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+ 157:sc= 2.09 (180deg=0.104) USER MOD Set 1.2: A 127 GLN : amide:sc= 2.6 K(o=4.7,f=-17!) USER MOD Set 2.1: A 92 GLN : amide:sc= 0.853 K(o=1.8,f=-2.5!) USER MOD Set 2.2: A 95 CYS SG : rot 122:sc= 0.986 USER MOD Set 3.1: A 77 SER OG : rot 88:sc= 1.25 USER MOD Set 3.2: A 115 ASN : amide:sc= 0.265 X(o=1.5,f=1.2) USER MOD Set 4.1: A 56 ASN : amide:sc= 1.74 K(o=1.6,f=-4.4!) USER MOD Set 4.2: A 71 ASN : amide:sc= -0.103 K(o=1.6,f=0.45) USER MOD Set 5.1: A 55 SER OG : rot 180:sc= 0.0277 USER MOD Set 5.2: A 57 THR OG1 : rot -152:sc= 0.991 USER MOD Single : A 64 ASN : amide:sc= 0.415 X(o=0.41,f=0) USER MOD Single : A 65 LYS NZ :NH3+ -117:sc= 1.16 (180deg=-0.991) USER MOD Single : A 66 GLN : amide:sc= -1.05! C(o=-1.1!,f=-5.3!) USER MOD Single : A 68 THR OG1 : rot 180:sc=-0.00692 USER MOD Single : A 74 ASN : amide:sc= -0.193 K(o=-0.19,f=-5.3!) USER MOD Single : A 76 MET CE :methyl -157:sc= 0 (180deg=-0.0735) USER MOD Single : A 79 HIS :FLIP no HE2:sc= -5.14! C(o=-6.3!,f=-5.1!) USER MOD Single : A 81 CYS SG : rot -23:sc= -0.0111 USER MOD Single : A 83 MET CE :methyl -151:sc= -0.133 (180deg=-1.34) 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 96 CYS SG : rot 110:sc= 0.216 USER MOD Single : A 103 HIS : +bothHN:sc= 1.22 K(o=1.2,f=-8.7!) USER MOD Single : A 105 HIS : no HE2:sc= -4.02! X(o=-4!,f=-3.6) 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 180:sc= -0.249 USER MOD Single : A 120 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 55 -12.830 7.764 2.836 1.00 0.00 N ATOM 2 CA SER A 55 -12.647 7.176 1.508 1.00 0.00 C ATOM 3 C SER A 55 -12.726 5.683 1.584 1.00 0.00 C ATOM 4 O SER A 55 -13.007 5.111 2.636 1.00 0.00 O ATOM 5 CB SER A 55 -11.267 7.555 0.938 1.00 0.00 C ATOM 6 OG SER A 55 -11.251 7.384 -0.476 1.00 0.00 O ATOM 0 HA SER A 55 -13.436 7.560 0.862 1.00 0.00 H new ATOM 0 HB2 SER A 55 -11.035 8.590 1.188 1.00 0.00 H new ATOM 0 HB3 SER A 55 -10.495 6.936 1.395 1.00 0.00 H new ATOM 0 HG SER A 55 -10.369 7.630 -0.825 1.00 0.00 H new ATOM 14 N ASN A 56 -12.484 5.024 0.439 1.00 0.00 N ATOM 15 CA ASN A 56 -12.411 3.594 0.403 1.00 0.00 C ATOM 16 C ASN A 56 -11.389 3.257 -0.640 1.00 0.00 C ATOM 17 O ASN A 56 -11.351 2.153 -1.179 1.00 0.00 O ATOM 18 CB ASN A 56 -13.768 2.960 0.062 1.00 0.00 C ATOM 19 CG ASN A 56 -13.741 1.491 0.470 1.00 0.00 C ATOM 20 OD1 ASN A 56 -13.956 1.150 1.634 1.00 0.00 O ATOM 21 ND2 ASN A 56 -13.554 0.586 -0.524 1.00 0.00 N ATOM 0 H ASN A 56 -12.339 5.478 -0.463 1.00 0.00 H new ATOM 0 HA ASN A 56 -12.135 3.199 1.381 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -14.570 3.482 0.584 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -13.970 3.052 -1.005 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -13.589 -0.412 -0.318 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -13.378 0.904 -1.477 1.00 0.00 H new ATOM 28 N THR A 57 -10.487 4.220 -0.911 1.00 0.00 N ATOM 29 CA THR A 57 -9.546 4.062 -1.979 1.00 0.00 C ATOM 30 C THR A 57 -8.213 4.509 -1.465 1.00 0.00 C ATOM 31 O THR A 57 -8.114 5.495 -0.735 1.00 0.00 O ATOM 32 CB THR A 57 -9.900 4.911 -3.212 1.00 0.00 C ATOM 33 OG1 THR A 57 -9.873 6.298 -2.887 1.00 0.00 O ATOM 34 CG2 THR A 57 -11.318 4.665 -3.735 1.00 0.00 C ATOM 0 H THR A 57 -10.409 5.098 -0.398 1.00 0.00 H new ATOM 0 HA THR A 57 -9.550 3.018 -2.292 1.00 0.00 H new ATOM 0 HB THR A 57 -9.162 4.627 -3.962 1.00 0.00 H new ATOM 0 HG1 THR A 57 -10.491 6.783 -3.472 1.00 0.00 H new ATOM 0 HG21 THR A 57 -11.500 5.296 -4.605 1.00 0.00 H new ATOM 0 HG22 THR A 57 -11.425 3.618 -4.018 1.00 0.00 H new ATOM 0 HG23 THR A 57 -12.040 4.905 -2.955 1.00 0.00 H new ATOM 42 N ILE A 58 -7.146 3.780 -1.844 1.00 0.00 N ATOM 43 CA ILE A 58 -5.815 4.233 -1.561 1.00 0.00 C ATOM 44 C ILE A 58 -5.019 4.001 -2.801 1.00 0.00 C ATOM 45 O ILE A 58 -5.406 3.204 -3.659 1.00 0.00 O ATOM 46 CB ILE A 58 -5.114 3.550 -0.371 1.00 0.00 C ATOM 47 CG1 ILE A 58 -6.081 2.880 0.613 1.00 0.00 C ATOM 48 CG2 ILE A 58 -4.179 4.499 0.411 1.00 0.00 C ATOM 49 CD1 ILE A 58 -6.530 1.480 0.178 1.00 0.00 C ATOM 0 H ILE A 58 -7.201 2.890 -2.339 1.00 0.00 H new ATOM 0 HA ILE A 58 -5.884 5.280 -1.268 1.00 0.00 H new ATOM 0 HB ILE A 58 -4.512 2.772 -0.841 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -5.602 2.811 1.590 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -6.960 3.513 0.733 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -3.717 3.956 1.236 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -3.403 4.876 -0.255 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -4.756 5.335 0.805 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -7.212 1.069 0.922 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -7.038 1.544 -0.784 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -5.659 0.831 0.086 1.00 0.00 H new ATOM 61 N ARG A 59 -3.894 4.724 -2.952 1.00 0.00 N ATOM 62 CA ARG A 59 -3.172 4.664 -4.183 1.00 0.00 C ATOM 63 C ARG A 59 -1.882 3.989 -3.916 1.00 0.00 C ATOM 64 O ARG A 59 -1.119 4.407 -3.060 1.00 0.00 O ATOM 65 CB ARG A 59 -2.913 6.055 -4.744 1.00 0.00 C ATOM 66 CG ARG A 59 -4.189 6.715 -5.257 1.00 0.00 C ATOM 67 CD ARG A 59 -4.437 8.113 -4.681 1.00 0.00 C ATOM 68 NE ARG A 59 -5.897 8.403 -4.819 1.00 0.00 N ATOM 69 CZ ARG A 59 -6.804 7.813 -3.991 1.00 0.00 C ATOM 70 NH1 ARG A 59 -6.426 7.298 -2.803 1.00 0.00 N ATOM 71 NH2 ARG A 59 -8.127 7.953 -4.227 1.00 0.00 N ATOM 0 H ARG A 59 -3.493 5.335 -2.241 1.00 0.00 H new ATOM 0 HA ARG A 59 -3.759 4.117 -4.921 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -2.468 6.680 -3.970 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -2.188 5.989 -5.556 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -4.140 6.784 -6.344 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -5.039 6.077 -5.016 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -4.135 8.156 -3.635 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -3.846 8.858 -5.214 1.00 0.00 H new ATOM 0 HE ARG A 59 -6.217 9.049 -5.540 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -5.449 7.347 -2.513 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -7.117 6.859 -2.194 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -8.447 8.501 -5.026 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -8.805 7.511 -3.607 1.00 0.00 H new ATOM 85 N VAL A 60 -1.590 2.954 -4.714 1.00 0.00 N ATOM 86 CA VAL A 60 -0.369 2.223 -4.549 1.00 0.00 C ATOM 87 C VAL A 60 0.616 2.802 -5.511 1.00 0.00 C ATOM 88 O VAL A 60 0.257 3.140 -6.632 1.00 0.00 O ATOM 89 CB VAL A 60 -0.518 0.722 -4.838 1.00 0.00 C ATOM 90 CG1 VAL A 60 0.733 -0.096 -4.490 1.00 0.00 C ATOM 91 CG2 VAL A 60 -1.722 0.089 -4.126 1.00 0.00 C ATOM 0 H VAL A 60 -2.190 2.621 -5.469 1.00 0.00 H new ATOM 0 HA VAL A 60 -0.051 2.310 -3.510 1.00 0.00 H new ATOM 0 HB VAL A 60 -0.675 0.683 -5.916 1.00 0.00 H new ATOM 0 HG11 VAL A 60 0.556 -1.147 -4.720 1.00 0.00 H new ATOM 0 HG12 VAL A 60 1.579 0.266 -5.075 1.00 0.00 H new ATOM 0 HG13 VAL A 60 0.954 0.011 -3.428 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -1.773 -0.972 -4.370 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -1.611 0.208 -3.048 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -2.638 0.581 -4.453 1.00 0.00 H new ATOM 101 N PHE A 61 1.869 2.978 -5.052 1.00 0.00 N ATOM 102 CA PHE A 61 2.905 3.470 -5.913 1.00 0.00 C ATOM 103 C PHE A 61 3.998 2.452 -5.877 1.00 0.00 C ATOM 104 O PHE A 61 4.296 1.883 -4.826 1.00 0.00 O ATOM 105 CB PHE A 61 3.484 4.809 -5.434 1.00 0.00 C ATOM 106 CG PHE A 61 2.588 5.898 -5.922 1.00 0.00 C ATOM 107 CD1 PHE A 61 1.357 6.141 -5.305 1.00 0.00 C ATOM 108 CD2 PHE A 61 2.975 6.738 -6.956 1.00 0.00 C ATOM 109 CE1 PHE A 61 0.568 7.207 -5.686 1.00 0.00 C ATOM 110 CE2 PHE A 61 2.180 7.805 -7.339 1.00 0.00 C ATOM 111 CZ PHE A 61 0.985 8.047 -6.697 1.00 0.00 C ATOM 0 H PHE A 61 2.165 2.783 -4.096 1.00 0.00 H new ATOM 0 HA PHE A 61 2.494 3.632 -6.909 1.00 0.00 H new ATOM 0 HB2 PHE A 61 3.550 4.828 -4.346 1.00 0.00 H new ATOM 0 HB3 PHE A 61 4.495 4.946 -5.818 1.00 0.00 H new ATOM 0 HD1 PHE A 61 1.018 5.484 -4.518 1.00 0.00 H new ATOM 0 HD2 PHE A 61 3.908 6.557 -7.469 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -0.376 7.383 -5.192 1.00 0.00 H new ATOM 0 HE2 PHE A 61 2.498 8.450 -8.144 1.00 0.00 H new ATOM 0 HZ PHE A 61 0.377 8.892 -6.985 1.00 0.00 H new ATOM 121 N LEU A 62 4.628 2.180 -7.039 1.00 0.00 N ATOM 122 CA LEU A 62 5.527 1.066 -7.109 1.00 0.00 C ATOM 123 C LEU A 62 6.912 1.578 -6.828 1.00 0.00 C ATOM 124 O LEU A 62 7.197 2.772 -6.944 1.00 0.00 O ATOM 125 CB LEU A 62 5.528 0.395 -8.488 1.00 0.00 C ATOM 126 CG LEU A 62 4.326 -0.524 -8.744 1.00 0.00 C ATOM 127 CD1 LEU A 62 4.730 -1.973 -9.015 1.00 0.00 C ATOM 128 CD2 LEU A 62 3.203 -0.436 -7.695 1.00 0.00 C ATOM 0 H LEU A 62 4.521 2.712 -7.903 1.00 0.00 H new ATOM 0 HA LEU A 62 5.204 0.321 -6.382 1.00 0.00 H new ATOM 0 HB2 LEU A 62 5.549 1.169 -9.256 1.00 0.00 H new ATOM 0 HB3 LEU A 62 6.444 -0.186 -8.596 1.00 0.00 H new ATOM 0 HG LEU A 62 3.892 -0.125 -9.661 1.00 0.00 H new ATOM 0 HD11 LEU A 62 3.837 -2.573 -9.188 1.00 0.00 H new ATOM 0 HD12 LEU A 62 5.371 -2.013 -9.896 1.00 0.00 H new ATOM 0 HD13 LEU A 62 5.271 -2.367 -8.154 1.00 0.00 H new ATOM 0 HD21 LEU A 62 2.400 -1.122 -7.964 1.00 0.00 H new ATOM 0 HD22 LEU A 62 3.598 -0.706 -6.716 1.00 0.00 H new ATOM 0 HD23 LEU A 62 2.815 0.582 -7.662 1.00 0.00 H new ATOM 140 N PRO A 63 7.788 0.601 -6.621 1.00 0.00 N ATOM 141 CA PRO A 63 9.128 1.107 -6.411 1.00 0.00 C ATOM 142 C PRO A 63 9.699 1.285 -7.798 1.00 0.00 C ATOM 143 O PRO A 63 10.794 1.822 -7.965 1.00 0.00 O ATOM 144 CB PRO A 63 9.879 -0.003 -5.707 1.00 0.00 C ATOM 145 CG PRO A 63 8.830 -0.993 -5.203 1.00 0.00 C ATOM 146 CD PRO A 63 7.485 -0.517 -5.749 1.00 0.00 C ATOM 0 HA PRO A 63 9.177 2.032 -5.837 1.00 0.00 H new ATOM 0 HB2 PRO A 63 10.576 -0.491 -6.388 1.00 0.00 H new ATOM 0 HB3 PRO A 63 10.467 0.393 -4.879 1.00 0.00 H new ATOM 0 HG2 PRO A 63 9.053 -2.003 -5.547 1.00 0.00 H new ATOM 0 HG3 PRO A 63 8.817 -1.023 -4.113 1.00 0.00 H new ATOM 0 HD2 PRO A 63 6.980 -1.314 -6.295 1.00 0.00 H new ATOM 0 HD3 PRO A 63 6.820 -0.214 -4.941 1.00 0.00 H new ATOM 154 N ASN A 64 8.945 0.877 -8.843 1.00 0.00 N ATOM 155 CA ASN A 64 9.369 1.102 -10.193 1.00 0.00 C ATOM 156 C ASN A 64 8.732 2.388 -10.650 1.00 0.00 C ATOM 157 O ASN A 64 8.576 2.622 -11.848 1.00 0.00 O ATOM 158 CB ASN A 64 8.938 -0.039 -11.136 1.00 0.00 C ATOM 159 CG ASN A 64 10.010 -0.218 -12.205 1.00 0.00 C ATOM 160 OD1 ASN A 64 10.846 -1.117 -12.119 1.00 0.00 O ATOM 161 ND2 ASN A 64 9.983 0.653 -13.247 1.00 0.00 N ATOM 0 H ASN A 64 8.050 0.396 -8.752 1.00 0.00 H new ATOM 0 HA ASN A 64 10.458 1.149 -10.223 1.00 0.00 H new ATOM 0 HB2 ASN A 64 8.805 -0.964 -10.575 1.00 0.00 H new ATOM 0 HB3 ASN A 64 7.979 0.194 -11.598 1.00 0.00 H new ATOM 0 HD21 ASN A 64 10.672 0.575 -13.995 1.00 0.00 H new ATOM 0 HD22 ASN A 64 9.273 1.385 -13.282 1.00 0.00 H new ATOM 168 N LYS A 65 8.275 3.214 -9.680 1.00 0.00 N ATOM 169 CA LYS A 65 7.773 4.528 -9.977 1.00 0.00 C ATOM 170 C LYS A 65 6.366 4.392 -10.472 1.00 0.00 C ATOM 171 O LYS A 65 5.721 5.383 -10.809 1.00 0.00 O ATOM 172 CB LYS A 65 8.601 5.343 -10.978 1.00 0.00 C ATOM 173 CG LYS A 65 10.109 5.289 -10.711 1.00 0.00 C ATOM 174 CD LYS A 65 10.537 6.056 -9.453 1.00 0.00 C ATOM 175 CE LYS A 65 10.811 5.157 -8.242 1.00 0.00 C ATOM 176 NZ LYS A 65 11.919 4.251 -8.528 1.00 0.00 N ATOM 0 H LYS A 65 8.254 2.970 -8.690 1.00 0.00 H new ATOM 0 HA LYS A 65 7.833 5.094 -9.048 1.00 0.00 H new ATOM 0 HB2 LYS A 65 8.405 4.974 -11.985 1.00 0.00 H new ATOM 0 HB3 LYS A 65 8.272 6.382 -10.949 1.00 0.00 H new ATOM 0 HG2 LYS A 65 10.415 4.247 -10.613 1.00 0.00 H new ATOM 0 HG3 LYS A 65 10.637 5.697 -11.573 1.00 0.00 H new ATOM 0 HD2 LYS A 65 11.436 6.631 -9.678 1.00 0.00 H new ATOM 0 HD3 LYS A 65 9.757 6.772 -9.193 1.00 0.00 H new ATOM 0 HE2 LYS A 65 11.047 5.769 -7.372 1.00 0.00 H new ATOM 0 HE3 LYS A 65 9.917 4.584 -7.996 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 11.580 3.268 -8.501 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 12.302 4.459 -9.472 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 12.665 4.380 -7.815 1.00 0.00 H new ATOM 190 N GLN A 66 5.840 3.152 -10.469 1.00 0.00 N ATOM 191 CA GLN A 66 4.535 2.906 -11.011 1.00 0.00 C ATOM 192 C GLN A 66 3.533 3.139 -9.940 1.00 0.00 C ATOM 193 O GLN A 66 3.832 3.727 -8.907 1.00 0.00 O ATOM 194 CB GLN A 66 4.363 1.491 -11.575 1.00 0.00 C ATOM 195 CG GLN A 66 4.515 1.418 -13.091 1.00 0.00 C ATOM 196 CD GLN A 66 3.206 1.874 -13.719 1.00 0.00 C ATOM 197 OE1 GLN A 66 2.883 3.063 -13.724 1.00 0.00 O ATOM 198 NE2 GLN A 66 2.388 0.902 -14.197 1.00 0.00 N ATOM 0 H GLN A 66 6.311 2.328 -10.096 1.00 0.00 H new ATOM 0 HA GLN A 66 4.394 3.588 -11.850 1.00 0.00 H new ATOM 0 HB2 GLN A 66 5.097 0.832 -11.112 1.00 0.00 H new ATOM 0 HB3 GLN A 66 3.378 1.115 -11.298 1.00 0.00 H new ATOM 0 HG2 GLN A 66 5.337 2.052 -13.422 1.00 0.00 H new ATOM 0 HG3 GLN A 66 4.752 0.400 -13.401 1.00 0.00 H new ATOM 0 HE21 GLN A 66 2.688 -0.073 -14.177 1.00 0.00 H new ATOM 0 HE22 GLN A 66 1.473 1.146 -14.576 1.00 0.00 H new ATOM 207 N ARG A 67 2.261 2.811 -10.236 1.00 0.00 N ATOM 208 CA ARG A 67 1.222 3.067 -9.292 1.00 0.00 C ATOM 209 C ARG A 67 -0.035 2.434 -9.801 1.00 0.00 C ATOM 210 O ARG A 67 -0.098 1.959 -10.936 1.00 0.00 O ATOM 211 CB ARG A 67 0.958 4.560 -9.091 1.00 0.00 C ATOM 212 CG ARG A 67 0.736 5.330 -10.396 1.00 0.00 C ATOM 213 CD ARG A 67 1.960 6.129 -10.848 1.00 0.00 C ATOM 214 NE ARG A 67 2.345 5.630 -12.202 1.00 0.00 N ATOM 215 CZ ARG A 67 3.305 6.263 -12.930 1.00 0.00 C ATOM 216 NH1 ARG A 67 3.807 7.446 -12.530 1.00 0.00 N ATOM 217 NH2 ARG A 67 3.709 5.733 -14.106 1.00 0.00 N ATOM 0 H ARG A 67 1.959 2.378 -11.109 1.00 0.00 H new ATOM 0 HA ARG A 67 1.535 2.655 -8.333 1.00 0.00 H new ATOM 0 HB2 ARG A 67 0.082 4.682 -8.455 1.00 0.00 H new ATOM 0 HB3 ARG A 67 1.802 5.000 -8.559 1.00 0.00 H new ATOM 0 HG2 ARG A 67 0.461 4.626 -11.182 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -0.106 6.011 -10.268 1.00 0.00 H new ATOM 0 HD2 ARG A 67 1.732 7.194 -10.882 1.00 0.00 H new ATOM 0 HD3 ARG A 67 2.782 6.002 -10.144 1.00 0.00 H new ATOM 0 HE ARG A 67 1.883 4.805 -12.586 1.00 0.00 H new ATOM 0 HH11 ARG A 67 3.468 7.880 -11.671 1.00 0.00 H new ATOM 0 HH12 ARG A 67 4.526 7.909 -13.086 1.00 0.00 H new ATOM 0 HH21 ARG A 67 3.295 4.864 -14.443 1.00 0.00 H new ATOM 0 HH22 ARG A 67 4.428 6.202 -14.657 1.00 0.00 H new ATOM 231 N THR A 68 -1.061 2.412 -8.931 1.00 0.00 N ATOM 232 CA THR A 68 -2.373 1.985 -9.319 1.00 0.00 C ATOM 233 C THR A 68 -3.275 2.301 -8.167 1.00 0.00 C ATOM 234 O THR A 68 -2.819 2.478 -7.038 1.00 0.00 O ATOM 235 CB THR A 68 -2.485 0.489 -9.661 1.00 0.00 C ATOM 236 OG1 THR A 68 -3.785 0.188 -10.151 1.00 0.00 O ATOM 237 CG2 THR A 68 -2.165 -0.449 -8.491 1.00 0.00 C ATOM 0 H THR A 68 -0.982 2.691 -7.953 1.00 0.00 H new ATOM 0 HA THR A 68 -2.643 2.505 -10.238 1.00 0.00 H new ATOM 0 HB THR A 68 -1.729 0.311 -10.426 1.00 0.00 H new ATOM 0 HG1 THR A 68 -3.841 -0.767 -10.366 1.00 0.00 H new ATOM 0 HG21 THR A 68 -2.267 -1.484 -8.816 1.00 0.00 H new ATOM 0 HG22 THR A 68 -1.143 -0.274 -8.153 1.00 0.00 H new ATOM 0 HG23 THR A 68 -2.856 -0.256 -7.671 1.00 0.00 H new ATOM 245 N VAL A 69 -4.593 2.401 -8.423 1.00 0.00 N ATOM 246 CA VAL A 69 -5.513 2.683 -7.359 1.00 0.00 C ATOM 247 C VAL A 69 -6.105 1.382 -6.928 1.00 0.00 C ATOM 248 O VAL A 69 -6.277 0.464 -7.731 1.00 0.00 O ATOM 249 CB VAL A 69 -6.630 3.669 -7.729 1.00 0.00 C ATOM 250 CG1 VAL A 69 -7.274 3.388 -9.092 1.00 0.00 C ATOM 251 CG2 VAL A 69 -7.693 3.858 -6.627 1.00 0.00 C ATOM 0 H VAL A 69 -5.016 2.290 -9.344 1.00 0.00 H new ATOM 0 HA VAL A 69 -4.957 3.173 -6.560 1.00 0.00 H new ATOM 0 HB VAL A 69 -6.112 4.624 -7.819 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -8.054 4.125 -9.285 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -6.516 3.450 -9.872 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -7.711 2.389 -9.089 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -8.446 4.569 -6.966 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -8.168 2.901 -6.412 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -7.217 4.238 -5.723 1.00 0.00 H new ATOM 261 N VAL A 70 -6.406 1.279 -5.621 1.00 0.00 N ATOM 262 CA VAL A 70 -6.934 0.061 -5.087 1.00 0.00 C ATOM 263 C VAL A 70 -8.048 0.427 -4.159 1.00 0.00 C ATOM 264 O VAL A 70 -8.130 1.560 -3.681 1.00 0.00 O ATOM 265 CB VAL A 70 -5.892 -0.753 -4.310 1.00 0.00 C ATOM 266 CG1 VAL A 70 -4.779 -1.309 -5.203 1.00 0.00 C ATOM 267 CG2 VAL A 70 -5.224 0.028 -3.166 1.00 0.00 C ATOM 0 H VAL A 70 -6.286 2.029 -4.940 1.00 0.00 H new ATOM 0 HA VAL A 70 -7.268 -0.561 -5.917 1.00 0.00 H new ATOM 0 HB VAL A 70 -6.476 -1.572 -3.891 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -4.073 -1.875 -4.595 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -5.212 -1.963 -5.960 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -4.258 -0.485 -5.691 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -4.500 -0.612 -2.663 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -4.715 0.903 -3.571 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -5.983 0.348 -2.452 1.00 0.00 H new ATOM 277 N ASN A 71 -8.926 -0.553 -3.875 1.00 0.00 N ATOM 278 CA ASN A 71 -10.003 -0.333 -2.955 1.00 0.00 C ATOM 279 C ASN A 71 -9.812 -1.309 -1.839 1.00 0.00 C ATOM 280 O ASN A 71 -9.160 -2.339 -2.011 1.00 0.00 O ATOM 281 CB ASN A 71 -11.383 -0.617 -3.576 1.00 0.00 C ATOM 282 CG ASN A 71 -11.762 0.558 -4.467 1.00 0.00 C ATOM 283 OD1 ASN A 71 -12.546 1.423 -4.075 1.00 0.00 O ATOM 284 ND2 ASN A 71 -11.239 0.566 -5.722 1.00 0.00 N ATOM 0 H ASN A 71 -8.892 -1.490 -4.277 1.00 0.00 H new ATOM 0 HA ASN A 71 -9.985 0.711 -2.641 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -11.355 -1.539 -4.157 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -12.129 -0.756 -2.794 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -11.493 1.306 -6.376 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -10.592 -0.168 -6.010 1.00 0.00 H new ATOM 291 N VAL A 72 -10.396 -1.008 -0.663 1.00 0.00 N ATOM 292 CA VAL A 72 -10.273 -1.900 0.454 1.00 0.00 C ATOM 293 C VAL A 72 -11.653 -2.355 0.817 1.00 0.00 C ATOM 294 O VAL A 72 -12.648 -1.874 0.275 1.00 0.00 O ATOM 295 CB VAL A 72 -9.593 -1.260 1.678 1.00 0.00 C ATOM 296 CG1 VAL