USER MOD reduce.3.24.130724 H: found=0, std=0, add=640, rem=0, adj=15 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+ -161:sc= 2.2 (180deg=1.12) USER MOD Set 1.2: A 127 GLN : amide:sc= 2.45 K(o=4.7,f=-3.3) USER MOD Set 2.1: A 77 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 115 ASN : amide:sc= 0.346 X(o=0.35,f=0.14) USER MOD Set 3.1: A 64 ASN : amide:sc= 1.44 K(o=2.6,f=-7.5!) USER MOD Set 3.2: A 65 LYS NZ :NH3+ 176:sc= 1.18 (180deg=0) USER MOD Set 4.1: A 55 SER OG : rot 161:sc= 0.611 USER MOD Set 4.2: A 57 THR OG1 : rot -55:sc= 1.31 USER MOD Single : A 56 ASN : amide:sc= -0.0209 X(o=-0.021,f=-0.021) USER MOD Single : A 66 GLN : amide:sc= 0.974 K(o=0.97,f=-5!) USER MOD Single : A 68 THR OG1 : rot 180:sc= -0.11 USER MOD Single : A 71 ASN : amide:sc= -0.406 K(o=-0.41,f=-1.4) USER MOD Single : A 74 ASN : amide:sc= -0.0648 K(o=-0.065,f=-1.8!) USER MOD Single : A 76 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 79 HIS : no HD1:sc= -6.72! C(o=-6.7!,f=-6.3!) USER MOD Single : A 81 CYS SG : rot 43:sc= -0.833 USER MOD Single : A 83 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 84 LYS NZ :NH3+ -177:sc= 0.0859 (180deg=0.084) USER MOD Single : A 87 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0741) USER MOD Single : A 92 GLN : amide:sc= 0.302 X(o=0.3,f=-0.12) USER MOD Single : A 95 CYS SG : rot 180:sc= 0 USER MOD Single : A 96 CYS SG : rot 118:sc= 0.0907 USER MOD Single : A 103 HIS : no HD1:sc= 0.724 K(o=1.3,f=-8!) USER MOD Single : A 105 HIS : no HE2:sc= -3.13! K(o=-3.1!,f=-2.1) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0062) USER MOD Single : A 116 THR OG1 : rot -150:sc= -0.115 USER MOD Single : A 120 SER OG : rot 40:sc= 1.15 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 55 -12.440 8.444 2.268 1.00 0.00 N ATOM 2 CA SER A 55 -12.307 7.711 1.007 1.00 0.00 C ATOM 3 C SER A 55 -12.517 6.250 1.233 1.00 0.00 C ATOM 4 O SER A 55 -12.689 5.797 2.363 1.00 0.00 O ATOM 5 CB SER A 55 -10.887 7.885 0.440 1.00 0.00 C ATOM 6 OG SER A 55 -10.877 7.611 -0.958 1.00 0.00 O ATOM 0 HA SER A 55 -13.051 8.104 0.314 1.00 0.00 H new ATOM 0 HB2 SER A 55 -10.538 8.902 0.621 1.00 0.00 H new ATOM 0 HB3 SER A 55 -10.198 7.215 0.954 1.00 0.00 H new ATOM 0 HG SER A 55 -10.077 8.006 -1.363 1.00 0.00 H new ATOM 14 N ASN A 56 -12.512 5.475 0.135 1.00 0.00 N ATOM 15 CA ASN A 56 -12.447 4.048 0.246 1.00 0.00 C ATOM 16 C ASN A 56 -11.413 3.590 -0.735 1.00 0.00 C ATOM 17 O ASN A 56 -11.386 2.426 -1.132 1.00 0.00 O ATOM 18 CB ASN A 56 -13.761 3.316 -0.046 1.00 0.00 C ATOM 19 CG ASN A 56 -14.847 3.895 0.849 1.00 0.00 C ATOM 20 OD1 ASN A 56 -15.679 4.688 0.407 1.00 0.00 O ATOM 21 ND2 ASN A 56 -14.861 3.472 2.136 1.00 0.00 N ATOM 0 H ASN A 56 -12.552 5.829 -0.821 1.00 0.00 H new ATOM 0 HA ASN A 56 -12.209 3.810 1.283 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -14.034 3.431 -1.095 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -13.648 2.248 0.138 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -15.579 3.811 2.777 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -14.154 2.814 2.464 1.00 0.00 H new ATOM 28 N THR A 57 -10.504 4.513 -1.108 1.00 0.00 N ATOM 29 CA THR A 57 -9.538 4.226 -2.126 1.00 0.00 C ATOM 30 C THR A 57 -8.197 4.623 -1.589 1.00 0.00 C ATOM 31 O THR A 57 -8.094 5.482 -0.713 1.00 0.00 O ATOM 32 CB THR A 57 -9.785 5.013 -3.425 1.00 0.00 C ATOM 33 OG1 THR A 57 -9.629 6.412 -3.201 1.00 0.00 O ATOM 34 CG2 THR A 57 -11.201 4.843 -3.981 1.00 0.00 C ATOM 0 H THR A 57 -10.438 5.449 -0.709 1.00 0.00 H new ATOM 0 HA THR A 57 -9.603 3.166 -2.370 1.00 0.00 H new ATOM 0 HB THR A 57 -9.058 4.615 -4.133 1.00 0.00 H new ATOM 0 HG1 THR A 57 -10.219 6.694 -2.471 1.00 0.00 H new ATOM 0 HG21 THR A 57 -11.305 5.425 -4.897 1.00 0.00 H new ATOM 0 HG22 THR A 57 -11.383 3.790 -4.198 1.00 0.00 H new ATOM 0 HG23 THR A 57 -11.925 5.192 -3.245 1.00 0.00 H new ATOM 42 N ILE A 58 -7.128 4.010 -2.133 1.00 0.00 N ATOM 43 CA ILE A 58 -5.798 4.433 -1.804 1.00 0.00 C ATOM 44 C ILE A 58 -4.962 4.188 -3.016 1.00 0.00 C ATOM 45 O ILE A 58 -5.379 3.480 -3.931 1.00 0.00 O ATOM 46 CB ILE A 58 -5.160 3.717 -0.603 1.00 0.00 C ATOM 47 CG1 ILE A 58 -6.154 2.868 0.200 1.00 0.00 C ATOM 48 CG2 ILE A 58 -4.343 4.668 0.293 1.00 0.00 C ATOM 49 CD1 ILE A 58 -5.485 1.937 1.216 1.00 0.00 C ATOM 0 H ILE A 58 -7.181 3.233 -2.791 1.00 0.00 H new ATOM 0 HA ILE A 58 -5.852 5.481 -1.509 1.00 0.00 H new ATOM 0 HB ILE A 58 -4.450 3.011 -1.034 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -6.843 3.530 0.725 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -6.749 2.271 -0.490 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -3.916 4.107 1.125 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -3.540 5.118 -0.291 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -4.994 5.452 0.680 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -6.249 1.368 1.746 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -4.817 1.250 0.696 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -4.912 2.529 1.930 1.00 0.00 H new ATOM 61 N ARG A 59 -3.751 4.778 -3.060 1.00 0.00 N ATOM 62 CA ARG A 59 -2.955 4.667 -4.239 1.00 0.00 C ATOM 63 C ARG A 59 -1.719 3.937 -3.871 1.00 0.00 C ATOM 64 O ARG A 59 -1.286 3.991 -2.730 1.00 0.00 O ATOM 65 CB ARG A 59 -2.597 6.044 -4.778 1.00 0.00 C ATOM 66 CG ARG A 59 -3.822 6.802 -5.286 1.00 0.00 C ATOM 67 CD ARG A 59 -4.056 8.147 -4.590 1.00 0.00 C ATOM 68 NE ARG A 59 -5.478 8.537 -4.838 1.00 0.00 N ATOM 69 CZ ARG A 59 -6.485 7.971 -4.117 1.00 0.00 C ATOM 70 NH1 ARG A 59 -6.257 7.468 -2.887 1.00 0.00 N ATOM 71 NH2 ARG A 59 -7.774 8.182 -4.467 1.00 0.00 N ATOM 0 H ARG A 59 -3.335 5.317 -2.301 1.00 0.00 H new ATOM 0 HA ARG A 59 -3.507 4.138 -5.016 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -2.112 6.625 -3.993 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -1.875 5.939 -5.588 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -3.712 6.973 -6.357 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -4.705 6.177 -5.152 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -3.861 8.065 -3.521 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -3.376 8.905 -4.980 1.00 0.00 H new ATOM 0 HE ARG A 59 -5.695 9.232 -5.552 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -5.320 7.509 -2.485 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -7.021 7.047 -2.359 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -7.994 8.767 -5.273 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -8.526 7.757 -3.925 1.00 0.00 H new ATOM 85 N VAL A 60 -1.141 3.222 -4.852 1.00 0.00 N ATOM 86 CA VAL A 60 0.034 2.444 -4.591 1.00 0.00 C ATOM 87 C VAL A 60 1.033 2.789 -5.645 1.00 0.00 C ATOM 88 O VAL A 60 0.811 2.548 -6.829 1.00 0.00 O ATOM 89 CB VAL A 60 -0.200 0.928 -4.619 1.00 0.00 C ATOM 90 CG1 VAL A 60 0.967 0.122 -4.034 1.00 0.00 C ATOM 91 CG2 VAL A 60 -1.497 0.504 -3.915 1.00 0.00 C ATOM 0 H VAL A 60 -1.479 3.181 -5.813 1.00 0.00 H new ATOM 0 HA VAL A 60 0.371 2.682 -3.582 1.00 0.00 H new ATOM 0 HB VAL A 60 -0.285 0.697 -5.681 1.00 0.00 H new ATOM 0 HG11 VAL A 60 0.736 -0.942 -4.085 1.00 0.00 H new ATOM 0 HG12 VAL A 60 1.872 0.324 -4.607 1.00 0.00 H new ATOM 0 HG13 VAL A 60 1.123 0.410 -2.994 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -1.603 -0.579 -3.970 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -1.461 0.812 -2.870 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -2.348 0.978 -4.404 1.00 0.00 H new ATOM 101 N PHE A 61 2.183 3.333 -5.211 1.00 0.00 N ATOM 102 CA PHE A 61 3.210 3.726 -6.131 1.00 0.00 C ATOM 103 C PHE A 61 4.223 2.624 -6.143 1.00 0.00 C ATOM 104 O PHE A 61 4.480 1.990 -5.117 1.00 0.00 O ATOM 105 CB PHE A 61 3.905 5.021 -5.689 1.00 0.00 C ATOM 106 CG PHE A 61 3.049 6.172 -6.104 1.00 0.00 C ATOM 107 CD1 PHE A 61 1.798 6.385 -5.512 1.00 0.00 C ATOM 108 CD2 PHE A 61 3.512 7.123 -7.001 1.00 0.00 C ATOM 109 CE1 PHE A 61 1.053 7.512 -5.804 1.00 0.00 C ATOM 110 CE2 PHE A 61 2.779 8.268 -7.265 1.00 0.00 C ATOM 111 CZ PHE A 61 1.551 8.463 -6.669 1.00 0.00 C ATOM 0 H PHE A 61 2.404 3.501 -4.229 1.00 0.00 H new ATOM 0 HA PHE A 61 2.770 3.903 -7.112 1.00 0.00 H new ATOM 0 HB2 PHE A 61 4.051 5.025 -4.609 1.00 0.00 H new ATOM 0 HB3 PHE A 61 4.892 5.097 -6.144 1.00 0.00 H new ATOM 0 HD1 PHE A 61 1.409 5.657 -4.816 1.00 0.00 H new ATOM 0 HD2 PHE A 61 4.457 6.969 -7.500 1.00 0.00 H new ATOM 0 HE1 PHE A 61 0.080 7.648 -5.354 1.00 0.00 H new ATOM 0 HE2 PHE A 61 3.172 9.013 -7.942 1.00 0.00 H new ATOM 0 HZ PHE A 61 0.982 9.357 -6.879 1.00 0.00 H new ATOM 121 N LEU A 62 4.844 2.357 -7.314 1.00 0.00 N ATOM 122 CA LEU A 62 5.702 1.207 -7.404 1.00 0.00 C ATOM 123 C LEU A 62 7.068 1.610 -6.921 1.00 0.00 C ATOM 124 O LEU A 62 7.396 2.797 -6.844 1.00 0.00 O ATOM 125 CB LEU A 62 5.834 0.638 -8.824 1.00 0.00 C ATOM 126 CG LEU A 62 4.688 -0.299 -9.227 1.00 0.00 C ATOM 127 CD1 LEU A 62 4.953 -1.767 -8.879 1.00 0.00 C ATOM 128 CD2 LEU A 62 3.320 0.104 -8.653 1.00 0.00 C ATOM 0 H LEU A 62 4.759 2.912 -8.166 1.00 0.00 H new ATOM 0 HA LEU A 62 5.254 0.422 -6.795 1.00 0.00 H new ATOM 0 HB2 LEU A 62 5.881 1.464 -9.533 1.00 0.00 H new ATOM 0 HB3 LEU A 62 6.777 0.097 -8.902 1.00 0.00 H new ATOM 0 HG LEU