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+ -173:sc= 2.15 (180deg=1.1) USER MOD Set 1.2: A 127 GLN : amide:sc= 2.91 K(o=5.1,f=-4.4) USER MOD Set 2.1: A 92 GLN : amide:sc= 0.36 K(o=0.74,f=-0.0032) USER MOD Set 2.2: A 95 CYS SG : rot 131:sc= 0.378 USER MOD Set 3.1: A 76 MET CE :methyl -178:sc= -0.772 (180deg=-0.467) USER MOD Set 3.2: A 84 LYS NZ :NH3+ -166:sc= 0.429 (180deg=1.08) USER MOD Set 4.1: A 55 SER OG : rot -170:sc= 0.0151 USER MOD Set 4.2: A 57 THR OG1 : rot -149:sc= 1 USER MOD Single : A 56 ASN : amide:sc= 0.951 K(o=0.95,f=-0.091) USER MOD Single : A 64 ASN : amide:sc= -0.641 K(o=-0.64,f=-2.5) USER MOD Single : A 65 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0113) USER MOD Single : A 66 GLN : amide:sc= 0.131 K(o=0.13,f=-5.9!) USER MOD Single : A 68 THR OG1 : rot 180:sc= -0.11 USER MOD Single : A 71 ASN : amide:sc= -0.288 K(o=-0.29,f=-1.1) USER MOD Single : A 74 ASN : amide:sc= 1.26 K(o=1.3,f=-5.8!) USER MOD Single : A 77 SER OG : rot 43:sc= 1.25 USER MOD Single : A 79 HIS : no HE2:sc= -10.3! C(o=-10!,f=-11!) USER MOD Single : A 81 CYS SG : rot -38:sc= -2.01 USER MOD Single : A 83 MET CE :methyl -153:sc= -0.132 (180deg=-0.681) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 CYS SG : rot 106:sc= 0.537 USER MOD Single : A 103 HIS : no HD1:sc= -1.37 K(o=1.2,f=-13!) USER MOD Single : A 105 HIS : no HD1:sc= -8.89! C(o=-8.9!,f=-7.3!) 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 115 ASN : amide:sc= 0.186 X(o=0.19,f=0) USER MOD Single : A 116 THR OG1 : rot -170:sc= -0.73 USER MOD Single : A 120 SER OG : rot 150:sc= 1.15 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 55 -12.806 7.576 2.876 1.00 0.00 N ATOM 2 CA SER A 55 -12.627 7.048 1.522 1.00 0.00 C ATOM 3 C SER A 55 -12.712 5.553 1.533 1.00 0.00 C ATOM 4 O SER A 55 -12.938 4.933 2.570 1.00 0.00 O ATOM 5 CB SER A 55 -11.242 7.441 0.973 1.00 0.00 C ATOM 6 OG SER A 55 -11.223 7.334 -0.447 1.00 0.00 O ATOM 0 HA SER A 55 -13.413 7.466 0.893 1.00 0.00 H new ATOM 0 HB2 SER A 55 -11.002 8.462 1.271 1.00 0.00 H new ATOM 0 HB3 SER A 55 -10.476 6.795 1.403 1.00 0.00 H new ATOM 0 HG SER A 55 -10.303 7.431 -0.770 1.00 0.00 H new ATOM 14 N ASN A 56 -12.544 4.947 0.345 1.00 0.00 N ATOM 15 CA ASN A 56 -12.422 3.522 0.252 1.00 0.00 C ATOM 16 C ASN A 56 -11.407 3.257 -0.816 1.00 0.00 C ATOM 17 O ASN A 56 -11.322 2.161 -1.365 1.00 0.00 O ATOM 18 CB ASN A 56 -13.754 2.833 -0.081 1.00 0.00 C ATOM 19 CG ASN A 56 -13.658 1.367 0.326 1.00 0.00 C ATOM 20 OD1 ASN A 56 -13.664 1.037 1.512 1.00 0.00 O ATOM 21 ND2 ASN A 56 -13.570 0.460 -0.681 1.00 0.00 N ATOM 0 H ASN A 56 -12.493 5.438 -0.548 1.00 0.00 H new ATOM 0 HA ASN A 56 -12.117 3.112 1.215 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -14.574 3.319 0.447 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -13.967 2.917 -1.147 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -13.506 -0.535 -0.467 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -13.568 0.774 -1.651 1.00 0.00 H new ATOM 28 N THR A 57 -10.559 4.270 -1.084 1.00 0.00 N ATOM 29 CA THR A 57 -9.607 4.166 -2.149 1.00 0.00 C ATOM 30 C THR A 57 -8.261 4.476 -1.574 1.00 0.00 C ATOM 31 O THR A 57 -8.127 5.332 -0.699 1.00 0.00 O ATOM 32 CB THR A 57 -9.877 5.150 -3.302 1.00 0.00 C ATOM 33 OG1 THR A 57 -9.738 6.496 -2.857 1.00 0.00 O ATOM 34 CG2 THR A 57 -11.297 5.055 -3.868 1.00 0.00 C ATOM 0 H THR A 57 -10.532 5.151 -0.570 1.00 0.00 H new ATOM 0 HA THR A 57 -9.672 3.160 -2.564 1.00 0.00 H new ATOM 0 HB THR A 57 -9.151 4.880 -4.069 1.00 0.00 H new ATOM 0 HG1 THR A 57 -10.344 7.073 -3.367 1.00 0.00 H new ATOM 0 HG21 THR A 57 -11.416 5.777 -4.676 1.00 0.00 H new ATOM 0 HG22 THR A 57 -11.469 4.049 -4.251 1.00 0.00 H new ATOM 0 HG23 THR A 57 -12.018 5.271 -3.080 1.00 0.00 H new ATOM 42 N ILE A 58 -7.223 3.779 -2.070 1.00 0.00 N ATOM 43 CA ILE A 58 -5.875 4.131 -1.729 1.00 0.00 C ATOM 44 C ILE A 58 -5.068 3.941 -2.966 1.00 0.00 C ATOM 45 O ILE A 58 -5.455 3.189 -3.860 1.00 0.00 O ATOM 46 CB ILE A 58 -5.245 3.301 -0.598 1.00 0.00 C ATOM 47 CG1 ILE A 58 -6.272 2.528 0.237 1.00 0.00 C ATOM 48 CG2 ILE A 58 -4.277 4.117 0.289 1.00 0.00 C ATOM 49 CD1 ILE A 58 -5.649 1.477 1.158 1.00 0.00 C ATOM 0 H ILE A 58 -7.312 2.981 -2.699 1.00 0.00 H new ATOM 0 HA ILE A 58 -5.888 5.155 -1.355 1.00 0.00 H new ATOM 0 HB ILE A 58 -4.641 2.551 -1.108 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -6.843 3.234 0.840 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -6.978 2.038 -0.434 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -3.867 3.474 1.067 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -3.465 4.509 -0.323 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -4.816 4.945 0.749 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -6.436 0.971 1.717 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -5.102 0.748 0.560 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -4.965 1.963 1.854 1.00 0.00 H new ATOM 61 N ARG A 59 -3.924 4.642 -3.067 1.00 0.00 N ATOM 62 CA ARG A 59 -3.139 4.545 -4.255 1.00 0.00 C ATOM 63 C ARG A 59 -1.951 3.718 -3.931 1.00 0.00 C ATOM 64 O ARG A 59 -1.516 3.676 -2.791 1.00 0.00 O ATOM 65 CB ARG A 59 -2.705 5.920 -4.748 1.00 0.00 C ATOM 66 CG ARG A 59 -3.884 6.766 -5.228 1.00 0.00 C ATOM 67 CD ARG A 59 -4.117 8.036 -4.401 1.00 0.00 C ATOM 68 NE ARG A 59 -5.545 8.438 -4.585 1.00 0.00 N ATOM 69 CZ ARG A 59 -6.536 7.827 -3.879 1.00 0.00 C ATOM 70 NH1 ARG A 59 -6.277 7.207 -2.711 1.00 0.00 N ATOM 71 NH2 ARG A 59 -7.834 8.080 -4.168 1.00 0.00 N ATOM 0 H ARG A 59 -3.551 5.260 -2.346 1.00 0.00 H new ATOM 0 HA ARG A 59 -3.727 4.092 -5.053 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -2.188 6.445 -3.944 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -1.991 5.802 -5.563 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -3.717 7.047 -6.268 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -4.788 6.158 -5.204 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -3.903 7.852 -3.348 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -3.449 8.833 -4.727 1.00 0.00 H new ATOM 0 HE ARG A 59 -5.780 9.178 -5.247 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -5.326 7.190 -2.342 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -7.032 6.754 -2.195 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -8.072 8.730 -4.917 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -8.574 7.620 -3.637 1.00 0.00 H new ATOM 85 N VAL A 60 -1.431 3.000 -4.940 1.00 0.00 N ATOM 86 CA VAL A 60 -0.326 2.118 -4.707 1.00 0.00 C ATOM 87 C VAL A 60 0.751 2.493 -5.665 1.00 0.00 C ATOM 88 O VAL A 60 0.607 2.319 -6.873 1.00 0.00 O ATOM 89 CB VAL A 60 -0.650 0.631 -4.892 1.00 0.00 C ATOM 90 CG1 VAL A 60 0.470 -0.299 -4.407 1.00 0.00 C ATOM 91 CG2 VAL A 60 -1.972 0.217 -4.230 1.00 0.00 C ATOM 0 H VAL A 60 -1.767 3.026 -5.903 1.00 0.00 H new ATOM 0 HA VAL A 60 -0.034 2.234 -3.663 1.00 0.00 H new ATOM 0 HB VAL A 60 -0.750 0.514 -5.971 1.00 0.00 H new ATOM 0 HG11 VAL A 60 0.176 -1.336 -4.567 1.00 0.00 H new ATOM 0 HG12 VAL A 60 1.383 -0.090 -4.965 1.00 0.00 H new ATOM 0 HG13 VAL A 60 0.647 -0.132 -3.345 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -2.145 -0.846 -4.396 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -1.920 0.413 -3.159 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -2.791 0.790 -4.664 1.00 0.00 H new ATOM 101 N PHE A 61 1.882 2.966 -5.115 1.00 0.00 N ATOM 102 CA PHE A 61 2.987 3.380 -5.927 1.00 0.00 C ATOM 103 C PHE A 61 4.000 2.283 -5.864 1.00 0.00 C ATOM 104 O PHE A 61 4.212 1.676 -4.813 1.00 0.00 O ATOM 105 CB PHE A 61 3.645 4.661 -5.399 1.00 0.00 C ATOM 106 CG PHE A 61 2.848 5.828 -5.880 1.00 0.00 C ATOM 107 CD1 PHE A 61 1.532 6.014 -5.483 1.00 0.00 C ATOM 108 CD2 PHE A 61 3.450 6.832 -6.648 1.00 0.00 C ATOM 109 CE1 PHE A 61 0.837 7.155 -5.838 1.00 0.00 C ATOM 110 CE2 PHE A 61 2.774 8.000 -6.945 1.00 0.00 C ATOM 111 CZ PHE A 61 1.466 8.164 -6.533 1.00 0.00 C ATOM 0 H PHE A 61 2.033 3.063 -4.111 1.00 0.00 H new ATOM 0 HA PHE A 61 2.631 3.579 -6.938 1.00 0.00 H new ATOM 0 HB2 PHE A 61 3.681 4.649 -4.310 1.00 0.00 H new ATOM 0 HB3 PHE A 61 4.674 4.733 -5.751 1.00 0.00 H new ATOM 0 HD1 PHE A 61 1.043 5.257 -4.888 1.00 0.00 H new ATOM 0 HD2 PHE A 61 4.457 6.692 -7.013 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -0.204 7.256 -5.569 1.00 0.00 H new ATOM 0 HE2 PHE A 61 3.268 8.784 -7.499 1.00 0.00 H new ATOM 0 HZ PHE A 61 0.938 9.080 -6.755 1.00 0.00 H new ATOM 121 N LEU A 62 4.684 2.008 -6.993 1.00 0.00 N ATOM 122 CA LEU A 62 5.529 0.851 -7.039 1.00 0.00 C ATOM 123 C LEU A 62 6.926 1.286 -6.697 1.00 0.00 C ATOM 124 O LEU A 62 7.267 2.469 -6.752 1.00 0.00 O ATOM 125 CB LEU A 62 5.549 0.162 -8.410 1.00 0.00 C ATOM 126 CG LEU A 62 4.349 -0.761 -8.654 1.00 0.00 C ATOM 127 CD1 LEU A 62 4.547 -2.171 -8.090 1.00 0.00 C ATOM 128 CD2 LEU A 62 3.024 -0.185 -8.146 1.00 0.00 C ATOM 0 H LEU A 62 4.656 2.565 -7.847 1.00 0.00 H new ATOM 0 HA LEU A 62 5.133 0.125 -6.329 1.00 0.00 H new ATOM 0 HB2 LEU A 62 5.574 0.924 -9.189 1.00 0.00 H new ATOM 0 HB3 LEU A 62 6.467 -0.418 -8.502 1.00 0.00 H new ATOM 0 HG LEU A 62 4.290 -0.833 -9.740 1.00 0.00 H new ATOM 0 HD11 LEU A 62 3.662 -2.773 -8.296 1.00 0.00 H new ATOM 0 HD12 LEU A 62 5.417 -2.632 -8.559 1.00 0.00 H new ATOM 0 HD13 LEU A 62 4.704 -2.113 -7.013 1.00 0.00 H new ATOM 0 HD21 LEU A 62 2.218 -0.890 -8.351 1.00 0.00 H new ATOM 0 HD22 LEU A 62 3.090 -0.013 -7.072 1.00 0.00 H new ATOM 0 HD23 LEU A 62 2.819 0.758 -8.653 1.00 0.00 H new ATOM 140 N PRO A 63 7.743 0.260 -6.486 1.00 0.00 N ATOM 141 CA PRO A 63 9.101 0.687 -6.228 1.00 0.00 C ATOM 142 C PRO A 63 9.703 0.929 -7.593 1.00 0.00 C ATOM 143 O PRO A 63 10.751 1.558 -7.715 1.00 0.00 O ATOM 144 CB PRO A 63 9.764 -0.509 -5.589 1.00 0.00 C ATOM 145 CG PRO A 63 8.640 -1.337 -4.974 1.00 0.00 C ATOM 146 CD PRO A 63 7.345 -0.821 -5.599 1.00 0.00 C ATOM 0 HA PRO A 63 9.198 1.572 -5.600 1.00 0.00 H new ATOM 0 HB2 PRO A 63 10.316 -1.090 -6.328 1.00 0.00 H new ATOM 0 HB3 PRO A 63 10.480 -0.198 -4.828 1.00 0.00 H new ATOM 0 HG2 PRO A 63 8.778 -2.398 -5.183 1.00 0.00 H new ATOM 0 HG3 PRO A 63 8.621 -1.225 -3.890 1.00 0.00 H new ATOM 0 HD2 PRO A 63 6.833 -1.611 -6.149 1.00 0.00 H new ATOM 0 HD3 PRO A 63 6.655 -0.466 -4.834 1.00 0.00 H new ATOM 154 N ASN A 64 9.017 0.489 -8.672 1.00 0.00 N ATOM 155 CA ASN A 64 9.459 0.816 -9.997 1.00 0.00 C ATOM 156 C ASN A 64 8.793 2.110 -10.396 1.00 0.00 C ATOM 157 O ASN A 64 8.604 2.382 -11.581 1.00 0.00 O ATOM 158 CB ASN A 64 9.230 -0.277 -11.062 1.00 0.00 C ATOM 159 CG ASN A 64 7.833 -0.858 -10.878 1.00 0.00 C ATOM 160 OD1 ASN A 64 7.616 -1.736 -10.043 1.00 0.00 O ATOM 161 ND2 ASN A 64 6.861 -0.371 -11.692 1.00 0.00 N ATOM 0 H ASN A 64 8.173 -0.082 -8.628 1.00 0.00 H new ATOM 0 HA ASN A 64 10.544 0.911 -9.960 1.00 0.00 H new ATOM 0 HB2 ASN A 64 9.335 0.143 -12.062 1.00 0.00 H new ATOM 0 HB3 ASN A 64 9.981 -1.061 -10.965 1.00 0.00 H new ATOM 0 HD21 ASN A 64 5.910 -0.733 -11.624 1.00 0.00 H new ATOM 0 HD22 ASN A 64 7.082 0.357 -12.371 1.00 0.00 H new ATOM 168 N LYS A 65 8.370 2.903 -9.385 1.00 0.00 N ATOM 169 CA LYS A 65 8.034 4.286 -9.595 1.00 0.00 C ATOM 170 C LYS A 65 6.642 4.364 -10.141 1.00 0.00 C ATOM 171 O LYS A 65 6.177 5.436 -10.519 1.00 0.00 O ATOM 172 CB LYS A 65 8.989 5.063 -10.511 1.00 0.00 C ATOM 173 CG LYS A 65 10.468 4.799 -10.213 1.00 0.00 C ATOM 174 CD LYS A 65 11.022 5.641 -9.059 1.00 0.00 C ATOM 175 CE LYS A 65 12.267 5.036 -8.402 1.00 0.00 C ATOM 176 NZ LYS A 65 13.372 5.006 -9.356 1.00 0.00 N ATOM 0 H LYS A 65 8.261 2.586 -8.422 1.00 0.00 H new ATOM 0 HA LYS A 65 8.122 4.767 -8.621 1.00 0.00 H new ATOM 0 HB2 LYS A 65 8.782 4.798 -11.548 1.00 0.00 H new ATOM 0 HB3 LYS A 65 8.790 6.130 -10.409 1.00 0.00 H new ATOM 0 HG2 LYS A 65 10.599 3.743 -9.977 1.00 0.00 H new ATOM 0 HG3 LYS A 65 11.052 5.000 -11.111 1.00 0.00 H new ATOM 0 HD2 LYS A 65 11.265 6.637 -9.430 1.00 0.00 H new ATOM 0 HD3 LYS A 65 10.246 5.763 -8.304 1.00 0.00 H new ATOM 0 HE2 LYS A 65 12.547 5.622 -7.527 1.00 0.00 H new ATOM 0 HE3 LYS A 65 12.050 4.026 -8.053 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 14.234 4.673 -8.878 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 13.138 4.361 -10.138 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 13.532 5.962 -9.732 1.00 0.00 H new ATOM 190 N GLN A 66 5.915 3.230 -10.143 1.00 0.00 N ATOM 191 CA GLN A 66 4.621 3.211 -10.760 1.00 0.00 C ATOM 192 C GLN A 66 3.609 3.648 -9.761 1.00 0.00 C ATOM 193 O GLN A 66 3.944 4.023 -8.644 1.00 0.00 O ATOM 194 CB GLN A 66 4.208 1.863 -11.355 1.00 0.00 C ATOM 195 CG GLN A 66 4.534 1.735 -12.841 1.00 0.00 C ATOM 196 CD GLN A 66 3.488 2.516 -13.627 1.00 0.00 C ATOM 197 OE1 GLN A 66 3.626 3.720 -13.845 1.00 0.00 O ATOM 198 NE2 GLN A 66 2.391 1.827 -14.032 1.00 0.00 N ATOM 0 H GLN A 66 6.212 2.347 -9.729 1.00 0.00 H new ATOM 0 HA GLN A 66 4.678 3.893 -11.608 1.00 0.00 H new ATOM 0 HB2 GLN A 66 4.710 1.064 -10.810 1.00 0.00 H new ATOM 0 HB3 GLN A 66 3.137 1.723 -11.212 1.00 0.00 H new ATOM 0 HG2 GLN A 66 5.532 2.123 -13.046 1.00 0.00 H new ATOM 0 HG3 GLN A 66 4.532 0.687 -13.142 1.00 0.00 H new ATOM 0 HE21 GLN A 66 2.313 0.830 -13.833 1.00 0.00 H new ATOM 0 HE22 GLN A 66 1.645 2.306 -14.536 1.00 0.00 H new ATOM 207 N ARG A 67 2.340 3.684 -10.206 1.00 0.00 N ATOM 208 CA ARG A 67 1.280 4.137 -9.361 1.00 0.00 C ATOM 209 C ARG A 67 0.002 3.579 -9.901 1.00 0.00 C ATOM 210 O ARG A 67 -0.038 3.079 -11.026 1.00 0.00 O ATOM 211 CB ARG A 67 1.159 5.659 -9.285 1.00 0.00 C ATOM 212 CG ARG A 67 1.174 6.353 -10.651 1.00 0.00 C ATOM 213 CD ARG A 67 2.506 7.040 -10.966 1.00 0.00 C ATOM 214 NE ARG A 67 3.086 6.362 -12.164 1.00 0.00 N ATOM 215 CZ ARG A 67 4.201 6.852 -12.770 1.00 0.00 C ATOM 216 NH1 ARG A 67 4.720 8.040 -12.403 1.00 0.00 N ATOM 217 NH2 ARG A 67 4.758 6.173 -13.796 1.00 0.00 N ATOM 0 H ARG A 67 2.050 3.402 -11.142 1.00 0.00 H new ATOM 0 HA ARG A 67 1.495 3.794 -8.349 1.00 0.00 H new ATOM 0 HB2 ARG A 67 0.234 5.915 -8.769 1.00 0.00 H new ATOM 0 HB3 ARG A 67 1.979 6.049 -8.681 1.00 0.00 H new ATOM 0 HG2 ARG A 67 0.960 5.618 -11.427 1.00 0.00 H new ATOM 0 HG3 ARG A 67 0.375 7.093 -10.684 1.00 0.00 H new ATOM 0 HD2 ARG A 67 2.354 8.101 -11.162 1.00 0.00 H new ATOM 0 HD3 ARG A 67 3.186 6.967 -10.117 1.00 0.00 H new ATOM 0 HE ARG A 67 2.641 5.521 -12.532 1.00 0.00 H new ATOM 0 HH11 ARG A 67 4.276 8.583 -11.663 1.00 0.00 H new ATOM 0 HH12 ARG A 67 5.557 8.396 -12.866 1.00 0.00 H new ATOM 0 HH21 ARG A 67 4.343 5.297 -14.113 1.00 0.00 H new ATOM 0 HH22 ARG A 67 5.594 6.536 -14.254 1.00 0.00 H new ATOM 231 N THR A 68 -1.052 3.621 -9.065 1.00 0.00 N ATOM 232 CA THR A 68 -2.356 3.184 -9.472 1.00 0.00 C ATOM 233 C THR A 68 -3.259 3.420 -8.303 1.00 0.00 C ATOM 234 O THR A 68 -2.795 3.789 -7.227 1.00 0.00 O ATOM 235 CB THR A 68 -2.445 1.705 -9.894 1.00 0.00 C ATOM 236 OG1 THR A 68 -3.709 1.433 -10.484 1.00 0.00 O ATOM 237 CG2 THR A 68 -2.182 0.707 -8.756 1.00 0.00 C ATOM 0 H THR A 68 -1.002 3.958 -8.104 1.00 0.00 H new ATOM 0 HA THR A 68 -2.635 3.745 -10.364 1.00 0.00 H new ATOM 0 HB THR A 68 -1.645 1.561 -10.620 1.00 0.00 H new ATOM 0 HG1 THR A 68 -3.750 0.490 -10.749 1.00 0.00 H new ATOM 0 HG21 THR A 68 -2.264 -0.311 -9.138 1.00 0.00 H new ATOM 0 HG22 THR A 68 -1.180 0.865 -8.358 1.00 0.00 H new ATOM 0 HG23 THR A 68 -2.915 0.857 -7.964 1.00 0.00 H new ATOM 245 N VAL A 69 -4.576 3.210 -8.492 1.00 0.00 N ATOM 246 CA VAL A 69 -5.496 3.364 -7.403 1.00 0.00 C ATOM 247 C VAL A 69 -6.183 2.055 -7.214 1.00 0.00 C ATOM 248 O VAL A 69 -6.441 1.326 -8.172 1.00 0.00 O ATOM 249 CB VAL A 69 -6.536 4.473 -7.604 1.00 0.00 C ATOM 250 CG1 VAL A 69 -7.202 4.451 -8.985 1.00 0.00 C ATOM 251 CG2 VAL A 69 -7.578 4.570 -6.472 1.00 0.00 C ATOM 0 H VAL A 69 -4.999 2.939 -9.380 1.00 0.00 H new ATOM 0 HA VAL A 69 -4.924 3.666 -6.525 1.00 0.00 H new ATOM 0 HB VAL A 69 -5.949 5.390 -7.556 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -7.925 5.264 -9.053 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -6.443 4.575 -9.757 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -7.712 3.498 -9.128 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -8.277 5.378 -6.689 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -8.123 3.629 -6.397 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -7.072 4.772 -5.528 1.00 0.00 H new ATOM 261 N VAL A 70 -6.492 1.737 -5.945 1.00 0.00 N ATOM 262 CA VAL A 70 -7.114 0.488 -5.630 1.00 0.00 C ATOM 263 C VAL A 70 -8.166 0.764 -4.604 1.00 0.00 C ATOM 264 O VAL A 70 -8.207 1.842 -4.012 1.00 0.00 O ATOM 265 CB VAL A 70 -6.128 -0.543 -5.064 1.00 0.00 C ATOM 266 CG1 VAL A 70 -5.047 -0.955 -6.068 1.00 0.00 C ATOM 267 CG2 VAL A 70 -5.431 -0.091 -3.768 1.00 0.00 C ATOM 0 H VAL A 70 -6.313 2.339 -5.142 1.00 0.00 H new ATOM 0 HA VAL A 70 -7.524 0.064 -6.547 1.00 0.00 H new ATOM 0 HB VAL A 70 -6.763 -1.400 -4.840 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -4.382 -1.685 -5.607 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -5.516 -1.396 -6.948 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -4.472 -0.077 -6.365 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -4.750 -0.872 -3.430 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -4.869 0.824 -3.957 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -6.180 0.096 -2.998 1.00 0.00 H new ATOM 277 N ASN A 71 -9.038 -0.234 -4.365 1.00 0.00 N ATOM 278 CA ASN A 71 -10.058 -0.097 -3.368 1.00 0.00 C ATOM 279 C ASN A 71 -9.862 -1.220 -2.402 1.00 0.00 C ATOM 280 O ASN A 71 -9.374 -2.289 -2.770 1.00 0.00 O ATOM 281 CB ASN A 71 -11.478 -0.247 -3.943 1.00 0.00 C ATOM 282 CG ASN A 71 -11.804 0.995 -4.761 1.00 0.00 C ATOM 283 OD1 ASN A 71 -12.503 1.894 -4.294 1.00 0.00 O ATOM 284 ND2 ASN A 71 -11.357 1.017 -6.045 1.00 0.00 N ATOM 0 H ASN A 71 -9.038 -1.128 -4.856 1.00 0.00 H new ATOM 0 HA ASN A 71 -9.975 0.895 -2.924 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -11.541 -1.138 -4.567 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -12.202 -0.370 -3.137 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -11.599 1.797 -6.656 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -10.779 0.254 -6.397 1.00 0.00 H new ATOM 291 N VAL A 72 -10.270 -1.015 -1.134 1.00 0.00 N ATOM 292 CA VAL A 72 -10.209 -2.083 -0.177 1.00 0.00 C ATOM 293 C VAL A 72 -11.543 -2.763 -0.189 1.00 0.00 C ATOM 294 O VAL A 72 -12.589 -2.113 -0.223 1.00 0.00 O ATOM 295 CB VAL A 72 -9.838 -1.655 1.252 1.00 0.00 C ATOM 296 CG1 VAL A 72 -10.849 -0.705 1.900 1.00 0.00 C ATOM 297 CG2 VAL A 72 -9.625 -2.831 2.221 1.00 0.00 C ATOM 0 H VAL A 72 -10.634 -0.132 -0.776 1.00 0.00 H new ATOM 0 HA VAL A 72 -9.399 -2.748 -0.475 1.00 0.00 H new ATOM 0 HB VAL A 72 -8.894 -1.132 1.099 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -10.516 -0.450 2.906 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -10.929 0.203 1.303 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -11.823 -1.191 1.953 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -9.366 -2.447 3.208 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -10.541 -3.417 2.288 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -8.816 -3.463 1.854 1.00 0.00 H new ATOM 307 N ARG A 73 -11.523 -4.107 -0.222 1.00 0.00 N ATOM 308 CA ARG A 73 -12.741 -4.859 -0.284 1.00 0.00 C ATOM 309 C ARG A 73 -12.849 -5.615 1.007 1.00 0.00 C ATOM 310 O ARG A 73 -12.037 -5.444 1.917 1.00 0.00 O ATOM 311 CB ARG A 73 -12.725 -5.857 -1.463 1.00 0.00 C ATOM 312 CG ARG A 73 -13.495 -5.391 -2.712 1.00 0.00 C ATOM 313 CD ARG A 73 -14.610 -4.375 -2.436 1.00 0.00 C ATOM 314 NE ARG A 73 -15.582 -5.007 -1.492 1.00 0.00 N ATOM 315 CZ ARG A 73 -16.574 -4.265 -0.928 1.00 0.00 C ATOM 316 NH1 ARG A 73 -16.617 -2.929 -1.096 1.00 0.00 N ATOM 317 NH2 ARG A 73 -17.485 -4.856 -0.124 1.00 0.00 N ATOM 0 H ARG A 73 -10.673 -4.671 -0.206 1.00 0.00 H new ATOM 0 HA ARG A 73 -13.587 -4.188 -0.435 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -11.690 -6.051 -1.743 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -13.147 -6.804 -1.125 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -12.788 -4.951 -3.415 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -13.930 -6.263 -3.200 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -14.197 -3.463 -2.005 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -15.107 -4.093 -3.364 1.00 0.00 H new ATOM 0 HE ARG A 73 -15.501 -5.999 -1.270 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -15.901 -2.462 -1.651 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -17.366 -2.385 -0.668 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -17.429 -5.858 0.060 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -18.229 -4.300 0.299 1.00 0.00 H new ATOM 