 3.947 1.00 0.00 O ATOM 1257 CB ASP A 132 13.123 -2.815 6.610 1.00 0.00 C ATOM 1258 CG ASP A 132 11.638 -3.001 6.892 1.00 0.00 C ATOM 1259 OD1 ASP A 132 11.016 -2.082 7.489 1.00 0.00 O ATOM 1260 OD2 ASP A 132 11.068 -4.036 6.448 1.00 0.00 O ATOM 1261 OXT ASP A 132 15.625 -2.251 5.756 1.00 0.00 O ATOM 0 H ASP A 132 11.826 -2.306 3.796 1.00 0.00 H new ATOM 0 HA ASP A 132 12.733 -1.134 5.402 1.00 0.00 H new ATOM 0 HB2 ASP A 132 13.626 -3.781 6.568 1.00 0.00 H new ATOM 0 HB3 ASP A 132 13.594 -2.245 7.411 1.00 0.00 H new TER 1266 ASP A 132