A 62 4.650 -0.192 -10.311 1.00 0.00 H new ATOM 0 HD11 LEU A 62 4.103 -2.374 -9.191 1.00 0.00 H new ATOM 0 HD12 LEU A 62 5.851 -2.107 -9.395 1.00 0.00 H new ATOM 0 HD13 LEU A 62 5.094 -1.866 -7.803 1.00 0.00 H new ATOM 0 HD21 LEU A 62 2.563 -0.607 -8.983 1.00 0.00 H new ATOM 0 HD22 LEU A 62 3.368 0.103 -7.564 1.00 0.00 H new ATOM 0 HD23 LEU A 62 3.058 1.102 -9.004 1.00 0.00 H new ATOM 140 N PRO A 63 7.864 0.570 -6.684 1.00 0.00 N ATOM 141 CA PRO A 63 9.201 0.981 -6.315 1.00 0.00 C ATOM 142 C PRO A 63 9.894 1.204 -7.630 1.00 0.00 C ATOM 143 O PRO A 63 10.607 0.343 -8.147 1.00 0.00 O ATOM 144 CB PRO A 63 9.809 -0.206 -5.599 1.00 0.00 C ATOM 145 CG PRO A 63 8.647 -1.112 -5.198 1.00 0.00 C ATOM 146 CD PRO A 63 7.399 -0.535 -5.865 1.00 0.00 C ATOM 0 HA PRO A 63 9.260 1.867 -5.682 1.00 0.00 H new ATOM 0 HB2 PRO A 63 10.507 -0.735 -6.248 1.00 0.00 H new ATOM 0 HB3 PRO A 63 10.371 0.116 -4.722 1.00 0.00 H new ATOM 0 HG2 PRO A 63 8.823 -2.137 -5.525 1.00 0.00 H new ATOM 0 HG3 PRO A 63 8.531 -1.138 -4.114 1.00 0.00 H new ATOM 0 HD2 PRO A 63 6.897 -1.288 -6.473 1.00 0.00 H new ATOM 0 HD3 PRO A 63 6.680 -0.194 -5.120 1.00 0.00 H new ATOM 154 N ASN A 64 9.679 2.399 -8.208 1.00 0.00 N ATOM 155 CA ASN A 64 10.292 2.755 -9.451 1.00 0.00 C ATOM 156 C ASN A 64 9.815 4.137 -9.763 1.00 0.00 C ATOM 157 O ASN A 64 10.497 5.115 -9.470 1.00 0.00 O ATOM 158 CB ASN A 64 9.951 1.801 -10.620 1.00 0.00 C ATOM 159 CG ASN A 64 11.254 1.344 -11.263 1.00 0.00 C ATOM 160 OD1 ASN A 64 11.763 1.984 -12.185 1.00 0.00 O ATOM 161 ND2 ASN A 64 11.813 0.209 -10.766 1.00 0.00 N ATOM 0 H ASN A 64 9.078 3.122 -7.813 1.00 0.00 H new ATOM 0 HA ASN A 64 11.375 2.689 -9.344 1.00 0.00 H new ATOM 0 HB2 ASN A 64 9.386 0.943 -10.257 1.00 0.00 H new ATOM 0 HB3 ASN A 64 9.324 2.308 -11.353 1.00 0.00 H new ATOM 0 HD21 ASN A 64 12.687 -0.143 -11.157 1.00 0.00 H new ATOM 0 HD22 ASN A 64 11.359 -0.291 -10.002 1.00 0.00 H new ATOM 168 N LYS A 65 8.569 4.248 -10.263 1.00 0.00 N ATOM 169 CA LYS A 65 7.970 5.540 -10.415 1.00 0.00 C ATOM 170 C LYS A 65 6.524 5.345 -10.780 1.00 0.00 C ATOM 171 O LYS A 65 5.877 6.261 -11.282 1.00 0.00 O ATOM 172 CB LYS A 65 8.645 6.442 -11.467 1.00 0.00 C ATOM 173 CG LYS A 65 8.587 5.889 -12.899 1.00 0.00 C ATOM 174 CD LYS A 65 9.682 4.862 -13.214 1.00 0.00 C ATOM 175 CE LYS A 65 11.103 5.382 -12.970 1.00 0.00 C ATOM 176 NZ LYS A 65 12.080 4.396 -13.424 1.00 0.00 N ATOM 0 H LYS A 65 7.988 3.463 -10.556 1.00 0.00 H new ATOM 0 HA LYS A 65 8.092 6.059 -9.464 1.00 0.00 H new ATOM 0 HB2 LYS A 65 8.169 7.422 -11.448 1.00 0.00 H new ATOM 0 HB3 LYS A 65 9.688 6.589 -11.188 1.00 0.00 H new ATOM 0 HG2 LYS A 65 7.613 5.428 -13.061 1.00 0.00 H new ATOM 0 HG3 LYS A 65 8.667 6.718 -13.602 1.00 0.00 H new ATOM 0 HD2 LYS A 65 9.520 3.973 -12.604 1.00 0.00 H new ATOM 0 HD3 LYS A 65 9.591 4.555 -14.256 1.00 0.00 H new ATOM 0 HE2 LYS A 65 11.251 6.323 -13.500 1.00 0.00 H new ATOM 0 HE3 LYS A 65 11.247 5.587 -11.909 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 13.039 4.783 -13.318 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 11.991 3.531 -12.854 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 11.907 4.171 -14.424 1.00 0.00 H new ATOM 190 N GLN A 66 5.948 4.153 -10.499 1.00 0.00 N ATOM 191 CA GLN A 66 4.628 3.886 -10.985 1.00 0.00 C ATOM 192 C GLN A 66 3.648 4.173 -9.915 1.00 0.00 C ATOM 193 O GLN A 66 4.013 4.563 -8.813 1.00 0.00 O ATOM 194 CB GLN A 66 4.396 2.481 -11.535 1.00 0.00 C ATOM 195 CG GLN A 66 4.688 2.363 -13.027 1.00 0.00 C ATOM 196 CD GLN A 66 3.458 2.830 -13.795 1.00 0.00 C ATOM 197 OE1 GLN A 66 3.304 4.018 -14.087 1.00 0.00 O ATOM 198 NE2 GLN A 66 2.532 1.884 -14.103 1.00 0.00 N ATOM 0 H GLN A 66 6.379 3.404 -9.957 1.00 0.00 H new ATOM 0 HA GLN A 66 4.497 4.545 -11.843 1.00 0.00 H new ATOM 0 HB2 GLN A 66 5.026 1.777 -10.992 1.00 0.00 H new ATOM 0 HB3 GLN A 66 3.361 2.192 -11.350 1.00 0.00 H new ATOM 0 HG2 GLN A 66 5.554 2.969 -13.293 1.00 0.00 H new ATOM 0 HG3 GLN A 66 4.928 1.332 -13.286 1.00 0.00 H new ATOM 0 HE21 GLN A 66 2.693 0.910 -13.846 1.00 0.00 H new ATOM 0 HE22 GLN A 66 1.676 2.148 -14.591 1.00 0.00 H new ATOM 207 N ARG A 67 2.363 4.020 -10.284 1.00 0.00 N ATOM 208 CA ARG A 67 1.291 4.357 -9.403 1.00 0.00 C ATOM 209 C ARG A 67 0.079 3.626 -9.880 1.00 0.00 C ATOM 210 O ARG A 67 0.074 3.072 -10.982 1.00 0.00 O ATOM 211 CB ARG A 67 0.977 5.853 -9.381 1.00 0.00 C ATOM 212 CG ARG A 67 0.799 6.471 -10.771 1.00 0.00 C ATOM 213 CD ARG A 67 2.015 7.277 -11.238 1.00 0.00 C ATOM 214 NE ARG A 67 2.501 6.660 -12.507 1.00 0.00 N ATOM 215 CZ ARG A 67 3.454 7.273 -13.259 1.00 0.00 C ATOM 216 NH1 ARG A 67 3.844 8.533 -12.986 1.00 0.00 N ATOM 217 NH2 ARG A 67 3.952 6.647 -14.349 1.00 0.00 N ATOM 0 H ARG A 67 2.068 3.663 -11.193 1.00 0.00 H new ATOM 0 HA ARG A 67 1.583 4.079 -8.390 1.00 0.00 H new ATOM 0 HB2 ARG A 67 0.067 6.015 -8.803 1.00 0.00 H new ATOM 0 HB3 ARG A 67 1.781 6.375 -8.862 1.00 0.00 H new ATOM 0 HG2 ARG A 67 0.600 5.677 -11.491 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -0.077 7.120 -10.763 1.00 0.00 H new ATOM 0 HD2 ARG A 67 1.745 8.321 -11.398 1.00 0.00 H new ATOM 0 HD3 ARG A 67 2.798 7.263 -10.480 1.00 0.00 H new ATOM 0 HE ARG A 67 2.114 5.768 -12.814 1.00 0.00 H new ATOM 0 HH11 ARG A 67 3.423 9.040 -12.207 1.00 0.00 H new ATOM 0 HH12 ARG A 67 4.560 8.981 -13.558 1.00 0.00 H new ATOM 0 HH21 ARG A 67 3.613 5.719 -14.604 1.00 0.00 H new ATOM 0 HH22 ARG A 67 4.667 7.102 -14.916 1.00 0.00 H new ATOM 231 N THR A 68 -0.959 3.603 -9.025 1.00 0.00 N ATOM 232 CA THR A 68 -2.216 3.015 -9.385 1.00 0.00 C ATOM 233 C THR A 68 -3.121 3.221 -8.215 1.00 0.00 C ATOM 234 O THR A 68 -2.660 3.576 -7.132 1.00 0.00 O ATOM 235 CB THR A 68 -2.158 1.515 -9.729 1.00 0.00 C ATOM 236 OG1 THR A 68 -3.419 1.067 -10.208 1.00 0.00 O ATOM 237 CG2 THR A 68 -1.691 0.621 -8.571 1.00 0.00 C ATOM 0 H THR A 68 -0.930 3.992 -8.082 1.00 0.00 H new ATOM 0 HA THR A 68 -2.564 3.495 -10.300 1.00 0.00 H new ATOM 0 HB THR A 68 -1.402 1.422 -10.509 1.00 0.00 H new ATOM 0 HG1 THR A 68 -3.367 0.113 -10.424 1.00 0.00 H new ATOM 0 HG21 THR A 68 -1.678 -0.419 -8.897 1.00 0.00 H new ATOM 0 HG22 THR A 68 -0.688 0.917 -8.264 1.00 0.00 H new ATOM 0 HG23 THR A 68 -2.375 0.729 -7.729 1.00 0.00 H new ATOM 245 N VAL A 69 -4.438 3.022 -8.416 1.00 0.00 N ATOM 246 CA VAL A 69 -5.364 3.178 -7.334 1.00 0.00 C ATOM 247 C VAL A 69 -5.879 1.822 -6.994 1.00 0.00 C ATOM 248 O VAL A 69 -6.086 0.980 -7.868 1.00 0.00 O ATOM 249 CB VAL A 69 -6.537 4.120 -7.637 1.00 0.00 C ATOM 250 CG1 VAL A 69 -7.168 3.893 -9.017 1.00 0.00 C ATOM 251 CG2 VAL A 69 -7.608 4.170 -6.528 1.00 0.00 C ATOM 0 H VAL A 69 -4.856 2.758 -9.308 1.00 0.00 H new ATOM 0 HA VAL A 69 -4.832 3.643 -6.503 1.00 0.00 H new ATOM 0 HB VAL A 69 -6.075 5.107 -7.660 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -7.990 4.594 -9.161 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -6.417 4.051 -9.791 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -7.546 2.873 -9.081 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -8.402 4.858 -6.819 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -8.027 3.174 -6.381 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -7.154 4.513 -5.599 1.00 0.00 H new ATOM 261 N VAL A 70 -6.098 1.592 -5.690 1.00 0.00 N ATOM 262 CA VAL A 70 -6.560 0.317 -5.234 1.00 0.00 C ATOM 263 C VAL A 70 -7.728 0.565 -4.339 1.00 0.00 C ATOM 264 O VAL A 70 -7.914 1.670 -3.825 1.00 0.00 O ATOM 265 CB VAL A 70 -5.493 -0.476 -4.466 1.00 0.00 C ATOM 266 CG1 VAL A 70 -4.299 -0.875 -5.338 1.00 0.00 C ATOM 267 CG2 VAL A 70 -4.959 0.243 -3.215 1.00 0.00 C ATOM 0 H VAL A 70 -5.957 2.283 -4.953 1.00 0.00 H new ATOM 0 HA VAL A 70 -6.822 -0.285 -6.104 1.00 0.00 H new ATOM 0 HB VAL A 70 -6.027 -1.371 -4.148 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -3.580 -1.433 -4.738 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -4.643 -1.498 -6.163 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -3.822 0.021 -5.735 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -4.210 -0.382 -2.728 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -4.507 1.192 -3.505 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -5.781 0.429 -2.524 1.00 0.00 H new ATOM 277 N ASN A 71 -8.546 -0.482 -4.132 1.00 0.00 N ATOM 278 CA ASN A 71 -9.702 -0.358 -3.295 1.00 0.00 C ATOM 279 C ASN A 71 -9.621 -1.459 -2.288 1.00 0.00 C ATOM 280 O ASN A 71 -9.242 -2.584 -2.619 1.00 0.00 O ATOM 281 CB ASN A 71 -11.018 -0.548 -4.069 1.00 0.00 C ATOM 282 CG ASN A 71 -11.281 0.706 -4.894 1.00 0.00 C ATOM 283 OD1 ASN A 71 -12.075 1.562 -4.508 1.00 0.00 O ATOM 284 ND2 ASN A 71 -10.649 0.794 -6.095 1.00 0.00 N ATOM 0 H ASN A 71 -8.411 -1.407 -4.539 1.00 0.00 H new ATOM 0 HA ASN A 71 -9.708 0.641 -2.859 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -10.953 -1.421 -4.718 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -11.842 -0.726 -3.377 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -10.828 1.589 -6.708 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -9.996 0.065 -6.382 1.00 0.00 H new ATOM 291 N VAL A 72 -9.990 -1.154 -1.028 1.00 0.00 N ATOM 292 CA VAL A 72 -10.006 -2.165 -0.010 1.00 0.00 C ATOM 293 C VAL