331 N ASN A 74 -13.854 -6.506 1.107 1.00 0.00 N ATOM 332 CA ASN A 74 -14.102 -7.187 2.347 1.00 0.00 C ATOM 333 C ASN A 74 -13.139 -8.334 2.454 1.00 0.00 C ATOM 334 O ASN A 74 -13.260 -9.343 1.760 1.00 0.00 O ATOM 335 CB ASN A 74 -15.542 -7.701 2.542 1.00 0.00 C ATOM 336 CG ASN A 74 -16.137 -8.039 1.178 1.00 0.00 C ATOM 337 OD1 ASN A 74 -16.970 -7.304 0.647 1.00 0.00 O ATOM 338 ND2 ASN A 74 -15.706 -9.183 0.589 1.00 0.00 N ATOM 0 H ASN A 74 -14.486 -6.754 0.346 1.00 0.00 H new ATOM 0 HA ASN A 74 -13.960 -6.448 3.136 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -15.544 -8.583 3.183 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -16.148 -6.944 3.040 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -16.073 -9.457 -0.322 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -15.015 -9.769 1.057 1.00 0.00 H new ATOM 345 N GLY A 75 -12.158 -8.199 3.367 1.00 0.00 N ATOM 346 CA GLY A 75 -11.312 -9.308 3.705 1.00 0.00 C ATOM 347 C GLY A 75 -9.949 -9.035 3.163 1.00 0.00 C ATOM 348 O GLY A 75 -9.097 -9.921 3.127 1.00 0.00 O ATOM 0 H GLY A 75 -11.951 -7.334 3.867 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -11.272 -9.440 4.786 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -11.710 -10.232 3.285 1.00 0.00 H new ATOM 352 N MET A 76 -9.689 -7.773 2.782 1.00 0.00 N ATOM 353 CA MET A 76 -8.401 -7.425 2.266 1.00 0.00 C ATOM 354 C MET A 76 -7.686 -6.681 3.330 1.00 0.00 C ATOM 355 O MET A 76 -8.290 -6.024 4.178 1.00 0.00 O ATOM 356 CB MET A 76 -8.459 -6.506 1.041 1.00 0.00 C ATOM 357 CG MET A 76 -8.820 -7.241 -0.249 1.00 0.00 C ATOM 358 SD MET A 76 -10.561 -7.773 -0.194 1.00 0.00 S ATOM 359 CE MET A 76 -10.651 -8.739 -1.735 1.00 0.00 C ATOM 0 H MET A 76 -10.357 -7.004 2.829 1.00 0.00 H new ATOM 0 HA MET A 76 -7.910 -8.350 1.965 1.00 0.00 H new ATOM 0 HB2 MET A 76 -9.192 -5.719 1.220 1.00 0.00 H new ATOM 0 HB3 MET A 76 -7.492 -6.019 0.915 1.00 0.00 H new ATOM 0 HG2 MET A 76 -8.657 -6.589 -1.107 1.00 0.00 H new ATOM 0 HG3 MET A 76 -8.170 -8.107 -0.379 1.00 0.00 H new ATOM 0 HE1 MET A 76 -11.667 -9.109 -1.873 1.00 0.00 H new ATOM 0 HE2 MET A 76 -10.378 -8.105 -2.578 1.00 0.00 H new ATOM 0 HE3 MET A 76 -9.962 -9.582 -1.677 1.00 0.00 H new ATOM 369 N SER A 77 -6.346 -6.738 3.287 1.00 0.00 N ATOM 370 CA SER A 77 -5.574 -5.875 4.123 1.00 0.00 C ATOM 371 C SER A 77 -4.192 -5.883 3.622 1.00 0.00 C ATOM 372 O SER A 77 -3.572 -6.941 3.634 1.00 0.00 O ATOM 373 CB SER A 77 -5.497 -6.255 5.585 1.00 0.00 C ATOM 374 OG SER A 77 -6.684 -5.860 6.258 1.00 0.00 O ATOM 0 H SER A 77 -5.807 -7.365 2.690 1.00 0.00 H new ATOM 0 HA SER A 77 -6.079 -4.910 4.078 1.00 0.00 H new ATOM 0 HB2 SER A 77 -5.357 -7.332 5.681 1.00 0.00 H new ATOM 0 HB3 SER A 77 -4.633 -5.778 6.047 1.00 0.00 H new ATOM 0 HG SER A 77 -7.462 -6.081 5.705 1.00 0.00 H new ATOM 380 N LEU A 78 -3.746 -4.676 3.221 1.00 0.00 N ATOM 381 CA LEU A 78 -2.377 -4.414 2.906 1.00 0.00 C ATOM 382 C LEU A 78 -1.875 -5.465 1.965 1.00 0.00 C ATOM 383 O LEU A 78 -2.035 -5.356 0.773 1.00 0.00 O ATOM 384 CB LEU A 78 -1.515 -4.259 4.155 1.00 0.00 C ATOM 385 CG LEU A 78 -1.045 -2.825 4.397 1.00 0.00 C ATOM 386 CD1 LEU A 78 -0.335 -2.204 3.223 1.00 0.00 C ATOM 387 CD2 LEU A 78 -2.173 -1.811 4.494 1.00 0.00 C ATOM 0 H LEU A 78 -4.354 -3.864 3.114 1.00 0.00 H new ATOM 0 HA LEU A 78 -2.306 -3.451 2.401 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -2.081 -4.599 5.022 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -0.644 -4.909 4.069 1.00 0.00 H new ATOM 0 HG LEU A 78 -0.449 -2.971 5.298 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -0.034 -1.187 3.476 1.00 0.00 H new ATOM 0 HD12 LEU A 78 0.548 -2.794 2.979 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -1.005 -2.181 2.363 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -1.756 -0.819 4.666 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -2.742 -1.809 3.564 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -2.831 -2.077 5.321 1.00 0.00 H new ATOM 399 N HIS A 79 -1.303 -6.545 2.517 1.00 0.00 N ATOM 400 CA HIS A 79 -0.730 -7.606 1.730 1.00 0.00 C ATOM 401 C HIS A 79 -1.786 -8.123 0.798 1.00 0.00 C ATOM 402 O HIS A 79 -1.619 -8.077 -0.411 1.00 0.00 O ATOM 403 CB HIS A 79 -0.295 -8.797 2.603 1.00 0.00 C ATOM 404 CG HIS A 79 1.187 -9.026 2.621 1.00 0.00 C ATOM 405 ND1 HIS A 79 1.777 -9.865 3.524 1.00 0.00 N ATOM 406 CD2 HIS A 79 2.187 -8.422 1.946 1.00 0.00 C ATOM 407 CE1 HIS A 79 3.087 -9.711 3.446 1.00 0.00 C ATOM 408 NE2 HIS A 79 3.365 -8.889 2.450 1.00 0.00 N ATOM 0 H HIS A 79 -1.233 -6.692 3.524 1.00 0.00 H new ATOM 0 HA HIS A 79 0.138 -7.202 1.208 1.00 0.00 H new ATOM 0 HB2 HIS A 79 -0.640 -8.632 3.624 1.00 0.00 H new ATOM 0 HB3 HIS A 79 -0.788 -9.699 2.242 1.00 0.00 H new ATOM 0 HD1 HIS A 79 1.288 -10.503 4.152 1.00 0.00 H new ATOM 0 HD2 HIS A 79 2.075 -7.700 1.151 1.00 0.00 H new ATOM 0 HE1 HIS A 79 3.813 -10.181 4.092 1.00 0.00 H new ATOM 417 N ASP A 80 -2.947 -8.527 1.350 1.00 0.00 N ATOM 418 CA ASP A 80 -3.955 -9.163 0.549 1.00 0.00 C ATOM 419 C ASP A 80 -4.790 -8.085 -0.084 1.00 0.00 C ATOM 420 O ASP A 80 -5.771 -8.373 -0.763 1.00 0.00 O ATOM 421 CB ASP A 80 -4.889 -10.046 1.385 1.00 0.00 C ATOM 