USER MOD reduce.3.24.130724 H: found=0, std=0, add=640, rem=0, adj=12 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 77 SER OG : rot 102:sc= 1.21 USER MOD Set 1.2: A 79 HIS : no HD1:sc= -4.64! C(o=-3.4!,f=-10!) USER MOD Set 1.3: A 115 ASN : amide:sc= 0 X(o=-3.4,f=-3.6) USER MOD Set 2.1: A 109 LYS NZ :NH3+ -170:sc= 2.22 (180deg=1.19) USER MOD Set 2.2: A 127 GLN : amide:sc= 3.03 K(o=5.2,f=-4.6) USER MOD Set 3.1: A 76 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 3.2: A 81 CYS SG : rot 180:sc= -0.179 USER MOD Set 4.1: A 55 SER OG : rot -160:sc= 0.0308 USER MOD Set 4.2: A 57 THR OG1 : rot -150:sc= 0.974 USER MOD Single : A 56 ASN : amide:sc= 1.08 K(o=1.1,f=-0.47) USER MOD Single : A 64 ASN : amide:sc=-0.00707 K(o=-0.0071,f=-0.95) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 GLN : amide:sc= -0.288 K(o=-0.29,f=-4.1!) USER MOD Single : A 68 THR OG1 : rot 180:sc= -0.103 USER MOD Single : A 71 ASN : amide:sc= -0.3 K(o=-0.3,f=-1) USER MOD Single : A 74 ASN : amide:sc= 0 X(o=0,f=-0.2) USER MOD Single : A 83 MET CE :methyl -156:sc= -0.106 (180deg=-0.601) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 GLN : amide:sc= -0.451 X(o=-0.45,f=0) USER MOD Single : A 95 CYS SG : rot 180:sc= 0 USER MOD Single : A 96 CYS SG : rot 102:sc= 0.854 USER MOD Single : A 103 HIS : no HD1:sc= 0.854 K(o=0.85,f=-8.2!) USER MOD Single : A 105 HIS : no HE2:sc= -4.39! C(o=-4.4!,f=-4.9!) 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 -51:sc= 0.673 USER MOD Single : A 120 SER OG : rot 101:sc= 1.21 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 55 -12.962 7.968 2.915 1.00 0.00 N ATOM 2 CA SER A 55 -12.759 7.440 1.564 1.00 0.00 C ATOM 3 C SER A 55 -12.906 5.950 1.562 1.00 0.00 C ATOM 4 O SER A 55 -13.259 5.343 2.571 1.00 0.00 O ATOM 5 CB SER A 55 -11.344 7.782 1.063 1.00 0.00 C ATOM 6 OG SER A 55 -11.284 7.684 -0.356 1.00 0.00 O ATOM 0 HA SER A 55 -13.506 7.892 0.912 1.00 0.00 H new ATOM 0 HB2 SER A 55 -11.074 8.791 1.376 1.00 0.00 H new ATOM 0 HB3 SER A 55 -10.618 7.104 1.512 1.00 0.00 H new ATOM 0 HG SER A 55 -10.351 7.587 -0.638 1.00 0.00 H new ATOM 14 N ASN A 56 -12.646 5.338 0.394 1.00 0.00 N ATOM 15 CA ASN A 56 -12.620 3.910 0.293 1.00 0.00 C ATOM 16 C ASN A 56 -11.631 3.584 -0.783 1.00 0.00 C ATOM 17 O ASN A 56 -11.662 2.512 -1.387 1.00 0.00 O ATOM 18 CB ASN A 56 -13.997 3.318 -0.035 1.00 0.00 C ATOM 19 CG ASN A 56 -13.976 1.829 0.294 1.00 0.00 C ATOM 20 OD1 ASN A 56 -13.731 1.435 1.434 1.00 0.00 O ATOM 21 ND2 ASN A 56 -14.220 0.976 -0.735 1.00 0.00 N ATOM 0 H ASN A 56 -12.454 5.829 -0.479 1.00 0.00 H new ATOM 0 HA ASN A 56 -12.337 3.473 1.250 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -14.773 3.822 0.541 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -14.233 3.470 -1.088 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -14.204 -0.032 -0.577 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -14.419 1.343 -1.666 1.00 0.00 H new ATOM 28 N THR A 57 -10.687 4.517 -1.013 1.00 0.00 N ATOM 29 CA THR A 57 -9.741 4.359 -2.076 1.00 0.00 C ATOM 30 C THR A 57 -8.398 4.729 -1.529 1.00 0.00 C ATOM 31 O THR A 57 -8.263 5.696 -0.779 1.00 0.00 O ATOM 32 CB THR A 57 -10.040 5.260 -3.288 1.00 0.00 C ATOM 33 OG1 THR A 57 -9.904 6.633 -2.937 1.00 0.00 O ATOM 34 CG2 THR A 57 -11.476 5.133 -3.804 1.00 0.00 C ATOM 0 H THR A 57 -10.579 5.373 -0.469 1.00 0.00 H new ATOM 0 HA THR A 57 -9.787 3.328 -2.427 1.00 0.00 H new ATOM 0 HB THR A 57 -9.331 4.936 -4.050 1.00 0.00 H new ATOM 0 HG1 THR A 57 -10.512 7.172 -3.484 1.00 0.00 H new ATOM 0 HG21 THR A 57 -11.616 5.796 -4.658 1.00 0.00 H new ATOM 0 HG22 THR A 57 -11.663 4.103 -4.109 1.00 0.00 H new ATOM 0 HG23 THR A 57 -12.173 5.409 -3.013 1.00 0.00 H new ATOM 42 N ILE A 58 -7.363 3.947 -1.890 1.00 0.00 N ATOM 43 CA ILE A 58 -6.020 4.321 -1.553 1.00 0.00 C ATOM 44 C ILE A 58 -5.178 3.993 -2.739 1.00 0.00 C ATOM 45 O ILE A 58 -5.572 3.196 -3.592 1.00 0.00 O ATOM 46 CB ILE A 58 -5.427 3.648 -0.303 1.00 0.00 C ATOM 47 CG1 ILE A 58 -6.472 2.957 0.584 1.00 0.00 C ATOM 48 CG2 ILE A 58 -4.559 4.602 0.542 1.00 0.00 C ATOM 49 CD1 ILE A 58 -6.868 1.561 0.091 1.00 0.00 C ATOM 0 H ILE A 58 -7.451 3.071 -2.406 1.00 0.00 H new ATOM 0 HA ILE A 58 -6.036 5.381 -1.301 1.00 0.00 H new ATOM 0 HB ILE A 58 -4.780 2.869 -0.706 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -6.080 2.878 1.598 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -7.364 3.582 0.635 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -4.170 4.068 1.409 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -3.728 4.969 -0.061 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -5.164 5.445 0.876 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -7.609 1.133 0.766 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -7.290 1.635 -0.911 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -5.987 0.920 0.067 1.00 0.00 H new ATOM 61 N ARG A 59 -3.995 4.626 -2.846 1.00 0.00 N ATOM 62 CA ARG A 59 -3.215 4.467 -4.030 1.00 0.00 C ATOM 63 C ARG A 59 -1.997 3.711 -3.659 1.00 0.00 C ATOM 64 O ARG A 59 -1.515 3.819 -2.541 1.00 0.00 O ATOM 65 CB ARG A 59 -2.823 5.819 -4.609 1.00 0.00 C ATOM 66 CG ARG A 59 -4.033 6.604 -5.115 1.00 0.00 C ATOM 67 CD ARG A 59 -4.222 7.964 -4.431 1.00 0.00 C ATOM 68 NE ARG A 59 -5.635 8.391 -4.666 1.00 0.00 N ATOM 69 CZ ARG A 59 -6.652 7.871 -3.923 1.00 0.00 C ATOM 70 NH1 ARG A 59 -6.424 7.361 -2.696 1.00 0.00 N ATOM 71 NH2 ARG A 59 -7.937 8.130 -4.255 1.00 0.00 N ATOM 0 H ARG A 59 -3.589 5.232 -2.133 1.00 0.00 H new ATOM 0 HA ARG A 59 -3.792 3.937 -4.788 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -2.306 6.403 -3.847 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -2.120 5.671 -5.428 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -3.930 6.760 -6.189 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -4.931 6.005 -4.965 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -4.017 7.888 -3.363 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -3.527 8.698 -4.838 1.00 0.00 H new ATOM 0 HE ARG A 59 -5.840 9.079 -5.390 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -5.479 7.361 -2.311 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -7.196 6.975 -2.152 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -8.147 8.716 -5.063 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -8.696 7.740 -3.697 1.00 0.00 H new ATOM 85 N VAL A 60 -1.494 2.907 -4.609 1.00 0.00 N ATOM 86 CA VAL A 60 -0.330 2.115 -4.349 1.00 0.00 C ATOM 87 C VAL A 60 0.680 2.468 -5.386 1.00 0.00 C ATOM 88 O VAL A 60 0.510 2.137 -6.553 1.00 0.00 O ATOM 89 CB VAL A 60 -0.568 0.602 -4.414 1.00 0.00 C ATOM 90 CG1 VAL A 60 0.601 -0.219 -3.854 1.00 0.00 C ATOM 91 CG2 VAL A 60 -1.872 0.162 -3.731 1.00 0.00 C ATOM 0 H VAL A 60 -1.885 2.804 -5.546 1.00 0.00 H new ATOM 0 HA VAL A 60 -0.008 2.333 -3.331 1.00 0.00 H new ATOM 0 HB VAL A 60 -0.654 0.395 -5.481 1.00 0.00 H new ATOM 0 HG11 VAL A 60 0.369 -1.281 -3.930 1.00 0.00 H new ATOM 0 HG12 VAL A 60 1.504 -0.003 -4.426 1.00 0.00 H new ATOM 0 HG13 VAL A 60 0.762 0.044 -2.808 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -1.979 -0.920 -3.813 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -1.845 0.445 -2.679 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -2.719 0.648 -4.216 1.00 0.00 H new ATOM 101 N PHE A 61 1.769 3.119 -4.945 1.00 0.00 N ATOM 102 CA PHE A 61 2.826 3.503 -5.836 1.00 0.00 C ATOM 103 C PHE A 61 3.870 2.436 -5.739 1.00 0.00 C ATOM 104 O PHE A 61 4.097 1.869 -4.671 1.00 0.00 O ATOM 105 CB PHE A 61 3.465 4.836 -5.424 1.00 0.00 C ATOM 106 CG PHE A 61 2.575 5.943 -5.883 1.00 0.00 C ATOM 107 CD1 PHE A 61 1.309 6.122 -5.341 1.00 0.00 C ATOM 108 CD2 PHE A 61 3.041 6.904 -6.788 1.00 0.00 C ATOM 109 CE1 PHE A 61 0.549 7.232 -5.657 1.00 0.00 C ATOM 110 CE2 PHE A 61 2.289 8.025 -7.084 1.00 0.00 C ATOM 111 CZ PHE A 61 1.047 8.196 -6.504 1.00 0.00 C ATOM 0 H PHE A 61 1.921 3.381 -3.971 1.00 0.00 H new ATOM 0 HA PHE A 61 2.427 3.622 -6.844 1.00 0.00 H new ATOM 0 HB2 PHE A 61 3.595 4.877 -4.343 1.00 0.00 H new ATOM 0 HB3 PHE A 61 4.455 4.936 -5.868 1.00 0.00 H new ATOM 0 HD1 PHE A 61 0.912 5.382 -4.662 1.00 0.00 H new ATOM 0 HD2 PHE A 61 4.002 6.767 -7.262 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -0.440 7.344 -5.238 1.00 0.00 H new ATOM 0 HE2 PHE A 61 2.672 8.767 -7.769 1.00 0.00 H new ATOM 0 HZ PHE A 61 0.468 9.083 -6.714 1.00 0.00 H new ATOM 121 N LEU A 62 4.548 2.114 -6.862 1.00 0.00 N ATOM 122 CA LEU A 62 5.357 0.933 -6.878 1.00 0.00 C ATOM 123 C LEU A 62 6.789 1.334 -6.678 1.00 0.00 C ATOM 124 O LEU A 62 7.153 2.511 -6.725 1.00 0.00 O ATOM 125 CB LEU A 62 5.231 0.172 -8.203 1.00 0.00 C ATOM 126 CG LEU A 62 4.237 -0.990 -8.148 1.00 0.00 C ATOM 127 CD1 LEU A 62 2.795 -0.547 -7.898 1.00 0.00 C ATOM 128 CD2 LEU A 62 4.440 -1.988 -9.275 1.00 0.00 C ATOM 0 H LEU A 62 4.537 2.651 -7.729 1.00 0.00 H new ATOM 0 HA LEU A 62 5.017 0.273 -6.080 1.00 0.00 H new ATOM 0 HB2 LEU A 62 4.922 0.867 -8.984 1.00 0.00 H new ATOM 0 HB3 LEU A 62 6.211 -0.212 -8.487 1.00 0.00 H new ATOM 0 HG LEU A 62 4.470 -1.563 -7.250 1.00 0.00 H new ATOM 0 HD11 LEU A 62 2.145 -1.422 -7.871 1.00 0.00 H new ATOM 0 HD12 LEU A 