A 72 -11.387 -2.751 0.003 1.00 0.00 C ATOM 294 O VAL A 72 -12.386 -2.031 -0.012 1.00 0.00 O ATOM 295 CB VAL A 72 -9.610 -1.642 1.383 1.00 0.00 C ATOM 296 CG1 VAL A 72 -10.625 -0.677 2.000 1.00 0.00 C ATOM 297 CG2 VAL A 72 -9.296 -2.747 2.401 1.00 0.00 C ATOM 0 H VAL A 72 -10.273 -0.225 -0.717 1.00 0.00 H new ATOM 0 HA VAL A 72 -9.254 -2.918 -0.245 1.00 0.00 H new ATOM 0 HB VAL A 72 -8.692 -1.092 1.176 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -10.272 -0.355 2.980 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -10.741 0.192 1.352 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -11.586 -1.180 2.108 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -9.026 -2.296 3.356 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -10.174 -3.380 2.534 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -8.465 -3.351 2.037 1.00 0.00 H new ATOM 307 N ARG A 73 -11.474 -4.093 -0.070 1.00 0.00 N ATOM 308 CA ARG A 73 -12.748 -4.728 -0.247 1.00 0.00 C ATOM 309 C ARG A 73 -13.003 -5.567 0.960 1.00 0.00 C ATOM 310 O ARG A 73 -12.118 -6.298 1.400 1.00 0.00 O ATOM 311 CB ARG A 73 -12.779 -5.655 -1.468 1.00 0.00 C ATOM 312 CG ARG A 73 -12.577 -4.924 -2.800 1.00 0.00 C ATOM 313 CD ARG A 73 -13.751 -4.019 -3.182 1.00 0.00 C ATOM 314 NE ARG A 73 -13.526 -2.691 -2.536 1.00 0.00 N ATOM 315 CZ ARG A 73 -14.330 -1.632 -2.824 1.00 0.00 C ATOM 316 NH1 ARG A 73 -15.228 -1.700 -3.827 1.00 0.00 N ATOM 317 NH2 ARG A 73 -14.167 -0.467 -2.161 1.00 0.00 N ATOM 0 H ARG A 73 -10.679 -4.730 -0.008 1.00 0.00 H new ATOM 0 HA ARG A 73 -13.497 -3.950 -0.393 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -12.003 -6.413 -1.358 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -13.735 -6.178 -1.492 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -11.669 -4.324 -2.742 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -12.423 -5.659 -3.590 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -13.816 -3.912 -4.265 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -14.693 -4.453 -2.848 1.00 0.00 H new ATOM 0 HE ARG A 73 -12.761 -2.577 -1.871 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -15.311 -2.553 -4.380 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -15.825 -0.899 -4.032 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -13.443 -0.383 -1.447 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -14.768 0.329 -2.374 1.00 0.00 H new ATOM 331 N ASN A 74 -14.248 -5.484 1.478 1.00 0.00 N ATOM 332 CA ASN A 74 -14.670 -6.289 2.589 1.00 0.00 C ATOM 333 C ASN A 74 -13.906 -5.869 3.803 1.00 0.00 C ATOM 334 O ASN A 74 -14.405 -5.127 4.646 1.00 0.00 O ATOM 335 CB ASN A 74 -14.625 -7.810 2.362 1.00 0.00 C ATOM 336 CG ASN A 74 -15.418 -8.131 1.099 1.00 0.00 C ATOM 337 OD1 ASN A 74 -16.207 -7.321 0.613 1.00 0.00 O ATOM 338 ND2 ASN A 74 -15.227 -9.364 0.559 1.00 0.00 N ATOM 0 H ASN A 74 -14.967 -4.853 1.123 1.00 0.00 H new ATOM 0 HA ASN A 74 -15.735 -6.102 2.728 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -13.594 -8.148 2.259 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -15.048 -8.334 3.219 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -15.746 -9.642 -0.274 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -14.565 -10.011 0.987 1.00 0.00 H new ATOM 345 N GLY A 75 -12.685 -6.392 3.918 1.00 0.00 N ATOM 346 CA GLY A 75 -11.766 -5.930 4.914 1.00 0.00 C ATOM 347 C GLY A 75 -10.415 -6.400 4.498 1.00 0.00 C ATOM 348 O GLY A 75 -9.793 -7.212 5.180 1.00 0.00 O ATOM 0 H GLY A 75 -12.325 -7.138 3.323 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -11.791 -4.843 4.990 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -12.028 -6.325 5.896 1.00 0.00 H new ATOM 352 N MET A 76 -9.936 -5.900 3.339 1.00 0.00 N ATOM 353 CA MET A 76 -8.690 -6.362 2.808 1.00 0.00 C ATOM 354 C MET A 76 -7.593 -5.851 3.680 1.00 0.00 C ATOM 355 O MET A 76 -7.665 -4.757 4.238 1.00 0.00 O ATOM 356 CB MET A 76 -8.412 -5.896 1.374 1.00 0.00 C ATOM 357 CG MET A 76 -8.732 -6.960 0.326 1.00 0.00 C ATOM 358 SD MET A 76 -9.018 -6.167 -1.288 1.00 0.00 S ATOM 359 CE MET A 76 -9.257 -7.651 -2.314 1.00 0.00 C ATOM 0 H MET A 76 -10.404 -5.187 2.779 1.00 0.00 H new ATOM 0 HA MET A 76 -8.742 -7.451 2.785 1.00 0.00 H new ATOM 0 HB2 MET A 76 -9.001 -5.003 1.168 1.00 0.00 H new ATOM 0 HB3 MET A 76 -7.363 -5.613 1.287 1.00 0.00 H new ATOM 0 HG2 MET A 76 -7.909 -7.670 0.252 1.00 0.00 H new ATOM 0 HG3 MET A 76 -9.615 -7.525 0.626 1.00 0.00 H new ATOM 0 HE1 MET A 76 -9.446 -7.354 -3.346 1.00 0.00 H new ATOM 0 HE2 MET A 76 -8.361 -8.270 -2.273 1.00 0.00 H new ATOM 0 HE3 MET A 76 -10.108 -8.220 -1.939 1.00 0.00 H new ATOM 369 N SER A 77 -6.514 -6.641 3.749 1.00 0.00 N ATOM 370 CA SER A 77 -5.362 -6.258 4.505 1.00 0.00 C ATOM 371 C SER A 77 -4.310 -5.923 3.529 1.00 0.00 C ATOM 372 O SER A 77 -4.288 -6.548 2.490 1.00 0.00 O ATOM 373 CB SER A 77 -4.781 -7.443 5.250 1.00 0.00 C ATOM 374 OG SER A 77 -5.728 -7.952 6.178 1.00 0.00 O ATOM 0 H SER A 77 -6.435 -7.545 3.283 1.00 0.00 H new ATOM 0 HA SER A 77 -5.646 -5.456 5.187 1.00 0.00 H new ATOM 0 HB2 SER A 77 -4.498 -8.223 4.543 1.00 0.00 H new ATOM 0 HB3 SER A 77 -3.873 -7.143 5.773 1.00 0.00 H new ATOM 0 HG SER A 77 -5.342 -8.718 6.652 1.00 0.00 H new ATOM 380 N LEU A 78 -3.286 -5.184 4.001 1.00 0.00 N ATOM 381 CA LEU A 78 -2.224 -4.692 3.164 1.00 0.00 C ATOM 382 C LEU A 78 -1.808 -5.761 2.192 1.00 0.00 C ATOM 383 O LEU A 78 -1.857 -5.551 0.990 1.00 0.00 O ATOM 384 CB LEU A 78 -1.021 -4.323 4.027 1.00 0.00 C ATOM 385 CG LEU A 78 -0.817 -2.819 4.176 1.00 0.00 C ATOM 386 CD1 LEU A 78 -0.547 -2.123 2.888 1.00 0.00 C ATOM 387 CD2 LEU A 78 -2.079 -2.052 4.524 1.00 0.00 C ATOM 0 H LEU A 78 -3.191 -4.922 4.982 1.00 0.00 H new ATOM 0 HA LEU A 78 -2.578 -3.815 2.622 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -1.144 -4.765 5.016 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -0.123 -4.762 3.592 1.00 0.00 H new ATOM 0 HG LEU A 78 -0.021 -2.806 4.921 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -0.413 -1.057 3.072 1.00 0.00 H new ATOM 0 HD12 LEU A 78 0.358 -2.530 2.437 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -1.388 -2.271 2.211 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -1.847 -0.991 4.612 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -2.821 -2.198 3.739 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -2.476 -2.416 5.471 1.00 0.00 H new ATOM 399 N HIS A 79 -1.447 -6.948 2.711 1.00 0.00 N ATOM 400 CA HIS A 79 -0.915 -8.003 1.892 1.00 0.00 C ATOM 401 C HIS A 79 -1.936 -8.354 0.844 1.00 0.00 C ATOM 402 O HIS A 79 -1.682 -8.176 -0.331 1.00 0.00 O ATOM 403 CB HIS A 79 -0.631 -9.266 2.717 1.00 0.00 C ATOM 404 CG HIS A 79 0.828 -9.498 2.978 1.00 0.00 C ATOM 405 ND1 HIS A 79 1.261 -10.285 4.009 1.00 0.00 N ATOM 406 CD2 HIS A 79 1.928 -9.147 2.272 1.00 0.00 C ATOM 407 CE1 HIS A 79 2.582 -10.344 3.966 1.00 0.00 C ATOM 408 NE2 HIS A 79 3.009 -9.706 2.890 1.00 0.00 N ATOM 0 H HIS A 79 -1.522 -7.182 3.701 1.00 0.00 H new ATOM 0 HA HIS A 79 0.018 -7.655 1.448 1.00 0.00 H new ATOM 0 HB2 HIS A 79 -1.155 -9.193 3.670 1.00 0.00 H new ATOM 0 HB3 HIS A 79 -1.040 -10.131 2.194 1.00 0.00 H new ATOM 0 HD2 HIS A 79 1.947 -8.536 1.382 1.00 0.00 H new ATOM 0 HE1 HIS A 79 3.211 -10.835 4.694 1.00 0.00 H new ATOM 0 HE2 HIS A 79 3.977 -9.642 2.576 1.00 0.00 H new ATOM 417 N ASP A 80 -3.152 -8.757 1.268 1.00 0.00 N ATOM 418 CA ASP A 80 -4.131 -9.272 0.347 1.00 0.00 C ATOM 419 C ASP A 80 -4.675 -8.122 -0.463 1.00 0.00 C ATOM 420 O ASP A 80 -5.270 -8.323 -1.519 1.00 0.00 O ATOM 421 CB ASP A 80 -5.321 -9.889 1.097 1.00 0.00 C ATOM 422 CG ASP A 80 -4.830 -11.134 1.821 1.00 0.00 C ATOM 423 OD1 ASP A 80 -4.109 -10.973 2.843 1.00 0.00 O ATOM 424 OD2 ASP A 80 -5.180 -12.254 1.368 1.00 0.00 O ATOM 0 H ASP A 80 -3.458 -8.728 2.241 1.00 0.00 H new ATOM 0 HA ASP A 80 -3.652 -10.028 -0.275 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -5.735 -9.174 1.808 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -6.119 -10.144 0.400 1.00 0.00 H new ATOM 429 N CYS A 81 -4.472 -6.885 0.025 1.00 0.00 N ATOM 430 CA CYS A 81 -5.075 -5.735 -0.579 1.00 0.00 C ATOM 431 C CYS A 81 -4.109 -5.201 -1.608 1.00 0.00 C ATOM 432 O CYS A 81 -4.482 -4.441 -2.500 1.00 0.00 O ATOM 433 CB CYS A 81 -5.331 -4.662 0.495 1.00 0.00 C ATOM 434 SG CYS A 81 -6.539 -3.442 -0.118 1.00 0.00 S ATOM 0 H CYS A 81 -3.891 -6.680 0.838 1.00 0.00 H new ATOM 0 HA CYS A 81 -6.025 -5.998 -1.044 1.00 0.00 H new ATOM 0 HB2 CYS A 81 -5.704 -5.130 1.406 1.00 0.00 H new ATOM 0 HB3 CYS A 81 -4.397 -4.163 0.752 1.00 0.00 H new ATOM 0 HG CYS A 81 -7.507 -4.059 -0.728 1.00 0.00 H new ATOM 440 N LEU A 82 -2.839 -5.632 -1.511 1.00 0.00 N ATOM 441 CA LEU A 82 -1.804 -5.133 -2.375 1.00 0.00 C ATOM 442 C LEU A 82 -1.459 -6.224 -3.306 1.00 0.00 C ATOM 443 O LEU A 82 -1.136 -5.999 -4.461 1.00 0.00 O ATOM 444 CB LEU A 82 -0.532 -4.917 -1.568 1.00 0.00 C ATOM 445 CG LEU A 82 -0.518 -3.607 -0.789 1.00 0.00 C ATOM 446 CD1 LEU A 82 0.486 -2.591 -1.337 1.00 0.00 C ATOM 447 CD2 LEU A 82 -1.885 -2.917 -0.706 1.00 0.00 C ATOM 0 H LEU A 82 -2.524 -6.327 -0.834 1.00 0.00 H new ATOM 0 HA LEU A 82 -2.143 -4.217 -2.860 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -0.409 -5.746 -0.871 1.00 0.00 H new ATOM 0 HB3 LEU A 82 0.324 -4.938 -2.242 1.00 0.00 H new ATOM 0 HG LEU A 82 -0.218 -3.919 0.211 1.00 0.00 H new ATOM 0 HD11 LEU A 82 0.446 -1.681 -0.738 1.00 0.00 H new ATOM 0 HD12 LEU A 82 1.491 -3.011 -1.292 1.00 0.00 H new ATOM 0 HD13 LEU A 82 0.237 -2.356 -2.372 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -1.792 -1.992 -0.136 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -2.239 -2.690 -1.711 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -2.597 -3.578 -0.211 1.00 0.00 H new ATOM 459 N MET A 83 -1.483 -7.447 -2.767 1.00 0.00 N ATOM 460 CA MET A 83 -1.279 -8.640 -3.533 1.00 0.00 C ATOM 461 C MET A 83 -2.454 -8.791 -4.455 1.00 0.00 C ATOM 462 O MET A 83 -2.565 -9.761 -5.188 1.00 0.00 O ATOM 463 CB MET A 83 -1.344 -9.762 -2.502 1.00 0.00 C ATOM 464 CG MET A 83 -1.492 -11.154 -3.098 1.00 0.00 C ATOM 465 SD MET A 83 -0.622 -12.362 -2.049 1.00 0.00 S ATOM 466 CE MET A 83 -0.844 -13.856 -3.065 1.00 0.00 C ATOM 0 H MET A 83 -1.648 -7.618 -1.775 1.00 0.00 H new ATOM 0 HA MET A 83 -0.351 -8.637 -4.105 1.00 0.00 H new ATOM 0 HB2 MET A 83 -0.439 -9.734 -1.895 1.00 0.00 H new ATOM 0 HB3 MET A 83 -2.183 -9.575 -1.832 1.00 0.00 H new ATOM 0 HG2 MET A 83 -2.547 -11.417 -3.175 1.00 0.00 H new ATOM 0 HG3 MET A 83 -1.084 -11.174 -4.108 1.00 0.00 H new ATOM 0 HE1 MET A 83 -0.370 -14.705 -2.572 1.00 0.00 H new ATOM 0 HE2 MET A 83 -1.908 -14.057 -3.189 1.00 0.00 H new ATOM 0 HE3 MET A 83 -0.387 -13.702 -4.043 1.00 0.00 H new ATOM 476 N LYS A 84 -3.407 -7.860 -4.335 1.00 0.00 N ATOM 477 CA LYS A 84 -4.502 -7.779 -5.237 1.00 0.00 C ATOM 478 C LYS A 84 -4.139 -6.766 -6.294 1.00 0.00 C ATOM 479 O LYS A 84 -4.462 -6.939 -7.464 1.00 0.00 O ATOM 480 CB LYS A 84 -5.674 -7.338 -4.371 1.00 0.00 C ATOM 481 CG LYS A 84 -6.662 -6.427 -5.074 1.00 0.00 C ATOM 482 CD LYS A 84 -6.343 -4.940 -4.922 1.00 0.00 C ATOM 483 CE LYS A 84 -7.115 -4.052 -5.897 1.00 0.00 C ATOM 484 NZ LYS A 84 -8.513 -3.956 -5.482 1.00 0.00 N ATOM 0 H LYS A 84 -3.418 -7.152 -3.600 1.00 0.00 H new ATOM 0 HA LYS A 84 -4.750 -8.707 -5.753 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -6.202 -8.223 -4.017 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -5.287 -6.825 -3.491 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -6.683 -6.678 -6.134 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -7.661 -6.617 -4.681 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -6.569 -4.630 -3.902 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -5.274 -4.788 -5.072 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -6.667 -3.059 -5.930 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -7.053 -4.463 -6.904 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -9.043 -3.393 -6.177 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -8.924 -4.910 -5.423 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -8.568 -3.497 -4.550 1.00 0.00 H new ATOM 498 N ALA A 85 -3.382 -5.722 -5.903 1.00 0.00 N ATOM 499 CA ALA A 85 -3.018 -4.674 -6.826 1.00 0.00 C ATOM 500 C ALA A 85 -1.884 -5.161 -7.672 1.00 0.00 C ATOM 501 O ALA A 85 -1.899 -5.025 -8.886 1.00 0.00 O ATOM 502 CB ALA A 85 -2.450 -3.565 -5.913 1.00 0.00 C ATOM 0 H ALA A 85 -3.022 -5.599 -4.957 1.00 0.00 H new ATOM 0 HA ALA A 85 -3.848 -4.357 -7.458 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -2.141 -2.715 -6.522 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -3.217 -3.246 -5.207 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -1.590 -3.950 -5.365 1.00 0.00 H new ATOM 508 N LEU A 86 -0.849 -5.710 -7.017 1.00 0.00 N ATOM 509 CA LEU A 86 0.396 -5.999 -7.668 1.00 0.00 C ATOM 510 C LEU A 86 0.231 -7.276 -8.378 1.00 0.00 C ATOM 511 O LEU A 86 0.973 -7.573 -9.296 1.00 0.00 O ATOM 512 CB LEU A 86 1.436 -6.221 -6.592 1.00 0.00 C ATOM 513 CG LEU A 86 1.539 -5.029 -5.646 1.00 0.00 C ATOM 514 CD1 LEU A 86 1.722 -5.411 -4.206 1.00 0.00 C ATOM 515 CD2 LEU A 86 2.350 -3.873 -6.215 1.00 0.00 C ATOM 0 H LEU A 86 -0.871 -5.957 -6.028 1.00 0.00 H new ATOM 0 HA LEU A 86 0.686 -5.194 -8.343 1.00 0.00 H new ATOM 0 HB2 LEU A 86 1.184 -7.116 -6.023 1.00 0.00 H new ATOM 0 HB3 LEU A 86 2.406 -6.401 -7.056 1.00 0.00 H new ATOM 0 HG LEU A 86 0.554 -4.565 -5.588 1.00 0.00 H new ATOM 0 HD11 LEU A 86 1.787 -4.510 -3.596 1.00 0.00 H new ATOM 0 HD12 LEU A 86 0.873 -6.011 -3.878 1.00 0.00 H new ATOM 0 HD13 LEU A 86 2.639 -5.990 -4.097 1.00 0.00 H new ATOM 0 HD21 LEU A 86 2.382 -3.060 -5.490 1.00 0.00 H new ATOM 0 HD22 LEU A 86 3.365 -4.210 -6.427 1.00 0.00 H new ATOM 0 HD23 LEU A 86 1.885 -3.520 -7.135 1.00 0.00 H new ATOM 527 N LYS A 87 -0.746 -8.063 -7.917 1.00 0.00 N ATOM 528 CA LYS A 87 -1.141 -9.261 -8.607 1.00 0.00 C ATOM 529 C LYS A 87 -1.480 -8.891 -10.024 1.00 0.00 C ATOM 530 O LYS A 87 -1.050 -9.551 -10.968 1.00 0.00 O ATOM 531 CB LYS A 87 -2.450 -9.786 -8.018 1.00 0.00 C ATOM 532 CG LYS A 87 -2.421 -11.274 -7.701 1.00 0.00 C ATOM 533 CD LYS A 87 -3.036 -12.137 -8.806 1.00 0.00 C ATOM 534 CE LYS A 87 -3.051 -13.633 -8.479 1.00 0.00 C ATOM 535 NZ LYS A 87 -4.003 -13.902 -7.404 1.00 0.00 N ATOM 0 H LYS A 87 -1.271 -7.877 -7.063 1.00 0.00 H new ATOM 0 HA LYS A 87 -0.337 -9.993 -8.530 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -2.676 -9.233 -7.106 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -3.260 -9.588 -8.720 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -1.389 -11.584 -7.538 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -2.958 -11.451 -6.769 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -4.057 -11.804 -8.990 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -2.479 -11.981 -9.730 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -3.322 -14.205 -9.367 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -2.054 -13.958 -8.182 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -4.107 -14.930 -7.281 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -3.655 -13.481 -6.519 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -4.926 -13.487 -7.646 1.00 0.00 H new ATOM 549 N VAL A 88 -2.283 -7.820 -10.155 1.00 0.00 N ATOM 550 CA VAL A 88 -2.756 -7.347 -11.430 1.00 0.00 C ATOM 551 C VAL A 88 -1.561 -6.953 -12.257 1.00 0.00 C ATOM 552 O VAL A 88 -1.556 -7.104 -13.477 1.00 0.00 O ATOM 553 CB VAL A 88 -3.603 -6.084 -11.211 1.00 0.00 C ATOM 554 CG1 VAL A 88 -4.043 -5.382 -12.496 1.00 0.00 C ATOM 555 CG2 VAL A 88 -4.792 -6.294 -10.278 1.00 0.00 C ATOM 0 H VAL A 88 -2.613 -7.268 -9.363 1.00 0.00 H new ATOM 0 HA VAL A 88 -3.343 -8.123 -11.922 1.00 0.00 H new ATOM 0 HB VAL A 88 -2.908 -5.410 -10.710 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -4.635 -4.502 -12.245 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -3.164 -5.078 -13.064 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -4.644 -6.065 -13.096 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -5.341 -5.359 -10.173 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -5.450 -7.057 -10.694 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -4.435 -6.617 -9.300 1.00 0.00 H new ATOM 565 N ARG A 89 -0.521 -6.425 -11.588 1.00 0.00 N ATOM 566 CA ARG A 89 0.594 -5.848 -12.278 1.00 0.00 C ATOM 567 C ARG A 89 1.551 -6.952 -12.618 1.00 0.00 C ATOM 568 O ARG A 89 2.196 -6.929 -13.665 1.00 0.00 O ATOM 569 CB ARG A 89 1.255 -4.847 -11.341 1.00 0.00 C ATOM 570 CG ARG A 89 0.248 -3.867 -10.737 1.00 0.00 C ATOM 571 CD ARG A 89 0.738 -2.421 -10.713 1.00 0.00 C ATOM 572 NE ARG A 89 0.138 -1.726 -11.890 1.00 0.00 N ATOM 573 CZ ARG A 89 0.190 -0.369 -11.995 1.00 0.00 C ATOM 574 NH1 ARG A 89 0.752 0.380 -11.027 1.00 0.00 N ATOM 575 NH2 ARG A 89 -0.339 0.245 -13.075 1.00 0.00 N ATOM 0 H ARG A 89 -0.450 -6.397 -10.571 1.00 0.00 H new ATOM 0 HA ARG A 89 0.285 -5.342 -13.193 1.00 0.00 H new ATOM 0 HB2 ARG A 89 1.763 -5.383 -10.539 1.00 0.00 H new ATOM 0 HB3 ARG A 89 2.018 -4.291 -11.886 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -0.681 -3.917 -11.306 1.00 0.00 H new ATOM 0 HG3 ARG A 89 0.016 -4.180 -9.719 1.00 0.00 H new ATOM 0 HD2 ARG A 89 0.441 -1.931 -9.786 1.00 0.00 H new ATOM 0 HD3 ARG A 89 1.826 -2.384 -10.759 1.00 0.00 H new ATOM 0 HE ARG A 89 -0.315 -2.272 -12.622 1.00 0.00 H new ATOM 0 HH11 ARG A 89 1.147 -0.068 -10.200 1.00 0.00 H new ATOM 0 HH12 ARG A 89 0.783 1.395 -11.121 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -0.777 -0.307 -13.812 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -0.300 1.261 -13.154 1.00 0.00 H new ATOM 589 N GLY A 90 1.676 -7.931 -11.707 1.00 0.00 N ATOM 590 CA GLY A 90 2.515 -9.073 -11.947 1.00 0.00 C ATOM 591 C GLY A 90 3.655 -9.008 -10.980 1.00 0.00 C ATOM 592 O GLY A 90 4.714 -9.587 -11.216 1.00 0.00 O ATOM 0 H GLY A 90 1.200 -7.937 -10.805 1.00 0.00 H new ATOM 0 HA2 GLY A 90 1.952 -9.997 -11.814 1.00 0.00 H new ATOM 0 HA3 GLY A 90 2.883 -9.069 -12.973 1.00 0.00 H new ATOM 596 N LEU A 91 3.454 -8.300 -9.850 1.00 0.00 N ATOM 597 CA LEU A 91 4.502 -8.138 -8.885 1.00 0.00 C ATOM 598 C LEU A 91 4.086 -8.890 -7.656 1.00 0.00 C ATOM 599 O LEU A 91 2.947 -9.340 -7.540 1.00 0.00 O ATOM 600 CB LEU A 91 4.687 -6.665 -8.479 1.00 0.00 C ATOM 601 CG LEU A 91 5.464 -5.816 -9.495 1.00 0.00 C ATOM 602 CD1 LEU A 91 6.584 -4.988 -8.854 1.00 0.00 C ATOM 603 CD2 LEU A 91 6.029 -6.614 -10.676 1.00 0.00 C ATOM 0 H LEU A 91 2.575 -7.844 -9.606 1.00 0.00 H new ATOM 0 HA LEU A 91 5.436 -8.498 -9.316 1.00 0.00 H new ATOM 0 HB2 LEU A 91 3.705 -6.217 -8.327 1.00 0.00 H new ATOM 0 HB3 LEU A 91 5.206 -6.628 -7.521 1.00 0.00 H new ATOM 0 HG LEU A 91 4.709 -5.136 -9.889 1.00 0.00 H new ATOM 0 HD11 LEU A 91 7.095 -4.410 -9.624 1.00 0.00 H new ATOM 0 HD12 LEU A 91 6.158 -4.310 -8.115 1.00 0.00 H new ATOM 0 HD13 LEU A 91 7.296 -5.654 -8.367 1.00 0.00 H new ATOM 0 HD21 LEU A 91 6.563 -5.942 -11.347 1.00 0.00 H new ATOM 0 HD22 LEU A 91 6.714 -7.377 -10.305 1.00 0.00 H new ATOM 0 HD23 LEU A 91 5.212 -7.092 -11.216 1.00 0.00 H new ATOM 615 N GLN A 92 5.008 -9.004 -6.677 1.00 0.00 N ATOM 616 CA GLN A 92 4.693 -9.685 -5.455 1.00 0.00 C ATOM 617 C GLN A 92 5.005 -8.740 -4.323 1.00 0.00 C ATOM 618 O GLN A 92 5.844 -7.849 -4.453 1.00 0.00 O ATOM 619 CB GLN A 92 5.451 -11.011 -5.277 1.00 0.00 C ATOM 620 CG GLN A 92 6.955 -10.835 -5.010 1.00 0.00 C ATOM 621 CD GLN A 92 7.684 -12.088 -5.487 1.00 0.00 C ATOM 622 OE1 GLN A 92 8.057 -12.198 -6.656 1.00 0.00 O ATOM 623 NE2 GLN A 92 7.964 -13.056 -4.562 1.00 0.00 N ATOM 0 H GLN A 92 5.956 -8.631 -6.730 1.00 0.00 H new ATOM 0 HA GLN A 92 3.638 -9.960 -5.472 1.00 0.00 H new ATOM 0 HB2 GLN A 92 5.007 -11.564 -4.450 1.00 0.00 H new ATOM 0 HB3 GLN A 92 5.319 -11.617 -6.173 1.00 0.00 H new ATOM 0 HG2 GLN A 92 7.332 -9.956 -5.533 1.00 0.00 H new ATOM 0 HG3 GLN A 92 7.134 -10.675 -3.947 1.00 0.00 H new ATOM 0 HE21 GLN A 92 7.647 -12.948 -3.599 1.00 0.00 H new ATOM 0 HE22 GLN A 92 8.490 -13.886 -4.836 1.00 0.00 H new ATOM 632 N PRO A 93 4.357 -9.017 -3.198 1.00 0.00 N ATOM 633 CA PRO A 93 4.558 -7.976 -2.208 1.00 0.00 C ATOM 634 C PRO A 93 5.355 -8.630 -1.106 1.00 0.00 C ATOM 635 O PRO A 93 5.710 -7.980 -0.126 1.00 0.00 O ATOM 636 CB PRO A 93 3.182 -7.699 -1.648 1.00 0.00 C ATOM 637 CG PRO A 93 2.337 -8.926 -1.960 1.00 0.00 C ATOM 638 CD PRO A 93 3.035 -9.620 -3.122 1.00 0.00 C ATOM 0 HA PRO A 93 5.041 -7.079 -2.596 1.00 0.00 H new ATOM 0 HB2 PRO A 93 3.228 -7.522 -0.573 1.00 0.00 H new ATOM 0 HB3 PRO A 93 2.751 -6.805 -2.100 1.00 0.00 H new ATOM 0 HG2 PRO A 93 2.268 -9.585 -1.094 1.00 0.00 H new ATOM 0 HG3 PRO A 93 1.319 -8.643 -2.227 1.00 0.00 H new ATOM 0 HD2 PRO A 93 3.103 -10.695 -2.953 1.00 0.00 H new ATOM 0 HD3 PRO A 93 2.485 -9.477 -4.052 1.00 0.00 H new ATOM 646 N GLU A 94 5.707 -9.923 -1.258 1.00 0.00 N ATOM 647 CA GLU A 94 6.216 -10.687 -0.149 1.00 0.00 C ATOM 648 C GLU A 94 7.576 -10.157 0.224 1.00 0.00 C ATOM 649 O GLU A 94 8.005 -10.282 1.369 1.00 0.00 O ATOM 650 CB GLU A 94 6.387 -12.184 -0.446 1.00 0.00 C ATOM 651 CG GLU A 94 5.068 -12.918 -0.725 1.00 0.00 C ATOM 652 CD GLU A 94 4.951 -13.148 -2.227 1.00 0.00 C ATOM 653 OE1 GLU A 94 5.960 -13.585 -2.848 1.00 0.00 O ATOM 654 OE2 GLU A 94 3.860 -12.858 -2.783 1.00 0.00 O ATOM 0 H GLU A 94 5.642 -10.437 -2.136 1.00 0.00 H new ATOM 0 HA GLU A 94 5.480 -10.584 0.649 1.00 0.00 H new ATOM 0 HB2 GLU A 94 7.045 -12.301 -1.307 1.00 0.00 H new ATOM 0 HB3 GLU A 94 6.883 -12.658 0.401 1.00 0.00 H new ATOM 0 HG2 GLU A 94 5.044 -13.869 -0.193 1.00 0.00 H new ATOM 0 HG3 GLU A 94 4.224 -12.330 -0.365 1.00 0.00 H new ATOM 661 N CYS A 95 8.296 -9.562 -0.746 1.00 0.00 N ATOM 662 CA CYS A 95 9.670 -9.217 -0.516 1.00 0.00 C ATOM 663 C CYS A 95 9.763 -7.723 -0.451 1.00 0.00 C ATOM 664 O CYS A 95 10.830 -7.144 -0.659 1.00 0.00 O ATOM 665 CB CYS A 95 10.563 -9.672 -1.673 1.00 0.00 C ATOM 666 SG CYS A 95 10.629 -11.492 -1.717 1.00 0.00 S ATOM 0 H CYS A 95 7.939 -9.323 -1.671 1.00 0.00 H new ATOM 0 HA CYS A 95 9.999 -9.701 0.404 1.00 0.00 H new ATOM 0 HB2 CYS A 95 10.175 -9.289 -2.617 1.00 0.00 H new ATOM 0 HB3 CYS A 95 11.567 -9.265 -1.553 1.00 0.00 H new ATOM 0 HG CYS A 95 11.386 -11.875 -2.702 1.00 0.00 H new ATOM 672 N CYS A 96 8.649 -7.052 -0.111 1.00 0.00 N ATOM 673 CA CYS A 96 8.625 -5.622 -0.172 1.00 0.00 C ATOM 674 C CYS A 96 8.084 -5.112 1.132 1.00 0.00 C ATOM 675 O CYS A 96 7.575 -5.875 1.952 1.00 0.00 O ATOM 676 CB CYS A 96 7.698 -5.116 -1.280 1.00 0.00 C ATOM 677 SG CYS A 96 8.238 -5.777 -2.889 1.00 0.00 S ATOM 0 H CYS A 96 7.781 -7.487 0.200 1.00 0.00 H new ATOM 0 HA CYS A 96 9.638 -5.271 -0.372 1.00 0.00 H new ATOM 0 HB2 CYS A 96 6.672 -5.423 -1.077 1.00 0.00 H new ATOM 0 HB3 CYS A 96 7.706 -4.026 -1.303 1.00 0.00 H new ATOM 0 HG CYS A 96 7.300 -6.526 -3.388 1.00 0.00 H new ATOM 683 N ALA A 97 8.220 -3.787 1.344 1.00 0.00 N ATOM 684 CA ALA A 97 7.624 -3.139 2.478 1.00 0.00 C ATOM 685 C ALA A 97 6.709 -2.095 1.934 1.00 0.00 C ATOM 686 O ALA A 97 7.046 -1.394 0.983 1.00 0.00 O ATOM 687 CB ALA A 97 8.576 -2.429 3.463 1.00 0.00 C ATOM 0 H ALA A 97 8.743 -3.163 0.730 1.00 0.00 H new ATOM 0 HA ALA A 97 7.155 -3.934 3.057 1.00 0.00 H new ATOM 0 HB1 ALA A 97 7.997 -1.983 4.271 1.00 0.00 H new ATOM 0 HB2 ALA A 97 9.278 -3.153 3.877 1.00 0.00 H new ATOM 0 HB3 ALA A 97 9.127 -1.649 2.938 1.00 0.00 H new ATOM 693 N VAL A 98 5.526 -1.957 2.555 1.00 0.00 N ATOM 694 CA VAL A 98 4.595 -0.945 2.149 1.00 0.00 C ATOM 695 C VAL A 98 4.839 0.251 2.997 1.00 0.00 C ATOM 696 O VAL A 98 5.418 0.163 4.081 1.00 0.00 O ATOM 697 CB VAL A 98 3.115 -1.296 2.367 1.00 0.00 C ATOM 698 CG1 VAL A 98 2.237 -1.087 1.127 1.00 0.00 C ATOM 699 CG2 VAL A 98 2.922 -2.627 3.051 1.00 0.00 C ATOM 0 H VAL A 98 5.213 -2.539 3.332 1.00 0.00 H new ATOM 0 HA VAL A 98 4.756 -0.806 1.080 1.00 0.00 H new ATOM 0 HB VAL A 98 2.740 -0.558 3.076 1.00 0.00 H new ATOM 0 HG11 VAL A 98 1.207 -1.356 1.361 1.00 0.00 H new ATOM 0 HG12 VAL A 98 2.279 -0.041 0.824 1.00 0.00 H new ATOM 0 HG13 VAL A 98 2.601 -1.715 0.314 1.00 0.00 H new ATOM 0 HG21 VAL A 98 1.857 -2.820 3.178 1.00 0.00 H new ATOM 0 HG22 VAL A 98 3.364 -3.416 2.443 1.00 0.00 H new ATOM 0 HG23 VAL A 98 3.406 -2.608 4.028 1.00 0.00 H new ATOM 709 N PHE A 99 4.244 1.371 2.568 1.00 0.00 N ATOM 710 CA PHE A 99 4.376 2.604 3.272 1.00 0.00 C ATOM 711 C PHE A 99 3.219 3.447 2.870 1.00 0.00 C ATOM 712 O PHE A 99 2.659 3.275 1.788 1.00 0.00 O ATOM 713 CB PHE A 99 5.597 3.417 2.829 1.00 0.00 C ATOM 714 CG PHE A 99 6.822 2.748 3.346 1.00 0.00 C ATOM 715 CD1 PHE A 99 7.460 1.770 2.602 1.00 0.00 C ATOM 716 CD2 PHE A 99 7.451 3.171 4.528 1.00 0.00 C ATOM 717 CE1 PHE A 99 8.750 1.391 2.897 1.00 0.00 C ATOM 718 CE2 PHE A 99 8.756 2.835 4.788 1.00 0.00 C ATOM 719 CZ PHE A 99 9.426 2.012 3.921 1.00 0.00 C ATOM 0 H PHE A 99 3.667 1.424 1.728 1.00 0.00 H new ATOM 0 HA PHE A 99 4.450 2.369 4.334 1.00 0.00 H new ATOM 0 HB2 PHE A 99 5.633 3.485 1.742 1.00 0.00 H new ATOM 0 HB3 PHE A 99 5.532 4.436 3.210 1.00 0.00 H new ATOM 0 HD1 PHE A 99 6.940 1.299 1.781 1.00 0.00 H new ATOM 0 HD2 PHE A 99 6.901 3.768 5.241 1.00 0.00 H new ATOM 0 HE1 PHE A 99 9.229 0.609 2.327 1.00 0.00 H new ATOM 0 HE2 PHE A 99 9.251 3.216 5.669 1.00 0.00 H new ATOM 0 HZ PHE A 99 10.487 1.851 4.042 1.00 0.00 H new ATOM 729 N ARG A 100 2.910 4.445 3.707 1.00 0.00 N ATOM 730 CA ARG A 100 2.107 5.539 3.271 1.00 0.00 C ATOM 731 C ARG A 100 3.051 6.679 3.062 1.00 0.00 C ATOM 732 O ARG A 100 4.099 6.758 3.704 1.00 0.00 O ATOM 733 CB ARG A 100 0.955 5.821 4.233 1.00 0.00 C ATOM 734 CG ARG A 100 0.816 7.276 4.681 1.00 0.00 C ATOM 735 CD ARG A 100 0.241 7.388 6.091 1.00 0.00 C ATOM 736 NE ARG A 100 -0.495 8.683 6.203 1.00 0.00 N ATOM 737 CZ ARG A 100 0.158 9.859 6.398 1.00 0.00 C ATOM 738 NH1 ARG A 100 1.503 9.905 6.443 1.00 0.00 N ATOM 739 NH2 ARG A 100 -0.552 11.004 6.505 1.00 0.00 N ATOM 0 H ARG A 100 3.213 4.496 4.680 1.00 0.00 H new ATOM 0 HA ARG A 100 1.589 5.328 2.335 1.00 0.00 H new ATOM 0 HB2 ARG A 100 0.023 5.515 3.757 1.00 0.00 H new ATOM 0 HB3 ARG A 100 1.082 5.197 5.118 1.00 0.00 H new ATOM 0 HG2 ARG A 100 1.792 7.760 4.648 1.00 0.00 H new ATOM 0 HG3 ARG A 100 0.171 7.810 3.983 1.00 0.00 H new ATOM 0 HD2 ARG A 100 -0.429 6.553 6.294 1.00 0.00 H new ATOM 0 HD3 ARG A 100 1.040 7.342 6.831 1.00 0.00 H new ATOM 0 HE ARG A 100 -1.512 8.685 6.131 1.00 0.00 H new ATOM 0 HH11 ARG A 100 2.047 9.049 6.330 1.00 0.00 H new ATOM 0 HH12 ARG A 100 1.978 10.795 6.590 1.00 0.00 H new ATOM 0 HH21 ARG A 100 -1.570 10.981 6.439 1.00 0.00 H new ATOM 0 HH22 ARG A 100 -0.070 11.891 6.651 1.00 0.00 H new ATOM 753 N LEU A 101 2.740 7.547 2.088 1.00 0.00 N ATOM 754 CA LEU A 101 3.707 8.499 1.620 1.00 0.00 C ATOM 755 C LEU A 101 3.784 9.607 2.623 1.00 0.00 C ATOM 756 O LEU A 101 3.076 9.628 3.630 1.00 0.00 O ATOM 757 CB LEU A 101 3.314 9.134 0.273 1.00 0.00 C ATOM 758 CG LEU A 101 3.192 8.128 -0.875 1.00 0.00 C ATOM 759 CD1 LEU A 101 2.985 8.792 -2.243 1.00 0.00 C ATOM 760 CD2 LEU A 101 4.382 7.171 -0.970 1.00 0.00 C ATOM 0 H LEU A 101 1.832 7.595 1.626 1.00 0.00 H new ATOM 0 HA LEU A 101 4.652 7.972 1.489 1.00 0.00 H new ATOM 0 HB2 LEU A 101 2.363 9.653 0.391 1.00 0.00 H new ATOM 0 HB3 LEU A 101 4.057 9.886 0.007 1.00 0.00 H new ATOM 0 HG LEU A 101 2.300 7.555 -0.623 1.00 0.00 H new ATOM 0 HD11 LEU A 101 2.906 8.024 -3.012 1.00 0.00 H new ATOM 0 HD12 LEU A 101 2.069 9.383 -2.226 1.00 0.00 H new ATOM 0 HD13 LEU A 101 3.832 9.441 -2.464 1.00 0.00 H new ATOM 0 HD21 LEU A 101 4.232 6.485 -1.804 1.00 0.00 H new ATOM 0 HD22 LEU A 101 5.296 7.742 -1.130 