422 CG ASP A 80 -4.041 -11.084 2.105 1.00 0.00 C ATOM 423 OD1 ASP A 80 -3.396 -10.715 3.123 1.00 0.00 O ATOM 424 OD2 ASP A 80 -4.025 -12.253 1.643 1.00 0.00 O ATOM 0 H ASP A 80 -3.187 -8.417 2.335 1.00 0.00 H new ATOM 0 HA ASP A 80 -3.456 -9.793 -0.187 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -5.442 -9.441 2.104 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -5.625 -10.533 0.746 1.00 0.00 H new ATOM 429 N CYS A 81 -4.415 -6.813 0.146 1.00 0.00 N ATOM 430 CA CYS A 81 -5.144 -5.712 -0.417 1.00 0.00 C ATOM 431 C CYS A 81 -4.292 -5.120 -1.523 1.00 0.00 C ATOM 432 O CYS A 81 -4.788 -4.412 -2.396 1.00 0.00 O ATOM 433 CB CYS A 81 -5.469 -4.640 0.647 1.00 0.00 C ATOM 434 SG CYS A 81 -6.828 -3.577 0.060 1.00 0.00 S ATOM 0 H CYS A 81 -3.613 -6.545 0.717 1.00 0.00 H new ATOM 0 HA CYS A 81 -6.099 -6.064 -0.808 1.00 0.00 H new ATOM 0 HB2 CYS A 81 -5.749 -5.119 1.585 1.00 0.00 H new ATOM 0 HB3 CYS A 81 -4.585 -4.036 0.850 1.00 0.00 H new ATOM 0 HG CYS A 81 -6.698 -3.372 -1.217 1.00 0.00 H new ATOM 440 N LEU A 82 -2.987 -5.463 -1.523 1.00 0.00 N ATOM 441 CA LEU A 82 -2.045 -4.912 -2.462 1.00 0.00 C ATOM 442 C LEU A 82 -1.665 -6.004 -3.374 1.00 0.00 C ATOM 443 O LEU A 82 -1.102 -5.786 -4.437 1.00 0.00 O ATOM 444 CB LEU A 82 -0.732 -4.580 -1.760 1.00 0.00 C ATOM 445 CG LEU A 82 -0.804 -3.354 -0.861 1.00 0.00 C ATOM 446 CD1 LEU A 82 0.222 -2.276 -1.222 1.00 0.00 C ATOM 447 CD2 LEU A 82 -2.169 -2.675 -0.850 1.00 0.00 C ATOM 0 H LEU A 82 -2.579 -6.129 -0.867 1.00 0.00 H new ATOM 0 HA LEU A 82 -2.492 -4.039 -2.937 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -0.424 -5.438 -1.163 1.00 0.00 H new ATOM 0 HB3 LEU A 82 0.041 -4.421 -2.512 1.00 0.00 H new ATOM 0 HG LEU A 82 -0.590 -3.768 0.124 1.00 0.00 H new ATOM 0 HD11 LEU A 82 0.116 -1.430 -0.542 1.00 0.00 H new ATOM 0 HD12 LEU A 82 1.228 -2.687 -1.135 1.00 0.00 H new ATOM 0 HD13 LEU A 82 0.054 -1.942 -2.246 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -2.140 -1.811 -0.187 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -2.422 -2.350 -1.859 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -2.923 -3.379 -0.496 1.00 0.00 H new ATOM 459 N MET A 83 -1.929 -7.229 -2.915 1.00 0.00 N ATOM 460 CA MET A 83 -1.723 -8.411 -3.693 1.00 0.00 C ATOM 461 C MET A 83 -2.657 -8.344 -4.863 1.00 0.00 C ATOM 462 O MET A 83 -2.632 -9.206 -5.724 1.00 0.00 O ATOM 463 CB MET A 83 -2.164 -9.555 -2.787 1.00 0.00 C ATOM 464 CG MET A 83 -2.394 -10.866 -3.520 1.00 0.00 C ATOM 465 SD MET A 83 -2.226 -12.257 -2.356 1.00 0.00 S ATOM 466 CE MET A 83 -0.419 -12.239 -2.122 1.00 0.00 C ATOM 0 H MET A 83 -2.295 -7.410 -1.980 1.00 0.00 H new ATOM 0 HA MET A 83 -0.697 -8.528 -4.040 1.00 0.00 H new ATOM 0 HB2 MET A 83 -1.408 -9.708 -2.017 1.00 0.00 H new ATOM 0 HB3 MET A 83 -3.084 -9.268 -2.278 1.00 0.00 H new ATOM 0 HG2 MET A 83 -3.387 -10.873 -3.970 1.00 0.00 H new ATOM 0 HG3 MET A 83 -1.675 -10.970 -4.333 1.00 0.00 H new ATOM 0 HE1 MET A 83 -0.076 -13.240 -1.861 1.00 0.00 H new ATOM 0 HE2 MET A 83 0.064 -11.919 -3.045 1.00 0.00 H new ATOM 0 HE3 MET A 83 -0.163 -11.547 -1.320 1.00 0.00 H new ATOM 476 N LYS A 84 -3.554 -7.351 -4.817 1.00 0.00 N ATOM 477 CA LYS A 84 -4.339 -6.950 -5.947 1.00 0.00 C ATOM 478 C LYS A 84 -3.457 -6.155 -6.845 1.00 0.00 C ATOM 479 O LYS A 84 -3.367 -6.429 -8.037 1.00 0.00 O ATOM 480 CB LYS A 84 -5.367 -5.912 -5.493 1.00 0.00 C ATOM 481 CG LYS A 84 -6.659 -6.533 -4.998 1.00 0.00 C ATOM 482 CD LYS A 84 -6.442 -7.583 -3.906 1.00 0.00 C ATOM 483 CE LYS A 84 -7.722 -8.321 -3.507 1.00 0.00 C ATOM 484 NZ LYS A 84 -7.396 -9.438 -2.626 1.00 0.00 N ATOM 0 H LYS A 84 -3.743 -6.809 -3.974 1.00 0.00 H new ATOM 0 HA LYS A 84 -4.783 -7.834 -6.404 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -4.935 -5.305 -4.698 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -5.588 -5.241 -6.323 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -7.309 -5.747 -4.613 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -7.179 -6.994 -5.838 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -5.706 -8.309 -4.252 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -6.022 -7.098 -3.025 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -8.405 -7.637 -3.004 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -8.235 -8.686 -4.397 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -8.218 -10.071 -2.549 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -6.589 -9.965 -3.017 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -7.148 -9.076 -1.683 1.00 0.00 H new ATOM 498 N ALA A 85 -2.859 -5.114 -6.247 1.00 0.00 N ATOM 499 CA ALA A 85 -2.268 -4.024 -6.988 1.00 0.00 C ATOM 500 C ALA A 85 -1.007 -4.494 -7.641 1.00 0.00 C ATOM 501 O ALA A 85 -0.504 -3.845 -8.551 1.00 0.00 O ATOM 502 CB ALA A 85 -1.834 -3.071 -5.858 1.00 0.00 C ATOM 0 H ALA A 85 -2.779 -5.018 -5.235 1.00 0.00 H new ATOM 0 HA ALA A 85 -2.934 -3.605 -7.742 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -1.363 -2.187 -6.288 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -2.708 -2.771 -5.279 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -1.124 -3.580 -5.206 1.00 0.00 H new ATOM 508 N LEU A 86 -0.397 -5.553 -7.092 1.00 0.00 N ATOM 509 CA LEU A 86 0.892 -5.990 -7.547 1.00 0.00 C ATOM 510 C LEU A 86 0.671 -7.230 -8.297 1.00 0.00 C ATOM 511 O LEU A 86 1.542 -7.688 -9.016 1.00 0.00 O ATOM 512 CB LEU A 86 1.700 -6.372 -6.329 1.00 0.00 C ATOM 513 CG LEU A 86 1.822 -5.219 -5.340 1.00 0.00 C ATOM 514 CD1 LEU A 86 1.798 -5.668 -3.917 1.00 0.00 C ATOM 515 CD2 LEU A 86 2.822 -4.157 -5.770 1.00 0.00 C ATOM 0 H LEU A 86 -0.790 -6.110 -6.334 1.00 0.00 H new ATOM 0 HA LEU A 86 1.389 -5.222 -8.139 1.00 0.00 H new ATOM 0 HB2 LEU A 86 1.232 -7.224 -5.836 1.00 0.00 H new ATOM 0 HB3 LEU A 86 2.695 -6.690 -6.639 1.00 0.00 H new ATOM 0 HG LEU A 86 0.904 -4.632 -5.376 1.00 0.00 H new ATOM 0 HD11 LEU A 86 1.888 -4.802 -3.261 1.00 0.00 H new ATOM 0 HD12 LEU A 86 0.858 -6.181 -3.713 1.00 0.00 H new ATOM 0 HD13 LEU A 86 2.630 -6.349 -3.736 1.00 0.00 H new ATOM 0 HD21 LEU A 86 2.858 -3.367 -5.020 1.00 0.00 H new ATOM 0 HD22 LEU A 86 3.810 -4.607 -5.871 1.00 0.00 H new ATOM 0 HD23 LEU A 86 2.516 -3.735 -6.727 1.00 0.00 H new ATOM 527 N LYS A 87 -0.493 -7.839 -8.045 1.00 0.00 N ATOM 528 CA LYS A 87 -0.932 -8.973 -8.813 1.00 0.00 C ATOM 529 C LYS A 87 -0.970 -8.566 -10.257 1.00 0.00 C ATOM 530 O LYS A 87 -0.505 -9.296 -11.130 1.00 0.00 O ATOM 531 CB LYS A 87 -2.388 -9.298 -8.486 1.00 0.00 C ATOM 532 CG LYS A 87 -2.650 -10.783 -8.274 1.00 0.00 C ATOM 533 CD LYS A 87 -3.346 -11.448 -9.465 1.00 0.00 C ATOM 534 CE LYS A 87 -4.868 -11.540 -9.315 1.00 0.00 C ATOM 535 NZ LYS A 87 -5.456 -10.205 -9.344 1.00 0.00 N ATOM 0 H LYS A 87 -1.139 -7.552 -7.309 1.00 0.00 H new ATOM 0 HA LYS A 87 -0.266 -9.810 -8.601 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -2.679 -8.755 -7.587 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -3.022 -8.938 -9.296 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -1.703 -11.289 -8.086 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -3.264 -10.914 -7.383 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -3.112 -10.888 -10.370 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -2.941 -12.451 -9.597 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -5.284 -12.147 -10.119 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -5.120 -12.036 -8.378 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -6.488 -10.278 -9.242 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -5.070 -9.638 -8.562 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -5.230 -9.746 -10.249 1.00 0.00 H new ATOM 549 N VAL A 88 -1.578 -7.390 -10.505 1.00 0.00 N ATOM 550 CA VAL A 88 -1.775 -6.889 -11.841 1.00 0.00 C ATOM 551 C VAL A 88 -0.425 -6.645 -12.458 1.00 0.00 C ATOM 552 O VAL A 88 -0.267 -6.669 -13.677 1.00 0.00 O ATOM 553 CB VAL A 88 -2.605 -5.586 -11.844 1.00 0.00 C ATOM 554 CG1 VAL A 88 -2.512 -4.777 -10.549 1.00 0.00 C ATOM 555 CG2 VAL A 88 -2.188 -4.525 -12.870 1.00 0.00 C ATOM 0 H VAL A 88 -1.938 -6.777 -9.774 1.00 0.00 H new ATOM 0 HA VAL A 88 -2.332 -7.626 -12.419 1.00 0.00 H new ATOM 0 HB VAL A 88 -3.588 -6.012 -12.047 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -3.124 -3.879 -10.636 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -2.871 -5.381 -9.716 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -1.475 -4.493 -10.371 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -2.840 -3.656 -12.780 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -1.156 -4.226 -12.685 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -2.271 -4.938 -13.875 1.00 0.00 H new ATOM 565 N ARG A 89 0.581 -6.426 -11.599 1.00 0.00 N ATOM 566 CA ARG A 89 1.899 -6.093 -12.053 1.00 0.00 C ATOM 567 C ARG A 89 2.648 -7.376 -12.255 1.00 0.00 C ATOM 568 O ARG A 89 3.346 -7.551 -13.251 1.00 0.00 O ATOM 569 CB ARG A 89 2.649 -5.274 -10.996 1.00 0.00 C ATOM 570 CG ARG A 89 1.817 -4.137 -10.409 1.00 0.00 C ATOM 571 CD ARG A 89 1.573 -2.983 -11.385 1.00 0.00 C ATOM 572 NE ARG A 89 1.150 -1.805 -10.574 1.00 0.00 N ATOM 573 CZ ARG A 89 0.911 -0.603 -11.165 1.00 0.00 C ATOM 574 NH1 ARG A 89 0.930 -0.478 -12.505 1.00 0.00 N ATOM 575 NH2 ARG A 89 0.563 0.460 -10.410 1.00 0.00 N ATOM 0 H ARG A 89 0.485 -6.479 -10.585 1.00 0.00 H new ATOM 0 HA ARG A 89 1.826 -5.510 -12.971 1.00 0.00 H new ATOM 0 HB2 ARG A 89 2.965 -5.937 -10.190 1.00 0.00 H new ATOM 0 HB3 ARG A 89 3.553 -4.860 -11.442 1.00 0.00 H new ATOM 0 HG2 ARG A 89 0.856 -4.534 -10.082 1.00 0.00 H new ATOM 0 HG3 ARG A 89 2.320 -3.751 -9.523 1.00 0.00 H new ATOM 0 HD2 ARG A 89 2.478 -2.757 -11.949 1.00 0.00 H new ATOM 0 HD3 ARG A 89 0.803 -3.248 -12.110 1.00 0.00 H new ATOM 0 HE ARG A 89 1.039 -1.902 -9.565 1.00 0.00 H new ATOM 0 HH11 ARG A 89 1.125 -1.290 -13.090 1.00 0.00 H new ATOM 0 HH12 ARG A 89 0.749 0.429 -12.935 1.00 0.00 H new ATOM 0 HH21 ARG A 89 0.480 0.361 -9.398 1.00 0.00 H new ATOM 0 HH22 ARG A 89 0.383 1.362 -10.851 1.00 0.00 H new ATOM 589 N GLY A 90 2.541 -8.281 -11.266 1.00 0.00 N ATOM 590 CA GLY A 90 3.301 -9.498 -11.282 1.00 0.00 C ATOM 591 C GLY A 90 4.380 -9.350 -10.257 1.00 0.00 C ATOM 592 O GLY A 90 5.474 -9.887 -10.410 1.00 0.00 O ATOM 0 H GLY A 90 1.931 -8.173 -10.456 1.00 0.00 H new ATOM 0 HA2 GLY A 90 2.665 -10.353 -11.053 1.00 0.00 H new ATOM 0 HA3 GLY