62 2.736 -0.022 -6.945 1.00 0.00 H new ATOM 0 HD13 LEU A 62 2.475 0.119 -8.700 1.00 0.00 H new ATOM 0 HD21 LEU A 62 3.708 -2.791 -9.186 1.00 0.00 H new ATOM 0 HD22 LEU A 62 4.313 -1.485 -10.234 1.00 0.00 H new ATOM 0 HD23 LEU A 62 5.445 -2.405 -9.215 1.00 0.00 H new ATOM 140 N PRO A 63 7.591 0.280 -6.580 1.00 0.00 N ATOM 141 CA PRO A 63 8.971 0.650 -6.347 1.00 0.00 C ATOM 142 C PRO A 63 9.547 0.885 -7.720 1.00 0.00 C ATOM 143 O PRO A 63 10.665 1.376 -7.860 1.00 0.00 O ATOM 144 CB PRO A 63 9.611 -0.584 -5.749 1.00 0.00 C ATOM 145 CG PRO A 63 8.472 -1.419 -5.176 1.00 0.00 C ATOM 146 CD PRO A 63 7.203 -0.922 -5.864 1.00 0.00 C ATOM 0 HA PRO A 63 9.112 1.519 -5.704 1.00 0.00 H new ATOM 0 HB2 PRO A 63 10.161 -1.143 -6.506 1.00 0.00 H new ATOM 0 HB3 PRO A 63 10.325 -0.314 -4.971 1.00 0.00 H new ATOM 0 HG2 PRO A 63 8.631 -2.480 -5.368 1.00 0.00 H new ATOM 0 HG3 PRO A 63 8.404 -1.297 -4.095 1.00 0.00 H new ATOM 0 HD2 PRO A 63 6.807 -1.674 -6.547 1.00 0.00 H new ATOM 0 HD3 PRO A 63 6.420 -0.709 -5.136 1.00 0.00 H new ATOM 154 N ASN A 64 8.771 0.576 -8.782 1.00 0.00 N ATOM 155 CA ASN A 64 9.192 0.886 -10.117 1.00 0.00 C ATOM 156 C ASN A 64 8.724 2.283 -10.416 1.00 0.00 C ATOM 157 O ASN A 64 8.698 2.697 -11.571 1.00 0.00 O ATOM 158 CB ASN A 64 8.585 -0.051 -11.176 1.00 0.00 C ATOM 159 CG ASN A 64 8.802 -1.491 -10.724 1.00 0.00 C ATOM 160 OD1 ASN A 64 8.068 -2.008 -9.881 1.00 0.00 O ATOM 161 ND2 ASN A 64 9.818 -2.170 -11.318 1.00 0.00 N ATOM 0 H ASN A 64 7.863 0.117 -8.716 1.00 0.00 H new ATOM 0 HA ASN A 64 10.275 0.773 -10.165 1.00 0.00 H new ATOM 0 HB2 ASN A 64 7.521 0.152 -11.297 1.00 0.00 H new ATOM 0 HB3 ASN A 64 9.054 0.117 -12.145 1.00 0.00 H new ATOM 0 HD21 ASN A 64 9.995 -3.143 -11.070 1.00 0.00 H new ATOM 0 HD22 ASN A 64 10.404 -1.706 -12.012 1.00 0.00 H new ATOM 168 N LYS A 65 8.262 2.997 -9.363 1.00 0.00 N ATOM 169 CA LYS A 65 7.851 4.367 -9.495 1.00 0.00 C ATOM 170 C LYS A 65 6.468 4.379 -10.063 1.00 0.00 C ATOM 171 O LYS A 65 5.910 5.440 -10.340 1.00 0.00 O ATOM 172 CB LYS A 65 8.776 5.262 -10.328 1.00 0.00 C ATOM 173 CG LYS A 65 10.258 5.092 -9.979 1.00 0.00 C ATOM 174 CD LYS A 65 10.624 5.618 -8.586 1.00 0.00 C ATOM 175 CE LYS A 65 10.833 4.509 -7.549 1.00 0.00 C ATOM 176 NZ LYS A 65 11.182 5.091 -6.257 1.00 0.00 N ATOM 0 H LYS A 65 8.174 2.622 -8.418 1.00 0.00 H new ATOM 0 HA LYS A 65 7.894 4.802 -8.496 1.00 0.00 H new ATOM 0 HB2 LYS A 65 8.631 5.039 -11.385 1.00 0.00 H new ATOM 0 HB3 LYS A 65 8.492 6.304 -10.180 1.00 0.00 H new ATOM 0 HG2 LYS A 65 10.518 4.035 -10.039 1.00 0.00 H new ATOM 0 HG3 LYS A 65 10.860 5.611 -10.724 1.00 0.00 H new ATOM 0 HD2 LYS A 65 11.535 6.213 -8.659 1.00 0.00 H new ATOM 0 HD3 LYS A 65 9.835 6.285 -8.239 1.00 0.00 H new ATOM 0 HE2 LYS A 65 9.926 3.913 -7.455 1.00 0.00 H new ATOM 0 HE3 LYS A 65 11.624 3.836 -7.879 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 11.322 4.331 -5.560 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 12.060 5.641 -6.350 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 10.414 5.716 -5.939 1.00 0.00 H new ATOM 190 N GLN A 66 5.863 3.182 -10.189 1.00 0.00 N ATOM 191 CA GLN A 66 4.573 3.077 -10.801 1.00 0.00 C ATOM 192 C GLN A 66 3.541 3.300 -9.756 1.00 0.00 C ATOM 193 O GLN A 66 3.836 3.782 -8.670 1.00 0.00 O ATOM 194 CB GLN A 66 4.340 1.726 -11.483 1.00 0.00 C ATOM 195 CG GLN A 66 4.342 1.815 -13.008 1.00 0.00 C ATOM 196 CD GLN A 66 2.965 2.288 -13.451 1.00 0.00 C ATOM 197 OE1 GLN A 66 2.605 3.453 -13.268 1.00 0.00 O ATOM 198 NE2 GLN A 66 2.128 1.342 -13.943 1.00 0.00 N ATOM 0 H GLN A 66 6.261 2.298 -9.872 1.00 0.00 H new ATOM 0 HA GLN A 66 4.511 3.831 -11.586 1.00 0.00 H new ATOM 0 HB2 GLN A 66 5.114 1.027 -11.165 1.00 0.00 H new ATOM 0 HB3 GLN A 66 3.386 1.318 -11.150 1.00 0.00 H new ATOM 0 HG2 GLN A 66 5.111 2.508 -13.349 1.00 0.00 H new ATOM 0 HG3 GLN A 66 4.571 0.844 -13.447 1.00 0.00 H new ATOM 0 HE21 GLN A 66 2.461 0.388 -14.081 1.00 0.00 H new ATOM 0 HE22 GLN A 66 1.165 1.584 -14.175 1.00 0.00 H new ATOM 207 N ARG A 67 2.262 3.099 -10.121 1.00 0.00 N ATOM 208 CA ARG A 67 1.216 3.355 -9.186 1.00 0.00 C ATOM 209 C ARG A 67 -0.047 2.761 -9.719 1.00 0.00 C ATOM 210 O ARG A 67 -0.083 2.252 -10.839 1.00 0.00 O ATOM 211 CB ARG A 67 0.987 4.845 -8.928 1.00 0.00 C ATOM 212 CG ARG A 67 0.860 5.679 -10.205 1.00 0.00 C ATOM 213 CD ARG A 67 2.152 6.407 -10.584 1.00 0.00 C ATOM 214 NE ARG A 67 2.498 6.010 -11.981 1.00 0.00 N ATOM 215 CZ ARG A 67 3.537 6.602 -12.633 1.00 0.00 C ATOM 216 NH1 ARG A 67 4.206 7.627 -12.075 1.00 0.00 N ATOM 217 NH2 ARG A 67 3.881 6.176 -13.869 1.00 0.00 N ATOM 0 H ARG A 67 1.959 2.769 -11.037 1.00 0.00 H new ATOM 0 HA ARG A 67 1.510 2.908 -8.236 1.00 0.00 H new ATOM 0 HB2 ARG A 67 0.081 4.967 -8.334 1.00 0.00 H new ATOM 0 HB3 ARG A 67 1.813 5.233 -8.332 1.00 0.00 H new ATOM 0 HG2 ARG A 67 0.563 5.028 -11.028 1.00 0.00 H new ATOM 0 HG3 ARG A 67 0.063 6.411 -10.075 1.00 0.00 H new ATOM 0 HD2 ARG A 67 2.018 7.487 -10.514 1.00 0.00 H new ATOM 0 HD3 ARG A 67 2.957 6.141 -9.899 1.00 0.00 H new ATOM 0 HE ARG A 67 1.951 5.289 -12.451 1.00 0.00 H new ATOM 0 HH11 ARG A 67 3.937 7.970 -11.153 1.00 0.00 H new ATOM 0 HH12 ARG A 67 4.982 8.061 -12.574 1.00 0.00 H new ATOM 0 HH21 ARG A 67 3.363 5.415 -14.309 1.00 0.00 H new ATOM 0 HH22 ARG A 67 4.658 6.616 -14.362 1.00 0.00 H new ATOM 231 N THR A 68 -1.080 2.757 -8.857 1.00 0.00 N ATOM 232 CA THR A 68 -2.402 2.371 -9.256 1.00 0.00 C ATOM 233 C THR A 68 -3.290 2.685 -8.092 1.00 0.00 C ATOM 234 O THR A 68 -2.805 2.992 -7.002 1.00 0.00 O ATOM 235 CB THR A 68 -2.554 0.887 -9.633 1.00 0.00 C ATOM 236 OG1 THR A 68 -3.846 0.645 -10.176 1.00 0.00 O ATOM 237 CG2 THR A 68 -2.298 -0.086 -8.473 1.00 0.00 C ATOM 0 H THR A 68 -1.000 3.023 -7.876 1.00 0.00 H new ATOM 0 HA THR A 68 -2.660 2.915 -10.165 1.00 0.00 H new ATOM 0 HB THR A 68 -1.781 0.694 -10.377 1.00 0.00 H new ATOM 0 HG1 THR A 68 -3.929 -0.302 -10.413 1.00 0.00 H new ATOM 0 HG21 THR A 68 -2.426 -1.111 -8.823 1.00 0.00 H new ATOM 0 HG22 THR A 68 -1.281 0.048 -8.104 1.00 0.00 H new ATOM 0 HG23 THR A 68 -3.005 0.113 -7.668 1.00 0.00 H new ATOM 245 N VAL A 69 -4.619 2.641 -8.300 1.00 0.00 N ATOM 246 CA VAL A 69 -5.524 2.901 -7.219 1.00 0.00 C ATOM 247 C VAL A 69 -6.182 1.610 -6.872 1.00 0.00 C ATOM 248 O VAL A 69 -6.483 0.792 -7.742 1.00 0.00 O ATOM 249 CB VAL A 69 -6.589 3.964 -7.524 1.00 0.00 C ATOM 250 CG1 VAL A 69 -7.236 3.811 -8.906 1.00 0.00 C ATOM 251 CG2 VAL A 69 -7.651 4.125 -6.417 1.00 0.00 C ATOM 0 H VAL A 69 -5.061 2.431 -9.195 1.00 0.00 H new ATOM 0 HA VAL A 69 -4.944 3.310 -6.391 1.00 0.00 H new ATOM 0 HB VAL A 69 -6.024 4.896 -7.545 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -7.977 4.597 -9.050 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -6.470 3.890 -9.677 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -7.721 2.837 -8.975 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -8.366 4.894 -6.708 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -8.173 3.179 -6.274 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -7.165 4.416 -5.486 1.00 0.00 H new ATOM 261 N VAL A 70 -6.416 1.407 -5.566 1.00 0.00 N ATOM 262 CA VAL A 70 -7.041 0.203 -5.112 1.00 0.00 C ATOM 263 C VAL A 70 -8.184 0.601 -4.236 1.00 0.00 C ATOM 264 O VAL A 70 -8.205 1.696 -3.671 1.00 0.00 O ATOM 265 CB VAL A 70 -6.096 -0.721 -4.332 1.00 0.00 C ATOM 266 CG1 VAL A 70 -4.960 -1.283 -5.190 1.00 0.00 C ATOM 267 CG2 VAL A 70 -5.481 -0.071 -3.081 1.00 0.00 C ATOM 0 H VAL A 70 -6.176 2.069 -4.828 1.00 0.00 H new ATOM 0 HA VAL A 70 -7.364 -0.365 -5.984 1.00 0.00 H new ATOM 0 HB VAL A 70 -6.748 -1.535 -4.016 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -4.328 -1.928 -4.580 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -5.378 -1.860 -6.015 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -4.364 -0.462 -5.587 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -4.826 -0.786 -2.584 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -4.905 0.807 -3.373 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -6.276 0.228 -2.398 1.00 0.00 H new ATOM 277 N ASN A 71 -9.177 -0.300 -4.116 1.00 0.00 N ATOM 278 CA ASN A 71 -10.320 -0.027 -3.297 1.00 0.00 C ATOM 279 C ASN A 71 -10.342 -1.076 -2.235 1.00 0.00 C ATOM 280 O ASN A 71 -9.815 -2.171 -2.424 1.00 0.00 O ATOM 281 CB ASN A 71 -11.647 -0.137 -4.071 1.00 0.00 C ATOM 282 CG ASN A 71 -11.815 1.116 -4.924 1.00 0.00 C ATOM 283 OD1 ASN A 71 -12.634 1.982 -4.619 1.00 0.00 O ATOM 284 ND2 ASN A 71 -11.073 1.187 -6.060 1.00 0.00 N ATOM 0 H ASN A 71 -9.190 -1.208 -4.580 1.00 0.00 H new ATOM 0 HA ASN A 71 -10.237 0.990 -2.914 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -11.645 -1.027 -4.701 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -12.482 -0.238 -3.378 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -11.185 1.978 -6.694 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -10.404 0.449 -6.279 1.00 0.00 H new ATOM 291 N VAL A 72 -10.973 -0.764 -1.088 1.00 0.00 N ATOM 292 CA VAL A 72 -11.083 -1.732 -0.036 1.00 0.00 C ATOM 293 C VAL A 72 -12.465 -2.307 -0.111 1.00 0.00 C ATOM 294 O VAL A 72 -13.439 -1.596 -0.348 1.00 0.00 O ATOM 295 CB