A 72 -10.520 -0.363 2.506 1.00 0.00 C ATOM 297 CG2 VAL A 72 -8.951 -2.274 2.636 1.00 0.00 C ATOM 0 H VAL A 72 -10.943 -0.165 -0.485 1.00 0.00 H new ATOM 0 HA VAL A 72 -9.632 -2.731 0.161 1.00 0.00 H new ATOM 0 HB VAL A 72 -8.813 -0.651 1.220 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -9.968 0.050 3.350 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -10.892 0.450 1.882 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -11.360 -0.951 2.875 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -8.493 -1.745 3.472 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -9.715 -2.954 3.012 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -8.188 -2.843 2.105 1.00 0.00 H new ATOM 307 N ARG A 73 -11.737 -3.314 1.758 1.00 0.00 N ATOM 308 CA ARG A 73 -13.007 -3.719 2.278 1.00 0.00 C ATOM 309 C ARG A 73 -12.755 -4.269 3.644 1.00 0.00 C ATOM 310 O ARG A 73 -11.608 -4.390 4.076 1.00 0.00 O ATOM 311 CB ARG A 73 -13.712 -4.787 1.424 1.00 0.00 C ATOM 312 CG ARG A 73 -14.924 -4.254 0.646 1.00 0.00 C ATOM 313 CD ARG A 73 -16.008 -3.630 1.537 1.00 0.00 C ATOM 314 NE ARG A 73 -15.706 -2.172 1.662 1.00 0.00 N ATOM 315 CZ ARG A 73 -16.415 -1.385 2.518 1.00 0.00 C ATOM 316 NH1 ARG A 73 -17.262 -1.924 3.417 1.00 0.00 N ATOM 317 NH2 ARG A 73 -16.172 -0.056 2.569 1.00 0.00 N ATOM 0 H ARG A 73 -10.935 -3.804 2.155 1.00 0.00 H new ATOM 0 HA ARG A 73 -13.671 -2.854 2.283 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -12.995 -5.207 0.719 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -14.037 -5.601 2.072 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -14.583 -3.508 -0.072 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -15.364 -5.070 0.073 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -16.996 -3.780 1.101 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -16.017 -4.105 2.518 1.00 0.00 H new ATOM 0 HE ARG A 73 -14.960 -1.761 1.100 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -17.380 -2.936 3.464 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -17.785 -1.320 4.051 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -15.459 0.356 1.967 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -16.702 0.535 3.209 1.00 0.00 H new ATOM 331 N ASN A 74 -13.836 -4.646 4.352 1.00 0.00 N ATOM 332 CA ASN A 74 -13.699 -5.122 5.698 1.00 0.00 C ATOM 333 C ASN A 74 -13.203 -6.534 5.624 1.00 0.00 C ATOM 334 O ASN A 74 -13.882 -7.415 5.099 1.00 0.00 O ATOM 335 CB ASN A 74 -15.014 -5.127 6.495 1.00 0.00 C ATOM 336 CG ASN A 74 -15.820 -3.895 6.101 1.00 0.00 C ATOM 337 OD1 ASN A 74 -16.613 -3.932 5.159 1.00 0.00 O ATOM 338 ND2 ASN A 74 -15.592 -2.759 6.814 1.00 0.00 N ATOM 0 H ASN A 74 -14.793 -4.623 4.000 1.00 0.00 H new ATOM 0 HA ASN A 74 -13.017 -4.447 6.215 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -15.581 -6.034 6.285 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -14.809 -5.120 7.565 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -16.086 -1.899 6.575 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -14.928 -2.767 7.588 1.00 0.00 H new ATOM 345 N GLY A 75 -11.978 -6.764 6.132 1.00 0.00 N ATOM 346 CA GLY A 75 -11.412 -8.083 6.099 1.00 0.00 C ATOM 347 C GLY A 75 -10.168 -8.016 5.276 1.00 0.00 C ATOM 348 O GLY A 75 -9.369 -8.949 5.270 1.00 0.00 O ATOM 0 H GLY A 75 -11.386 -6.052 6.559 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -11.186 -8.429 7.108 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -12.119 -8.793 5.669 1.00 0.00 H new ATOM 352 N MET A 76 -9.986 -6.903 4.541 1.00 0.00 N ATOM 353 CA MET A 76 -8.876 -6.803 3.638 1.00 0.00 C ATOM 354 C MET A 76 -7.683 -6.369 4.418 1.00 0.00 C ATOM 355 O MET A 76 -7.792 -5.798 5.502 1.00 0.00 O ATOM 356 CB MET A 76 -9.069 -5.809 2.485 1.00 0.00 C ATOM 357 CG MET A 76 -10.015 -6.326 1.400 1.00 0.00 C ATOM 358 SD MET A 76 -9.700 -5.447 -0.164 1.00 0.00 S ATOM 359 CE MET A 76 -10.826 -6.365 -1.261 1.00 0.00 C ATOM 0 H MET A 76 -10.594 -6.085 4.569 1.00 0.00 H new ATOM 0 HA MET A 76 -8.764 -7.787 3.183 1.00 0.00 H new ATOM 0 HB2 MET A 76 -9.459 -4.872 2.882 1.00 0.00 H new ATOM 0 HB3 MET A 76 -8.100 -5.587 2.038 1.00 0.00 H new ATOM 0 HG2 MET A 76 -9.872 -7.398 1.261 1.00 0.00 H new ATOM 0 HG3 MET A 76 -11.050 -6.180 1.708 1.00 0.00 H new ATOM 0 HE1 MET A 76 -10.491 -6.263 -2.293 1.00 0.00 H new ATOM 0 HE2 MET A 76 -10.827 -7.419 -0.982 1.00 0.00 H new ATOM 0 HE3 MET A 76 -11.835 -5.963 -1.166 1.00 0.00 H new ATOM 369 N SER A 77 -6.506 -6.586 3.812 1.00 0.00 N ATOM 370 CA SER A 77 -5.269 -6.221 4.432 1.00 0.00 C ATOM 371 C SER A 77 -4.502 -5.465 3.436 1.00 0.00 C ATOM 372 O SER A 77 -4.781 -5.646 2.276 1.00 0.00 O ATOM 373 CB SER A 77 -4.340 -7.412 4.635 1.00 0.00 C ATOM 374 OG SER A 77 -5.021 -8.474 5.287 1.00 0.00 O ATOM 0 H SER A 77 -6.408 -7.015 2.892 1.00 0.00 H new ATOM 0 HA SER A 77 -5.525 -5.723 5.367 1.00 0.00 H new ATOM 0 HB2 SER A 77 -3.962 -7.753 3.671 1.00 0.00 H new ATOM 0 HB3 SER A 77 -3.476 -7.109 5.227 1.00 0.00 H new ATOM 0 HG SER A 77 -5.461 -9.040 4.619 1.00 0.00 H new ATOM 380 N LEU A 78 -3.330 -4.969 3.880 1.00 0.00 N ATOM 381 CA LEU A 78 -2.334 -4.431 3.001 1.00 0.00 C ATOM 382 C LEU A 78 -1.970 -5.482 1.984 1.00 0.00 C ATOM 383 O LEU A 78 -2.054 -5.257 0.792 1.00 0.00 O ATOM 384 CB LEU A 78 -1.080 -4.097 3.811 1.00 0.00 C ATOM 385 CG LEU A 78 -0.873 -2.602 4.037 1.00 0.00 C ATOM 386 CD1 LEU A 78 -0.666 -1.831 2.788 1.00 0.00 C ATOM 387 CD2 LEU A 78 -2.109 -1.870 4.516 1.00 0.00 C ATOM 0 H LEU A 78 -3.070 -4.941 4.866 1.00 0.00 H new ATOM 0 HA LEU A 78 -2.718 -3.536 2.511 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -1.140 -4.596 4.778 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -0.208 -4.501 3.297 1.00 0.00 H new ATOM 0 HG LEU A 78 -0.035 -2.627 4.733 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -0.526 -0.777 3.030 1.00 0.00 H new ATOM 0 HD12 LEU A 78 0.218 -2.205 2.272 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -1.537 -1.943 2.143 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -1.877 -0.814 4.652 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -2.903 -1.975 3.777 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -2.438 -2.294 5.465 1.00 0.00 H new ATOM 399 N HIS A 79 -1.586 -6.687 2.448 1.00 0.00 N ATOM 400 CA HIS A 79 -1.058 -7.690 1.562 1.00 0.00 C ATOM 401 C HIS A 79 -2.131 -8.094 0.590 1.00 0.00 C ATOM 402 O HIS A 79 -1.866 -8.218 -0.590 1.00 0.00 O ATOM 403 CB HIS A 79 -0.586 -8.953 2.300 1.00 0.00 C ATOM 404 CG HIS A 79 0.882 -9.224 2.141 1.00 0.00 C ATOM 405 ND1 HIS A 79 1.779 -9.703 3.023 1.00 0.00 N flip ATOM 406 CD2 HIS A 79 1.564 -8.949 0.987 1.00 0.00 C flip ATOM 407 CE1 HIS A 79 3.000 -9.696 2.407 1.00 0.00 C flip ATOM 408 NE2 HIS A 79 2.848 -9.199 1.193 1.00 0.00 N flip ATOM 0 H HIS A 79 -1.639 -6.969 3.427 1.00 0.00 H new ATOM 0 HA HIS A 79 -0.195 -7.251 1.061 1.00 0.00 H new ATOM 0 HB2 HIS A 79 -0.816 -8.852 3.361 1.00 0.00 H new ATOM 0 HB3 HIS A 79 -1.148 -9.811 1.932 1.00 0.00 H new ATOM 0 HD1 HIS A 79 1.584 -10.014 3.975 1.00 0.00 H new ATOM 0 HD2 HIS A 79 1.129 -8.590 0.066 1.00 0.00 H new ATOM 0 HE1 HIS A 79 3.929 -10.038 2.839 1.00 0.00 H new ATOM 417 N ASP A 80 -3.379 -8.291 1.063 1.00 0.00 N ATOM 418 CA ASP A 80 -4.426 -8.750 0.188 1.00 0.00 C ATOM 419 C ASP A 80 -4.858 -7.585 -0.660 1.00 0.00 C ATOM 420 O ASP A 80 -5.398 -7.760 -1.750 1.00 0.00 O ATOM 421 CB ASP A 80 -5.658 -9.251 0.955 1.00 0.00 C ATOM 422 CG ASP A 80 -5.193 -10.254 2.001 1.00 0.00 C ATOM 423 OD1 ASP A 80 -4.788 -11.376 1.604 1.00 0.00 O ATOM 424 OD2 ASP A 80 -5.203 -9.889 3.209 1.00 0.00 O ATOM 0 H ASP A 80 -3.662 -8.137 2.031 1.00 0.00 H new ATOM 0 HA ASP A 80 -4.034 -9.580 -0.400 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -6.174 -8.417 1.431 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -6.368 -9.717 0.271 1.00 0.00 H new ATOM 429 N CYS A 81 -4.568 -6.367 -0.172 1.00 0.00 N ATOM 430 CA CYS A 81 -4.993 -5.164 -0.826 1.00 0.00 C ATOM 431 C CYS A 81 -4.004 -4.859 -1.916 1.00 0.00 C ATOM 432 O CYS A 81 -4.338 -4.225 -2.912 1.00 0.00 O ATOM 433 CB CYS A 81 -4.921 -4.040 0.219 1.00 0.00 C ATOM 434 SG CYS A 81 -5.376 -2.436 -0.526 1.00 0.00 S ATOM 0 H CYS A 81 -4.034 -6.212 0.683 1.00 0.00 H new ATOM 0 HA CYS A 81 -5.997 -5.260 -1.238 1.00 0.00 H new ATOM 0 HB2 CYS A 81 -5.591 -4.265 1.049 1.00 0.00 H new ATOM 0 HB3 CYS A 81 -3.913 -3.983 0.630 1.00 0.00 H new ATOM 0 HG CYS A 81 -5.190 -2.486 -1.812 1.00 0.00 H new ATOM 440 N LEU A 82 -2.732 -5.207 -1.675 1.00 0.00 N ATOM 441 CA LEU A 82 -1.661 -4.773 -2.531 1.00 0.00 C ATOM 442 C LEU A 82 -1.324 -5.891 -3.419 1.00 0.00 C ATOM 443 O LEU A 82 -0.796 -5.683 -4.501 1.00 0.00 O ATOM 444 CB LEU A 82 -0.398 -4.512 -1.727 1.00 0.00 C ATOM 445 CG LEU A 82 -0.503 -3.286 -0.829 1.00 0.00 C ATOM 446 CD1 LEU A 82 0.744 -2.399 -0.863 1.00 0.00 C ATOM 447 CD2 LEU A 82 -1.688 -2.399 -1.181 1.00 0.00 C ATOM 0 H LEU A 82 -2.438 -5.788 -0.890 1.00 0.00 H new ATOM 0 HA LEU A 82 -1.980 -3.872 -3.055 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -0.178 -5.386 -1.114 1.00 0.00 H new ATOM 0 HB3 LEU A 82 0.441 -4.383 -2.411 1.00 0.00 H new ATOM 0 HG LEU A 82 -0.627 -3.709 0.168 1.00 0.00 