1.00 0.00 H new ATOM 0 HD23 LEU A 101 4.467 6.603 -0.044 1.00 0.00 H new ATOM 772 N LEU A 102 4.659 10.588 2.343 1.00 0.00 N ATOM 773 CA LEU A 102 4.873 11.661 3.258 1.00 0.00 C ATOM 774 C LEU A 102 3.891 12.738 2.922 1.00 0.00 C ATOM 775 O LEU A 102 4.085 13.506 1.981 1.00 0.00 O ATOM 776 CB LEU A 102 6.287 12.232 3.165 1.00 0.00 C ATOM 777 CG LEU A 102 6.942 12.046 1.792 1.00 0.00 C ATOM 778 CD1 LEU A 102 8.010 13.100 1.502 1.00 0.00 C ATOM 779 CD2 LEU A 102 7.597 10.670 1.608 1.00 0.00 C ATOM 0 H LEU A 102 5.214 10.637 1.489 1.00 0.00 H new ATOM 0 HA LEU A 102 4.743 11.287 4.273 1.00 0.00 H new ATOM 0 HB2 LEU A 102 6.255 13.296 3.400 1.00 0.00 H new ATOM 0 HB3 LEU A 102 6.911 11.757 3.922 1.00 0.00 H new ATOM 0 HG LEU A 102 6.111 12.148 1.094 1.00 0.00 H new ATOM 0 HD11 LEU A 102 8.441 12.920 0.517 1.00 0.00 H new ATOM 0 HD12 LEU A 102 7.558 14.092 1.525 1.00 0.00 H new ATOM 0 HD13 LEU A 102 8.794 13.041 2.257 1.00 0.00 H new ATOM 0 HD21 LEU A 102 8.041 10.608 0.614 1.00 0.00 H new ATOM 0 HD22 LEU A 102 8.373 10.533 2.361 1.00 0.00 H new ATOM 0 HD23 LEU A 102 6.843 9.891 1.718 1.00 0.00 H new ATOM 791 N HIS A 103 2.812 12.831 3.720 1.00 0.00 N ATOM 792 CA HIS A 103 1.886 13.912 3.567 1.00 0.00 C ATOM 793 C HIS A 103 2.199 14.907 4.646 1.00 0.00 C ATOM 794 O HIS A 103 1.557 15.949 4.756 1.00 0.00 O ATOM 795 CB HIS A 103 0.422 13.467 3.702 1.00 0.00 C ATOM 796 CG HIS A 103 -0.048 12.631 2.547 1.00 0.00 C ATOM 797 ND1 HIS A 103 -1.203 11.895 2.599 1.00 0.00 N ATOM 798 CD2 HIS A 103 0.367 12.605 1.259 1.00 0.00 C ATOM 799 CE1 HIS A 103 -1.474 11.445 1.384 1.00 0.00 C ATOM 800 NE2 HIS A 103 -0.536 11.859 0.553 1.00 0.00 N ATOM 0 H HIS A 103 2.582 12.169 4.461 1.00 0.00 H new ATOM 0 HA HIS A 103 1.993 14.330 2.566 1.00 0.00 H new ATOM 0 HB2 HIS A 103 0.305 12.899 4.625 1.00 0.00 H new ATOM 0 HB3 HIS A 103 -0.213 14.349 3.787 1.00 0.00 H new ATOM 0 HD2 HIS A 103 1.249 13.085 0.862 1.00 0.00 H new ATOM 0 HE1 HIS A 103 -2.325 10.837 1.116 1.00 0.00 H new ATOM 0 HE2 HIS A 103 -0.492 11.657 -0.446 1.00 0.00 H new ATOM 809 N GLU A 104 3.233 14.607 5.459 1.00 0.00 N ATOM 810 CA GLU A 104 3.579 15.472 6.547 1.00 0.00 C ATOM 811 C GLU A 104 4.968 15.112 7.000 1.00 0.00 C ATOM 812 O GLU A 104 5.300 15.210 8.182 1.00 0.00 O ATOM 813 CB GLU A 104 2.600 15.439 7.728 1.00 0.00 C ATOM 814 CG GLU A 104 2.481 14.070 8.405 1.00 0.00 C ATOM 815 CD GLU A 104 1.776 13.113 7.452 1.00 0.00 C ATOM 816 OE1 GLU A 104 0.534 13.225 7.280 1.00 0.00 O ATOM 817 OE2 GLU A 104 2.469 12.237 6.862 1.00 0.00 O ATOM 0 H GLU A 104 3.821 13.779 5.365 1.00 0.00 H new ATOM 0 HA GLU A 104 3.527 16.496 6.178 1.00 0.00 H new ATOM 0 HB2 GLU A 104 2.917 16.172 8.469 1.00 0.00 H new ATOM 0 HB3 GLU A 104 1.615 15.746 7.378 1.00 0.00 H new ATOM 0 HG2 GLU A 104 3.469 13.688 8.661 1.00 0.00 H new ATOM 0 HG3 GLU A 104 1.921 14.156 9.336 1.00 0.00 H new ATOM 824 N HIS A 105 5.826 14.672 6.056 1.00 0.00 N ATOM 825 CA HIS A 105 7.196 14.401 6.390 1.00 0.00 C ATOM 826 C HIS A 105 8.019 14.784 5.200 1.00 0.00 C ATOM 827 O HIS A 105 7.487 15.169 4.161 1.00 0.00 O ATOM 828 CB HIS A 105 7.523 12.933 6.730 1.00 0.00 C ATOM 829 CG HIS A 105 6.312 12.083 6.977 1.00 0.00 C ATOM 830 ND1 HIS A 105 5.610 12.147 8.150 1.00 0.00 N ATOM 831 CD2 HIS A 105 5.909 10.959 6.345 1.00 0.00 C ATOM 832 CE1 HIS A 105 4.793 11.106 8.210 1.00 0.00 C ATOM 833 NE2 HIS A 105 4.957 10.368 7.127 1.00 0.00 N ATOM 0 H HIS A 105 5.579 14.506 5.080 1.00 0.00 H new ATOM 0 HA HIS A 105 7.411 14.970 7.295 1.00 0.00 H new ATOM 0 HB2 HIS A 105 8.098 12.500 5.912 1.00 0.00 H new ATOM 0 HB3 HIS A 105 8.159 12.908 7.615 1.00 0.00 H new ATOM 0 HD1 HIS A 105 5.701 12.874 8.859 1.00 0.00 H new ATOM 0 HD2 HIS A 105 6.273 10.594 5.396 1.00 0.00 H new ATOM 0 HE1 HIS A 105 4.104 10.895 9.015 1.00 0.00 H new ATOM 842 N LYS A 106 9.355 14.663 5.327 1.00 0.00 N ATOM 843 CA LYS A 106 10.212 14.937 4.217 1.00 0.00 C ATOM 844 C LYS A 106 11.289 13.899 4.232 1.00 0.00 C ATOM 845 O LYS A 106 12.073 13.810 5.177 1.00 0.00 O ATOM 846 CB LYS A 106 10.860 16.314 4.354 1.00 0.00 C ATOM 847 CG LYS A 106 11.874 16.639 3.254 1.00 0.00 C ATOM 848 CD LYS A 106 11.236 17.175 1.968 1.00 0.00 C ATOM 849 CE LYS A 106 10.662 18.588 2.113 1.00 0.00 C ATOM 850 NZ LYS A 106 10.116 19.038 0.837 1.00 0.00 N ATOM 0 H LYS A 106 9.833 14.381 6.183 1.00 0.00 H new ATOM 0 HA LYS A 106 9.637 14.921 3.291 1.00 0.00 H new ATOM 0 HB2 LYS A 106 10.078 17.074 4.349 1.00 0.00 H new ATOM 0 HB3 LYS A 106 11.358 16.375 5.322 1.00 0.00 H new ATOM 0 HG2 LYS A 106 12.583 17.376 3.632 1.00 0.00 H new ATOM 0 HG3 LYS A 106 12.443 15.740 3.019 1.00 0.00 H new ATOM 0 HD2 LYS A 106 11.983 17.175 1.174 1.00 0.00 H new ATOM 0 HD3 LYS A 106 10.440 16.498 1.657 1.00 0.00 H new ATOM 0 HE2 LYS A 106 9.882 18.596 2.875 1.00 0.00 H new ATOM 0 HE3 LYS A 106 11.441 19.273 2.447 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 9.729 19.997 0.944 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 10.870 19.047 0.121 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 9.360 18.391 0.536 1.00 0.00 H new ATOM 864 N GLY A 107 11.319 13.061 3.180 1.00 0.00 N ATOM 865 CA GLY A 107 12.403 12.133 3.001 1.00 0.00 C ATOM 866 C GLY A 107 12.136 10.927 3.852 1.00 0.00 C ATOM 867 O GLY A 107 13.056 10.187 4.191 1.00 0.00 O ATOM 0 H GLY A 107 10.601 13.022 2.456 1.00 0.00 H new ATOM 0 HA2 GLY A 107 12.488 11.847 1.953 1.00 0.00 H new ATOM 0 HA3 GLY A 107 13.349 12.595 3.283 1.00 0.00 H new ATOM 871 N LYS A 108 10.853 10.674 4.179 1.00 0.00 N ATOM 872 CA LYS A 108 10.525 9.555 5.004 1.00 0.00 C ATOM 873 C LYS A 108 9.126 9.176 4.681 1.00 0.00 C ATOM 874 O LYS A 108 8.240 10.024 4.611 1.00 0.00 O ATOM 875 CB LYS A 108 10.594 9.844 6.498 1.00 0.00 C ATOM 876 CG LYS A 108 12.026 9.944 7.020 1.00 0.00 C ATOM 877 CD LYS A 108 12.206 9.340 8.415 1.00 0.00 C ATOM 878 CE LYS A 108 13.557 9.672 9.054 1.00 0.00 C ATOM 879 NZ LYS A 108 14.640 9.070 8.280 1.00 0.00 N ATOM 0 H LYS A 108 10.057 11.235 3.877 1.00 0.00 H new ATOM 0 HA LYS A 108 11.254 8.771 4.801 1.00 0.00 H new ATOM 0 HB2 LYS A 108 10.071 10.777 6.707 1.00 0.00 H new ATOM 0 HB3 LYS A 108 10.070 9.057 7.040 1.00 0.00 H new ATOM 0 HG2 LYS A 108 12.695 9.438 6.324 1.00 0.00 H new ATOM 0 HG3 LYS A 108 12.324 10.992 7.044 1.00 0.00 H new ATOM 0 HD2 LYS A 108 11.408 9.700 9.064 1.00 0.00 H new ATOM 0 HD3 LYS A 108 12.100 8.257 8.350 1.00 0.00 H new ATOM 0 HE2 LYS A 108 13.690 10.753 9.101 1.00 0.00 H new ATOM 0 HE3 LYS A 108 13.584 9.303 10.079 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 15.549 9.258 8.750 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 14.490 8.043 8.214 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 14.653 9.480 7.324 1.00 0.00 H new ATOM 893 N LYS A 109 8.909 7.869 4.490 1.00 0.00 N ATOM 894 CA LYS A 109 7.597 7.365 4.254 1.00 0.00 C ATOM 895 C LYS A 109 7.168 6.706 5.525 1.00 0.00 C ATOM 896 O LYS A 109 7.992 6.213 6.293 1.00 0.00 O ATOM 897 CB LYS A 109 7.634 6.327 3.128 1.00 0.00 C ATOM 898 CG LYS A 109 7.567 6.909 1.720 1.00 0.00 C ATOM 899 CD LYS A 109 7.204 5.857 0.676 1.00 0.00 C ATOM 900 CE LYS A 109 8.206 4.699 0.609 1.00 0.00 C ATOM 901 NZ LYS A 109 9.373 5.090 -0.176 1.00 0.00 N ATOM 0 H LYS A 109 9.642 7.159 4.499 1.00 0.00 H new ATOM 0 HA LYS A 109 6.912 8.161 3.962 1.00 0.00 H new ATOM 0 HB2 LYS A 109 8.549 5.743 3.221 1.00 0.00 H new ATOM 0 HB3 LYS A 109 6.801 5.637 3.261 1.00 0.00 H new ATOM 0 HG2 LYS A 109 6.830 7.712 1.696 1.00 0.00 H new ATOM 0 HG3 LYS A 109 8.530 7.353 1.466 1.00 0.00 H new ATOM 0 HD2 LYS A 109 6.214 5.459 0.900 1.00 0.00 H new ATOM 0 HD3 LYS A 109 7.143 6.332 -0.303 1.00 0.00 H new ATOM 0 HE2 LYS A 109 8.514 4.415 1.616 1.00 0.00 H new ATOM 0 HE3 LYS A 109 7.734 3.824 0.162 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 9.882 4.239 -0.488 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 9.066 5.634 -1.007 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 10.003 5.676 0.408 1.00 0.00 H new ATOM 915 N ALA A 110 5.851 6.713 5.789 1.00 0.00 N ATOM 916 CA ALA A 110 5.348 6.133 7.003 1.00 0.00 C ATOM 917 C ALA A 110 5.137 4.684 6.733 1.00 0.00 C ATOM 918 O ALA A 110 4.388 4.309 5.839 1.00 0.00 O ATOM 919 CB ALA A 110 4.036 6.710 7.536 1.00 0.00 C ATOM 0 H ALA A 110 5.140 7.112 5.176 1.00 0.00 H new ATOM 0 HA ALA A 110 6.087 6.351 7.774 1.00 0.00 H new ATOM 0 HB1 ALA A 110 3.758 6.193 8.454 1.00 0.00 H new ATOM 0 HB2 ALA A 110 4.163 7.773 7.742 1.00 0.00 H new ATOM 0 HB3 ALA A 110 3.251 6.576 6.792 1.00 0.00 H new ATOM 925 N ARG A 111 5.820 3.819 7.504 1.00 0.00 N ATOM 926 CA ARG A 111 5.919 2.453 7.118 1.00 0.00 C ATOM 927 C ARG A 111 4.825 1.718 7.802 1.00 0.00 C ATOM 928 O ARG A 111 4.386 2.093 8.889 1.00 0.00 O ATOM 929 CB ARG A 111 7.268 1.899 7.547 1.00 0.00 C ATOM 930 CG ARG A 111 7.508 0.455 7.120 1.00 0.00 C ATOM 931 CD ARG A 111 7.484 -0.509 8.301 1.00 0.00 C ATOM 932 NE ARG A 111 8.543 -1.536 8.066 1.00 0.00 N ATOM 933 CZ ARG A 111 8.340 -2.555 7.187 1.00 0.00 C ATOM 934 NH1 ARG A 111 7.094 -2.877 6.779 1.00 0.00 N ATOM 935 NH2 ARG A 111 9.366 -3.375 6.860 1.00 0.00 N ATOM 0 H ARG A 111 6.293 4.061 8.375 1.00 0.00 H new ATOM 0 HA ARG