VAL A 72 -10.830 -1.146 1.359 1.00 0.00 C ATOM 296 CG1 VAL A 72 -10.806 -2.200 2.474 1.00 0.00 C ATOM 297 CG2 VAL A 72 -9.482 -0.424 1.460 1.00 0.00 C ATOM 0 H VAL A 72 -11.400 0.141 -0.889 1.00 0.00 H new ATOM 0 HA VAL A 72 -10.315 -2.492 -0.178 1.00 0.00 H new ATOM 0 HB VAL A 72 -11.667 -0.461 1.493 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -10.622 -1.713 3.432 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -11.766 -2.716 2.508 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -10.013 -2.921 2.276 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -9.355 -0.029 2.468 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -8.677 -1.125 1.241 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -9.454 0.396 0.743 1.00 0.00 H new ATOM 307 N ARG A 73 -12.575 -3.640 0.049 1.00 0.00 N ATOM 308 CA ARG A 73 -13.844 -4.291 -0.091 1.00 0.00 C ATOM 309 C ARG A 73 -14.438 -4.412 1.284 1.00 0.00 C ATOM 310 O ARG A 73 -14.731 -3.416 1.939 1.00 0.00 O ATOM 311 CB ARG A 73 -13.724 -5.668 -0.769 1.00 0.00 C ATOM 312 CG ARG A 73 -15.068 -6.262 -1.208 1.00 0.00 C ATOM 313 CD ARG A 73 -15.655 -5.591 -2.454 1.00 0.00 C ATOM 314 NE ARG A 73 -16.983 -6.221 -2.719 1.00 0.00 N ATOM 315 CZ ARG A 73 -17.823 -5.699 -3.654 1.00 0.00 C ATOM 316 NH1 ARG A 73 -17.521 -4.548 -4.287 1.00 0.00 N ATOM 317 NH2 ARG A 73 -19.000 -6.309 -3.918 1.00 0.00 N ATOM 0 H ARG A 73 -11.797 -4.260 0.272 1.00 0.00 H new ATOM 0 HA ARG A 73 -14.489 -3.700 -0.741 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -13.075 -5.578 -1.640 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -13.239 -6.360 -0.081 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -14.939 -7.326 -1.405 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -15.780 -6.174 -0.388 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -15.764 -4.518 -2.296 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -14.991 -5.722 -3.309 1.00 0.00 H new ATOM 0 HE ARG A 73 -17.263 -7.050 -2.195 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -16.654 -4.057 -4.067 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -18.159 -4.168 -4.986 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -19.257 -7.159 -3.417 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -19.631 -5.919 -4.618 1.00 0.00 H new ATOM 331 N ASN A 74 -14.591 -5.657 1.778 1.00 0.00 N ATOM 332 CA ASN A 74 -15.194 -5.869 3.063 1.00 0.00 C ATOM 333 C ASN A 74 -14.128 -5.697 4.099 1.00 0.00 C ATOM 334 O ASN A 74 -14.405 -5.680 5.297 1.00 0.00 O ATOM 335 CB ASN A 74 -15.772 -7.281 3.219 1.00 0.00 C ATOM 336 CG ASN A 74 -16.981 -7.403 2.302 1.00 0.00 C ATOM 337 OD1 ASN A 74 -16.878 -7.898 1.180 1.00 0.00 O ATOM 338 ND2 ASN A 74 -18.162 -6.930 2.781 1.00 0.00 N ATOM 0 H ASN A 74 -14.302 -6.508 1.295 1.00 0.00 H new ATOM 0 HA ASN A 74 -16.012 -5.157 3.173 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -15.022 -8.029 2.962 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -16.060 -7.462 4.255 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -19.002 -6.979 2.205 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -18.208 -6.526 3.717 1.00 0.00 H new ATOM 345 N GLY A 75 -12.875 -5.576 3.639 1.00 0.00 N ATOM 346 CA GLY A 75 -11.784 -5.299 4.526 1.00 0.00 C ATOM 347 C GLY A 75 -10.581 -5.994 3.981 1.00 0.00 C ATOM 348 O GLY A 75 -10.182 -7.045 4.476 1.00 0.00 O ATOM 0 H GLY A 75 -12.613 -5.669 2.658 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -11.609 -4.225 4.596 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -12.008 -5.652 5.533 1.00 0.00 H new ATOM 352 N MET A 76 -9.949 -5.397 2.950 1.00 0.00 N ATOM 353 CA MET A 76 -8.745 -5.957 2.420 1.00 0.00 C ATOM 354 C MET A 76 -7.621 -5.538 3.306 1.00 0.00 C ATOM 355 O MET A 76 -7.603 -4.434 3.850 1.00 0.00 O ATOM 356 CB MET A 76 -8.434 -5.436 1.013 1.00 0.00 C ATOM 357 CG MET A 76 -9.008 -6.317 -0.098 1.00 0.00 C ATOM 358 SD MET A 76 -10.049 -5.317 -1.206 1.00 0.00 S ATOM 359 CE MET A 76 -8.934 -5.182 -2.639 1.00 0.00 C ATOM 0 H MET A 76 -10.266 -4.542 2.492 1.00 0.00 H new ATOM 0 HA MET A 76 -8.867 -7.039 2.370 1.00 0.00 H new ATOM 0 HB2 MET A 76 -8.833 -4.427 0.910 1.00 0.00 H new ATOM 0 HB3 MET A 76 -7.353 -5.365 0.890 1.00 0.00 H new ATOM 0 HG2 MET A 76 -8.198 -6.778 -0.663 1.00 0.00 H new ATOM 0 HG3 MET A 76 -9.596 -7.127 0.335 1.00 0.00 H new ATOM 0 HE1 MET A 76 -9.416 -4.595 -3.421 1.00 0.00 H new ATOM 0 HE2 MET A 76 -8.009 -4.692 -2.335 1.00 0.00 H new ATOM 0 HE3 MET A 76 -8.709 -6.178 -3.020 1.00 0.00 H new ATOM 369 N SER A 77 -6.601 -6.407 3.391 1.00 0.00 N ATOM 370 CA SER A 77 -5.437 -6.103 4.166 1.00 0.00 C ATOM 371 C SER A 77 -4.421 -5.589 3.229 1.00 0.00 C ATOM 372 O SER A 77 -4.400 -6.054 2.119 1.00 0.00 O ATOM 373 CB SER A 77 -4.759 -7.355 4.688 1.00 0.00 C ATOM 374 OG SER A 77 -5.720 -8.266 5.201 1.00 0.00 O ATOM 0 H SER A 77 -6.580 -7.315 2.927 1.00 0.00 H new ATOM 0 HA SER A 77 -5.749 -5.437 4.971 1.00 0.00 H new ATOM 0 HB2 SER A 77 -4.192 -7.829 3.887 1.00 0.00 H new ATOM 0 HB3 SER A 77 -4.047 -7.091 5.470 1.00 0.00 H new ATOM 0 HG SER A 77 -5.873 -8.982 4.549 1.00 0.00 H new ATOM 380 N LEU A 78 -3.340 -5.006 3.787 1.00 0.00 N ATOM 381 CA LEU A 78 -2.241 -4.517 3.000 1.00 0.00 C ATOM 382 C LEU A 78 -1.824 -5.580 2.023 1.00 0.00 C ATOM 383 O LEU A 78 -1.815 -5.348 0.824 1.00 0.00 O ATOM 384 CB LEU A 78 -1.058 -4.193 3.911 1.00 0.00 C ATOM 385 CG LEU A 78 -0.885 -2.701 4.170 1.00 0.00 C ATOM 386 CD1 LEU A 78 -0.574 -1.914 2.932 1.00 0.00 C ATOM 387 CD2 LEU A 78 -2.170 -1.999 4.557 1.00 0.00 C ATOM 0 H LEU A 78 -3.226 -4.872 4.792 1.00 0.00 H new ATOM 0 HA LEU A 78 -2.550 -3.617 2.468 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -1.191 -4.707 4.863 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -0.145 -4.585 3.462 1.00 0.00 H new ATOM 0 HG LEU A 78 -0.107 -2.711 4.933 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -0.464 -0.860 3.189 1.00 0.00 H new ATOM 0 HD12 LEU A 78 0.354 -2.279 2.492 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -1.386 -2.029 2.214 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -1.970 -0.941 4.726 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -2.900 -2.107 3.754 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -2.567 -2.443 5.470 1.00 0.00 H new ATOM 399 N HIS A 79 -1.596 -6.807 2.527 1.00 0.00 N ATOM 400 CA HIS A 79 -1.143 -7.892 1.706 1.00 0.00 C ATOM 401 C HIS A 79 -2.158 -8.134 0.623 1.00 0.00 C ATOM 402 O HIS A 79 -1.823 -8.089 -0.544 1.00 0.00 O ATOM 403 CB HIS A 79 -1.075 -9.178 2.532 1.00 0.00 C ATOM 404 CG HIS A 79 0.214 -9.349 3.279 1.00 0.00 C ATOM 405 ND1 HIS A 79 0.235 -9.852 4.553 1.00 0.00 N ATOM 406 CD2 HIS A 79 1.475 -9.485 2.805 1.00 0.00 C ATOM 407 CE1 HIS A 79 1.445 -10.319 4.810 1.00 0.00 C ATOM 408 NE2 HIS A 79 2.206 -10.146 3.747 1.00 0.00 N ATOM 0 H HIS A 79 -1.726 -7.050 3.509 1.00 0.00 H new ATOM 0 HA HIS A 79 -0.164 -7.639 1.300 1.00 0.00 H new ATOM 0 HB2 HIS A 79 -1.901 -9.186 3.244 1.00 0.00 H new ATOM 0 HB3 HIS A 79 -1.217 -10.032 1.870 1.00 0.00 H new ATOM 0 HD2 HIS A 79 1.837 -9.133 1.851 1.00 0.00 H new ATOM 0 HE1 HIS A 79 1.759 -10.769 5.740 1.00 0.00 H new ATOM 0 HE2 HIS A 79 3.173 -10.453 3.647 1.00 0.00 H new ATOM 417 N ASP A 80 -3.437 -8.350 0.997 1.00 0.00 N ATOM 418 CA ASP A 80 -4.431 -8.769 0.042 1.00 0.00 C ATOM 419 C ASP A 80 -4.775 -7.590 -0.831 1.00 0.00 C ATOM 420 O ASP A 80 -5.256 -7.747 -1.950 1.00 0.00 O ATOM 421 CB ASP A 80 -5.740 -9.199 0.726 1.00 0.00 C ATOM 422 CG ASP A 80 -5.396 -10.102 1.902 1.00 0.00 C ATOM 423 OD1 ASP A 80 -4.855 -11.210 1.660 1.00 0.00 O ATOM 424 OD2 ASP A 80 -5.650 -9.675 3.063 1.00 0.00 O ATOM 0 H ASP A 80 -3.783 -8.237 1.950 1.00 0.00 H new ATOM 0 HA ASP A 80 -4.019 -9.609 -0.517 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -6.293 -8.325 1.069 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -6.382 -9.725 0.019 1.00 0.00 H new ATOM 429 N CYS A 81 -4.508 -6.376 -0.321 1.00 0.00 N ATOM 430 CA CYS A 81 -4.989 -5.177 -0.936 1.00 0.00 C ATOM 431 C CYS A 81 -3.913 -4.683 -1.868 1.00 0.00 C ATOM 432 O CYS A 81 -4.154 -3.823 -2.715 1.00 0.00 O ATOM 433 CB CYS A 81 -5.253 -4.118 0.154 1.00 0.00 C ATOM 434 SG CYS A 81 -6.543 -2.957 -0.408 1.00 0.00 S ATOM 0 H CYS A 81 -3.956 -6.223 0.523 1.00 0.00 H new ATOM 0 HA CYS A 81 -5.914 -5.363 -1.481 1.00 0.00 H new ATOM 0 HB2 CYS A 81 -5.567 -4.604 1.078 1.00 0.00 H new ATOM 0 HB3 CYS A 81 -4.334 -3.575 0.376 1.00 0.00 H new ATOM 0 HG CYS A 81 -6.761 -2.070 0.517 1.00 0.00 H new ATOM 440 N LEU A 82 -2.696 -5.242 -1.721 1.00 0.00 N ATOM 441 CA LEU A 82 -1.569 -4.816 -2.505 1.00 0.00 C ATOM 442 C LEU A 82 -1.240 -5.920 -3.409 1.00 0.00 C ATOM 443 O LEU A 82 -0.764 -5.689 -4.509 1.00 0.00 O ATOM 444 CB LEU A 82 -0.334 -4.705 -1.625 1.00 0.00 C ATOM 445 CG LEU A 82 -0.284 -3.423 -0.806 1.00 0.00 C ATOM 446 CD1 LEU A 82 0.859 -2.493 -1.218 1.00 0.00 C ATOM 447 CD2 LEU A 82 -1.571 -2.599 -0.884 1.00 0.00 C ATOM 0 H LEU A 82 -2.490 -5.990 -1.059 1.00 0.00 H new ATOM 0 HA LEU A 82 -1.813 -3.873 -2.994 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -0.301 -5.560 -0.949 1.00 0.00 H new ATOM 0 HB3 LEU A 82 0.556 -4.761 -2.253 1.00 0.00 H new ATOM 0 HG LEU A 82 -0.134 -3.783 0.212 1.00 0.00 H new ATOM 0 HD11 LEU A 82 0.841 -1.597 -0.597 1.00 0.00 H new ATOM 0 HD12 LEU A 82 1.811 -3.006 -1.086 1.00 0.00 H new ATOM 0 HD13 LEU A 82 0.740 -2.212 -2.264 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -1.465 -1.700 -0.277 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -1.760 -2.317 -1.920 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -2.406 -3.192 -0.511 1.00 0.00 H new ATOM 459 N MET A 83 -1.384 -7.142 -2.881 1.00 0.00 N ATOM 460 CA MET A 83 -1.337 -8.337 -3.666 1.00 0.00 C ATOM 461 C MET A 83 -2.111 -8.080 -4.915 1.00 0.00 C ATOM 462 O MET A 83 -1.561 -8.216 -5.979 1.00 0.00 O ATOM 463 CB MET A 83 -2.042 -9.430 -2.861 1.00 0.00 C ATOM 464 CG MET A 83 -2.433 -10.640 -3.691 1.00 0.00 C ATOM 465 SD MET A 83 -2.976 -11.988 -2.592 1.00 0.00 S ATOM 466 CE MET A 83 -1.364 -12.503 -1.919 1.00 0.00 C ATOM 0 H MET A 83 -1.537 -7.308 -1.886 1.00 0.00 H new ATOM 0 HA MET A 83 -0.316 -8.633 -3.906 1.00 0.00 H new ATOM 0 HB2 MET A 83 -1.388 -9.752 -2.051 1.00 0.00 H new ATOM 0 HB3 MET A 83 -2.937 -9.011 -2.401 1.00 0.00 H new ATOM 0 HG2 MET A 83 -3.234 -10.376 -4.382 1.00 0.00 H new ATOM 0 HG3 MET A 83 -1.587 -10.968 -4.294 1.00 0.00 H new ATOM 0 HE1 MET A 83 -1.424 -13.538 -1.583 1.00 0.00 H new ATOM 0 HE2 MET A 83 -0.602 -12.417 -2.694 1.00 0.00 H new ATOM 0 HE3 MET A 83 -1.100 -11.863 -1.077 1.00 0.00 H new ATOM 476 N LYS A 84 -3.279 -7.431 -4.759 1.00 0.00 N ATOM 477 CA LYS A 84 -4.049 -6.944 -5.845 1.00 0.00 C ATOM 478 C LYS A 84 -3.149 -6.286 -6.870 1.00 0.00 C ATOM 479 O LYS A 84 -3.088 -6.709 -8.022 1.00 0.00 O ATOM 480 CB LYS A 84 -4.894 -5.864 -5.175 1.00 0.00 C ATOM 481 CG LYS A 84 -5.887 -5.223 -6.113 1.00 0.00 C ATOM 482 CD LYS A 84 -6.356 -6.200 -7.179 1.00 0.00 C ATOM 483 CE LYS A 84 -7.654 -5.781 -7.871 1.00 0.00 C ATOM 484 NZ LYS A 84 -7.428 -4.584 -8.677 1.00 0.00 N ATOM 0 H LYS A 84 -3.694 -7.243 -3.847 1.00 0.00 H new ATOM 0 HA LYS A 84 -4.616 -7.720 -6.358 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -5.429 -6.301 -4.332 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -4.236 -5.095 -4.771 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -6.745 -4.862 -5.546 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -5.432 -4.354 -6.589 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -5.573 -6.308 -7.930 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -6.498 -7.180 -6.723 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -8.017 -6.592 -8.503 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -8.426 -5.587 -7.127 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -8.315 -4.307 -9.143 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -7.102 -3.809 -8.064 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -6.705 -4.782 -9.398 1.00 0.00 H new ATOM 498 N ALA A 85 -2.405 -5.245 -6.457 1.00 0.00 N ATOM 499 CA ALA A 85 -1.813 -4.336 -7.406 1.00 0.00 C ATOM 500 C ALA A 85 -0.461 -4.842 -7.815 1.00 0.00 C ATOM 501 O ALA A 85 0.335 -4.092 -8.380 1.00 0.00 O ATOM 502 CB ALA A 85 -1.569 -3.103 -6.519 1.00 0.00 C ATOM 0 H ALA A 85 -2.211 -5.028 -5.479 1.00 0.00 H new ATOM 0 HA ALA A 85 -2.416 -4.181 -8.301 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -1.113 -2.311 -7.114 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -2.518 -2.752 -6.115 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -0.902 -3.371 -5.699 1.00 0.00 H new ATOM 508 N LEU A 86 -0.153 -6.119 -7.538 1.00 0.00 N ATOM 509 CA LEU A 86 1.166 -6.624 -7.807 1.00 0.00 C ATOM 510 C LEU A 86 1.001 -7.983 -8.349 1.00 0.00 C ATOM 511 O LEU A 86 1.824 -8.452 -9.116 1.00 0.00 O ATOM 512 CB LEU A 86 1.922 -6.759 -6.498 1.00 0.00 C ATOM 513 CG LEU A 86 1.991 -5.438 -5.738 1.00 0.00 C ATOM 514 CD1 LEU A 86 1.978 -5.587 -4.245 1.00 0.00 C ATOM 515 CD2 LEU A 86 2.974 -4.444 -6.340 1.00 0.00 C ATOM 0 H LEU A 86 -0.800 -6.796 -7.135 1.00 0.00 H new ATOM 0 HA LEU A 86 1.698 -5.962 -8.490 1.00 0.00 H new ATOM 0 HB2 LEU A 86 1.437 -7.510 -5.875 1.00 0.00 H new ATOM 0 HB3 LEU A 86 2.933 -7.115 -6.698 1.00 0.00 H new ATOM 0 HG LEU A 86 1.038 -4.935 -5.901 1.00 0.00 H new ATOM 0 HD11 LEU A 86 2.030 -4.602 -3.781 1.00 0.00 H new ATOM 0 HD12 LEU A 86 1.059 -6.086 -3.937 1.00 0.00 H new ATOM 0 HD13 LEU A 86 2.836 -6.182 -3.931 1.00 0.00 H new ATOM 0 HD21 LEU A 86 2.972 -3.528 -5.750 1.00 0.00 H new ATOM 0 HD22 LEU A 86 3.975 -4.875 -6.337 1.00 0.00 H new ATOM 0 HD23 LEU A 86 2.680 -4.216 -7.365 1.00 0.00 H new ATOM 527 N LYS A 87 -0.055 -8.659 -7.882 1.00 0.00 N ATOM 528 CA LYS A 87 -0.471 -9.910 -8.446 1.00 0.00 C ATOM 529 C LYS A 87 -0.789 -9.682 -9.889 1.00 0.00 C ATOM 530 O LYS A 87 -0.466 -10.508 -10.742 1.00 0.00 O ATOM 531 CB LYS A 87 -1.797 -10.332 -7.826 1.00 0.00 C ATOM 532 CG LYS A 87 -1.963 -11.836 -7.718 1.00 0.00 C ATOM 533 CD LYS A 87 -2.861 -12.430 -8.806 1.00 0.00 C ATOM 534 CE LYS A 87 -3.074 -13.940 -8.663 1.00 0.00 C ATOM 535 NZ LYS A 87 -3.922 -14.430 -9.746 1.00 0.00 N ATOM 0 H LYS A 87 -0.632 -8.340 -7.104 1.00 0.00 H new ATOM 0 HA LYS A 87 0.313 -10.649 -8.283 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -1.880 -9.893 -6.832 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -2.614 -9.926 -8.423 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -0.981 -12.307 -7.771 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -2.381 -12.078 -6.741 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -3.829 -11.930 -8.780 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -2.422 -12.224 -9.782 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -2.113 -14.454 -8.681 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -3.535 -14.161 -7.701 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -4.061 -15.455 -9.641 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -4.844 -13.950 -9.710 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -3.466 -14.234 -10.660 1.00 0.00 H new ATOM 549 N VAL A 88 -1.468 -8.550 -10.158 1.00 0.00 N ATOM 550 CA VAL A 88 -1.864 -8.190 -11.496 1.00 0.00 C ATOM 551 C VAL A 88 -0.618 -8.081 -12.338 1.00 0.00 C ATOM 552 O VAL A 88 -0.639 -8.333 -13.541 1.00 0.00 O ATOM 553 CB VAL A 88 -2.544 -6.810 -11.497 1.00 0.00 C ATOM 554 CG1 VAL A 88 -2.720 -6.198 -12.891 1.00 0.00 C ATOM 555 CG2 VAL A 88 -3.887 -6.795 -10.766 1.00 0.00 C ATOM 0 H VAL A 88 -1.747 -7.876 -9.445 1.00 0.00 H new ATOM 0 HA VAL A 88 -2.553 -8.942 -11.882 1.00 0.00 H new ATOM 0 HB VAL A 88 -1.840 -6.186 -10.946 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -3.207 -5.227 -12.803 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -1.744 -6.074 -13.360 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -3.335 -6.858 -13.503 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -4.311 -5.792 -10.805 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -4.570 -7.497 -11.245 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -3.738 -7.086 -9.726 1.00 0.00 H new ATOM 565 N ARG A 89 0.499 -7.707 -11.693 1.00 0.00 N ATOM 566 CA ARG A 89 1.689 -7.349 -12.400 1.00 0.00 C ATOM 567 C ARG A 89 2.571 -8.559 -12.460 1.00 0.00 C ATOM 568 O ARG A 89 3.253 -8.796 -13.455 1.00 0.00 O ATOM 569 CB ARG A 89 2.365 -6.261 -11.573 1.00 0.00 C ATOM 570 CG ARG A 89 1.398 -5.144 -11.178 1.00 0.00 C ATOM 571 CD ARG A 89 1.984 -3.745 -11.352 1.00 0.00 C ATOM 572 NE ARG A 89 1.052 -2.786 -10.693 1.00 0.00 N ATOM 573 CZ ARG A 89 1.144 -1.451 -10.944 1.00 0.00 C ATOM 574 NH1 ARG A 89 1.990 -0.982 -11.880 1.00 0.00 N ATOM 575 NH2 ARG A 89 0.333 -0.585 -10.300 1.00 0.00 N ATOM 0 H ARG A 89 0.579 -7.652 -10.678 1.00 0.00 H new ATOM 0 HA ARG A 89 1.486 -6.999 -13.412 1.00 0.00 H new ATOM 0 HB2 ARG A 89 2.791 -6.704 -10.673 1.00 0.00 H new ATOM 0 HB3 ARG A 89 3.193 -5.837 -12.142 1.00 0.00 H new ATOM 0 HG2 ARG A 89 0.493 -5.228 -11.779 1.00 0.00 H new ATOM 0 HG3 ARG A 89 1.103 -5.280 -10.137 1.00 0.00 H new ATOM 0 HD2 ARG A 89 2.976 -3.686 -10.904 1.00 0.00 H new ATOM 0 HD3 ARG A 89 2.097 -3.505 -12.409 1.00 0.00 H new ATOM 0 HE ARG A 89 0.340 -3.132 -10.050 1.00 0.00 H new ATOM 0 HH11 ARG A 89 2.572 -1.629 -12.411 1.00 0.00 H new ATOM 0 HH12 ARG A 89 2.049 0.021 -12.058 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -0.349 -0.931 -9.625 1.00 0.00 H new ATOM 0 HH22 ARG A 89 0.402 0.415 -10.488 1.00 0.00 H new ATOM 589 N GLY A 90 2.589 -9.335 -11.362 1.00 0.00 N ATOM 590 CA GLY A 90 3.413 -10.509 -11.292 1.00 0.00 C ATOM 591 C GLY A 90 4.582 -10.182 -10.416 1.00 0.00 C ATOM 592 O GLY A 90 5.689 -10.673 -10.633 1.00 0.00 O ATOM 0 H GLY A 90 2.037 -9.154 -10.524 1.00 0.00 H new ATOM 0 HA2 GLY A 90 2.851 -11.349 -10.884 1.00 0.00 H new ATOM 0 HA3 GLY A 90 3.749 -10.803 -12.287 1.00 0.00 H new ATOM 596 N LEU A 91 4.348 -9.355 -9.379 1.00 0.00 N ATOM 597 CA LEU A 91 5.423 -8.905 -8.543 1.00 0.00 C ATOM 598 C LEU A 91 5.295 -9.603 -7.223 1.00 0.00 C ATOM 599 O LEU A 91 4.356 -10.361 -6.983 1.00 0.00 O ATOM 600 CB LEU A 91 5.364 -7.392 -8.283 1.00 0.00 C ATOM 601 CG LEU A 91 5.706 -6.539 -9.509 1.00 0.00 C ATOM 602 CD1 LEU A 91 6.250 -5.154 -9.140 1.00 0.00 C ATOM 603 CD2 LEU A 91 6.662 -7.232 -10.485 1.00 0.00 C