H new ATOM 0 HD11 LEU A 82 0.601 -1.545 -0.201 1.00 0.00 H new ATOM 0 HD12 LEU A 82 1.609 -2.974 -0.532 1.00 0.00 H new ATOM 0 HD13 LEU A 82 0.912 -2.046 -1.880 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -1.713 -1.541 -0.509 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -1.589 -2.051 -2.209 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -2.612 -2.968 -1.077 1.00 0.00 H new ATOM 459 N MET A 83 -1.604 -7.107 -2.937 1.00 0.00 N ATOM 460 CA MET A 83 -1.517 -8.286 -3.748 1.00 0.00 C ATOM 461 C MET A 83 -2.267 -8.005 -5.004 1.00 0.00 C ATOM 462 O MET A 83 -1.702 -8.124 -6.064 1.00 0.00 O ATOM 463 CB MET A 83 -2.188 -9.428 -2.975 1.00 0.00 C ATOM 464 CG MET A 83 -2.746 -10.558 -3.839 1.00 0.00 C ATOM 465 SD MET A 83 -1.612 -11.985 -3.798 1.00 0.00 S ATOM 466 CE MET A 83 -0.143 -11.240 -4.575 1.00 0.00 C ATOM 0 H MET A 83 -1.895 -7.282 -1.975 1.00 0.00 H new ATOM 0 HA MET A 83 -0.488 -8.560 -3.981 1.00 0.00 H new ATOM 0 HB2 MET A 83 -1.463 -9.849 -2.278 1.00 0.00 H new ATOM 0 HB3 MET A 83 -3.000 -9.013 -2.378 1.00 0.00 H new ATOM 0 HG2 MET A 83 -3.730 -10.854 -3.476 1.00 0.00 H new ATOM 0 HG3 MET A 83 -2.875 -10.214 -4.865 1.00 0.00 H new ATOM 0 HE1 MET A 83 0.427 -12.013 -5.091 1.00 0.00 H new ATOM 0 HE2 MET A 83 -0.456 -10.481 -5.292 1.00 0.00 H new ATOM 0 HE3 MET A 83 0.480 -10.780 -3.808 1.00 0.00 H new ATOM 476 N LYS A 84 -3.441 -7.367 -4.857 1.00 0.00 N ATOM 477 CA LYS A 84 -4.215 -6.917 -5.958 1.00 0.00 C ATOM 478 C LYS A 84 -3.331 -6.190 -6.945 1.00 0.00 C ATOM 479 O LYS A 84 -3.295 -6.528 -8.129 1.00 0.00 O ATOM 480 CB LYS A 84 -5.139 -5.894 -5.305 1.00 0.00 C ATOM 481 CG LYS A 84 -6.171 -5.339 -6.254 1.00 0.00 C ATOM 482 CD LYS A 84 -6.557 -6.357 -7.316 1.00 0.00 C ATOM 483 CE LYS A 84 -7.834 -5.998 -8.079 1.00 0.00 C ATOM 484 NZ LYS A 84 -7.608 -4.816 -8.906 1.00 0.00 N ATOM 0 H LYS A 84 -3.857 -7.162 -3.949 1.00 0.00 H new ATOM 0 HA LYS A 84 -4.721 -7.723 -6.490 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -5.645 -6.358 -4.458 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -4.541 -5.074 -4.908 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -7.058 -5.041 -5.695 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -5.780 -4.442 -6.734 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -5.736 -6.457 -8.026 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -6.689 -7.330 -6.843 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -8.141 -6.836 -8.705 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -8.646 -5.810 -7.377 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -8.481 -4.580 -9.420 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -7.336 -4.016 -8.300 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -6.846 -5.009 -9.587 1.00 0.00 H new ATOM 498 N ALA A 85 -2.580 -5.185 -6.460 1.00 0.00 N ATOM 499 CA ALA A 85 -1.995 -4.205 -7.338 1.00 0.00 C ATOM 500 C ALA A 85 -0.683 -4.714 -7.865 1.00 0.00 C ATOM 501 O ALA A 85 0.049 -3.981 -8.527 1.00 0.00 O ATOM 502 CB ALA A 85 -1.666 -3.064 -6.362 1.00 0.00 C ATOM 0 H ALA A 85 -2.376 -5.047 -5.470 1.00 0.00 H new ATOM 0 HA ALA A 85 -2.636 -3.944 -8.180 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -1.208 -2.239 -6.908 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -2.583 -2.718 -5.884 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -0.974 -3.424 -5.601 1.00 0.00 H new ATOM 508 N LEU A 86 -0.327 -5.974 -7.569 1.00 0.00 N ATOM 509 CA LEU A 86 0.982 -6.456 -7.913 1.00 0.00 C ATOM 510 C LEU A 86 0.804 -7.788 -8.503 1.00 0.00 C ATOM 511 O LEU A 86 1.591 -8.212 -9.327 1.00 0.00 O ATOM 512 CB LEU A 86 1.768 -6.658 -6.635 1.00 0.00 C ATOM 513 CG LEU A 86 1.877 -5.373 -5.824 1.00 0.00 C ATOM 514 CD1 LEU A 86 1.976 -5.601 -4.348 1.00 0.00 C ATOM 515 CD2 LEU A 86 2.843 -4.361 -6.425 1.00 0.00 C ATOM 0 H LEU A 86 -0.928 -6.652 -7.101 1.00 0.00 H new ATOM 0 HA LEU A 86 1.487 -5.761 -8.584 1.00 0.00 H new ATOM 0 HB2 LEU A 86 1.287 -7.428 -6.032 1.00 0.00 H new ATOM 0 HB3 LEU A 86 2.767 -7.020 -6.877 1.00 0.00 H new ATOM 0 HG LEU A 86 0.916 -4.867 -5.914 1.00 0.00 H new ATOM 0 HD11 LEU A 86 2.051 -4.642 -3.836 1.00 0.00 H new ATOM 0 HD12 LEU A 86 1.088 -6.129 -4.001 1.00 0.00 H new ATOM 0 HD13 LEU A 86 2.862 -6.198 -4.131 1.00 0.00 H new ATOM 0 HD21 LEU A 86 2.873 -3.470 -5.798 1.00 0.00 H new ATOM 0 HD22 LEU A 86 3.840 -4.799 -6.481 1.00 0.00 H new ATOM 0 HD23 LEU A 86 2.509 -4.089 -7.426 1.00 0.00 H new ATOM 527 N LYS A 87 -0.211 -8.502 -8.007 1.00 0.00 N ATOM 528 CA LYS A 87 -0.654 -9.719 -8.622 1.00 0.00 C ATOM 529 C LYS A 87 -1.022 -9.415 -10.040 1.00 0.00 C ATOM 530 O LYS A 87 -0.726 -10.186 -10.949 1.00 0.00 O ATOM 531 CB LYS A 87 -1.958 -10.163 -7.977 1.00 0.00 C ATOM 532 CG LYS A 87 -2.139 -11.669 -7.948 1.00 0.00 C ATOM 533 CD LYS A 87 -3.078 -12.191 -9.040 1.00 0.00 C ATOM 534 CE LYS A 87 -3.310 -13.703 -8.972 1.00 0.00 C ATOM 535 NZ LYS A 87 -4.196 -14.121 -10.054 1.00 0.00 N ATOM 0 H LYS A 87 -0.735 -8.240 -7.172 1.00 0.00 H new ATOM 0 HA LYS A 87 0.131 -10.470 -8.528 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -1.998 -9.781 -6.957 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -2.792 -9.715 -8.518 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -1.165 -12.147 -8.058 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -2.529 -11.962 -6.973 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -4.037 -11.680 -8.959 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -2.664 -11.938 -10.016 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -2.358 -14.229 -9.046 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -3.747 -13.969 -8.010 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -4.348 -15.148 -10.001 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -5.109 -13.631 -9.964 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -3.763 -13.882 -10.969 1.00 0.00 H new ATOM 549 N VAL A 88 -1.696 -8.265 -10.228 1.00 0.00 N ATOM 550 CA VAL A 88 -2.170 -7.871 -11.527 1.00 0.00 C ATOM 551 C VAL A 88 -0.970 -7.560 -12.396 1.00 0.00 C ATOM 552 O VAL A 88 -1.045 -7.599 -13.622 1.00 0.00 O ATOM 553 CB VAL A 88 -3.080 -6.636 -11.429 1.00 0.00 C ATOM 554 CG1 VAL A 88 -2.363 -5.380 -10.938 1.00 0.00 C ATOM 555 CG2 VAL A 88 -3.681 -6.175 -12.749 1.00 0.00 C ATOM 0 H VAL A 88 -1.915 -7.605 -9.482 1.00 0.00 H new ATOM 0 HA VAL A 88 -2.755 -8.682 -11.961 1.00 0.00 H new ATOM 0 HB VAL A 88 -3.838 -7.002 -10.736 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -3.069 -4.551 -10.895 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -1.954 -5.560 -9.944 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -1.553 -5.131 -11.624 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -4.307 -5.299 -12.578 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -2.881 -5.919 -13.443 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -4.287 -6.976 -13.173 1.00 0.00 H new ATOM 565 N ARG A 89 0.180 -7.274 -11.755 1.00 0.00 N ATOM 566 CA ARG A 89 1.379 -6.954 -12.476 1.00 0.00 C ATOM 567 C ARG A 89 2.129 -8.227 -12.695 1.00 0.00 C ATOM 568 O ARG A 89 2.625 -8.494 -13.787 1.00 0.00 O ATOM 569 CB ARG A 89 2.249 -6.038 -11.622 1.00 0.00 C ATOM 570 CG ARG A 89 1.530 -4.756 -11.232 1.00 0.00 C ATOM 571 CD ARG A 89 2.476 -3.664 -10.744 1.00 0.00 C ATOM 572 NE ARG A 89 2.182 -2.417 -11.512 1.00 0.00 N ATOM 573 CZ ARG A 89 1.198 -1.562 -11.113 1.00 0.00 C ATOM 574 NH1 ARG A 89 0.483 -1.796 -9.997 1.00 0.00 N ATOM 575 NH2 ARG A 89 0.957 -0.437 -11.822 1.00 0.00 N ATOM 0 H ARG A 89 0.281 -7.264 -10.740 1.00 0.00 H new ATOM 0 HA ARG A 89 1.135 -6.465 -13.419 1.00 0.00 H new ATOM 0 HB2 ARG A 89 2.555 -6.569 -10.720 1.00 0.00 H new ATOM 0 HB3 ARG A 89 3.158 -5.790 -12.170 1.00 0.00 H new ATOM 0 HG2 ARG A 89 0.969 -4.386 -12.090 1.00 0.00 H new ATOM 0 HG3 ARG A 89 0.805 -4.977 -10.449 1.00 0.00 H new ATOM 0 HD2 ARG A 89 2.342 -3.494 -9.676 1.00 0.00 H new ATOM 0 HD3 ARG A 89 3.513 -3.966 -10.891 1.00 0.00 H new ATOM 0 HE ARG A 89 2.726 -2.202 -12.348 1.00 0.00 H new ATOM 0 HH11 ARG A 89 0.674 -2.625 -9.434 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -0.249 -1.145 -9.715 1.00 0.00 H new ATOM 0 HH21 ARG A 89 1.511 -0.230 -12.653 1.00 0.00 H new ATOM 0 HH22 ARG A 89 0.221 0.205 -11.526 1.00 0.00 H new ATOM 589 N GLY A 90 2.256 -9.002 -11.610 1.00 0.00 N ATOM 590 CA GLY A 90 3.012 -10.224 -11.627 1.00 0.00 C ATOM 591 C GLY A 90 4.202 -10.024 -10.738 1.00 0.00 C ATOM 592 O GLY A 90 5.270 -10.584 -10.979 1.00 0.00 O ATOM 0 H GLY A 90 1.833 -8.785 -10.708 1.00 0.00 H new ATOM 0 HA2 GLY A 90 2.404 -11.057 -11.274 1.00 0.00 H new ATOM 0 HA3 GLY A 90 3.327 -10.467 -12.642 1.00 0.00 H new ATOM 596 N LEU A 91 4.029 -9.228 -9.663 1.00 0.00 N ATOM 597 CA LEU A 91 5.134 -8.873 -8.822 1.00 0.00 C ATOM 598 C LEU A 91 4.928 -9.538 -7.494 1.00 0.00 C ATOM 599 O LEU A 91 3.892 -10.150 -7.236 1.00 0.00 O ATOM 600 CB LEU A 91 5.199 -7.360 -8.568 1.00 0.00 C ATOM 601 CG LEU A 91 5.581 -6.543 -9.806 1.00 0.00 C ATOM 602 CD1 LEU A 91 6.172 -5.174 -9.457 1.00 0.00 C ATOM 603 CD2 LEU A 91 6.513 -7.291 -10.761 1.00 0.00 C ATOM 0 H LEU A 91 3.132 -8.834 -9.378 1.00 0.00 H new ATOM 0 HA LEU A 91 