A 111 5.833 2.346 6.037 1.00 0.00 H new ATOM 0 HB2 ARG A 111 8.056 2.526 7.131 1.00 0.00 H new ATOM 0 HB3 ARG A 111 7.348 1.965 8.632 1.00 0.00 H new ATOM 0 HG2 ARG A 111 6.746 0.161 6.398 1.00 0.00 H new ATOM 0 HG3 ARG A 111 8.471 0.383 6.615 1.00 0.00 H new ATOM 0 HD2 ARG A 111 7.667 0.024 9.234 1.00 0.00 H new ATOM 0 HD3 ARG A 111 6.506 -0.981 8.390 1.00 0.00 H new ATOM 0 HE ARG A 111 9.428 -1.473 8.570 1.00 0.00 H new ATOM 0 HH11 ARG A 111 6.291 -2.354 7.130 1.00 0.00 H new ATOM 0 HH12 ARG A 111 6.955 -3.643 6.120 1.00 0.00 H new ATOM 0 HH21 ARG A 111 10.287 -3.228 7.272 1.00 0.00 H new ATOM 0 HH22 ARG A 111 9.218 -4.140 6.202 1.00 0.00 H new ATOM 949 N LEU A 112 4.366 0.638 7.156 1.00 0.00 N ATOM 950 CA LEU A 112 3.134 0.028 7.545 1.00 0.00 C ATOM 951 C LEU A 112 3.388 -1.421 7.761 1.00 0.00 C ATOM 952 O LEU A 112 4.511 -1.909 7.614 1.00 0.00 O ATOM 953 CB LEU A 112 2.073 0.142 6.450 1.00 0.00 C ATOM 954 CG LEU A 112 1.692 1.585 6.127 1.00 0.00 C ATOM 955 CD1 LEU A 112 0.885 1.719 4.834 1.00 0.00 C ATOM 956 CD2 LEU A 112 1.009 2.314 7.291 1.00 0.00 C ATOM 0 H LEU A 112 4.840 0.189 6.372 1.00 0.00 H new ATOM 0 HA LEU A 112 2.773 0.531 8.442 1.00 0.00 H new ATOM 0 HB2 LEU A 112 2.442 -0.341 5.545 1.00 0.00 H new ATOM 0 HB3 LEU A 112 1.181 -0.402 6.760 1.00 0.00 H new ATOM 0 HG LEU A 112 2.645 2.088 5.962 1.00 0.00 H new ATOM 0 HD11 LEU A 112 0.646 2.768 4.661 1.00 0.00 H new ATOM 0 HD12 LEU A 112 1.472 1.338 3.998 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -0.038 1.146 4.920 1.00 0.00 H new ATOM 0 HD21 LEU A 112 0.767 3.333 6.990 1.00 0.00 H new ATOM 0 HD22 LEU A 112 0.093 1.789 7.562 1.00 0.00 H new ATOM 0 HD23 LEU A 112 1.681 2.339 8.149 1.00 0.00 H new ATOM 968 N ASP A 113 2.297 -2.143 8.064 1.00 0.00 N ATOM 969 CA ASP A 113 2.370 -3.555 8.294 1.00 0.00 C ATOM 970 C ASP A 113 1.873 -4.232 7.058 1.00 0.00 C ATOM 971 O ASP A 113 1.325 -3.600 6.170 1.00 0.00 O ATOM 972 CB ASP A 113 1.534 -4.013 9.503 1.00 0.00 C ATOM 973 CG ASP A 113 1.997 -5.404 9.912 1.00 0.00 C ATOM 974 OD1 ASP A 113 3.146 -5.522 10.408 1.00 0.00 O ATOM 975 OD2 ASP A 113 1.227 -6.371 9.668 1.00 0.00 O ATOM 0 H ASP A 113 1.360 -1.750 8.151 1.00 0.00 H new ATOM 0 HA ASP A 113 3.404 -3.817 8.520 1.00 0.00 H new ATOM 0 HB2 ASP A 113 1.653 -3.315 10.332 1.00 0.00 H new ATOM 0 HB3 ASP A 113 0.474 -4.026 9.247 1.00 0.00 H new ATOM 980 N TRP A 114 2.129 -5.551 6.942 1.00 0.00 N ATOM 981 CA TRP A 114 1.687 -6.288 5.810 1.00 0.00 C ATOM 982 C TRP A 114 0.324 -6.840 6.111 1.00 0.00 C ATOM 983 O TRP A 114 -0.336 -7.411 5.247 1.00 0.00 O ATOM 984 CB TRP A 114 2.690 -7.427 5.510 1.00 0.00 C ATOM 985 CG TRP A 114 3.588 -7.144 4.328 1.00 0.00 C ATOM 986 CD1 TRP A 114 4.889 -7.459 4.068 1.00 0.00 C ATOM 987 CD2 TRP A 114 3.098 -6.488 3.168 1.00 0.00 C ATOM 988 NE1 TRP A 114 5.240 -6.992 2.813 1.00 0.00 N ATOM 989 CE2 TRP A 114 4.140 -6.382 2.245 1.00 0.00 C ATOM 990 CE3 TRP A 114 1.825 -6.157 2.909 1.00 0.00 C ATOM 991 CZ2 TRP A 114 3.848 -5.783 1.029 1.00 0.00 C ATOM 992 CZ3 TRP A 114 1.538 -5.613 1.684 1.00 0.00 C ATOM 993 CH2 TRP A 114 2.525 -5.460 0.737 1.00 0.00 C ATOM 0 H TRP A 114 2.641 -6.099 7.633 1.00 0.00 H new ATOM 0 HA TRP A 114 1.631 -5.647 4.930 1.00 0.00 H new ATOM 0 HB2 TRP A 114 3.307 -7.599 6.392 1.00 0.00 H new ATOM 0 HB3 TRP A 114 2.137 -8.348 5.324 1.00 0.00 H new ATOM 0 HD1 TRP A 114 5.546 -7.992 4.739 1.00 0.00 H new ATOM 0 HE1 TRP A 114 6.159 -7.084 2.380 1.00 0.00 H new ATOM 0 HE3 TRP A 114 1.049 -6.314 3.643 1.00 0.00 H new ATOM 0 HZ2 TRP A 114 4.634 -5.570 0.320 1.00 0.00 H new ATOM 0 HZ3 TRP A 114 0.528 -5.302 1.460 1.00 0.00 H new ATOM 0 HH2 TRP A 114 2.271 -5.085 -0.243 1.00 0.00 H new ATOM 1004 N ASN A 115 -0.193 -6.556 7.320 1.00 0.00 N ATOM 1005 CA ASN A 115 -1.552 -6.888 7.627 1.00 0.00 C ATOM 1006 C ASN A 115 -2.258 -5.599 7.884 1.00 0.00 C ATOM 1007 O ASN A 115 -3.268 -5.558 8.587 1.00 0.00 O ATOM 1008 CB ASN A 115 -1.630 -7.680 8.937 1.00 0.00 C ATOM 1009 CG ASN A 115 -2.675 -8.771 8.780 1.00 0.00 C ATOM 1010 OD1 ASN A 115 -2.349 -9.947 8.618 1.00 0.00 O ATOM 1011 ND2 ASN A 115 -3.964 -8.370 8.841 1.00 0.00 N ATOM 0 H ASN A 115 0.320 -6.103 8.076 1.00 0.00 H new ATOM 0 HA ASN A 115 -1.979 -7.470 6.810 1.00 0.00 H new ATOM 0 HB2 ASN A 115 -0.660 -8.116 9.174 1.00 0.00 H new ATOM 0 HB3 ASN A 115 -1.893 -7.020 9.764 1.00 0.00 H new ATOM 0 HD21 ASN A 115 -4.716 -9.054 8.751 1.00 0.00 H new ATOM 0 HD22 ASN A 115 -4.185 -7.384 8.977 1.00 0.00 H new ATOM 1018 N THR A 116 -1.726 -4.491 7.330 1.00 0.00 N ATOM 1019 CA THR A 116 -2.113 -3.202 7.811 1.00 0.00 C ATOM 1020 C THR A 116 -3.505 -2.896 7.315 1.00 0.00 C ATOM 1021 O THR A 116 -3.927 -3.347 6.248 1.00 0.00 O ATOM 1022 CB THR A 116 -1.056 -2.077 7.726 1.00 0.00 C ATOM 1023 OG1 THR A 116 -0.453 -1.881 8.997 1.00 0.00 O ATOM 1024 CG2 THR A 116 -1.599 -0.661 7.481 1.00 0.00 C ATOM 0 H THR A 116 -1.046 -4.487 6.570 1.00 0.00 H new ATOM 0 HA THR A 116 -2.161 -3.245 8.899 1.00 0.00 H new ATOM 0 HB THR A 116 -0.422 -2.421 6.908 1.00 0.00 H new ATOM 0 HG1 THR A 116 -0.178 -0.945 9.088 1.00 0.00 H new ATOM 0 HG21 THR A 116 -0.769 0.045 7.440 1.00 0.00 H new ATOM 0 HG22 THR A 116 -2.142 -0.638 6.536 1.00 0.00 H new ATOM 0 HG23 THR A 116 -2.271 -0.384 8.293 1.00 0.00 H new ATOM 1032 N ASP A 117 -4.291 -2.226 8.175 1.00 0.00 N ATOM 1033 CA ASP A 117 -5.631 -1.827 7.845 1.00 0.00 C ATOM 1034 C ASP A 117 -5.526 -0.710 6.853 1.00 0.00 C ATOM 1035 O ASP A 117 -5.502 0.450 7.241 1.00 0.00 O ATOM 1036 CB ASP A 117 -6.353 -1.314 9.107 1.00 0.00 C ATOM 1037 CG ASP A 117 -7.815 -1.063 8.769 1.00 0.00 C ATOM 1038 OD1 ASP A 117 -8.512 -2.043 8.400 1.00 0.00 O ATOM 1039 OD2 ASP A 117 -8.241 0.120 8.868 1.00 0.00 O ATOM 0 H ASP A 117 -3.997 -1.955 9.113 1.00 0.00 H new ATOM 0 HA ASP A 117 -6.193 -2.669 7.440 1.00 0.00 H new ATOM 0 HB2 ASP A 117 -6.272 -2.045 9.911 1.00 0.00 H new ATOM 0 HB3 ASP A 117 -5.885 -0.396 9.462 1.00 0.00 H new ATOM 1044 N ALA A 118 -5.601 -1.076 5.554 1.00 0.00 N ATOM 1045 CA ALA A 118 -5.488 -0.129 4.470 1.00 0.00 C ATOM 1046 C ALA A 118 -6.648 0.813 4.551 1.00 0.00 C ATOM 1047 O ALA A 118 -6.566 1.950 4.098 1.00 0.00 O ATOM 1048 CB ALA A 118 -5.687 -1.004 3.213 1.00 0.00 C ATOM 0 H ALA A 118 -5.742 -2.039 5.249 1.00 0.00 H new ATOM 0 HA ALA A 118 -4.555 0.434 4.479 1.00 0.00 H new ATOM 0 HB1 ALA A 118 -5.620 -0.381 2.321 1.00 0.00 H new ATOM 0 HB2 ALA A 118 -4.914 -1.772 3.178 1.00 0.00 H new ATOM 0 HB3 ALA A 118 -6.668 -1.478 3.251 1.00 0.00 H new ATOM 1054 N ALA A 119 -7.710 0.390 5.261 1.00 0.00 N ATOM 1055 CA ALA A 119 -8.904 1.174 5.380 1.00 0.00 C ATOM 1056 C ALA A 119 -8.648 2.285 6.364 1.00 0.00 C ATOM 1057 O ALA A 119 -9.489 3.160 6.555 1.00 0.00 O ATOM 1058 CB ALA A 119 -9.747 0.088 6.073 1.00 0.00 C ATOM 0 H ALA A 119 -7.743 -0.501 5.756 1.00 0.00 H new ATOM 0 HA ALA A 119 -9.308 1.630 4.476 1.00 0.00 H new ATOM 0 HB1 ALA A 119 -10.746 0.475 6.273 1.00 0.00 H new ATOM 0 HB2 ALA A 119 -9.819 -0.785 5.425 1.00 0.00 H new ATOM 0 HB3 ALA A 119 -9.273 -0.196 7.013 1.00 0.00 H new ATOM 1064 N SER A 120 -7.443 2.312 6.971 1.00 0.00 N ATOM 1065 CA SER A 120 -7.100 3.378 7.870 1.00 0.00 C ATOM 1066 C SER A 120 -6.141 4.283 7.148 1.00 0.00 C ATOM 1067 O SER A 120 -5.877 5.401 7.584 1.00 0.00 O ATOM 1068 CB SER A 120 -6.427 2.894 9.161 1.00 0.00 C ATOM 1069 OG SER A 120 -7.366 2.206 9.977 1.00 0.00 O ATOM 0 H SER A 120 -6.716 1.608 6.843 1.00 0.00 H new ATOM 0 HA SER A 120 -8.023 3.880 8.162 1.00 0.00 H new ATOM 0 HB2 SER A 120 -5.593 2.235 8.920 1.00 0.00 H new ATOM 0 HB3 SER A 120 -6.015 3.744 9.705 1.00 0.00 H new ATOM 0 HG SER A 120 -7.942 1.648 9.414 1.00 0.00 H new ATOM 1075 N LEU A 121 -5.594 3.801 6.012 1.00 0.00 N ATOM 1076 CA LEU A 121 -4.725 4.606 5.196 1.00 0.00 C ATOM 1077 C LEU A 121 -5.545 5.067 4.057 1.00 0.00 C ATOM 1078 O LEU A 121 -5.034 5.558 3.055 1.00 0.00 O ATOM 1079 CB LEU A 121 -3.561 3.791 4.621 1.00 0.00 C ATOM 1080 CG LEU A 121 -2.717 3.112 5.699 1.00 0.00 C ATOM 1081 CD1 LEU A 121 -2.606 3.960 6.967 1.00 0.00 C ATOM 1082 CD2 LEU A 121 -3.293 1.764 6.127 1.00 0.00 C ATOM 0 H LEU A 121 -5.752 2.857 5.658 1.00 0.00 H new ATOM 0 HA LEU A 121 -4.310 5.415 5.797 1.00 0.00 H new ATOM 0 HB2 LEU A 121 -3.955 3.032 3.945 1.00 0.00 H new ATOM 0 HB3 LEU A 121 -2.924 4.447 4.028 1.00 0.00 H new ATOM 0 HG LEU A 121 -1.738 2.979 5.238 1.00 0.00 H new ATOM 0 HD11 LEU A 121 -1.997 3.436 7.703 1.00 0.00 H new ATOM 0 HD12 LEU A 121 -2.141 4.916 6.726 1.00 0.00 H new ATOM 0 HD13 LEU A 121 -3.601 4.134 7.377 1.00 0.00 H new ATOM 0 HD21 LEU A 121 -2.656 1.323 6.894 1.00 0.00 H new ATOM 0 HD22 LEU A 121 -4.297 1.908 6.527 1.00 0.00 H new ATOM 0 HD23 LEU A 121 -3.338 1.097 5.266 1.00 0.00 H new ATOM 1094 N ILE A 122 -6.861 4.895 4.224 1.00 0.00 N ATOM 1095 CA ILE A 122 -7.792 5.111 3.156 1.00 0.00 C ATOM 1096 C ILE A 122 -7.864 6.579 2.899 1.00 0.00 C ATOM 1097 O ILE A 122 -7.967 7.394 3.816 1.00 0.00 O ATOM 1098 CB ILE A 122 -9.175 4.504 3.430 1.00 0.00 C ATOM 1099 CG1 ILE A 122 -9.773 3.735 2.247 1.00 0.00 C ATOM 1100 CG2 ILE A 122 -10.231 5.486 3.967 1.00 0.00 C ATOM 1101 CD1 ILE A 122 -9.049 2.426 1.907 1.00 0.00 C ATOM 0 H ILE A 122 -7.289 4.604 