ATOM 0 H LEU A 91 3.427 -9.001 -9.120 1.00 0.00 H new ATOM 0 HA LEU A 91 6.364 -9.126 -9.046 1.00 0.00 H new ATOM 0 HB2 LEU A 91 4.363 -7.131 -7.938 1.00 0.00 H new ATOM 0 HB3 LEU A 91 6.054 -7.144 -7.476 1.00 0.00 H new ATOM 0 HG LEU A 91 4.752 -6.406 -10.019 1.00 0.00 H new ATOM 0 HD11 LEU A 91 6.474 -4.597 -10.050 1.00 0.00 H new ATOM 0 HD12 LEU A 91 5.504 -4.613 -8.558 1.00 0.00 H new ATOM 0 HD13 LEU A 91 7.160 -5.266 -8.550 1.00 0.00 H new ATOM 0 HD21 LEU A 91 6.861 -6.572 -11.329 1.00 0.00 H new ATOM 0 HD22 LEU A 91 7.598 -7.463 -9.976 1.00 0.00 H new ATOM 0 HD23 LEU A 91 6.208 -8.155 -10.845 1.00 0.00 H new ATOM 615 N GLN A 92 6.272 -9.360 -6.327 1.00 0.00 N ATOM 616 CA GLN A 92 6.267 -9.998 -5.042 1.00 0.00 C ATOM 617 C GLN A 92 6.076 -8.920 -4.009 1.00 0.00 C ATOM 618 O GLN A 92 6.862 -7.976 -3.918 1.00 0.00 O ATOM 619 CB GLN A 92 7.590 -10.718 -4.749 1.00 0.00 C ATOM 620 CG GLN A 92 8.104 -11.565 -5.922 1.00 0.00 C ATOM 621 CD GLN A 92 7.357 -12.895 -5.925 1.00 0.00 C ATOM 622 OE1 GLN A 92 7.918 -13.936 -5.585 1.00 0.00 O ATOM 623 NE2 GLN A 92 6.053 -12.883 -6.326 1.00 0.00 N ATOM 0 H GLN A 92 7.057 -8.729 -6.488 1.00 0.00 H new ATOM 0 HA GLN A 92 5.471 -10.743 -5.022 1.00 0.00 H new ATOM 0 HB2 GLN A 92 8.346 -9.978 -4.488 1.00 0.00 H new ATOM 0 HB3 GLN A 92 7.459 -11.361 -3.878 1.00 0.00 H new ATOM 0 HG2 GLN A 92 7.947 -11.041 -6.865 1.00 0.00 H new ATOM 0 HG3 GLN A 92 9.177 -11.734 -5.826 1.00 0.00 H new ATOM 0 HE21 GLN A 92 5.613 -12.006 -6.603 1.00 0.00 H new ATOM 0 HE22 GLN A 92 5.519 -13.751 -6.349 1.00 0.00 H new ATOM 632 N PRO A 93 5.083 -9.164 -3.163 1.00 0.00 N ATOM 633 CA PRO A 93 4.893 -8.066 -2.239 1.00 0.00 C ATOM 634 C PRO A 93 5.646 -8.474 -0.999 1.00 0.00 C ATOM 635 O PRO A 93 6.078 -7.632 -0.217 1.00 0.00 O ATOM 636 CB PRO A 93 3.411 -8.038 -1.914 1.00 0.00 C ATOM 637 CG PRO A 93 2.735 -9.001 -2.884 1.00 0.00 C ATOM 638 CD PRO A 93 3.848 -9.870 -3.458 1.00 0.00 C ATOM 0 HA PRO A 93 5.223 -7.100 -2.620 1.00 0.00 H new ATOM 0 HB2 PRO A 93 3.235 -8.340 -0.882 1.00 0.00 H new ATOM 0 HB3 PRO A 93 3.009 -7.031 -2.024 1.00 0.00 H new ATOM 0 HG2 PRO A 93 1.989 -9.610 -2.373 1.00 0.00 H new ATOM 0 HG3 PRO A 93 2.217 -8.458 -3.675 1.00 0.00 H new ATOM 0 HD2 PRO A 93 3.845 -10.861 -3.005 1.00 0.00 H new ATOM 0 HD3 PRO A 93 3.723 -10.010 -4.532 1.00 0.00 H new ATOM 646 N GLU A 94 5.903 -9.788 -0.822 1.00 0.00 N ATOM 647 CA GLU A 94 6.435 -10.273 0.423 1.00 0.00 C ATOM 648 C GLU A 94 7.901 -9.944 0.469 1.00 0.00 C ATOM 649 O GLU A 94 8.548 -10.092 1.502 1.00 0.00 O ATOM 650 CB GLU A 94 6.295 -11.793 0.587 1.00 0.00 C ATOM 651 CG GLU A 94 4.849 -12.300 0.474 1.00 0.00 C ATOM 652 CD GLU A 94 3.957 -11.421 1.342 1.00 0.00 C ATOM 653 OE1 GLU A 94 4.139 -11.428 2.593 1.00 0.00 O ATOM 654 OE2 GLU A 94 3.089 -10.714 0.765 1.00 0.00 O ATOM 0 H GLU A 94 5.746 -10.506 -1.529 1.00 0.00 H new ATOM 0 HA GLU A 94 5.870 -9.796 1.224 1.00 0.00 H new ATOM 0 HB2 GLU A 94 6.904 -12.288 -0.170 1.00 0.00 H new ATOM 0 HB3 GLU A 94 6.696 -12.082 1.558 1.00 0.00 H new ATOM 0 HG2 GLU A 94 4.517 -12.268 -0.564 1.00 0.00 H new ATOM 0 HG3 GLU A 94 4.786 -13.339 0.797 1.00 0.00 H new ATOM 661 N CYS A 95 8.456 -9.474 -0.663 1.00 0.00 N ATOM 662 CA CYS A 95 9.852 -9.148 -0.712 1.00 0.00 C ATOM 663 C CYS A 95 9.971 -7.654 -0.624 1.00 0.00 C ATOM 664 O CYS A 95 11.033 -7.088 -0.875 1.00 0.00 O ATOM 665 CB CYS A 95 10.495 -9.582 -2.034 1.00 0.00 C ATOM 666 SG CYS A 95 10.600 -11.400 -2.096 1.00 0.00 S ATOM 0 H CYS A 95 7.948 -9.320 -1.534 1.00 0.00 H new ATOM 0 HA CYS A 95 10.356 -9.663 0.106 1.00 0.00 H new ATOM 0 HB2 CYS A 95 9.907 -9.213 -2.874 1.00 0.00 H new ATOM 0 HB3 CYS A 95 11.490 -9.147 -2.126 1.00 0.00 H new ATOM 0 HG CYS A 95 11.144 -11.765 -3.219 1.00 0.00 H new ATOM 672 N CYS A 96 8.873 -6.974 -0.240 1.00 0.00 N ATOM 673 CA CYS A 96 8.859 -5.543 -0.285 1.00 0.00 C ATOM 674 C CYS A 96 8.339 -5.049 1.034 1.00 0.00 C ATOM 675 O CYS A 96 7.824 -5.818 1.847 1.00 0.00 O ATOM 676 CB CYS A 96 7.901 -5.024 -1.362 1.00 0.00 C ATOM 677 SG CYS A 96 8.548 -5.431 -3.016 1.00 0.00 S ATOM 0 H CYS A 96 8.011 -7.405 0.095 1.00 0.00 H new ATOM 0 HA CYS A 96 9.869 -5.195 -0.502 1.00 0.00 H new ATOM 0 HB2 CYS A 96 6.915 -5.468 -1.228 1.00 0.00 H new ATOM 0 HB3 CYS A 96 7.780 -3.945 -1.264 1.00 0.00 H new ATOM 0 HG CYS A 96 7.908 -6.457 -3.492 1.00 0.00 H new ATOM 683 N ALA A 97 8.451 -3.723 1.245 1.00 0.00 N ATOM 684 CA ALA A 97 7.827 -3.083 2.367 1.00 0.00 C ATOM 685 C ALA A 97 6.905 -2.052 1.809 1.00 0.00 C ATOM 686 O ALA A 97 7.264 -1.309 0.901 1.00 0.00 O ATOM 687 CB ALA A 97 8.756 -2.361 3.363 1.00 0.00 C ATOM 0 H ALA A 97 8.974 -3.092 0.638 1.00 0.00 H new ATOM 0 HA ALA A 97 7.357 -3.883 2.939 1.00 0.00 H new ATOM 0 HB1 ALA A 97 8.160 -1.921 4.163 1.00 0.00 H new ATOM 0 HB2 ALA A 97 9.461 -3.076 3.787 1.00 0.00 H new ATOM 0 HB3 ALA A 97 9.305 -1.575 2.844 1.00 0.00 H new ATOM 693 N VAL A 98 5.690 -1.969 2.374 1.00 0.00 N ATOM 694 CA VAL A 98 4.742 -0.992 1.935 1.00 0.00 C ATOM 695 C VAL A 98 4.751 0.119 2.942 1.00 0.00 C ATOM 696 O VAL A 98 5.065 -0.078 4.116 1.00 0.00 O ATOM 697 CB VAL A 98 3.326 -1.567 1.815 1.00 0.00 C ATOM 698 CG1 VAL A 98 2.913 -2.413 3.018 1.00 0.00 C ATOM 699 CG2 VAL A 98 2.243 -0.518 1.564 1.00 0.00 C ATOM 0 H VAL A 98 5.364 -2.572 3.129 1.00 0.00 H new ATOM 0 HA VAL A 98 5.023 -0.642 0.942 1.00 0.00 H new ATOM 0 HB VAL A 98 3.395 -2.205 0.934 1.00 0.00 H new ATOM 0 HG11 VAL A 98 1.901 -2.789 2.868 1.00 0.00 H new ATOM 0 HG12 VAL A 98 3.600 -3.253 3.125 1.00 0.00 H new ATOM 0 HG13 VAL A 98 2.943 -1.802 3.920 1.00 0.00 H new ATOM 0 HG21 VAL A 98 1.272 -1.008 1.492 1.00 0.00 H new ATOM 0 HG22 VAL A 98 2.229 0.195 2.388 1.00 0.00 H new ATOM 0 HG23 VAL A 98 2.454 0.008 0.633 1.00 0.00 H new ATOM 709 N PHE A 99 4.380 1.325 2.477 1.00 0.00 N ATOM 710 CA PHE A 99 4.496 2.499 3.285 1.00 0.00 C ATOM 711 C PHE A 99 3.356 3.391 2.925 1.00 0.00 C ATOM 712 O PHE A 99 2.767 3.272 1.851 1.00 0.00 O ATOM 713 CB PHE A 99 5.740 3.329 2.936 1.00 0.00 C ATOM 714 CG PHE A 99 6.943 2.610 3.437 1.00 0.00 C ATOM 715 CD1 PHE A 99 7.548 1.621 2.679 1.00 0.00 C ATOM 716 CD2 PHE A 99 7.633 3.049 4.575 1.00 0.00 C ATOM 717 CE1 PHE A 99 8.884 1.323 2.853 1.00 0.00 C ATOM 718 CE2 PHE A 99 8.951 2.723 4.772 1.00 0.00 C ATOM 719 CZ PHE A 99 9.602 1.954 3.842 1.00 0.00 C ATOM 0 H PHE A 99 4.001 1.487 1.544 1.00 0.00 H new ATOM 0 HA PHE A 99 4.532 2.179 4.326 1.00 0.00 H new ATOM 0 HB2 PHE A 99 5.808 3.475 1.858 1.00 0.00 H new ATOM 0 HB3 PHE A 99 5.674 4.319 3.388 1.00 0.00 H new ATOM 0 HD1 PHE A 99 6.969 1.079 1.946 1.00 0.00 H new ATOM 0 HD2 PHE A 99 7.119 3.653 5.308 1.00 0.00 H new ATOM 0 HE1 PHE A 99 9.364 0.596 2.215 1.00 0.00 H new ATOM 0 HE2 PHE A 99 9.472 3.069 5.653 1.00 0.00 H new ATOM 0 HZ PHE A 99 10.675 1.844 3.886 1.00 0.00 H new ATOM 729 N ARG A 100 3.108 4.392 3.785 1.00 0.00 N ATOM 730 CA ARG A 100 2.299 5.501 3.409 1.00 0.00 C ATOM 731 C ARG A 100 3.253 6.638 3.197 1.00 0.00 C ATOM 732 O ARG A 100 4.313 6.703 3.819 1.00 0.00 O ATOM 733 CB ARG A 100 1.281 5.794 4.500 1.00 0.00 C ATOM 734 CG ARG A 100 1.024 7.274 4.755 1.00 0.00 C ATOM 735 CD ARG A 100 0.111 7.501 5.959 1.00 0.00 C ATOM 736 NE ARG A 100 -0.660 8.760 5.734 1.00 0.00 N ATOM 737 CZ ARG A 100 -0.189 9.968 6.143 1.00 0.00 C ATOM 738 NH1 ARG A 100 0.913 10.060 6.912 1.00 0.00 N ATOM 739 NH2 ARG A 100 -0.891 11.083 5.847 1.00 0.00 N ATOM 0 H ARG A 100 3.468 4.432 4.739 1.00 0.00 H new ATOM 0 HA ARG A 100 1.722 5.316 2.503 1.00 0.00 H new ATOM 0 HB2 ARG A 100 0.338 5.317 4.235 1.00 0.00 H new ATOM 0 HB3 ARG A 100 1.621 5.334 5.428 1.00 0.00 H new ATOM 0 HG2 ARG A 100 1.974 7.783 4.920 1.00 0.00 H new ATOM 0 HG3 ARG A 100 0.573 7.721 3.869 1.00 0.00 H new ATOM 0 HD2 ARG A 100 -0.568 6.658 6.085 1.00 0.00 H new ATOM 0 HD3 ARG A 100 0.700 7.575 6.873 1.00 0.00 H new ATOM 0 HE ARG A 100 -1.563 8.712 5.262 1.00 0.00 H new ATOM 0 HH11 ARG A 100 1.408 9.215 7.197 1.00 0.00 H new ATOM 0 HH12 ARG A 100 1.252 10.975 7.210 1.00 0.00 H new ATOM 0 HH21 ARG A 100 -1.763 11.012 5.323 1.00 0.00 H new ATOM 0 HH22 ARG A 100 -0.549 11.996 6.148 1.00 0.00 H new ATOM 753 N LEU A 101 2.918 7.545 2.270 1.00 0.00 N ATOM 754 CA LEU A 101 3.872 8.508 1.805 1.00 0.00 C ATOM 755 C LEU A 101 3.983 9.588 2.832 1.00 0.00 C ATOM 756 O LEU A 101 3.210 9.665 3.788 1.00 0.00 O ATOM 757 CB LEU A 101 3.417 9.144 0.484 1.00 0.00 C ATOM 758 CG LEU A 101 3.636 8.237 -0.730 1.00 0.00 C ATOM 759 CD1 LEU A 101 2.831 6.946 -0.672 1.00 0.00 C ATOM 760 CD2 LEU A 101 3.323 8.918 -2.067 1.00 0.00 C ATOM 0 H LEU A 101 1.995 7.616 1.842 1.00 0.00 H new ATOM 0 HA LEU A 101 4.827 8.008 1.642 1.00 0.00 H new ATOM 0 HB2 LEU A 101 2.359 9.396 0.555 1.00 0.00 H new ATOM 0 HB3 LEU A 101 3.957 10.079 0.333 1.00 0.00 H new ATOM 0 HG LEU A 101 4.700 8.008 -0.680 1.00 0.00 H new ATOM 0 HD11 LEU A 101 3.033 6.351 -1.562 1.00 0.00 H new ATOM 0 HD12 LEU A 101 3.115 6.380 0.215 1.00 0.00 H new ATOM 0 HD13 LEU A 101 1.768 7.182 -0.627 1.00 0.00 H new ATOM 0 HD21 LEU A 101 3.500 8.217 -2.883 1.00 0.00 H new ATOM 0 HD22 LEU A 101 2.280 9.233 -2.079 1.00 0.00 H new ATOM 0 HD23 LEU A 101 3.966 9.789 -2.191 