6.054 -9.186 -9.315 1.00 0.00 H new ATOM 0 HB2 LEU A 91 4.229 -7.020 -8.204 1.00 0.00 H new ATOM 0 HB3 LEU A 91 5.923 -7.164 -7.777 1.00 0.00 H new ATOM 0 HG LEU A 91 4.638 -6.381 -10.327 1.00 0.00 H new ATOM 0 HD11 LEU A 91 6.423 -4.642 -10.374 1.00 0.00 H new ATOM 0 HD12 LEU A 91 5.442 -4.596 -8.890 1.00 0.00 H new ATOM 0 HD13 LEU A 91 7.072 -5.308 -8.857 1.00 0.00 H new ATOM 0 HD21 LEU A 91 6.744 -6.656 -11.616 1.00 0.00 H new ATOM 0 HD22 LEU A 91 7.436 -7.549 -10.241 1.00 0.00 H new ATOM 0 HD23 LEU A 91 6.024 -8.202 -11.107 1.00 0.00 H new ATOM 615 N GLN A 92 5.920 -9.374 -6.594 1.00 0.00 N ATOM 616 CA GLN A 92 5.844 -9.971 -5.291 1.00 0.00 C ATOM 617 C GLN A 92 5.722 -8.850 -4.293 1.00 0.00 C ATOM 618 O GLN A 92 6.421 -7.840 -4.382 1.00 0.00 O ATOM 619 CB GLN A 92 7.100 -10.779 -4.937 1.00 0.00 C ATOM 620 CG GLN A 92 7.487 -11.805 -6.009 1.00 0.00 C ATOM 621 CD GLN A 92 8.686 -12.598 -5.495 1.00 0.00 C ATOM 622 OE1 GLN A 92 9.259 -12.282 -4.450 1.00 0.00 O ATOM 623 NE2 GLN A 92 9.116 -13.662 -6.240 1.00 0.00 N ATOM 0 H GLN A 92 6.767 -8.833 -6.766 1.00 0.00 H new ATOM 0 HA GLN A 92 4.994 -10.653 -5.275 1.00 0.00 H new ATOM 0 HB2 GLN A 92 7.933 -10.093 -4.784 1.00 0.00 H new ATOM 0 HB3 GLN A 92 6.936 -11.297 -3.992 1.00 0.00 H new ATOM 0 HG2 GLN A 92 6.650 -12.472 -6.217 1.00 0.00 H new ATOM 0 HG3 GLN A 92 7.735 -11.303 -6.944 1.00 0.00 H new ATOM 0 HE21 GLN A 92 8.631 -13.910 -7.102 1.00 0.00 H new ATOM 0 HE22 GLN A 92 9.922 -14.207 -5.933 1.00 0.00 H new ATOM 632 N PRO A 93 4.891 -9.118 -3.294 1.00 0.00 N ATOM 633 CA PRO A 93 4.788 -8.000 -2.376 1.00 0.00 C ATOM 634 C PRO A 93 5.540 -8.445 -1.148 1.00 0.00 C ATOM 635 O PRO A 93 5.931 -7.625 -0.322 1.00 0.00 O ATOM 636 CB PRO A 93 3.321 -7.916 -2.002 1.00 0.00 C ATOM 637 CG PRO A 93 2.696 -9.241 -2.421 1.00 0.00 C ATOM 638 CD PRO A 93 3.629 -9.816 -3.477 1.00 0.00 C ATOM 0 HA PRO A 93 5.159 -7.056 -2.776 1.00 0.00 H new ATOM 0 HB2 PRO A 93 3.202 -7.751 -0.931 1.00 0.00 H new ATOM 0 HB3 PRO A 93 2.838 -7.081 -2.509 1.00 0.00 H new ATOM 0 HG2 PRO A 93 2.602 -9.917 -1.571 1.00 0.00 H new ATOM 0 HG3 PRO A 93 1.694 -9.092 -2.822 1.00 0.00 H new ATOM 0 HD2 PRO A 93 3.752 -10.891 -3.350 1.00 0.00 H new ATOM 0 HD3 PRO A 93 3.233 -9.657 -4.480 1.00 0.00 H new ATOM 646 N GLU A 94 5.798 -9.762 -1.004 1.00 0.00 N ATOM 647 CA GLU A 94 6.272 -10.290 0.247 1.00 0.00 C ATOM 648 C GLU A 94 7.714 -9.895 0.416 1.00 0.00 C ATOM 649 O GLU A 94 8.270 -10.000 1.507 1.00 0.00 O ATOM 650 CB GLU A 94 6.202 -11.823 0.330 1.00 0.00 C ATOM 651 CG GLU A 94 4.772 -12.381 0.264 1.00 0.00 C ATOM 652 CD GLU A 94 4.356 -12.501 -1.201 1.00 0.00 C ATOM 653 OE1 GLU A 94 5.171 -12.151 -2.100 1.00 0.00 O ATOM 654 OE2 GLU A 94 3.188 -12.901 -1.449 1.00 0.00 O ATOM 0 H GLU A 94 5.681 -10.455 -1.743 1.00 0.00 H new ATOM 0 HA GLU A 94 5.627 -9.883 1.025 1.00 0.00 H new ATOM 0 HB2 GLU A 94 6.787 -12.249 -0.485 1.00 0.00 H new ATOM 0 HB3 GLU A 94 6.667 -12.149 1.260 1.00 0.00 H new ATOM 0 HG2 GLU A 94 4.724 -13.355 0.751 1.00 0.00 H new ATOM 0 HG3 GLU A 94 4.086 -11.724 0.798 1.00 0.00 H new ATOM 661 N CYS A 95 8.348 -9.409 -0.667 1.00 0.00 N ATOM 662 CA CYS A 95 9.744 -9.085 -0.610 1.00 0.00 C ATOM 663 C CYS A 95 9.862 -7.590 -0.594 1.00 0.00 C ATOM 664 O CYS A 95 10.912 -7.032 -0.919 1.00 0.00 O ATOM 665 CB CYS A 95 10.491 -9.592 -1.847 1.00 0.00 C ATOM 666 SG CYS A 95 10.628 -11.408 -1.774 1.00 0.00 S ATOM 0 H CYS A 95 7.904 -9.242 -1.570 1.00 0.00 H new ATOM 0 HA CYS A 95 10.175 -9.551 0.276 1.00 0.00 H new ATOM 0 HB2 CYS A 95 9.962 -9.293 -2.752 1.00 0.00 H new ATOM 0 HB3 CYS A 95 11.483 -9.144 -1.895 1.00 0.00 H new ATOM 0 HG CYS A 95 10.072 -11.928 -2.828 1.00 0.00 H new ATOM 672 N CYS A 96 8.794 -6.894 -0.162 1.00 0.00 N ATOM 673 CA CYS A 96 8.790 -5.463 -0.227 1.00 0.00 C ATOM 674 C CYS A 96 8.274 -4.944 1.085 1.00 0.00 C ATOM 675 O CYS A 96 7.723 -5.690 1.894 1.00 0.00 O ATOM 676 CB CYS A 96 7.843 -4.953 -1.318 1.00 0.00 C ATOM 677 SG CYS A 96 8.461 -5.450 -2.958 1.00 0.00 S ATOM 0 H CYS A 96 7.948 -7.311 0.225 1.00 0.00 H new ATOM 0 HA CYS A 96 9.803 -5.124 -0.445 1.00 0.00 H new ATOM 0 HB2 CYS A 96 6.842 -5.355 -1.160 1.00 0.00 H new ATOM 0 HB3 CYS A 96 7.763 -3.867 -1.264 1.00 0.00 H new ATOM 0 HG CYS A 96 7.672 -6.351 -3.464 1.00 0.00 H new ATOM 683 N ALA A 97 8.438 -3.620 1.296 1.00 0.00 N ATOM 684 CA ALA A 97 7.832 -2.953 2.414 1.00 0.00 C ATOM 685 C ALA A 97 6.913 -1.926 1.843 1.00 0.00 C ATOM 686 O ALA A 97 7.265 -1.213 0.913 1.00 0.00 O ATOM 687 CB ALA A 97 8.781 -2.211 3.381 1.00 0.00 C ATOM 0 H ALA A 97 8.991 -3.012 0.692 1.00 0.00 H new ATOM 0 HA ALA A 97 7.364 -3.737 3.010 1.00 0.00 H new ATOM 0 HB1 ALA A 97 8.199 -1.751 4.180 1.00 0.00 H new ATOM 0 HB2 ALA A 97 9.490 -2.919 3.810 1.00 0.00 H new ATOM 0 HB3 ALA A 97 9.324 -1.439 2.837 1.00 0.00 H new ATOM 693 N VAL A 98 5.706 -1.814 2.421 1.00 0.00 N ATOM 694 CA VAL A 98 4.754 -0.856 1.947 1.00 0.00 C ATOM 695 C VAL A 98 4.694 0.248 2.960 1.00 0.00 C ATOM 696 O VAL A 98 5.007 0.060 4.138 1.00 0.00 O ATOM 697 CB VAL A 98 3.362 -1.468 1.774 1.00 0.00 C ATOM 698 CG1 VAL A 98 2.954 -2.372 2.935 1.00 0.00 C ATOM 699 CG2 VAL A 98 2.259 -0.442 1.505 1.00 0.00 C ATOM 0 H VAL A 98 5.389 -2.379 3.209 1.00 0.00 H new ATOM 0 HA VAL A 98 5.066 -0.491 0.968 1.00 0.00 H new ATOM 0 HB VAL A 98 3.463 -2.082 0.879 1.00 0.00 H new ATOM 0 HG11 VAL A 98 1.958 -2.774 2.751 1.00 0.00 H new ATOM 0 HG12 VAL A 98 3.665 -3.193 3.024 1.00 0.00 H new ATOM 0 HG13 VAL A 98 2.947 -1.795 3.860 1.00 0.00 H new ATOM 0 HG21 VAL A 98 1.304 -0.955 1.394 1.00 0.00 H new ATOM 0 HG22 VAL A 98 2.201 0.257 2.339 1.00 0.00 H new ATOM 0 HG23 VAL A 98 2.486 0.104 0.589 1.00 0.00 H new ATOM 709 N PHE A 99 4.235 1.431 2.512 1.00 0.00 N ATOM 710 CA PHE A 99 4.287 2.599 3.334 1.00 0.00 C ATOM 711 C PHE A 99 3.077 3.412 3.034 1.00 0.00 C ATOM 712 O PHE A 99 2.457 3.269 1.981 1.00 0.00 O ATOM 713 CB PHE A 99 5.445 3.532 2.959 1.00 0.00 C ATOM 714 CG PHE A 99 6.712 2.890 3.391 1.00 0.00 C ATOM 715 CD1 PHE A 99 7.393 2.024 2.554 1.00 0.00 C ATOM 716 CD2 PHE A 99 7.300 3.235 4.602 1.00 0.00 C ATOM 717 CE1 PHE A 99 8.692 1.666 2.834 1.00 0.00 C ATOM 718 CE2 PHE A 99 8.571 2.827 4.907 1.00 0.00 C ATOM 719 CZ PHE A 99 9.301 2.146 3.971 1.00 0.00 C ATOM 0 H PHE A 99 3.831 1.578 1.587 1.00 0.00 H new ATOM 0 HA PHE A 99 4.382 2.258 4.365 1.00 0.00 H new ATOM 0 HB2 PHE A 99 5.456 3.712 1.884 1.00 0.00 H new ATOM 0 HB3 PHE A 99 5.325 4.501 3.443 1.00 0.00 H new ATOM 0 HD1 PHE A 99 6.903 1.627 1.677 1.00 0.00 H new ATOM 0 HD2 PHE A 99 6.747 3.833 5.312 1.00 0.00 H new ATOM 0 HE1 PHE A 99 9.231 1.012 2.165 1.00 0.00 H new ATOM 0 HE2 PHE A 99 8.994 3.041 5.878 1.00 0.00 H new ATOM 0 HZ PHE A 99 10.358 1.985 4.125 1.00 0.00 H new ATOM 729 N ARG A 100 2.791 4.356 3.945 1.00 0.00 N ATOM 730 CA ARG A 100 2.031 5.503 3.595 1.00 0.00 C ATOM 731 C ARG A 100 3.024 6.615 3.493 1.00 0.00 C ATOM 732 O ARG A 100 3.986 6.687 4.258 1.00 0.00 O ATOM 733 CB ARG A 100 0.965 5.759 4.644 1.00 0.00 C ATOM 734 CG ARG A 100 0.693 7.230 4.933 1.00 0.00 C ATOM 735 CD ARG A 100 -0.382 7.411 6.004 1.00 0.00 C ATOM 736 NE ARG A 100 -1.058 8.723 5.781 1.00 0.00 N ATOM 737 CZ ARG A 100 -0.606 9.866 6.360 1.00 0.00 C ATOM 738 NH1 ARG A 100 0.331 9.830 7.326 1.00 0.00 N ATOM 739 NH2 ARG A 100 -1.221 11.033 6.070 1.00 0.00 N ATOM 0 H ARG A 100 3.087 4.322 4.921 1.00 0.00 H new ATOM 0 HA ARG A 100 1.493 5.389 2.654 1.00 0.00 H new ATOM 0 HB2 ARG A 100 0.036 5.289 4.320 1.00 0.00 H new ATOM 0 HB3 ARG A 100 1.263 5.270 5.571 1.00 0.00 H new ATOM 0 HG2 ARG A 100 1.615 7.712 5.259 1.00 0.00 H new ATOM 0 HG3 ARG A 100 0.379 7.728 4.016 1.00 0.00 H new ATOM 0 HD2 ARG A 100 -1.107 6.598 5.954 1.00 0.00 H new ATOM 0 HD3 ARG A 100 0.065 7.379 6.998 1.00 0.00 H new ATOM 0 HE ARG A 100 -1.880 8.762 5.179 1.00 0.00 H new ATOM 0 HH11 ARG A 100 0.712 8.935 7.633 1.00 0.00 H new ATOM 0 HH12 ARG A 100 0.660 10.697 7.750 1.00 0.00 H new ATOM 0 HH21 ARG A 100 -2.011 11.047 5.425 1.00 0.00 H new ATOM 0 HH22 ARG A 100 -0.895 11.901 6.496 1.00 0.00 H new ATOM 753 N LEU A 101 2.859 7.469 2.477 1.00 0.00 N ATOM 754 CA LEU A 101 3.944 8.289 2.020 1.00 0.00 C ATOM 755 C LEU A 101 4.066 9.463 2.947 1.00 0.00 C ATOM 756 O LEU A 101 3.312 9.608 3.912 1.00 0.00 O ATOM 757 CB LEU A 101 3.647 8.814 0.607 1.00 0.00 C ATOM 758 CG LEU A 101 3.986 7.811 -0.499 1.00 0.00 C ATOM 759 CD1 LEU A 101 3.023 7.889 -1.687 1.00 0.00 C ATOM 760 CD2 LEU A 101 5.453 7.866 -0.937 1.00 0.00 C ATOM 0 H LEU A 101 1.983 7.597 1.970 1.00 0.00 H new ATOM 0 HA LEU A 101 4.864 7.704 2.003 1.00 0.00 H new ATOM 0 HB2 LEU A 101 2.591 9.075 0.539 1.00 0.00 H new ATOM 0 HB3 LEU A 101 4.213 9.731 0.442 1.00 0.00 H new ATOM 0 HG LEU A 101 3.844 6.828 -0.049 1.00 0.00 H new ATOM 0 HD11 LEU A 101 3.313 7.155 -2.439 1.00 0.00 H new ATOM 0 HD12 LEU A 101 2.009 7.679 -1.348 1.00 0.00 H new ATOM 0 HD13 LEU A 101 3.061 8.888 -2.121 1.00 0.00 H new ATOM 0 HD21 LEU A 101 5.626 7.130 -1.723 1.00 0.00 H new ATOM 0 HD22 LEU A 101 5.683 8.862 -1.315 1.00 0.00 H new ATOM 0 HD23 LEU A 101 6.096 7.645 -0.085 1.00 0.00 H new ATOM 772 N LEU A 102 5.008 10.370 2.617 1.00 0.00 N ATOM 773 