5.103 1.00 0.00 H new ATOM 0 HA ILE A 122 -7.437 4.592 2.266 1.00 0.00 H new ATOM 0 HB ILE A 122 -8.942 3.799 4.228 1.00 0.00 H new ATOM 0 HG12 ILE A 122 -10.817 3.511 2.466 1.00 0.00 H new ATOM 0 HG13 ILE A 122 -9.763 4.380 1.368 1.00 0.00 H new ATOM 0 HG21 ILE A 122 -11.171 4.958 4.127 1.00 0.00 H new ATOM 0 HG22 ILE A 122 -9.887 5.909 4.911 1.00 0.00 H new ATOM 0 HG23 ILE A 122 -10.384 6.287 3.244 1.00 0.00 H new ATOM 0 HD11 ILE A 122 -9.539 1.949 1.058 1.00 0.00 H new ATOM 0 HD12 ILE A 122 -8.011 2.640 1.653 1.00 0.00 H new ATOM 0 HD13 ILE A 122 -9.082 1.758 2.768 1.00 0.00 H new ATOM 1113 N GLY A 123 -7.738 6.928 1.611 1.00 0.00 N ATOM 1114 CA GLY A 123 -7.816 8.299 1.189 1.00 0.00 C ATOM 1115 C GLY A 123 -6.439 8.885 1.281 1.00 0.00 C ATOM 1116 O GLY A 123 -6.278 10.060 1.598 1.00 0.00 O ATOM 0 H GLY A 123 -7.581 6.263 0.854 1.00 0.00 H new ATOM 0 HA2 GLY A 123 -8.191 8.364 0.168 1.00 0.00 H new ATOM 0 HA3 GLY A 123 -8.510 8.854 1.820 1.00 0.00 H new ATOM 1120 N GLU A 124 -5.405 8.072 0.984 1.00 0.00 N ATOM 1121 CA GLU A 124 -4.056 8.546 1.086 1.00 0.00 C ATOM 1122 C GLU A 124 -3.325 8.064 -0.131 1.00 0.00 C ATOM 1123 O GLU A 124 -3.932 7.633 -1.116 1.00 0.00 O ATOM 1124 CB GLU A 124 -3.319 7.983 2.310 1.00 0.00 C ATOM 1125 CG GLU A 124 -4.039 8.241 3.640 1.00 0.00 C ATOM 1126 CD GLU A 124 -3.438 9.487 4.278 1.00 0.00 C ATOM 1127 OE1 GLU A 124 -3.458 10.572 3.634 1.00 0.00 O ATOM 1128 OE2 GLU A 124 -2.851 9.359 5.385 1.00 0.00 O ATOM 0 H GLU A 124 -5.499 7.103 0.679 1.00 0.00 H new ATOM 0 HA GLU A 124 -4.084 9.632 1.177 1.00 0.00 H new ATOM 0 HB2 GLU A 124 -3.188 6.909 2.181 1.00 0.00 H new ATOM 0 HB3 GLU A 124 -2.322 8.422 2.356 1.00 0.00 H new ATOM 0 HG2 GLU A 124 -5.107 8.378 3.473 1.00 0.00 H new ATOM 0 HG3 GLU A 124 -3.928 7.384 4.304 1.00 0.00 H new ATOM 1135 N GLU A 125 -1.981 8.103 -0.064 1.00 0.00 N ATOM 1136 CA GLU A 125 -1.170 7.540 -1.103 1.00 0.00 C ATOM 1137 C GLU A 125 -0.187 6.642 -0.442 1.00 0.00 C ATOM 1138 O GLU A 125 0.354 6.975 0.614 1.00 0.00 O ATOM 1139 CB GLU A 125 -0.383 8.575 -1.911 1.00 0.00 C ATOM 1140 CG GLU A 125 -1.238 9.293 -2.957 1.00 0.00 C ATOM 1141 CD GLU A 125 -0.810 10.754 -3.009 1.00 0.00 C ATOM 1142 OE1 GLU A 125 -0.825 11.417 -1.935 1.00 0.00 O ATOM 1143 OE2 GLU A 125 -0.443 11.220 -4.119 1.00 0.00 O ATOM 0 H GLU A 125 -1.457 8.522 0.705 1.00 0.00 H new ATOM 0 HA GLU A 125 -1.835 7.033 -1.803 1.00 0.00 H new ATOM 0 HB2 GLU A 125 0.043 9.312 -1.230 1.00 0.00 H new ATOM 0 HB3 GLU A 125 0.451 8.081 -2.409 1.00 0.00 H new ATOM 0 HG2 GLU A 125 -1.113 8.826 -3.934 1.00 0.00 H new ATOM 0 HG3 GLU A 125 -2.295 9.216 -2.700 1.00 0.00 H new ATOM 1150 N LEU A 126 0.064 5.482 -1.072 1.00 0.00 N ATOM 1151 CA LEU A 126 0.969 4.525 -0.513 1.00 0.00 C ATOM 1152 C LEU A 126 2.091 4.329 -1.478 1.00 0.00 C ATOM 1153 O LEU A 126 2.013 4.704 -2.647 1.00 0.00 O ATOM 1154 CB LEU A 126 0.342 3.146 -0.262 1.00 0.00 C ATOM 1155 CG LEU A 126 -0.328 3.023 1.107 1.00 0.00 C ATOM 1156 CD1 LEU A 126 -1.794 3.427 1.102 1.00 0.00 C ATOM 1157 CD2 LEU A 126 -0.106 1.660 1.768 1.00 0.00 C ATOM 0 H LEU A 126 -0.355 5.207 -1.961 1.00 0.00 H new ATOM 0 HA LEU A 126 1.288 4.923 0.450 1.00 0.00 H new ATOM 0 HB2 LEU A 126 -0.396 2.944 -1.039 1.00 0.00 H new ATOM 0 HB3 LEU A 126 1.115 2.382 -0.350 1.00 0.00 H new ATOM 0 HG LEU A 126 0.183 3.754 1.734 1.00 0.00 H new ATOM 0 HD11 LEU A 126 -2.206 3.315 2.105 1.00 0.00 H new ATOM 0 HD12 LEU A 126 -1.884 4.467 0.787 1.00 0.00 H new ATOM 0 HD13 LEU A 126 -2.345 2.789 0.411 1.00 0.00 H new ATOM 0 HD21 LEU A 126 -0.607 1.639 2.736 1.00 0.00 H new ATOM 0 HD22 LEU A 126 -0.514 0.876 1.131 1.00 0.00 H new ATOM 0 HD23 LEU A 126 0.962 1.494 1.909 1.00 0.00 H new ATOM 1169 N GLN A 127 3.160 3.672 -0.992 1.00 0.00 N ATOM 1170 CA GLN A 127 4.229 3.258 -1.850 1.00 0.00 C ATOM 1171 C GLN A 127 4.575 1.867 -1.445 1.00 0.00 C ATOM 1172 O GLN A 127 4.192 1.408 -0.370 1.00 0.00 O ATOM 1173 CB GLN A 127 5.513 4.091 -1.684 1.00 0.00 C ATOM 1174 CG GLN A 127 6.157 4.510 -3.014 1.00 0.00 C ATOM 1175 CD GLN A 127 7.661 4.638 -2.804 1.00 0.00 C ATOM 1176 OE1 GLN A 127 8.179 5.732 -2.571 1.00 0.00 O ATOM 1177 NE2 GLN A 127 8.392 3.495 -2.886 1.00 0.00 N ATOM 0 H GLN A 127 3.285 3.428 -0.010 1.00 0.00 H new ATOM 0 HA GLN A 127 3.892 3.367 -2.881 1.00 0.00 H new ATOM 0 HB2 GLN A 127 5.282 4.985 -1.105 1.00 0.00 H new ATOM 0 HB3 GLN A 127 6.236 3.515 -1.106 1.00 0.00 H new ATOM 0 HG2 GLN A 127 5.944 3.772 -3.787 1.00 0.00 H new ATOM 0 HG3 GLN A 127 5.740 5.458 -3.355 1.00 0.00 H new ATOM 0 HE21 GLN A 127 7.930 2.607 -3.080 1.00 0.00 H new ATOM 0 HE22 GLN A 127 9.403 3.525 -2.753 1.00 0.00 H new ATOM 1186 N VAL A 128 5.355 1.177 -2.293 1.00 0.00 N ATOM 1187 CA VAL A 128 5.939 -0.065 -1.891 1.00 0.00 C ATOM 1188 C VAL A 128 7.411 0.075 -2.112 1.00 0.00 C ATOM 1189 O VAL A 128 7.847 0.809 -2.998 1.00 0.00 O ATOM 1190 CB VAL A 128 5.377 -1.269 -2.661 1.00 0.00 C ATOM 1191 CG1 VAL A 128 6.201 -2.549 -2.493 1.00 0.00 C ATOM 1192 CG2 VAL A 128 3.965 -1.662 -2.211 1.00 0.00 C ATOM 0 H VAL A 128 5.580 1.472 -3.243 1.00 0.00 H new ATOM 0 HA VAL A 128 5.703 -0.265 -0.846 1.00 0.00 H new ATOM 0 HB VAL A 128 5.396 -0.918 -3.693 1.00 0.00 H new ATOM 0 HG11 VAL A 128 5.742 -3.355 -3.066 1.00 0.00 H new ATOM 0 HG12 VAL A 128 7.215 -2.379 -2.854 1.00 0.00 H new ATOM 0 HG13 VAL A 128 6.233 -2.825 -1.439 1.00 0.00 H new ATOM 0 HG21 VAL A 128 3.623 -2.519 -2.792 1.00 0.00 H new ATOM 0 HG22 VAL A 128 3.980 -1.924 -1.153 1.00 0.00 H new ATOM 0 HG23 VAL A 128 3.287 -0.823 -2.368 1.00 0.00 H new ATOM 1202 N ASP A 129 8.216 -0.552 -1.235 1.00 0.00 N ATOM 1203 CA ASP A 129 9.638 -0.388 -1.305 1.00 0.00 C ATOM 1204 C ASP A 129 10.253 -1.694 -0.893 1.00 0.00 C ATOM 1205 O ASP A 129 9.612 -2.739 -0.953 1.00 0.00 O ATOM 1206 CB ASP A 129 10.133 0.742 -0.378 1.00 0.00 C ATOM 1207 CG ASP A 129 10.968 1.710 -1.203 1.00 0.00 C ATOM 1208 OD1 ASP A 129 11.956 1.246 -1.830 1.00 0.00 O ATOM 1209 OD2 ASP A 129 10.636 2.927 -1.201 1.00 0.00 O ATOM 0 H ASP A 129 7.890 -1.164 -0.487 1.00 0.00 H new ATOM 0 HA ASP A 129 9.925 -0.111 -2.319 1.00 0.00 H new ATOM 0 HB2 ASP A 129 9.287 1.260 0.073 1.00 0.00 H new ATOM 0 HB3 ASP A 129 10.726 0.330 0.438 1.00 0.00 H new ATOM 1214 N PHE A 130 11.527 -1.656 -0.450 1.00 0.00 N ATOM 1215 CA PHE A 130 12.216 -2.858 -0.072 1.00 0.00 C ATOM 1216 C PHE A 130 11.602 -3.362 1.208 1.00 0.00 C ATOM 1217 O PHE A 130 10.935 -2.621 1.922 1.00 0.00 O ATOM 1218 CB PHE A 130 13.732 -2.657 0.132 1.00 0.00 C ATOM 1219 CG PHE A 130 13.955 -1.262 0.615 1.00 0.00 C ATOM 1220 CD1 PHE A 130 13.769 -0.924 1.948 1.00 0.00 C ATOM 1221 CD2 PHE A 130 14.359 -0.252 -0.267 1.00 0.00 C ATOM 1222 CE1 PHE A 130 13.937 0.380 2.382 1.00 0.00 C ATOM 1223 CE2 PHE A 130 14.531 1.048 0.170 1.00 0.00 C ATOM 1224 CZ PHE A 130 14.318 1.366 1.498 1.00 0.00 C ATOM 0 H PHE A 130 12.076 -0.802 -0.354 1.00 0.00 H new ATOM 0 HA PHE A 130 12.108 -3.575 -0.886 1.00 0.00 H new ATOM 0 HB2 PHE A 130 14.117 -3.376 0.855 1.00 0.00 H new ATOM 0 HB3 PHE A 130 14.267 -2.826 -0.802 1.00 0.00 H new ATOM 0 HD1 PHE A 130 13.489 -1.689 2.657 1.00 0.00 H new ATOM 0 HD2 PHE A 130 14.539 -0.493 -1.304 1.00 0.00 H new ATOM 0 HE1 PHE A 130 13.768 0.626 3.420 1.00 0.00 H new ATOM 0 HE2 PHE A 130 14.832 1.816 -0.527 1.00 0.00 H new ATOM 0 HZ PHE A 130 14.449 2.382 1.841 1.00 0.00 H new ATOM 1234 N LEU A 131 11.904 -4.632 1.555 1.00 0.00 N ATOM 1235 CA LEU A 131 11.220 -5.305 2.627 1.00 0.00 C ATOM 1236 C LEU A 131 11.649 -4.708 3.925 1.00 0.00 C ATOM 1237 O LEU A 131 10.958 -4.821 4.935 1.00 0.00 O ATOM 1238 CB LEU A 131 11.505 -6.811 2.673 1.00 0.00 C ATOM 1239 CG LEU A 131 12.993 -7.167 2.570 1.00 0.00 C ATOM 1240 CD1 LEU A 131 13.646 -7.407 3.935 1.00 0.00 C ATOM 1241 CD2 LEU A 131 13.266 -8.370 1.661 1.00 0.00 C ATOM 0 H LEU A 131 12.621 -5.193 1.095 1.00 0.00 H new ATOM 0 HA LEU A 131 10.152 -5.176 2.452 1.00 0.00 H new ATOM 0 HB2 LEU A 131 11.108 -7.217 3.603 1.00 0.00 H new ATOM 0 HB3 LEU A 131 10.968 -7.297 1.858 1.00 0.00 H new ATOM 0 HG LEU A 131 13.447 -6.286 2.117 1.00 0.00 H new ATOM 0 HD11 LEU A 131 14.698 -7.655 3.796 1.00 0.00 H new ATOM 0 HD12 LEU A 131 13.562 -6.505 4.542 1.00 0.00 H new ATOM 0 HD13 LEU A 131 13.142 -8.232 4.439 1.00 0.00 H new ATOM 0 HD21 LEU A 131 14.337 -8.568 1.632 1.00 0.00 H new ATOM 0 HD22 LEU A 131 12.745 -9.245 2.049 1.00 0.00 H new ATOM 0 HD23 LEU A 131 12.910 -8.153 0.654 1.00 0.00 H new ATOM 1253 N ASP A 132 12.809 -4.050 3.909 1.00 0.00 N ATOM 1254 CA ASP A 132 13.427 -3.595 5.122 1.00 0.00 C ATOM 1255 C ASP A 132 12.622 -2.376 5.632 1.00 0.00 C ATOM 1256 O ASP A 132 12.852 -1.250 5.114 1.00 0.00 O ATOM 1257 CB ASP A 132 14.895 -3.178 4.935 1.00 0.00 C ATOM 1258 CG ASP A 132 15.628 -4.314 4.234 1.00 0.00 C ATOM 1259 OD1 ASP A 132 15.331 -4.558 3.033 1.00 0.00 O ATOM 1260 OD2 ASP A 132 16.474 -4.966 4.898 1.00 0.00 O ATOM 1261 OXT ASP A 132 11.813 -2.553 6.587 1.00 0.00 O ATOM 0 H ASP A 132 13.328 -3.827 3.060 1.00 0.00 H new ATOM 0 HA ASP A 132 13.423 -4.422 5.832 1.00 0.00 H new ATOM 0 HB2 ASP A 132 14.958 -2.264 4.345 1.00 0.00 H new ATOM 0 HB3 ASP A 132 15.356 -2.967 5.900 1.00 0.00 H new TER 1266 ASP A 132