1.00 0.00 H new ATOM 772 N LEU A 102 4.976 10.471 2.628 1.00 0.00 N ATOM 773 CA LEU A 102 5.307 11.457 3.607 1.00 0.00 C ATOM 774 C LEU A 102 4.474 12.675 3.339 1.00 0.00 C ATOM 775 O LEU A 102 4.858 13.569 2.588 1.00 0.00 O ATOM 776 CB LEU A 102 6.798 11.809 3.603 1.00 0.00 C ATOM 777 CG LEU A 102 7.517 11.441 2.300 1.00 0.00 C ATOM 778 CD1 LEU A 102 6.925 12.139 1.074 1.00 0.00 C ATOM 779 CD2 LEU A 102 9.022 11.713 2.342 1.00 0.00 C ATOM 0 H LEU A 102 5.549 10.502 1.785 1.00 0.00 H new ATOM 0 HA LEU A 102 5.094 11.055 4.598 1.00 0.00 H new ATOM 0 HB2 LEU A 102 6.910 12.879 3.779 1.00 0.00 H new ATOM 0 HB3 LEU A 102 7.285 11.297 4.433 1.00 0.00 H new ATOM 0 HG LEU A 102 7.360 10.366 2.206 1.00 0.00 H new ATOM 0 HD11 LEU A 102 7.476 11.839 0.183 1.00 0.00 H new ATOM 0 HD12 LEU A 102 5.878 11.857 0.965 1.00 0.00 H new ATOM 0 HD13 LEU A 102 6.999 13.219 1.199 1.00 0.00 H new ATOM 0 HD21 LEU A 102 9.470 11.431 1.389 1.00 0.00 H new ATOM 0 HD22 LEU A 102 9.195 12.774 2.524 1.00 0.00 H new ATOM 0 HD23 LEU A 102 9.475 11.129 3.143 1.00 0.00 H new ATOM 791 N HIS A 103 3.319 12.772 4.026 1.00 0.00 N ATOM 792 CA HIS A 103 2.474 13.918 3.869 1.00 0.00 C ATOM 793 C HIS A 103 2.711 14.815 5.049 1.00 0.00 C ATOM 794 O HIS A 103 2.300 15.973 5.056 1.00 0.00 O ATOM 795 CB HIS A 103 0.983 13.563 3.814 1.00 0.00 C ATOM 796 CG HIS A 103 0.652 12.580 2.730 1.00 0.00 C ATOM 797 ND1 HIS A 103 0.297 11.286 3.002 1.00 0.00 N ATOM 798 CD2 HIS A 103 0.445 12.773 1.409 1.00 0.00 C ATOM 799 CE1 HIS A 103 -0.104 10.716 1.877 1.00 0.00 C ATOM 800 NE2 HIS A 103 -0.031 11.599 0.895 1.00 0.00 N ATOM 0 H HIS A 103 2.974 12.069 4.680 1.00 0.00 H new ATOM 0 HA HIS A 103 2.721 14.396 2.921 1.00 0.00 H new ATOM 0 HB2 HIS A 103 0.678 13.151 4.776 1.00 0.00 H new ATOM 0 HB3 HIS A 103 0.404 14.474 3.660 1.00 0.00 H new ATOM 0 HD2 HIS A 103 0.623 13.686 0.860 1.00 0.00 H new ATOM 0 HE1 HIS A 103 -0.437 9.694 1.777 1.00 0.00 H new ATOM 0 HE2 HIS A 103 -0.286 11.433 -0.078 1.00 0.00 H new ATOM 809 N GLU A 104 3.376 14.284 6.096 1.00 0.00 N ATOM 810 CA GLU A 104 3.645 15.074 7.264 1.00 0.00 C ATOM 811 C GLU A 104 5.042 14.755 7.705 1.00 0.00 C ATOM 812 O GLU A 104 5.378 14.868 8.884 1.00 0.00 O ATOM 813 CB GLU A 104 2.706 14.777 8.448 1.00 0.00 C ATOM 814 CG GLU A 104 1.215 14.807 8.083 1.00 0.00 C ATOM 815 CD GLU A 104 0.814 13.440 7.534 1.00 0.00 C ATOM 816 OE1 GLU A 104 1.570 12.441 7.713 1.00 0.00 O ATOM 817 OE2 GLU A 104 -0.268 13.350 6.896 1.00 0.00 O ATOM 0 H GLU A 104 3.722 13.325 6.135 1.00 0.00 H new ATOM 0 HA GLU A 104 3.498 16.119 6.991 1.00 0.00 H new ATOM 0 HB2 GLU A 104 2.950 13.796 8.856 1.00 0.00 H new ATOM 0 HB3 GLU A 104 2.891 15.505 9.237 1.00 0.00 H new ATOM 0 HG2 GLU A 104 0.617 15.051 8.961 1.00 0.00 H new ATOM 0 HG3 GLU A 104 1.024 15.582 7.341 1.00 0.00 H new ATOM 824 N HIS A 105 5.887 14.281 6.767 1.00 0.00 N ATOM 825 CA HIS A 105 7.231 13.924 7.118 1.00 0.00 C ATOM 826 C HIS A 105 8.088 14.256 5.939 1.00 0.00 C ATOM 827 O HIS A 105 7.591 14.673 4.896 1.00 0.00 O ATOM 828 CB HIS A 105 7.431 12.430 7.460 1.00 0.00 C ATOM 829 CG HIS A 105 6.155 11.641 7.494 1.00 0.00 C ATOM 830 ND1 HIS A 105 5.192 11.838 8.448 1.00 0.00 N ATOM 831 CD2 HIS A 105 5.734 10.625 6.716 1.00 0.00 C ATOM 832 CE1 HIS A 105 4.177 11.027 8.189 1.00 0.00 C ATOM 833 NE2 HIS A 105 4.477 10.287 7.134 1.00 0.00 N ATOM 0 H HIS A 105 5.647 14.147 5.785 1.00 0.00 H new ATOM 0 HA HIS A 105 7.492 14.475 8.021 1.00 0.00 H new ATOM 0 HB2 HIS A 105 8.103 11.985 6.726 1.00 0.00 H new ATOM 0 HB3 HIS A 105 7.922 12.351 8.430 1.00 0.00 H new ATOM 0 HD1 HIS A 105 5.247 12.497 9.225 1.00 0.00 H new ATOM 0 HD2 HIS A 105 6.287 10.163 5.911 1.00 0.00 H new ATOM 0 HE1 HIS A 105 3.254 10.978 8.748 1.00 0.00 H new ATOM 842 N LYS A 106 9.417 14.100 6.094 1.00 0.00 N ATOM 843 CA LYS A 106 10.299 14.283 4.983 1.00 0.00 C ATOM 844 C LYS A 106 11.462 13.371 5.195 1.00 0.00 C ATOM 845 O LYS A 106 11.938 13.205 6.316 1.00 0.00 O ATOM 846 CB LYS A 106 10.842 15.709 4.897 1.00 0.00 C ATOM 847 CG LYS A 106 10.014 16.625 3.993 1.00 0.00 C ATOM 848 CD LYS A 106 10.157 16.307 2.500 1.00 0.00 C ATOM 849 CE LYS A 106 9.342 17.240 1.600 1.00 0.00 C ATOM 850 NZ LYS A 106 9.477 16.831 0.204 1.00 0.00 N ATOM 0 H LYS A 106 9.873 13.852 6.972 1.00 0.00 H new ATOM 0 HA LYS A 106 9.748 14.076 4.065 1.00 0.00 H new ATOM 0 HB2 LYS A 106 10.878 16.137 5.899 1.00 0.00 H new ATOM 0 HB3 LYS A 106 11.867 15.677 4.527 1.00 0.00 H new ATOM 0 HG2 LYS A 106 8.964 16.546 4.274 1.00 0.00 H new ATOM 0 HG3 LYS A 106 10.313 17.659 4.166 1.00 0.00 H new ATOM 0 HD2 LYS A 106 11.209 16.372 2.221 1.00 0.00 H new ATOM 0 HD3 LYS A 106 9.843 15.278 2.323 1.00 0.00 H new ATOM 0 HE2 LYS A 106 8.293 17.218 1.894 1.00 0.00 H new ATOM 0 HE3 LYS A 106 9.685 18.267 1.721 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 8.921 17.469 -0.400 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 10.478 16.875 -0.075 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 9.128 15.858 0.092 1.00 0.00 H new ATOM 864 N GLY A 107 11.924 12.733 4.103 1.00 0.00 N ATOM 865 CA GLY A 107 13.134 11.958 4.161 1.00 0.00 C ATOM 866 C GLY A 107 12.768 10.534 4.459 1.00 0.00 C ATOM 867 O GLY A 107 13.583 9.630 4.291 1.00 0.00 O ATOM 0 H GLY A 107 11.470 12.750 3.190 1.00 0.00 H new ATOM 0 HA2 GLY A 107 13.671 12.022 3.215 1.00 0.00 H new ATOM 0 HA3 GLY A 107 13.798 12.349 4.932 1.00 0.00 H new ATOM 871 N LYS A 108 11.522 10.297 4.912 1.00 0.00 N ATOM 872 CA LYS A 108 11.142 8.987 5.329 1.00 0.00 C ATOM 873 C LYS A 108 9.687 8.851 5.060 1.00 0.00 C ATOM 874 O LYS A 108 8.904 9.763 5.318 1.00 0.00 O ATOM 875 CB LYS A 108 11.373 8.733 6.817 1.00 0.00 C ATOM 876 CG LYS A 108 12.848 8.545 7.169 1.00 0.00 C ATOM 877 CD LYS A 108 13.086 7.465 8.226 1.00 0.00 C ATOM 878 CE LYS A 108 14.555 7.326 8.633 1.00 0.00 C ATOM 879 NZ LYS A 108 14.699 6.272 9.633 1.00 0.00 N ATOM 0 H LYS A 108 10.790 11.003 4.988 1.00 0.00 H new ATOM 0 HA LYS A 108 11.753 8.268 4.784 1.00 0.00 H new ATOM 0 HB2 LYS A 108 10.972 9.570 7.389 1.00 0.00 H new ATOM 0 HB3 LYS A 108 10.817 7.845 7.119 1.00 0.00 H new ATOM 0 HG2 LYS A 108 13.400 8.287 6.265 1.00 0.00 H new ATOM 0 HG3 LYS A 108 13.252 9.491 7.529 1.00 0.00 H new ATOM 0 HD2 LYS A 108 12.492 7.695 9.110 1.00 0.00 H new ATOM 0 HD3 LYS A 108 12.731 6.508 7.844 1.00 0.00 H new ATOM 0 HE2 LYS A 108 15.163 7.094 7.758 1.00 0.00 H new ATOM 0 HE3 LYS A 108 14.921 8.271 9.034 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 15.699 6.184 9.904 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 14.133 6.510 10.472 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 14.367 5.370 9.236 1.00 0.00 H new ATOM 893 N LYS A 109 9.311 7.685 4.519 1.00 0.00 N ATOM 894 CA LYS A 109 7.937 7.363 4.314 1.00 0.00 C ATOM 895 C LYS A 109 7.454 6.740 5.586 1.00 0.00 C ATOM 896 O LYS A 109 8.243 6.251 6.395 1.00 0.00 O ATOM 897 CB LYS A 109 7.831 6.334 3.184 1.00 0.00 C ATOM 898 CG LYS A 109 7.559 6.925 1.805 1.00 0.00 C ATOM 899 CD LYS A 109 7.017 5.889 0.825 1.00 0.00 C ATOM 900 CE LYS A 109 7.956 4.693 0.633 1.00 0.00 C ATOM 901 NZ LYS A 109 9.124 5.095 -0.146 1.00 0.00 N ATOM 0 H LYS A 109 9.963 6.959 4.221 1.00 0.00 H new ATOM 0 HA LYS A 109 7.352 8.245 4.052 1.00 0.00 H new ATOM 0 HB2 LYS A 109 8.759 5.763 3.143 1.00 0.00 H new ATOM 0 HB3 LYS A 109 7.035 5.630 3.426 1.00 0.00 H new ATOM 0 HG2 LYS A 109 6.844 7.742 1.898 1.00 0.00 H new ATOM 0 HG3 LYS A 109 8.480 7.351 1.407 1.00 0.00 H new ATOM 0 HD2 LYS A 109 6.051 5.531 1.181 1.00 0.00 H new ATOM 0 HD3 LYS A 109 6.844 6.366 -0.140 1.00 0.00 H new ATOM 0 HE2 LYS A 109 8.271 4.308 1.603 1.00 0.00 H new ATOM 0 HE3 LYS A 109 7.430 3.885 0.124 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 9.668 4.251 -0.416 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 8.814 5.596 -1.003 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 9.723 5.725 0.426 1.00 0.00 H new ATOM 915 N ALA A 110 6.126 6.752 5.799 1.00 0.00 N ATOM 916 CA ALA A 110 5.579 6.191 7.001 1.00 0.00 C ATOM 917 C ALA A 110 5.410 4.732 6.760 1.00 0.00 C ATOM 918 O ALA A 110 4.695 4.315 5.855 1.00 0.00 O ATOM 919 CB ALA A 110 4.239 6.750 7.480 1.00 0.00 C ATOM 0 H ALA A 110 5.439 7.142 5.154 1.00 0.00 H new ATOM 0 HA ALA A 110 6.282 6.449 7.793 1.00 0.00 H new ATOM 0 HB1 ALA A 110 3.939 6.241 8.396 1.00 0.00 H new ATOM 0 HB2 ALA A 110 4.339 7.818 7.674 1.00 0.00 H new ATOM 0 HB3 ALA A 110 3.483 6.590 6.712 1.00 0.00 H new ATOM 925 N ARG A 111 6.093 3.903 7.567 1.00 0.00 N ATOM 926 CA ARG A 111 6.191 2.518 7.248 1.00 0.00 C ATOM 927 C ARG A 111 5.101 1.821 7.973 1.00 0.00 C ATOM 928 O ARG A 111 4.696 2.227 9.061 1.00 0.00 O ATOM 929 CB ARG A 111 7.543 1.962 7.674 1.00 0.00 C ATOM 930 CG ARG A 111 7.712 0.473 7.390 1.00 0.00 C ATOM 931 CD ARG A 111 7.573 -0.376 8.652 1.00 0.00 C ATOM 932 NE ARG A 111 7.608 -1.812 8.243 1.00 0.00 N ATOM 933 CZ ARG A 111 8.779 -2.397 7.861 1.00 0.00 C ATOM 934 NH1 ARG A 111 9.952 -1.743 7.983 1.00 0.00 N ATOM 935 NH2 ARG A 111 8.787 -3.680 7.431 1.00 0.00 N ATOM 0 H ARG A 111 6.568 4.186 8.424 1.00 0.00 H new ATOM 0 HA ARG A 111 6.100 2.369 6.172 1.00 0.00 H new ATOM 