CA LEU A 102 5.379 11.418 3.513 1.00 0.00 C ATOM 774 C LEU A 102 4.358 12.515 3.417 1.00 0.00 C ATOM 775 O LEU A 102 4.514 13.484 2.678 1.00 0.00 O ATOM 776 CB LEU A 102 6.793 11.949 3.290 1.00 0.00 C ATOM 777 CG LEU A 102 7.304 11.792 1.856 1.00 0.00 C ATOM 778 CD1 LEU A 102 7.755 10.363 1.498 1.00 0.00 C ATOM 779 CD2 LEU A 102 6.410 12.465 0.812 1.00 0.00 C ATOM 0 H LEU A 102 5.510 10.375 1.729 1.00 0.00 H new ATOM 0 HA LEU A 102 5.395 11.004 4.521 1.00 0.00 H new ATOM 0 HB2 LEU A 102 6.819 13.005 3.559 1.00 0.00 H new ATOM 0 HB3 LEU A 102 7.474 11.431 3.965 1.00 0.00 H new ATOM 0 HG LEU A 102 8.232 12.363 1.823 1.00 0.00 H new ATOM 0 HD11 LEU A 102 8.102 10.339 0.465 1.00 0.00 H new ATOM 0 HD12 LEU A 102 8.566 10.061 2.161 1.00 0.00 H new ATOM 0 HD13 LEU A 102 6.916 9.677 1.615 1.00 0.00 H new ATOM 0 HD21 LEU A 102 6.833 12.313 -0.181 1.00 0.00 H new ATOM 0 HD22 LEU A 102 5.412 12.029 0.852 1.00 0.00 H new ATOM 0 HD23 LEU A 102 6.348 13.533 1.021 1.00 0.00 H new ATOM 791 N HIS A 103 3.301 12.419 4.245 1.00 0.00 N ATOM 792 CA HIS A 103 2.277 13.421 4.242 1.00 0.00 C ATOM 793 C HIS A 103 2.507 14.293 5.441 1.00 0.00 C ATOM 794 O HIS A 103 2.230 15.490 5.416 1.00 0.00 O ATOM 795 CB HIS A 103 0.866 12.825 4.316 1.00 0.00 C ATOM 796 CG HIS A 103 0.484 12.061 3.080 1.00 0.00 C ATOM 797 ND1 HIS A 103 0.965 10.807 2.815 1.00 0.00 N ATOM 798 CD2 HIS A 103 -0.258 12.433 2.015 1.00 0.00 C ATOM 799 CE1 HIS A 103 0.521 10.433 1.624 1.00 0.00 C ATOM 800 NE2 HIS A 103 -0.218 11.405 1.113 1.00 0.00 N ATOM 0 H HIS A 103 3.155 11.658 4.909 1.00 0.00 H new ATOM 0 HA HIS A 103 2.334 13.979 3.307 1.00 0.00 H new ATOM 0 HB2 HIS A 103 0.802 12.163 5.179 1.00 0.00 H new ATOM 0 HB3 HIS A 103 0.147 13.628 4.477 1.00 0.00 H new ATOM 0 HD1 HIS A 103 1.563 10.255 3.430 1.00 0.00 H new ATOM 0 HD2 HIS A 103 -0.785 13.368 1.897 1.00 0.00 H new ATOM 0 HE1 HIS A 103 0.729 9.487 1.147 1.00 0.00 H new ATOM 0 HE2 HIS A 103 -0.679 11.390 0.203 1.00 0.00 H new ATOM 809 N GLU A 104 3.024 13.696 6.534 1.00 0.00 N ATOM 810 CA GLU A 104 3.394 14.471 7.684 1.00 0.00 C ATOM 811 C GLU A 104 4.763 14.020 8.087 1.00 0.00 C ATOM 812 O GLU A 104 5.122 14.049 9.263 1.00 0.00 O ATOM 813 CB GLU A 104 2.468 14.284 8.899 1.00 0.00 C ATOM 814 CG GLU A 104 0.978 14.479 8.582 1.00 0.00 C ATOM 815 CD GLU A 104 0.432 13.180 8.000 1.00 0.00 C ATOM 816 OE1 GLU A 104 0.905 12.083 8.412 1.00 0.00 O ATOM 817 OE2 GLU A 104 -0.455 13.247 7.108 1.00 0.00 O ATOM 0 H GLU A 104 3.184 12.693 6.623 1.00 0.00 H new ATOM 0 HA GLU A 104 3.334 15.522 7.403 1.00 0.00 H new ATOM 0 HB2 GLU A 104 2.615 13.283 9.305 1.00 0.00 H new ATOM 0 HB3 GLU A 104 2.759 14.989 9.677 1.00 0.00 H new ATOM 0 HG2 GLU A 104 0.431 14.748 9.485 1.00 0.00 H new ATOM 0 HG3 GLU A 104 0.846 15.297 7.873 1.00 0.00 H new ATOM 824 N HIS A 105 5.552 13.543 7.105 1.00 0.00 N ATOM 825 CA HIS A 105 6.850 13.017 7.405 1.00 0.00 C ATOM 826 C HIS A 105 7.807 13.666 6.461 1.00 0.00 C ATOM 827 O HIS A 105 7.420 14.125 5.391 1.00 0.00 O ATOM 828 CB HIS A 105 6.942 11.486 7.245 1.00 0.00 C ATOM 829 CG HIS A 105 5.629 10.791 7.468 1.00 0.00 C ATOM 830 ND1 HIS A 105 4.913 10.941 8.628 1.00 0.00 N ATOM 831 CD2 HIS A 105 4.802 10.186 6.585 1.00 0.00 C ATOM 832 CE1 HIS A 105 3.682 10.496 8.428 1.00 0.00 C ATOM 833 NE2 HIS A 105 3.585 10.044 7.190 1.00 0.00 N ATOM 0 H HIS A 105 5.297 13.521 6.118 1.00 0.00 H new ATOM 0 HA HIS A 105 7.077 13.228 8.450 1.00 0.00 H new ATOM 0 HB2 HIS A 105 7.305 11.252 6.244 1.00 0.00 H new ATOM 0 HB3 HIS A 105 7.677 11.096 7.949 1.00 0.00 H new ATOM 0 HD1 HIS A 105 5.270 11.331 9.500 1.00 0.00 H new ATOM 0 HD2 HIS A 105 5.057 9.872 5.584 1.00 0.00 H new ATOM 0 HE1 HIS A 105 2.886 10.502 9.158 1.00 0.00 H new ATOM 842 N LYS A 106 9.088 13.761 6.861 1.00 0.00 N ATOM 843 CA LYS A 106 10.057 14.384 6.017 1.00 0.00 C ATOM 844 C LYS A 106 11.221 13.453 5.930 1.00 0.00 C ATOM 845 O LYS A 106 11.760 13.014 6.945 1.00 0.00 O ATOM 846 CB LYS A 106 10.535 15.704 6.622 1.00 0.00 C ATOM 847 CG LYS A 106 11.654 16.387 5.829 1.00 0.00 C ATOM 848 CD LYS A 106 11.178 17.026 4.520 1.00 0.00 C ATOM 849 CE LYS A 106 10.228 18.210 4.726 1.00 0.00 C ATOM 850 NZ LYS A 106 9.889 18.807 3.438 1.00 0.00 N ATOM 0 H LYS A 106 9.447 13.414 7.750 1.00 0.00 H new ATOM 0 HA LYS A 106 9.621 14.591 5.039 1.00 0.00 H new ATOM 0 HB2 LYS A 106 9.688 16.386 6.695 1.00 0.00 H new ATOM 0 HB3 LYS A 106 10.884 15.520 7.638 1.00 0.00 H new ATOM 0 HG2 LYS A 106 12.113 17.155 6.452 1.00 0.00 H new ATOM 0 HG3 LYS A 106 12.428 15.654 5.605 1.00 0.00 H new ATOM 0 HD2 LYS A 106 12.046 17.362 3.953 1.00 0.00 H new ATOM 0 HD3 LYS A 106 10.676 16.269 3.917 1.00 0.00 H new ATOM 0 HE2 LYS A 106 9.322 17.876 5.231 1.00 0.00 H new ATOM 0 HE3 LYS A 106 10.696 18.955 5.370 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 9.244 19.609 3.586 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 10.756 19.141 2.971 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 9.425 18.096 2.837 1.00 0.00 H new ATOM 864 N GLY A 107 11.600 13.088 4.692 1.00 0.00 N ATOM 865 CA GLY A 107 12.803 12.332 4.488 1.00 0.00 C ATOM 866 C GLY A 107 12.423 10.895 4.317 1.00 0.00 C ATOM 867 O GLY A 107 12.989 10.194 3.480 1.00 0.00 O ATOM 0 H GLY A 107 11.084 13.311 3.841 1.00 0.00 H new ATOM 0 HA2 GLY A 107 13.335 12.693 3.608 1.00 0.00 H new ATOM 0 HA3 GLY A 107 13.476 12.450 5.338 1.00 0.00 H new ATOM 871 N LYS A 108 11.476 10.405 5.140 1.00 0.00 N ATOM 872 CA LYS A 108 11.219 9.001 5.180 1.00 0.00 C ATOM 873 C LYS A 108 9.812 8.788 4.729 1.00 0.00 C ATOM 874 O LYS A 108 9.222 9.619 4.045 1.00 0.00 O ATOM 875 CB LYS A 108 11.332 8.451 6.606 1.00 0.00 C ATOM 876 CG LYS A 108 12.683 8.734 7.267 1.00 0.00 C ATOM 877 CD LYS A 108 13.876 8.174 6.484 1.00 0.00 C ATOM 878 CE LYS A 108 15.211 8.336 7.216 1.00 0.00 C ATOM 879 NZ LYS A 108 16.301 7.846 6.379 1.00 0.00 N ATOM 0 H LYS A 108 10.900 10.969 5.765 1.00 0.00 H new ATOM 0 HA LYS A 108 11.946 8.493 4.546 1.00 0.00 H new ATOM 0 HB2 LYS A 108 10.540 8.884 7.217 1.00 0.00 H new ATOM 0 HB3 LYS A 108 11.166 7.374 6.585 1.00 0.00 H new ATOM 0 HG2 LYS A 108 12.805 9.811 7.379 1.00 0.00 H new ATOM 0 HG3 LYS A 108 12.684 8.307 8.270 1.00 0.00 H new ATOM 0 HD2 LYS A 108 13.706 7.116 6.283 1.00 0.00 H new ATOM 0 HD3 LYS A 108 13.936 8.676 5.518 1.00 0.00 H new ATOM 0 HE2 LYS A 108 15.375 9.385 7.463 1.00 0.00 H new ATOM 0 HE3 LYS A 108 15.188 7.786 8.157 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 17.204 7.959 6.883 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 16.148 6.840 6.164 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 16.329 8.389 5.492 1.00 0.00 H new ATOM 893 N LYS A 109 9.249 7.651 5.164 1.00 0.00 N ATOM 894 CA LYS A 109 7.955 7.232 4.739 1.00 0.00 C ATOM 895 C LYS A 109 7.331 6.563 5.921 1.00 0.00 C ATOM 896 O LYS A 109 8.020 5.904 6.699 1.00 0.00 O ATOM 897 CB LYS A 109 8.086 6.250 3.585 1.00 0.00 C ATOM 898 CG LYS A 109 8.718 6.871 2.352 1.00 0.00 C ATOM 899 CD LYS A 109 8.808 5.912 1.174 1.00 0.00 C ATOM 900 CE LYS A 109 10.182 5.945 0.517 1.00 0.00 C ATOM 901 NZ LYS A 109 10.087 5.552 -0.884 1.00 0.00 N ATOM 0 H LYS A 109 9.699 7.013 5.821 1.00 0.00 H new ATOM 0 HA LYS A 109 7.350 8.070 4.393 1.00 0.00 H new ATOM 0 HB2 LYS A 109 8.686 5.398 3.905 1.00 0.00 H new ATOM 0 HB3 LYS A 109 7.099 5.866 3.327 1.00 0.00 H new ATOM 0 HG2 LYS A 109 8.138 7.745 2.056 1.00 0.00 H new ATOM 0 HG3 LYS A 109 9.719 7.222 2.603 1.00 0.00 H new ATOM 0 HD2 LYS A 109 8.592 4.899 1.514 1.00 0.00 H new ATOM 0 HD3 LYS A 109 8.047 6.170 0.437 1.00 0.00 H new ATOM 0 HE2 LYS A 109 10.604 6.947 0.592 1.00 0.00 H new ATOM 0 HE3 LYS A 109 10.860 5.274 1.044 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 10.899 5.936 -1.408 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 10.089 4.514 -0.954 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 9.205 5.925 -1.290 1.00 0.00 H new ATOM 915 N ALA A 110 6.015 6.754 6.128 1.00 0.00 N ATOM 916 CA ALA A 110 5.384 6.165 7.278 1.00 0.00 C ATOM 917 C ALA A 110 5.110 4.740 6.941 1.00 0.00 C ATOM 918 O ALA A 110 4.327 4.432 6.049 1.00 0.00 O ATOM 919 CB ALA A 110 4.106 6.768 7.848 1.00 0.00 C ATOM 0 H ALA A 110 5.400 7.298 5.523 1.00 0.00 H new ATOM 0 HA ALA A 110 6.101 6.351 8.078 1.00 0.00 H new ATOM 0 HB1 ALA A 110 3.783 6.186 8.711 1.00 0.00 H new ATOM 0 HB2 ALA A 110 4.294 7.797 8.154 1.00 0.00 H new ATOM 0 HB3 ALA A 110 3.326 6.752 7.087 1.00 0.00 H new ATOM 925 N ARG A 111 5.774 3.815 7.653 1.00 0.00 N ATOM 926 CA ARG A 111 5.800 2.468 7.211 1.00 0.00 C ATOM 927 C ARG A 111 4.685 1.764 7.895 1.00 0.00 C ATOM 928 O ARG A 111 4.336 2.076 9.033 1.00 0.00 O ATOM 929 CB ARG A 111 7.131 1.872 7.627 1.00 0.00 C ATOM 930 CG ARG A 111 7.471 0.570 6.915 1.00 0.00 C ATOM 931 CD ARG A 111 6.895 -0.642 7.633 1.00 0.00 C ATOM 932 NE ARG A 111 7.813 -1.789 7.378 1.00 0.00 N ATOM 933 CZ ARG A 111 7.462 -3.052 7.746 1.00 0.00 C ATOM 934 NH1 ARG A 111 6.232 -3.312 8.235 1.00 0.00 N ATOM 935 NH2 ARG A 111 8.327 -4.074 7.552 1.00 0.00 N ATOM 0 H ARG A 111 6.282 3.999 8.518 1.00 0.00 H new ATOM 0 HA ARG A 111 5.688 2.382 6.130 1.00 0.00 H new ATOM 0 HB2 ARG A 111 7.920 