0 HB2 ARG A 111 8.331 2.512 7.159 1.00 0.00 H new ATOM 0 HB3 ARG A 111 7.677 2.137 8.741 1.00 0.00 H new ATOM 0 HG2 ARG A 111 6.968 0.158 6.659 1.00 0.00 H new ATOM 0 HG3 ARG A 111 8.691 0.299 6.944 1.00 0.00 H new ATOM 0 HD2 ARG A 111 8.381 -0.158 9.350 1.00 0.00 H new ATOM 0 HD3 ARG A 111 6.639 -0.148 9.165 1.00 0.00 H new ATOM 0 HE ARG A 111 6.748 -2.360 8.249 1.00 0.00 H new ATOM 0 HH11 ARG A 111 9.971 -0.798 8.365 1.00 0.00 H new ATOM 0 HH12 ARG A 111 10.820 -2.194 7.693 1.00 0.00 H new ATOM 0 HH21 ARG A 111 7.917 -4.210 7.392 1.00 0.00 H new ATOM 0 HH22 ARG A 111 9.663 -4.117 7.145 1.00 0.00 H new ATOM 949 N LEU A 112 4.614 0.734 7.359 1.00 0.00 N ATOM 950 CA LEU A 112 3.385 0.149 7.786 1.00 0.00 C ATOM 951 C LEU A 112 3.603 -1.318 7.934 1.00 0.00 C ATOM 952 O LEU A 112 4.730 -1.812 7.879 1.00 0.00 O ATOM 953 CB LEU A 112 2.290 0.324 6.733 1.00 0.00 C ATOM 954 CG LEU A 112 1.979 1.784 6.411 1.00 0.00 C ATOM 955 CD1 LEU A 112 1.091 1.944 5.177 1.00 0.00 C ATOM 956 CD2 LEU A 112 1.380 2.556 7.594 1.00 0.00 C ATOM 0 H LEU A 112 5.065 0.263 6.575 1.00 0.00 H new ATOM 0 HA LEU A 112 3.080 0.630 8.715 1.00 0.00 H new ATOM 0 HB2 LEU A 112 2.593 -0.185 5.818 1.00 0.00 H new ATOM 0 HB3 LEU A 112 1.380 -0.164 7.082 1.00 0.00 H new ATOM 0 HG LEU A 112 2.951 2.225 6.190 1.00 0.00 H new ATOM 0 HD11 LEU A 112 0.904 3.003 4.998 1.00 0.00 H new ATOM 0 HD12 LEU A 112 1.591 1.512 4.310 1.00 0.00 H new ATOM 0 HD13 LEU A 112 0.143 1.431 5.342 1.00 0.00 H new ATOM 0 HD21 LEU A 112 1.184 3.586 7.295 1.00 0.00 H new ATOM 0 HD22 LEU A 112 0.447 2.084 7.902 1.00 0.00 H new ATOM 0 HD23 LEU A 112 2.083 2.548 8.427 1.00 0.00 H new ATOM 968 N ASP A 113 2.482 -2.042 8.079 1.00 0.00 N ATOM 969 CA ASP A 113 2.517 -3.464 8.246 1.00 0.00 C ATOM 970 C ASP A 113 2.009 -4.071 6.971 1.00 0.00 C ATOM 971 O ASP A 113 1.604 -3.368 6.052 1.00 0.00 O ATOM 972 CB ASP A 113 1.636 -3.919 9.426 1.00 0.00 C ATOM 973 CG ASP A 113 1.961 -5.371 9.748 1.00 0.00 C ATOM 974 OD1 ASP A 113 3.120 -5.641 10.154 1.00 0.00 O ATOM 975 OD2 ASP A 113 1.073 -6.233 9.511 1.00 0.00 O ATOM 0 H ASP A 113 1.544 -1.642 8.081 1.00 0.00 H new ATOM 0 HA ASP A 113 3.536 -3.784 8.465 1.00 0.00 H new ATOM 0 HB2 ASP A 113 1.817 -3.289 10.297 1.00 0.00 H new ATOM 0 HB3 ASP A 113 0.581 -3.816 9.172 1.00 0.00 H new ATOM 980 N TRP A 114 2.075 -5.415 6.876 1.00 0.00 N ATOM 981 CA TRP A 114 1.615 -6.101 5.721 1.00 0.00 C ATOM 982 C TRP A 114 0.185 -6.509 5.963 1.00 0.00 C ATOM 983 O TRP A 114 -0.497 -7.027 5.081 1.00 0.00 O ATOM 984 CB TRP A 114 2.513 -7.349 5.519 1.00 0.00 C ATOM 985 CG TRP A 114 3.415 -7.266 4.308 1.00 0.00 C ATOM 986 CD1 TRP A 114 4.720 -7.613 4.112 1.00 0.00 C ATOM 987 CD2 TRP A 114 2.978 -6.660 3.102 1.00 0.00 C ATOM 988 NE1 TRP A 114 5.130 -7.201 2.852 1.00 0.00 N ATOM 989 CE2 TRP A 114 4.061 -6.589 2.224 1.00 0.00 C ATOM 990 CE3 TRP A 114 1.745 -6.215 2.827 1.00 0.00 C ATOM 991 CZ2 TRP A 114 3.837 -5.984 0.997 1.00 0.00 C ATOM 992 CZ3 TRP A 114 1.522 -5.679 1.585 1.00 0.00 C ATOM 993 CH2 TRP A 114 2.545 -5.591 0.666 1.00 0.00 C ATOM 0 H TRP A 114 2.450 -6.021 7.606 1.00 0.00 H new ATOM 0 HA TRP A 114 1.664 -5.475 4.830 1.00 0.00 H new ATOM 0 HB2 TRP A 114 3.127 -7.490 6.408 1.00 0.00 H new ATOM 0 HB3 TRP A 114 1.878 -8.230 5.427 1.00 0.00 H new ATOM 0 HD1 TRP A 114 5.340 -8.130 4.829 1.00 0.00 H new ATOM 0 HE1 TRP A 114 6.062 -7.328 2.456 1.00 0.00 H new ATOM 0 HE3 TRP A 114 0.953 -6.276 3.559 1.00 0.00 H new ATOM 0 HZ2 TRP A 114 4.653 -5.820 0.309 1.00 0.00 H new ATOM 0 HZ3 TRP A 114 0.536 -5.323 1.325 1.00 0.00 H new ATOM 0 HH2 TRP A 114 2.341 -5.212 -0.324 1.00 0.00 H new ATOM 1004 N ASN A 115 -0.364 -6.146 7.134 1.00 0.00 N ATOM 1005 CA ASN A 115 -1.770 -6.300 7.358 1.00 0.00 C ATOM 1006 C ASN A 115 -2.233 -5.023 7.986 1.00 0.00 C ATOM 1007 O ASN A 115 -2.942 -4.996 8.991 1.00 0.00 O ATOM 1008 CB ASN A 115 -2.043 -7.442 8.339 1.00 0.00 C ATOM 1009 CG ASN A 115 -2.439 -8.676 7.539 1.00 0.00 C ATOM 1010 OD1 ASN A 115 -1.611 -9.292 6.864 1.00 0.00 O ATOM 1011 ND2 ASN A 115 -3.744 -9.040 7.591 1.00 0.00 N ATOM 0 H ASN A 115 0.155 -5.751 7.918 1.00 0.00 H new ATOM 0 HA ASN A 115 -2.282 -6.522 6.421 1.00 0.00 H new ATOM 0 HB2 ASN A 115 -1.156 -7.647 8.939 1.00 0.00 H new ATOM 0 HB3 ASN A 115 -2.839 -7.166 9.030 1.00 0.00 H new ATOM 0 HD21 ASN A 115 -4.070 -9.848 7.060 1.00 0.00 H new ATOM 0 HD22 ASN A 115 -4.400 -8.506 8.161 1.00 0.00 H new ATOM 1018 N THR A 116 -1.878 -3.888 7.358 1.00 0.00 N ATOM 1019 CA THR A 116 -1.824 -2.649 8.080 1.00 0.00 C ATOM 1020 C THR A 116 -3.191 -2.010 8.097 1.00 0.00 C ATOM 1021 O THR A 116 -3.359 -0.975 8.736 1.00 0.00 O ATOM 1022 CB THR A 116 -0.707 -1.679 7.660 1.00 0.00 C ATOM 1023 OG1 THR A 116 -0.058 -1.160 8.812 1.00 0.00 O ATOM 1024 CG2 THR A 116 -1.175 -0.458 6.857 1.00 0.00 C ATOM 0 H THR A 116 -1.632 -3.824 6.370 1.00 0.00 H new ATOM 0 HA THR A 116 -1.535 -2.903 9.100 1.00 0.00 H new ATOM 0 HB THR A 116 -0.056 -2.280 7.025 1.00 0.00 H new ATOM 0 HG1 THR A 116 -0.728 -0.809 9.435 1.00 0.00 H new ATOM 0 HG21 THR A 116 -0.316 0.165 6.608 1.00 0.00 H new ATOM 0 HG22 THR A 116 -1.660 -0.790 5.939 1.00 0.00 H new ATOM 0 HG23 THR A 116 -1.882 0.120 7.452 1.00 0.00 H new ATOM 1032 N ASP A 117 -4.148 -2.572 7.324 1.00 0.00 N ATOM 1033 CA ASP A 117 -5.493 -2.064 7.284 1.00 0.00 C ATOM 1034 C ASP A 117 -5.481 -0.837 6.424 1.00 0.00 C ATOM 1035 O ASP A 117 -5.448 0.272 6.937 1.00 0.00 O ATOM 1036 CB ASP A 117 -6.061 -1.774 8.680 1.00 0.00 C ATOM 1037 CG ASP A 117 -7.525 -1.386 8.544 1.00 0.00 C ATOM 1038 OD1 ASP A 117 -8.320 -2.250 8.090 1.00 0.00 O ATOM 1039 OD2 ASP A 117 -7.862 -0.221 8.884 1.00 0.00 O ATOM 0 H ASP A 117 -3.989 -3.382 6.724 1.00 0.00 H new ATOM 0 HA ASP A 117 -6.155 -2.821 6.864 1.00 0.00 H new ATOM 0 HB2 ASP A 117 -5.961 -2.652 9.318 1.00 0.00 H new ATOM 0 HB3 ASP A 117 -5.500 -0.969 9.156 1.00 0.00 H new ATOM 1044 N ALA A 118 -5.692 -1.037 5.102 1.00 0.00 N ATOM 1045 CA ALA A 118 -5.627 0.039 4.147 1.00 0.00 C ATOM 1046 C ALA A 118 -6.823 0.917 4.354 1.00 0.00 C ATOM 1047 O ALA A 118 -6.846 2.061 3.912 1.00 0.00 O ATOM 1048 CB ALA A 118 -5.796 -0.678 2.791 1.00 0.00 C ATOM 0 H ALA A 118 -5.908 -1.946 4.694 1.00 0.00 H new ATOM 0 HA ALA A 118 -4.718 0.636 4.221 1.00 0.00 H new ATOM 0 HB1 ALA A 118 -5.762 0.055 1.985 1.00 0.00 H new ATOM 0 HB2 ALA A 118 -4.991 -1.401 2.659 1.00 0.00 H new ATOM 0 HB3 ALA A 118 -6.755 -1.195 2.770 1.00 0.00 H new ATOM 1054 N ALA A 119 -7.791 0.428 5.152 1.00 0.00 N ATOM 1055 CA ALA A 119 -8.987 1.169 5.429 1.00 0.00 C ATOM 1056 C ALA A 119 -8.670 2.196 6.478 1.00 0.00 C ATOM 1057 O ALA A 119 -9.483 3.072 6.766 1.00 0.00 O ATOM 1058 CB ALA A 119 -9.775 0.023 6.087 1.00 0.00 C ATOM 0 H ALA A 119 -7.746 -0.484 5.607 1.00 0.00 H new ATOM 0 HA ALA A 119 -9.463 1.685 4.595 1.00 0.00 H new ATOM 0 HB1 ALA A 119 -10.759 0.383 6.387 1.00 0.00 H new ATOM 0 HB2 ALA A 119 -9.890 -0.795 5.376 1.00 0.00 H new ATOM 0 HB3 ALA A 119 -9.235 -0.333 6.965 1.00 0.00 H new ATOM 1064 N SER A 120 -7.444 2.150 7.035 1.00 0.00 N ATOM 1065 CA SER A 120 -7.045 3.133 8.004 1.00 0.00 C ATOM 1066 C SER A 120 -6.179 4.134 7.295 1.00 0.00 C ATOM 1067 O SER A 120 -5.924 5.223 7.804 1.00 0.00 O ATOM 1068 CB SER A 120 -6.250 2.539 9.176 1.00 0.00 C ATOM 1069 OG SER A 120 -7.123 1.849 10.059 1.00 0.00 O ATOM 0 H SER A 120 -6.738 1.446 6.821 1.00 0.00 H new ATOM 0 HA SER A 120 -7.945 3.579 8.427 1.00 0.00 H new ATOM 0 HB2 SER A 120 -5.488 1.857 8.800 1.00 0.00 H new ATOM 0 HB3 SER A 120 -5.731 3.333 9.713 1.00 0.00 H new ATOM 0 HG SER A 120 -7.063 0.885 9.892 1.00 0.00 H new ATOM 1075 N LEU A 121 -5.708 3.773 6.083 1.00 0.00 N ATOM 1076 CA LEU A 121 -4.899 4.664 5.297 1.00 0.00 C ATOM 1077 C LEU A 121 -5.765 5.156 4.207 1.00 0.00 C ATOM 1078 O LEU A 121 -5.292 5.684 3.204 1.00 0.00 O ATOM 1079 CB LEU A 121 -3.717 3.944 4.636 1.00 0.00 C ATOM 1080 CG LEU A 121 -2.825 3.213 5.637 1.00 0.00 C ATOM 1081 CD1 LEU A 121 -2.700 3.969 6.960 1.00 0.00 C ATOM 1082 CD2 LEU A 121 -3.339 1.812 5.964 1.00 0.00 C ATOM 0 H LEU A 121 -5.886 2.868 5.648 1.00 0.00 H new ATOM 0 HA LEU A 121 -4.506 5.449 5.943 1.00 0.00 H new ATOM 0 HB2 LEU A 121 -4.097 3.228 3.907 1.00 0.00 H new ATOM 0 HB3 LEU A 121 -3.118 4.670 4.087 1.00 0.00 H new ATOM 0 HG LEU A 121 -1.854 3.148 5.146 1.00 0.00 H new ATOM 0 HD11 LEU A 121 -2.056 3.410 7.639 1.00 0.00 H new ATOM 0 HD12 LEU A 121 -2.268 4.953 6.777 1.00 0.00 H new ATOM 0 HD13 LEU A 121 -3.687 4.084 7.408 1.00 0.00 H new ATOM 0 HD21 LEU A 121 -2.669 1.336 6.680 1.00 0.00 H new ATOM 0 HD22 LEU A 121 -4.338 1.882 6.394 1.00 0.00 H new ATOM 0 HD23 LEU A 121 -3.378 1.216 5.052 1.00 0.00 H new ATOM 1094 N ILE A 122 -7.073 4.950 4.399 1.00 0.00 N ATOM 1095 CA ILE A 122 -8.027 5.173 3.350 1.00 0.00 C ATOM 1096 C ILE A 122 -8.057 6.637 3.044 1.00 0.00 C ATOM 1097 O ILE A 122 -8.071 7.484 3.935 1.00 0.00 O ATOM 1098 CB ILE A 122 -9.431 4.642 3.672 1.00 0.00 C ATOM 1099 CG1 ILE A 122 -10.142 4.006 2.475 1.00 0.00 C ATOM 1100 CG2 ILE A 122 -10.386 5.670 4.307 1.00 0.00 C ATOM 1101 CD1 ILE A 122 -9.689 2.577 2.157 1.00 0.00 C ATOM 0 H ILE A 122 -7.478 4.629 5.278 1.00 0.00 H new ATOM 0 HA