2.598 7.433 1.00 0.00 H new ATOM 0 HB3 ARG A 111 7.119 1.695 8.702 1.00 0.00 H new ATOM 0 HG2 ARG A 111 7.087 0.604 5.896 1.00 0.00 H new ATOM 0 HG3 ARG A 111 8.554 0.468 6.844 1.00 0.00 H new ATOM 0 HD2 ARG A 111 6.809 -0.450 8.702 1.00 0.00 H new ATOM 0 HD3 ARG A 111 5.892 -0.864 7.267 1.00 0.00 H new ATOM 0 HE ARG A 111 8.712 -1.626 6.924 1.00 0.00 H new ATOM 0 HH11 ARG A 111 5.552 -2.558 8.333 1.00 0.00 H new ATOM 0 HH12 ARG A 111 5.982 -4.263 8.507 1.00 0.00 H new ATOM 0 HH21 ARG A 111 9.239 -3.897 7.131 1.00 0.00 H new ATOM 0 HH22 ARG A 111 8.067 -5.021 7.827 1.00 0.00 H new ATOM 949 N LEU A 112 4.099 0.793 7.186 1.00 0.00 N ATOM 950 CA LEU A 112 2.860 0.220 7.610 1.00 0.00 C ATOM 951 C LEU A 112 3.112 -1.216 7.938 1.00 0.00 C ATOM 952 O LEU A 112 4.146 -1.577 8.499 1.00 0.00 O ATOM 953 CB LEU A 112 1.809 0.298 6.499 1.00 0.00 C ATOM 954 CG LEU A 112 1.431 1.728 6.118 1.00 0.00 C ATOM 955 CD1 LEU A 112 0.540 1.800 4.876 1.00 0.00 C ATOM 956 CD2 LEU A 112 0.788 2.499 7.274 1.00 0.00 C ATOM 0 H LEU A 112 4.477 0.403 6.323 1.00 0.00 H new ATOM 0 HA LEU A 112 2.484 0.768 8.474 1.00 0.00 H new ATOM 0 HB2 LEU A 112 2.186 -0.217 5.616 1.00 0.00 H new ATOM 0 HB3 LEU A 112 0.913 -0.233 6.819 1.00 0.00 H new ATOM 0 HG LEU A 112 2.377 2.212 5.876 1.00 0.00 H new ATOM 0 HD11 LEU A 112 0.306 2.842 4.656 1.00 0.00 H new ATOM 0 HD12 LEU A 112 1.062 1.359 4.027 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -0.384 1.251 5.059 1.00 0.00 H new ATOM 0 HD21 LEU A 112 0.541 3.508 6.945 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -0.121 1.988 7.591 1.00 0.00 H new ATOM 0 HD23 LEU A 112 1.486 2.551 8.110 1.00 0.00 H new ATOM 968 N ASP A 113 2.122 -2.079 7.642 1.00 0.00 N ATOM 969 CA ASP A 113 2.261 -3.475 7.922 1.00 0.00 C ATOM 970 C ASP A 113 1.637 -4.220 6.792 1.00 0.00 C ATOM 971 O ASP A 113 0.707 -3.771 6.158 1.00 0.00 O ATOM 972 CB ASP A 113 1.614 -3.912 9.246 1.00 0.00 C ATOM 973 CG ASP A 113 2.084 -5.324 9.566 1.00 0.00 C ATOM 974 OD1 ASP A 113 3.295 -5.487 9.873 1.00 0.00 O ATOM 975 OD2 ASP A 113 1.263 -6.262 9.387 1.00 0.00 O ATOM 0 H ASP A 113 1.235 -1.814 7.214 1.00 0.00 H new ATOM 0 HA ASP A 113 3.324 -3.692 8.027 1.00 0.00 H new ATOM 0 HB2 ASP A 113 1.892 -3.228 10.048 1.00 0.00 H new ATOM 0 HB3 ASP A 113 0.527 -3.883 9.165 1.00 0.00 H new ATOM 980 N TRP A 114 2.114 -5.451 6.535 1.00 0.00 N ATOM 981 CA TRP A 114 1.614 -6.214 5.441 1.00 0.00 C ATOM 982 C TRP A 114 0.243 -6.726 5.791 1.00 0.00 C ATOM 983 O TRP A 114 -0.480 -7.219 4.930 1.00 0.00 O ATOM 984 CB TRP A 114 2.569 -7.381 5.123 1.00 0.00 C ATOM 985 CG TRP A 114 3.467 -7.118 3.937 1.00 0.00 C ATOM 986 CD1 TRP A 114 4.798 -7.351 3.743 1.00 0.00 C ATOM 987 CD2 TRP A 114 3.000 -6.447 2.770 1.00 0.00 C ATOM 988 NE1 TRP A 114 5.186 -6.847 2.514 1.00 0.00 N ATOM 989 CE2 TRP A 114 4.081 -6.288 1.899 1.00 0.00 C ATOM 990 CE3 TRP A 114 1.748 -6.017 2.494 1.00 0.00 C ATOM 991 CZ2 TRP A 114 3.838 -5.678 0.678 1.00 0.00 C ATOM 992 CZ3 TRP A 114 1.530 -5.392 1.292 1.00 0.00 C ATOM 993 CH2 TRP A 114 2.537 -5.306 0.359 1.00 0.00 C ATOM 0 H TRP A 114 2.841 -5.913 7.082 1.00 0.00 H new ATOM 0 HA TRP A 114 1.547 -5.586 4.553 1.00 0.00 H new ATOM 0 HB2 TRP A 114 3.186 -7.584 5.998 1.00 0.00 H new ATOM 0 HB3 TRP A 114 1.982 -8.279 4.932 1.00 0.00 H new ATOM 0 HD1 TRP A 114 5.450 -7.853 4.443 1.00 0.00 H new ATOM 0 HE1 TRP A 114 6.129 -6.882 2.127 1.00 0.00 H new ATOM 0 HE3 TRP A 114 0.943 -6.161 3.199 1.00 0.00 H new ATOM 0 HZ2 TRP A 114 4.646 -5.495 -0.014 1.00 0.00 H new ATOM 0 HZ3 TRP A 114 0.562 -4.965 1.077 1.00 0.00 H new ATOM 0 HH2 TRP A 114 2.314 -4.945 -0.634 1.00 0.00 H new ATOM 1004 N ASN A 115 -0.209 -6.486 7.033 1.00 0.00 N ATOM 1005 CA ASN A 115 -1.553 -6.829 7.393 1.00 0.00 C ATOM 1006 C ASN A 115 -2.265 -5.552 7.702 1.00 0.00 C ATOM 1007 O ASN A 115 -3.268 -5.550 8.416 1.00 0.00 O ATOM 1008 CB ASN A 115 -1.575 -7.645 8.690 1.00 0.00 C ATOM 1009 CG ASN A 115 -2.577 -8.776 8.531 1.00 0.00 C ATOM 1010 OD1 ASN A 115 -2.205 -9.937 8.362 1.00 0.00 O ATOM 1011 ND2 ASN A 115 -3.881 -8.429 8.600 1.00 0.00 N ATOM 0 H ASN A 115 0.343 -6.062 7.779 1.00 0.00 H new ATOM 0 HA ASN A 115 -2.006 -7.398 6.581 1.00 0.00 H new ATOM 0 HB2 ASN A 115 -0.583 -8.045 8.903 1.00 0.00 H new ATOM 0 HB3 ASN A 115 -1.851 -7.010 9.532 1.00 0.00 H new ATOM 0 HD21 ASN A 115 -4.604 -9.143 8.511 1.00 0.00 H new ATOM 0 HD22 ASN A 115 -4.142 -7.453 8.741 1.00 0.00 H new ATOM 1018 N THR A 116 -1.764 -4.413 7.179 1.00 0.00 N ATOM 1019 CA THR A 116 -2.201 -3.152 7.693 1.00 0.00 C ATOM 1020 C THR A 116 -3.615 -2.904 7.230 1.00 0.00 C ATOM 1021 O THR A 116 -4.048 -3.372 6.176 1.00 0.00 O ATOM 1022 CB THR A 116 -1.230 -1.956 7.581 1.00 0.00 C ATOM 1023 OG1 THR A 116 -0.552 -1.762 8.814 1.00 0.00 O ATOM 1024 CG2 THR A 116 -1.898 -0.587 7.407 1.00 0.00 C ATOM 0 H THR A 116 -1.079 -4.366 6.425 1.00 0.00 H new ATOM 0 HA THR A 116 -2.196 -3.236 8.780 1.00 0.00 H new ATOM 0 HB THR A 116 -0.618 -2.222 6.719 1.00 0.00 H new ATOM 0 HG1 THR A 116 0.063 -1.003 8.733 1.00 0.00 H new ATOM 0 HG21 THR A 116 -1.132 0.185 7.338 1.00 0.00 H new ATOM 0 HG22 THR A 116 -2.496 -0.587 6.496 1.00 0.00 H new ATOM 0 HG23 THR A 116 -2.541 -0.385 8.263 1.00 0.00 H new ATOM 1032 N ASP A 117 -4.388 -2.190 8.063 1.00 0.00 N ATOM 1033 CA ASP A 117 -5.717 -1.803 7.707 1.00 0.00 C ATOM 1034 C ASP A 117 -5.599 -0.629 6.791 1.00 0.00 C ATOM 1035 O ASP A 117 -5.531 0.506 7.246 1.00 0.00 O ATOM 1036 CB ASP A 117 -6.504 -1.364 8.948 1.00 0.00 C ATOM 1037 CG ASP A 117 -6.337 -2.432 10.022 1.00 0.00 C ATOM 1038 OD1 ASP A 117 -5.224 -2.505 10.610 1.00 0.00 O ATOM 1039 OD2 ASP A 117 -7.322 -3.175 10.270 1.00 0.00 O ATOM 0 H ASP A 117 -4.092 -1.879 8.988 1.00 0.00 H new ATOM 0 HA ASP A 117 -6.235 -2.641 7.242 1.00 0.00 H new ATOM 0 HB2 ASP A 117 -6.139 -0.402 9.309 1.00 0.00 H new ATOM 0 HB3 ASP A 117 -7.558 -1.233 8.703 1.00 0.00 H new ATOM 1044 N ALA A 118 -5.669 -0.907 5.472 1.00 0.00 N ATOM 1045 CA ALA A 118 -5.554 0.114 4.459 1.00 0.00 C ATOM 1046 C ALA A 118 -6.736 1.029 4.581 1.00 0.00 C ATOM 1047 O ALA A 118 -6.699 2.163 4.111 1.00 0.00 O ATOM 1048 CB ALA A 118 -5.706 -0.680 3.148 1.00 0.00 C ATOM 0 H ALA A 118 -5.807 -1.847 5.101 1.00 0.00 H new ATOM 0 HA ALA A 118 -4.635 0.697 4.523 1.00 0.00 H new ATOM 0 HB1 ALA A 118 -5.634 0.001 2.300 1.00 0.00 H new ATOM 0 HB2 ALA A 118 -4.915 -1.427 3.081 1.00 0.00 H new ATOM 0 HB3 ALA A 118 -6.676 -1.177 3.134 1.00 0.00 H new ATOM 1054 N ALA A 119 -7.754 0.591 5.345 1.00 0.00 N ATOM 1055 CA ALA A 119 -8.938 1.373 5.558 1.00 0.00 C ATOM 1056 C ALA A 119 -8.617 2.456 6.551 1.00 0.00 C ATOM 1057 O ALA A 119 -9.431 3.342 6.801 1.00 0.00 O ATOM 1058 CB ALA A 119 -9.731 0.270 6.283 1.00 0.00 C ATOM 0 H ALA A 119 -7.758 -0.312 5.820 1.00 0.00 H new ATOM 0 HA ALA A 119 -9.399 1.850 4.693 1.00 0.00 H new ATOM 0 HB1 ALA A 119 -10.715 0.650 6.557 1.00 0.00 H new ATOM 0 HB2 ALA A 119 -9.845 -0.590 5.623 1.00 0.00 H new ATOM 0 HB3 ALA A 119 -9.195 -0.032 7.183 1.00 0.00 H new ATOM 1064 N SER A 120 -7.394 2.434 7.120 1.00 0.00 N ATOM 1065 CA SER A 120 -6.997 3.468 8.034 1.00 0.00 C ATOM 1066 C SER A 120 -6.113 4.419 7.279 1.00 0.00 C ATOM 1067 O SER A 120 -5.870 5.540 7.719 1.00 0.00 O ATOM 1068 CB SER A 120 -6.206 2.938 9.238 1.00 0.00 C ATOM 1069 OG SER A 120 -6.983 1.989 9.956 1.00 0.00 O ATOM 0 H SER A 120 -6.691 1.715 6.952 1.00 0.00 H new ATOM 0 HA SER A 120 -7.900 3.940 8.421 1.00 0.00 H new ATOM 0 HB2 SER A 120 -5.278 2.477 8.899 1.00 0.00 H new ATOM 0 HB3 SER A 120 -5.930 3.764 9.894 1.00 0.00 H new ATOM 0 HG SER A 120 -6.468 1.656 10.721 1.00 0.00 H new ATOM 1075 N LEU A 121 -5.603 3.969 6.114 1.00 0.00 N ATOM 1076 CA LEU A 121 -4.753 4.793 5.298 1.00 0.00 C ATOM 1077 C LEU A 121 -5.577 5.223 4.149 1.00 0.00 C ATOM 1078 O LEU A 121 -5.065 5.652 3.118 1.00 0.00 O ATOM 1079 CB LEU A 121 -3.566 4.005 4.732 1.00 0.00 C ATOM 1080 CG LEU A 121 -2.741 3.305 5.809 1.00 0.00 C ATOM 1081 CD1 LEU A 121 -2.636 4.126 7.097 1.00 0.00 C ATOM 1082 CD2 LEU A 121 -3.313 1.944 6.193 1.00 0.00 C ATOM 0 H LEU A 121 -5.778 3.038 5.736 1.00 0.00 H new ATOM 0 HA LEU A 121 -4.365 5.617 5.897 1.00 0.00 H new ATOM 0 HB2 LEU A 121 -3.935 3.261 4.026 1.00 0.00 H new ATOM 0 HB3 LEU A 121 -2.921 4.683 4.173 1.00 0.00 H new ATOM 0 HG LEU A 121 -1.756 3.186 5.358 1.00 0.00 H new ATOM 0 HD11 LEU A 121 -2.039 3.581 7.828 1.00 0.00 H new ATOM 0 HD12 LEU A 121 -2.161 5.083 6.881 1.00 0.00 H new ATOM 0 HD13 LEU A 121 -3.634 4.299 7.500 1.00 0.00 H new ATOM 0 HD21 LEU A 121 -2.688 1.490 6.962 1.00 0.00 H new ATOM 0 HD22 LEU A 121 -4.326 2.070 6.576 1.00 0.00 H new ATOM 0 HD23 LEU A 121 -3.335 1.298 5.315 1.00 0.00 H new ATOM 1094 N ILE A 122 -6.894 5.079 4.332 1.00 0.00 N ATOM 1095 CA ILE A 122 -7.824 5.235 3.253 1.00 0.00 C ATOM 1096 C ILE A 122 -7.884 6.685 2.894 1.00 0.00 C ATOM 1097 O ILE A 122 -7.905 7.564 3.754 1.00 0.00 O ATOM 1098 CB ILE A 122 -9.219 4.697 3.612 1.00 0.00 C ATOM 1099 CG1 ILE A 122 -9.924 3.955 2.473 1.00 0.00 C ATOM 1100 CG2 ILE A 122 -10.193 5.737 4.194 1.00 0.00 C ATOM 1101 CD1 ILE A 122 -9.228 2.665 2.025 1.00 0.00 C ATOM 0 H ILE A 122 -7.323 4.853 5.229 1.00 0.00 H new ATOM 0 