ILE A 122 -7.706 4.606 2.476 1.00 0.00 H new ATOM 0 HB ILE A 122 -9.213 3.875 4.415 1.00 0.00 H new ATOM 0 HG12 ILE A 122 -11.215 4.000 2.666 1.00 0.00 H new ATOM 0 HG13 ILE A 122 -9.978 4.630 1.597 1.00 0.00 H new ATOM 0 HG21 ILE A 122 -11.351 5.201 4.497 1.00 0.00 H new ATOM 0 HG22 ILE A 122 -9.964 6.026 5.247 1.00 0.00 H new ATOM 0 HG23 ILE A 122 -10.519 6.511 3.627 1.00 0.00 H new ATOM 0 HD11 ILE A 122 -10.243 2.203 1.296 1.00 0.00 H new ATOM 0 HD12 ILE A 122 -8.623 2.575 1.931 1.00 0.00 H new ATOM 0 HD13 ILE A 122 -9.879 1.935 3.017 1.00 0.00 H new ATOM 1113 N GLY A 123 -8.023 6.942 1.737 1.00 0.00 N ATOM 1114 CA GLY A 123 -8.124 8.301 1.278 1.00 0.00 C ATOM 1115 C GLY A 123 -6.749 8.902 1.307 1.00 0.00 C ATOM 1116 O GLY A 123 -6.595 10.101 1.518 1.00 0.00 O ATOM 0 H GLY A 123 -7.926 6.251 0.993 1.00 0.00 H new ATOM 0 HA2 GLY A 123 -8.533 8.333 0.268 1.00 0.00 H new ATOM 0 HA3 GLY A 123 -8.802 8.869 1.915 1.00 0.00 H new ATOM 1120 N GLU A 124 -5.709 8.080 1.060 1.00 0.00 N ATOM 1121 CA GLU A 124 -4.365 8.573 1.139 1.00 0.00 C ATOM 1122 C GLU A 124 -3.617 8.028 -0.039 1.00 0.00 C ATOM 1123 O GLU A 124 -4.206 7.522 -0.997 1.00 0.00 O ATOM 1124 CB GLU A 124 -3.628 8.094 2.397 1.00 0.00 C ATOM 1125 CG GLU A 124 -4.389 8.353 3.702 1.00 0.00 C ATOM 1126 CD GLU A 124 -4.036 9.749 4.199 1.00 0.00 C ATOM 1127 OE1 GLU A 124 -2.815 10.031 4.374 1.00 0.00 O ATOM 1128 OE2 GLU A 124 -4.975 10.548 4.450 1.00 0.00 O ATOM 0 H GLU A 124 -5.794 7.095 0.811 1.00 0.00 H new ATOM 0 HA GLU A 124 -4.410 9.662 1.162 1.00 0.00 H new ATOM 0 HB2 GLU A 124 -3.434 7.025 2.307 1.00 0.00 H new ATOM 0 HB3 GLU A 124 -2.659 8.590 2.449 1.00 0.00 H new ATOM 0 HG2 GLU A 124 -5.463 8.270 3.537 1.00 0.00 H new ATOM 0 HG3 GLU A 124 -4.123 7.606 4.450 1.00 0.00 H new ATOM 1135 N GLU A 125 -2.273 8.094 0.038 1.00 0.00 N ATOM 1136 CA GLU A 125 -1.440 7.468 -0.947 1.00 0.00 C ATOM 1137 C GLU A 125 -0.571 6.503 -0.225 1.00 0.00 C ATOM 1138 O GLU A 125 -0.185 6.742 0.920 1.00 0.00 O ATOM 1139 CB GLU A 125 -0.501 8.435 -1.683 1.00 0.00 C ATOM 1140 CG GLU A 125 -1.209 9.257 -2.760 1.00 0.00 C ATOM 1141 CD GLU A 125 -0.786 10.713 -2.608 1.00 0.00 C ATOM 1142 OE1 GLU A 125 -0.897 11.249 -1.469 1.00 0.00 O ATOM 1143 OE2 GLU A 125 -0.323 11.300 -3.620 1.00 0.00 O ATOM 0 H GLU A 125 -1.765 8.578 0.778 1.00 0.00 H new ATOM 0 HA GLU A 125 -2.100 7.021 -1.691 1.00 0.00 H new ATOM 0 HB2 GLU A 125 -0.046 9.111 -0.959 1.00 0.00 H new ATOM 0 HB3 GLU A 125 0.308 7.867 -2.142 1.00 0.00 H new ATOM 0 HG2 GLU A 125 -0.948 8.888 -3.752 1.00 0.00 H new ATOM 0 HG3 GLU A 125 -2.290 9.163 -2.659 1.00 0.00 H new ATOM 1150 N LEU A 126 -0.202 5.413 -0.919 1.00 0.00 N ATOM 1151 CA LEU A 126 0.712 4.468 -0.362 1.00 0.00 C ATOM 1152 C LEU A 126 1.750 4.175 -1.390 1.00 0.00 C ATOM 1153 O LEU A 126 1.557 4.406 -2.580 1.00 0.00 O ATOM 1154 CB LEU A 126 0.066 3.145 0.048 1.00 0.00 C ATOM 1155 CG LEU A 126 -0.485 3.168 1.472 1.00 0.00 C ATOM 1156 CD1 LEU A 126 -1.941 3.589 1.553 1.00 0.00 C ATOM 1157 CD2 LEU A 126 -0.155 1.907 2.269 1.00 0.00 C ATOM 0 H LEU A 126 -0.533 5.187 -1.857 1.00 0.00 H new ATOM 0 HA LEU A 126 1.121 4.915 0.544 1.00 0.00 H new ATOM 0 HB2 LEU A 126 -0.742 2.911 -0.645 1.00 0.00 H new ATOM 0 HB3 LEU A 126 0.802 2.345 -0.039 1.00 0.00 H new ATOM 0 HG LEU A 126 0.057 3.966 1.979 1.00 0.00 H new ATOM 0 HD11 LEU A 126 -2.264 3.582 2.594 1.00 0.00 H new ATOM 0 HD12 LEU A 126 -2.053 4.593 1.145 1.00 0.00 H new ATOM 0 HD13 LEU A 126 -2.553 2.894 0.979 1.00 0.00 H new ATOM 0 HD21 LEU A 126 -0.576 1.989 3.271 1.00 0.00 H new ATOM 0 HD22 LEU A 126 -0.580 1.038 1.767 1.00 0.00 H new ATOM 0 HD23 LEU A 126 0.927 1.793 2.338 1.00 0.00 H new ATOM 1169 N GLN A 127 2.900 3.659 -0.923 1.00 0.00 N ATOM 1170 CA GLN A 127 3.975 3.333 -1.811 1.00 0.00 C ATOM 1171 C GLN A 127 4.545 2.043 -1.327 1.00 0.00 C ATOM 1172 O GLN A 127 4.413 1.695 -0.158 1.00 0.00 O ATOM 1173 CB GLN A 127 5.105 4.378 -1.815 1.00 0.00 C ATOM 1174 CG GLN A 127 5.930 4.401 -3.113 1.00 0.00 C ATOM 1175 CD GLN A 127 7.397 4.600 -2.751 1.00 0.00 C ATOM 1176 OE1 GLN A 127 7.837 5.717 -2.475 1.00 0.00 O ATOM 1177 NE2 GLN A 127 8.192 3.501 -2.791 1.00 0.00 N ATOM 0 H GLN A 127 3.087 3.468 0.061 1.00 0.00 H new ATOM 0 HA GLN A 127 3.581 3.288 -2.826 1.00 0.00 H new ATOM 0 HB2 GLN A 127 4.673 5.366 -1.653 1.00 0.00 H new ATOM 0 HB3 GLN A 127 5.772 4.180 -0.976 1.00 0.00 H new ATOM 0 HG2 GLN A 127 5.799 3.468 -3.662 1.00 0.00 H new ATOM 0 HG3 GLN A 127 5.588 5.205 -3.765 1.00 0.00 H new ATOM 0 HE21 GLN A 127 7.793 2.591 -3.023 1.00 0.00 H new ATOM 0 HE22 GLN A 127 9.188 3.585 -2.589 1.00 0.00 H new ATOM 1186 N VAL A 128 5.187 1.292 -2.235 1.00 0.00 N ATOM 1187 CA VAL A 128 5.843 0.080 -1.845 1.00 0.00 C ATOM 1188 C VAL A 128 7.286 0.245 -2.192 1.00 0.00 C ATOM 1189 O VAL A 128 7.627 0.885 -3.186 1.00 0.00 O ATOM 1190 CB VAL A 128 5.273 -1.169 -2.536 1.00 0.00 C ATOM 1191 CG1 VAL A 128 6.148 -2.417 -2.383 1.00 0.00 C ATOM 1192 CG2 VAL A 128 3.909 -1.599 -1.992 1.00 0.00 C ATOM 0 H VAL A 128 5.254 1.517 -3.228 1.00 0.00 H new ATOM 0 HA VAL A 128 5.689 -0.081 -0.778 1.00 0.00 H new ATOM 0 HB VAL A 128 5.215 -0.844 -3.575 1.00 0.00 H new ATOM 0 HG11 VAL A 128 5.679 -3.256 -2.897 1.00 0.00 H new ATOM 0 HG12 VAL A 128 7.130 -2.228 -2.817 1.00 0.00 H new ATOM 0 HG13 VAL A 128 6.259 -2.656 -1.325 1.00 0.00 H new ATOM 0 HG21 VAL A 128 3.568 -2.486 -2.525 1.00 0.00 H new ATOM 0 HG22 VAL A 128 3.996 -1.826 -0.929 1.00 0.00 H new ATOM 0 HG23 VAL A 128 3.190 -0.792 -2.133 1.00 0.00 H new ATOM 1202 N ASP A 129 8.168 -0.307 -1.339 1.00 0.00 N ATOM 1203 CA ASP A 129 9.579 -0.152 -1.538 1.00 0.00 C ATOM 1204 C ASP A 129 10.203 -1.479 -1.240 1.00 0.00 C ATOM 1205 O ASP A 129 9.520 -2.495 -1.160 1.00 0.00 O ATOM 1206 CB ASP A 129 10.165 0.909 -0.584 1.00 0.00 C ATOM 1207 CG ASP A 129 10.924 1.933 -1.414 1.00 0.00 C ATOM 1208 OD1 ASP A 129 11.886 1.524 -2.114 1.00 0.00 O ATOM 1209 OD2 ASP A 129 10.536 3.132 -1.368 1.00 0.00 O ATOM 0 H ASP A 129 7.910 -0.856 -0.519 1.00 0.00 H new ATOM 0 HA ASP A 129 9.779 0.176 -2.558 1.00 0.00 H new ATOM 0 HB2 ASP A 129 9.368 1.393 -0.020 1.00 0.00 H new ATOM 0 HB3 ASP A 129 10.830 0.441 0.142 1.00 0.00 H new ATOM 1214 N PHE A 130 11.535 -1.494 -1.030 1.00 0.00 N ATOM 1215 CA PHE A 130 12.213 -2.721 -0.720 1.00 0.00 C ATOM 1216 C PHE A 130 11.851 -3.099 0.692 1.00 0.00 C ATOM 1217 O PHE A 130 11.217 -2.330 1.412 1.00 0.00 O ATOM 1218 CB PHE A 130 13.745 -2.625 -0.861 1.00 0.00 C ATOM 1219 CG PHE A 130 14.187 -1.322 -0.277 1.00 0.00 C ATOM 1220 CD1 PHE A 130 14.536 -1.225 1.074 1.00 0.00 C ATOM 1221 CD2 PHE A 130 14.307 -0.185 -1.063 1.00 0.00 C ATOM 1222 CE1 PHE A 130 14.928 -0.018 1.623 1.00 0.00 C ATOM 1223 CE2 PHE A 130 14.695 1.024 -0.511 1.00 0.00 C ATOM 1224 CZ PHE A 130 15.003 1.110 0.830 1.00 0.00 C ATOM 0 H PHE A 130 12.136 -0.671 -1.074 1.00 0.00 H new ATOM 0 HA PHE A 130 11.893 -3.478 -1.436 1.00 0.00 H new ATOM 0 HB2 PHE A 130 14.227 -3.456 -0.345 1.00 0.00 H new ATOM 0 HB3 PHE A 130 14.035 -2.689 -1.910 1.00 0.00 H new ATOM 0 HD1 PHE A 130 14.499 -2.106 1.698 1.00 0.00 H new ATOM 0 HD2 PHE A 130 14.095 -0.244 -2.120 1.00 0.00 H new ATOM 0 HE1 PHE A 130 15.176 0.043 2.672 1.00 0.00 H new ATOM 0 HE2 PHE A 130 14.757 1.904 -1.134 1.00 0.00 H new ATOM 0 HZ PHE A 130 15.302 2.055 1.258 1.00 0.00 H new ATOM 1234 N LEU A 131 12.250 -4.318 1.108 1.00 0.00 N ATOM 1235 CA LEU A 131 11.866 -4.822 2.393 1.00 0.00 C ATOM 1236 C LEU A 131 12.751 -4.187 3.432 1.00 0.00 C ATOM 1237 O LEU A 131 12.948 -2.975 3.472 1.00 0.00 O ATOM 1238 CB LEU A 131 11.925 -6.362 2.475 1.00 0.00 C ATOM 1239 CG LEU A 131 13.068 -6.996 1.670 1.00 0.00 C ATOM 1240 CD1 LEU A 131 14.467 -6.473 2.030 1.00 0.00 C ATOM 1241 CD2 LEU A 131 13.110 -8.524 1.782 1.00 0.00 C ATOM 0 H LEU A 131 12.834 -4.950 0.559 1.00 0.00 H new ATOM 0 HA LEU A 131 10.823 -4.560 2.572 1.00 0.00 H new ATOM 0 HB2 LEU A 131 12.027 -6.655 3.520 1.00 0.00 H new ATOM 0 HB3 LEU A 131 10.978 -6.769 2.121 1.00 0.00 H new ATOM 0 HG LEU A 131 12.831 -6.697 0.649 1.00 0.00 H new ATOM 0 HD11 LEU A 131 15.213 -6.975 1.414 1.00 0.00 H new ATOM 0 HD12 LEU A 131 14.511 -5.399 1.851 1.00 0.00 H new ATOM 0 HD13 LEU A 131 14.671 -6.674 3.082 1.00 0.00 H new ATOM 0 HD21 LEU A 131 13.940 -8.910 1.190 1.00 0.00 H new ATOM 0 HD22 LEU A 131 13.245 -8.809 2.825 1.00 0.00 H new ATOM 0 HD23 LEU A 131 12.175 -8.942 1.410 1.00 0.00 H new ATOM 1253 N ASP A 132 13.275 -5.006 4.358 1.00 0.00 N ATOM 1254 CA ASP A 132 14.064 -4.494 5.441 1.00 0.00 C ATOM 1255 C ASP A 132 15.451 -5.148 5.347 1.00 0.00 C ATOM 1256 O ASP A 132 16.457 -4.396 5.263 1.00 0.00 O ATOM 1257 CB ASP A 132 13.468 -4.837 6.815 1.00 0.00 C ATOM 1258 CG ASP A 132 12.139 -4.108 6.953 1.00 0.00 C ATOM 1259 OD1 ASP A 132 12.157 -2.891 7.275 1.00 0.00 O ATOM 1260 OD2 ASP A 132 11.071 -4.760 6.787 1.00 0.00 O ATOM 1261 OXT ASP A 132 15.514 -6.407 5.388 1.00 0.00 O ATOM 0 H ASP A 132 13.155 -6.019 4.361 1.00 0.00 H new ATOM 0 HA ASP A 132 14.102 -3.408 5.357 1.00 0.00 H new ATOM 0 HB2 ASP A 132 13.323 -5.913 6.908 1.00 0.00 H new ATOM 0 HB3 ASP A 132 14.150 -4.537 7.611 1.00 0.00 H new TER 1266 ASP A 132