HA ILE A 122 -7.483 4.650 2.399 1.00 0.00 H new ATOM 0 HB ILE A 122 -8.974 3.985 4.400 1.00 0.00 H new ATOM 0 HG12 ILE A 122 -10.939 3.714 2.788 1.00 0.00 H new ATOM 0 HG13 ILE A 122 -10.006 4.624 1.617 1.00 0.00 H new ATOM 0 HG21 ILE A 122 -11.147 5.259 4.414 1.00 0.00 H new ATOM 0 HG22 ILE A 122 -9.776 6.153 5.111 1.00 0.00 H new ATOM 0 HG23 ILE A 122 -10.346 6.537 3.470 1.00 0.00 H new ATOM 0 HD11 ILE A 122 -9.797 2.207 1.216 1.00 0.00 H new ATOM 0 HD12 ILE A 122 -8.222 2.897 1.676 1.00 0.00 H new ATOM 0 HD13 ILE A 122 -9.170 1.972 2.865 1.00 0.00 H new ATOM 1113 N GLY A 123 -7.869 6.940 1.576 1.00 0.00 N ATOM 1114 CA GLY A 123 -8.004 8.278 1.066 1.00 0.00 C ATOM 1115 C GLY A 123 -6.650 8.923 1.098 1.00 0.00 C ATOM 1116 O GLY A 123 -6.537 10.128 1.298 1.00 0.00 O ATOM 0 H GLY A 123 -7.764 6.223 0.858 1.00 0.00 H new ATOM 0 HA2 GLY A 123 -8.394 8.261 0.048 1.00 0.00 H new ATOM 0 HA3 GLY A 123 -8.712 8.847 1.669 1.00 0.00 H new ATOM 1120 N GLU A 124 -5.582 8.133 0.861 1.00 0.00 N ATOM 1121 CA GLU A 124 -4.258 8.668 0.963 1.00 0.00 C ATOM 1122 C GLU A 124 -3.472 8.153 -0.203 1.00 0.00 C ATOM 1123 O GLU A 124 -4.030 7.626 -1.171 1.00 0.00 O ATOM 1124 CB GLU A 124 -3.526 8.203 2.228 1.00 0.00 C ATOM 1125 CG GLU A 124 -4.331 8.397 3.518 1.00 0.00 C ATOM 1126 CD GLU A 124 -4.107 9.818 4.021 1.00 0.00 C ATOM 1127 OE1 GLU A 124 -2.919 10.200 4.221 1.00 0.00 O ATOM 1128 OE2 GLU A 124 -5.117 10.532 4.256 1.00 0.00 O ATOM 0 H GLU A 124 -5.633 7.147 0.605 1.00 0.00 H new ATOM 0 HA GLU A 124 -4.340 9.755 0.990 1.00 0.00 H new ATOM 0 HB2 GLU A 124 -3.275 7.148 2.123 1.00 0.00 H new ATOM 0 HB3 GLU A 124 -2.586 8.748 2.313 1.00 0.00 H new ATOM 0 HG2 GLU A 124 -5.391 8.224 3.332 1.00 0.00 H new ATOM 0 HG3 GLU A 124 -4.018 7.675 4.272 1.00 0.00 H new ATOM 1135 N GLU A 125 -2.133 8.266 -0.103 1.00 0.00 N ATOM 1136 CA GLU A 125 -1.264 7.692 -1.088 1.00 0.00 C ATOM 1137 C GLU A 125 -0.371 6.738 -0.378 1.00 0.00 C ATOM 1138 O GLU A 125 0.219 7.068 0.654 1.00 0.00 O ATOM 1139 CB GLU A 125 -0.374 8.701 -1.821 1.00 0.00 C ATOM 1140 CG GLU A 125 -1.146 9.568 -2.816 1.00 0.00 C ATOM 1141 CD GLU A 125 -0.868 11.030 -2.493 1.00 0.00 C ATOM 1142 OE1 GLU A 125 -1.047 11.420 -1.302 1.00 0.00 O ATOM 1143 OE2 GLU A 125 -0.454 11.772 -3.421 1.00 0.00 O ATOM 0 H GLU A 125 -1.654 8.752 0.655 1.00 0.00 H new ATOM 0 HA GLU A 125 -1.899 7.231 -1.845 1.00 0.00 H new ATOM 0 HB2 GLU A 125 0.114 9.345 -1.089 1.00 0.00 H new ATOM 0 HB3 GLU A 125 0.414 8.165 -2.350 1.00 0.00 H new ATOM 0 HG2 GLU A 125 -0.839 9.340 -3.837 1.00 0.00 H new ATOM 0 HG3 GLU A 125 -2.214 9.361 -2.751 1.00 0.00 H new ATOM 1150 N LEU A 126 -0.241 5.533 -0.954 1.00 0.00 N ATOM 1151 CA LEU A 126 0.620 4.532 -0.401 1.00 0.00 C ATOM 1152 C LEU A 126 1.809 4.432 -1.302 1.00 0.00 C ATOM 1153 O LEU A 126 1.853 5.027 -2.375 1.00 0.00 O ATOM 1154 CB LEU A 126 -0.014 3.127 -0.358 1.00 0.00 C ATOM 1155 CG LEU A 126 -1.087 2.944 0.723 1.00 0.00 C ATOM 1156 CD1 LEU A 126 -0.947 1.620 1.486 1.00 0.00 C ATOM 1157 CD2 LEU A 126 -1.129 4.071 1.762 1.00 0.00 C ATOM 0 H LEU A 126 -0.731 5.249 -1.803 1.00 0.00 H new ATOM 0 HA LEU A 126 0.851 4.829 0.622 1.00 0.00 H new ATOM 0 HB2 LEU A 126 -0.457 2.912 -1.331 1.00 0.00 H new ATOM 0 HB3 LEU A 126 0.774 2.392 -0.197 1.00 0.00 H new ATOM 0 HG LEU A 126 -2.015 2.954 0.151 1.00 0.00 H new ATOM 0 HD11 LEU A 126 -1.734 1.548 2.237 1.00 0.00 H new ATOM 0 HD12 LEU A 126 -1.034 0.787 0.788 1.00 0.00 H new ATOM 0 HD13 LEU A 126 0.026 1.583 1.975 1.00 0.00 H new ATOM 0 HD21 LEU A 126 -1.914 3.866 2.490 1.00 0.00 H new ATOM 0 HD22 LEU A 126 -0.168 4.132 2.272 1.00 0.00 H new ATOM 0 HD23 LEU A 126 -1.335 5.018 1.263 1.00 0.00 H new ATOM 1169 N GLN A 127 2.809 3.637 -0.886 1.00 0.00 N ATOM 1170 CA GLN A 127 3.934 3.376 -1.734 1.00 0.00 C ATOM 1171 C GLN A 127 4.530 2.090 -1.276 1.00 0.00 C ATOM 1172 O GLN A 127 4.333 1.678 -0.137 1.00 0.00 O ATOM 1173 CB GLN A 127 5.023 4.456 -1.671 1.00 0.00 C ATOM 1174 CG GLN A 127 5.909 4.515 -2.925 1.00 0.00 C ATOM 1175 CD GLN A 127 7.350 4.734 -2.485 1.00 0.00 C ATOM 1176 OE1 GLN A 127 7.710 5.812 -2.013 1.00 0.00 O ATOM 1177 NE2 GLN A 127 8.209 3.695 -2.664 1.00 0.00 N ATOM 0 H GLN A 127 2.842 3.179 0.025 1.00 0.00 H new ATOM 0 HA GLN A 127 3.579 3.351 -2.764 1.00 0.00 H new ATOM 0 HB2 GLN A 127 4.551 5.427 -1.525 1.00 0.00 H new ATOM 0 HB3 GLN A 127 5.653 4.274 -0.800 1.00 0.00 H new ATOM 0 HG2 GLN A 127 5.823 3.589 -3.494 1.00 0.00 H new ATOM 0 HG3 GLN A 127 5.585 5.324 -3.580 1.00 0.00 H new ATOM 0 HE21 GLN A 127 7.872 2.817 -3.058 1.00 0.00 H new ATOM 0 HE22 GLN A 127 9.190 3.794 -2.404 1.00 0.00 H new ATOM 1186 N VAL A 128 5.274 1.420 -2.172 1.00 0.00 N ATOM 1187 CA VAL A 128 5.925 0.198 -1.809 1.00 0.00 C ATOM 1188 C VAL A 128 7.379 0.373 -2.113 1.00 0.00 C ATOM 1189 O VAL A 128 7.749 1.063 -3.062 1.00 0.00 O ATOM 1190 CB VAL A 128 5.367 -1.025 -2.552 1.00 0.00 C ATOM 1191 CG1 VAL A 128 6.235 -2.280 -2.419 1.00 0.00 C ATOM 1192 CG2 VAL A 128 3.985 -1.459 -2.047 1.00 0.00 C ATOM 0 H VAL A 128 5.425 1.718 -3.136 1.00 0.00 H new ATOM 0 HA VAL A 128 5.752 0.002 -0.751 1.00 0.00 H new ATOM 0 HB VAL A 128 5.334 -0.674 -3.583 1.00 0.00 H new ATOM 0 HG11 VAL A 128 5.775 -3.100 -2.970 1.00 0.00 H new ATOM 0 HG12 VAL A 128 7.227 -2.081 -2.825 1.00 0.00 H new ATOM 0 HG13 VAL A 128 6.321 -2.553 -1.367 1.00 0.00 H new ATOM 0 HG21 VAL A 128 3.647 -2.327 -2.613 1.00 0.00 H new ATOM 0 HG22 VAL A 128 4.048 -1.717 -0.990 1.00 0.00 H new ATOM 0 HG23 VAL A 128 3.276 -0.642 -2.179 1.00 0.00 H new ATOM 1202 N ASP A 129 8.237 -0.225 -1.268 1.00 0.00 N ATOM 1203 CA ASP A 129 9.654 -0.090 -1.433 1.00 0.00 C ATOM 1204 C ASP A 129 10.259 -1.423 -1.110 1.00 0.00 C ATOM 1205 O ASP A 129 9.568 -2.437 -1.067 1.00 0.00 O ATOM 1206 CB ASP A 129 10.241 0.986 -0.500 1.00 0.00 C ATOM 1207 CG ASP A 129 11.112 1.913 -1.332 1.00 0.00 C ATOM 1208 OD1 ASP A 129 12.143 1.426 -1.868 1.00 0.00 O ATOM 1209 OD2 ASP A 129 10.733 3.107 -1.473 1.00 0.00 O ATOM 0 H ASP A 129 7.954 -0.799 -0.474 1.00 0.00 H new ATOM 0 HA ASP A 129 9.877 0.221 -2.454 1.00 0.00 H new ATOM 0 HB2 ASP A 129 9.441 1.548 -0.017 1.00 0.00 H new ATOM 0 HB3 ASP A 129 10.828 0.522 0.293 1.00 0.00 H new ATOM 1214 N PHE A 130 11.580 -1.449 -0.839 1.00 0.00 N ATOM 1215 CA PHE A 130 12.245 -2.691 -0.571 1.00 0.00 C ATOM 1216 C PHE A 130 11.871 -3.126 0.821 1.00 0.00 C ATOM 1217 O PHE A 130 11.416 -2.329 1.643 1.00 0.00 O ATOM 1218 CB PHE A 130 13.780 -2.609 -0.693 1.00 0.00 C ATOM 1219 CG PHE A 130 14.239 -1.366 -0.001 1.00 0.00 C ATOM 1220 CD1 PHE A 130 14.561 -1.383 1.362 1.00 0.00 C ATOM 1221 CD2 PHE A 130 14.418 -0.179 -0.697 1.00 0.00 C ATOM 1222 CE1 PHE A 130 14.981 -0.234 2.007 1.00 0.00 C ATOM 1223 CE2 PHE A 130 14.832 0.971 -0.046 1.00 0.00 C ATOM 1224 CZ PHE A 130 15.111 0.948 1.304 1.00 0.00 C ATOM 0 H PHE A 130 12.179 -0.624 -0.806 1.00 0.00 H new ATOM 0 HA PHE A 130 11.921 -3.411 -1.323 1.00 0.00 H new ATOM 0 HB2 PHE A 130 14.244 -3.487 -0.244 1.00 0.00 H new ATOM 0 HB3 PHE A 130 14.077 -2.592 -1.742 1.00 0.00 H new ATOM 0 HD1 PHE A 130 14.480 -2.306 1.917 1.00 0.00 H new ATOM 0 HD2 PHE A 130 14.232 -0.152 -1.761 1.00 0.00 H new ATOM 0 HE1 PHE A 130 15.208 -0.261 3.063 1.00 0.00 H new ATOM 0 HE2 PHE A 130 14.937 1.892 -0.600 1.00 0.00 H new ATOM 0 HZ PHE A 130 15.429 1.848 1.809 1.00 0.00 H new ATOM 1234 N LEU A 131 12.082 -4.425 1.117 1.00 0.00 N ATOM 1235 CA LEU A 131 11.739 -4.957 2.396 1.00 0.00 C ATOM 1236 C LEU A 131 12.765 -4.482 3.370 1.00 0.00 C ATOM 1237 O LEU A 131 13.964 -4.478 3.098 1.00 0.00 O ATOM 1238 CB LEU A 131 11.584 -6.487 2.441 1.00 0.00 C ATOM 1239 CG LEU A 131 12.905 -7.251 2.574 1.00 0.00 C ATOM 1240 CD1 LEU A 131 13.302 -7.489 4.037 1.00 0.00 C ATOM 1241 CD2 LEU A 131 12.916 -8.579 1.811 1.00 0.00 C ATOM 0 H LEU A 131 12.489 -5.101 0.471 1.00 0.00 H new ATOM 0 HA LEU A 131 10.745 -4.592 2.654 1.00 0.00 H new ATOM 0 HB2 LEU A 131 10.939 -6.751 3.280 1.00 0.00 H new ATOM 0 HB3 LEU A 131 11.077 -6.816 1.534 1.00 0.00 H new ATOM 0 HG LEU A 131 13.648 -6.599 2.115 1.00 0.00 H new ATOM 0 HD11 LEU A 131 14.245 -8.034 4.074 1.00 0.00 H new ATOM 0 HD12 LEU A 131 13.417 -6.531 4.543 1.00 0.00 H new ATOM 0 HD13 LEU A 131 12.526 -8.072 4.534 1.00 0.00 H new ATOM 0 HD21 LEU A 131 13.880 -9.069 1.947 1.00 0.00 H new ATOM 0 HD22 LEU A 131 12.124 -9.224 2.192 1.00 0.00 H new ATOM 0 HD23 LEU A 131 12.751 -8.390 0.750 1.00 0.00 H new ATOM 1253 N ASP A 132 12.268 -4.027 4.521 1.00 0.00 N ATOM 1254 CA ASP A 132 13.078 -3.291 5.451 1.00 0.00 C ATOM 1255 C ASP A 132 13.396 -4.225 6.647 1.00 0.00 C ATOM 1256 O ASP A 132 13.264 -3.764 7.815 1.00 0.00 O ATOM 1257 CB ASP A 132 12.425 -1.982 5.955 1.00 0.00 C ATOM 1258 CG ASP A 132 11.069 -2.300 6.590 1.00 0.00 C ATOM 1259 OD1 ASP A 132 10.618 -3.477 6.529 1.00 0.00 O ATOM 1260 OD2 ASP A 132 10.420 -1.357 7.116 1.00 0.00 O ATOM 1261 OXT ASP A 132 13.894 -5.357 6.404 1.00 0.00 O ATOM 0 H ASP A 132 11.302 -4.164 4.819 1.00 0.00 H new ATOM 0 HA ASP A 132 13.983 -2.979 4.930 1.00 0.00 H new ATOM 0 HB2 ASP A 132 13.074 -1.496 6.683 1.00 0.00 H new ATOM 0 HB3 ASP A 132 12.296 -1.285 5.127 1.00 0.00 H new TER 1266 ASP A 132