A 90 3.728 -9.674 -12.269 1.00 0.00 H new ATOM 596 N LEU A 91 4.082 -8.600 -9.176 1.00 0.00 N ATOM 597 CA LEU A 91 5.090 -8.270 -8.211 1.00 0.00 C ATOM 598 C LEU A 91 4.749 -8.994 -6.943 1.00 0.00 C ATOM 599 O LEU A 91 3.647 -9.519 -6.784 1.00 0.00 O ATOM 600 CB LEU A 91 5.114 -6.766 -7.887 1.00 0.00 C ATOM 601 CG LEU A 91 5.837 -5.899 -8.928 1.00 0.00 C ATOM 602 CD1 LEU A 91 6.930 -5.010 -8.318 1.00 0.00 C ATOM 603 CD2 LEU A 91 6.423 -6.685 -10.106 1.00 0.00 C ATOM 0 H LEU A 91 3.155 -8.226 -8.972 1.00 0.00 H new ATOM 0 HA LEU A 91 6.061 -8.551 -8.618 1.00 0.00 H new ATOM 0 HB2 LEU A 91 4.088 -6.412 -7.789 1.00 0.00 H new ATOM 0 HB3 LEU A 91 5.594 -6.624 -6.919 1.00 0.00 H new ATOM 0 HG LEU A 91 5.042 -5.264 -9.319 1.00 0.00 H new ATOM 0 HD11 LEU A 91 7.403 -4.423 -9.105 1.00 0.00 H new ATOM 0 HD12 LEU A 91 6.485 -4.340 -7.582 1.00 0.00 H new ATOM 0 HD13 LEU A 91 7.679 -5.636 -7.833 1.00 0.00 H new ATOM 0 HD21 LEU A 91 6.915 -5.997 -10.793 1.00 0.00 H new ATOM 0 HD22 LEU A 91 7.149 -7.409 -9.735 1.00 0.00 H new ATOM 0 HD23 LEU A 91 5.622 -7.209 -10.628 1.00 0.00 H new ATOM 615 N GLN A 92 5.691 -8.980 -5.978 1.00 0.00 N ATOM 616 CA GLN A 92 5.478 -9.657 -4.732 1.00 0.00 C ATOM 617 C GLN A 92 5.433 -8.607 -3.655 1.00 0.00 C ATOM 618 O GLN A 92 6.318 -7.754 -3.555 1.00 0.00 O ATOM 619 CB GLN A 92 6.611 -10.636 -4.394 1.00 0.00 C ATOM 620 CG GLN A 92 6.637 -11.872 -5.304 1.00 0.00 C ATOM 621 CD GLN A 92 7.279 -13.024 -4.536 1.00 0.00 C ATOM 622 OE1 GLN A 92 8.503 -13.153 -4.498 1.00 0.00 O ATOM 623 NE2 GLN A 92 6.450 -13.921 -3.919 1.00 0.00 N ATOM 0 H GLN A 92 6.590 -8.506 -6.058 1.00 0.00 H new ATOM 0 HA GLN A 92 4.554 -10.231 -4.804 1.00 0.00 H new ATOM 0 HB2 GLN A 92 7.566 -10.116 -4.471 1.00 0.00 H new ATOM 0 HB3 GLN A 92 6.506 -10.958 -3.358 1.00 0.00 H new ATOM 0 HG2 GLN A 92 5.625 -12.138 -5.611 1.00 0.00 H new ATOM 0 HG3 GLN A 92 7.201 -11.662 -6.213 1.00 0.00 H new ATOM 0 HE21 GLN A 92 5.439 -13.795 -3.963 1.00 0.00 H new ATOM 0 HE22 GLN A 92 6.843 -14.716 -3.415 1.00 0.00 H new ATOM 632 N PRO A 93 4.448 -8.789 -2.786 1.00 0.00 N ATOM 633 CA PRO A 93 4.433 -7.756 -1.772 1.00 0.00 C ATOM 634 C PRO A 93 5.174 -8.354 -0.603 1.00 0.00 C ATOM 635 O PRO A 93 5.622 -7.639 0.289 1.00 0.00 O ATOM 636 CB PRO A 93 2.981 -7.591 -1.366 1.00 0.00 C ATOM 637 CG PRO A 93 2.222 -8.759 -1.987 1.00 0.00 C ATOM 638 CD PRO A 93 3.123 -9.297 -3.090 1.00 0.00 C ATOM 0 HA PRO A 93 4.864 -6.809 -2.096 1.00 0.00 H new ATOM 0 HB2 PRO A 93 2.879 -7.595 -0.281 1.00 0.00 H new ATOM 0 HB3 PRO A 93 2.585 -6.639 -1.720 1.00 0.00 H new ATOM 0 HG2 PRO A 93 2.011 -9.528 -1.244 1.00 0.00 H new ATOM 0 HG3 PRO A 93 1.263 -8.433 -2.389 1.00 0.00 H new ATOM 0 HD2 PRO A 93 3.114 -10.387 -3.108 1.00 0.00 H new ATOM 0 HD3 PRO A 93 2.788 -8.959 -4.071 1.00 0.00 H new ATOM 646 N GLU A 94 5.372 -9.690 -0.598 1.00 0.00 N ATOM 647 CA GLU A 94 5.904 -10.350 0.564 1.00 0.00 C ATOM 648 C GLU A 94 7.373 -10.046 0.649 1.00 0.00 C ATOM 649 O GLU A 94 8.004 -10.273 1.680 1.00 0.00 O ATOM 650 CB GLU A 94 5.758 -11.880 0.526 1.00 0.00 C ATOM 651 CG GLU A 94 4.351 -12.358 0.146 1.00 0.00 C ATOM 652 CD GLU A 94 4.348 -12.700 -1.339 1.00 0.00 C ATOM 653 OE1 GLU A 94 4.629 -11.785 -2.158 1.00 0.00 O ATOM 654 OE2 GLU A 94 4.106 -13.888 -1.676 1.00 0.00 O ATOM 0 H GLU A 94 5.168 -10.306 -1.385 1.00 0.00 H new ATOM 0 HA GLU A 94 5.338 -9.982 1.420 1.00 0.00 H new ATOM 0 HB2 GLU A 94 6.475 -12.286 -0.187 1.00 0.00 H new ATOM 0 HB3 GLU A 94 6.017 -12.285 1.504 1.00 0.00 H new ATOM 0 HG2 GLU A 94 4.074 -13.231 0.737 1.00 0.00 H new ATOM 0 HG3 GLU A 94 3.616 -11.582 0.359 1.00 0.00 H new ATOM 661 N CYS A 95 7.950 -9.505 -0.441 1.00 0.00 N ATOM 662 CA CYS A 95 9.371 -9.334 -0.500 1.00 0.00 C ATOM 663 C CYS A 95 9.659 -7.861 -0.447 1.00 0.00 C ATOM 664 O CYS A 95 10.764 -7.423 -0.766 1.00 0.00 O ATOM 665 CB CYS A 95 9.947 -9.870 -1.813 1.00 0.00 C ATOM 666 SG CYS A 95 9.858 -11.690 -1.820 1.00 0.00 S ATOM 0 H CYS A 95 7.443 -9.191 -1.269 1.00 0.00 H new ATOM 0 HA CYS A 95 9.822 -9.877 0.330 1.00 0.00 H new ATOM 0 HB2 CYS A 95 9.391 -9.465 -2.658 1.00 0.00 H new ATOM 0 HB3 CYS A 95 10.981 -9.546 -1.928 1.00 0.00 H new ATOM 0 HG CYS A 95 9.325 -12.094 -2.935 1.00 0.00 H new ATOM 672 N CYS A 96 8.677 -7.052 -0.004 1.00 0.00 N ATOM 673 CA CYS A 96 8.834 -5.630 -0.072 1.00 0.00 C ATOM 674 C CYS A 96 8.365 -5.051 1.232 1.00 0.00 C ATOM 675 O CYS A 96 7.807 -5.753 2.075 1.00 0.00 O ATOM 676 CB CYS A 96 7.947 -5.034 -1.173 1.00 0.00 C ATOM 677 SG CYS A 96 8.578 -5.525 -2.812 1.00 0.00 S ATOM 0 H CYS A 96 7.794 -7.373 0.393 1.00 0.00 H new ATOM 0 HA CYS A 96 9.879 -5.401 -0.279 1.00 0.00 H new ATOM 0 HB2 CYS A 96 6.920 -5.378 -1.051 1.00 0.00 H new ATOM 0 HB3 CYS A 96 7.931 -3.947 -1.091 1.00 0.00 H new ATOM 0 HG CYS A 96 7.794 -6.426 -3.327 1.00 0.00 H new ATOM 683 N ALA A 97 8.575 -3.727 1.398 1.00 0.00 N ATOM 684 CA ALA A 97 8.049 -3.021 2.532 1.00 0.00 C ATOM 685 C ALA A 97 7.124 -1.982 1.991 1.00 0.00 C ATOM 686 O ALA A 97 7.453 -1.271 1.051 1.00 0.00 O ATOM 687 CB ALA A 97 9.083 -2.294 3.409 1.00 0.00 C ATOM 0 H ALA A 97 9.107 -3.148 0.749 1.00 0.00 H new ATOM 0 HA ALA A 97 7.586 -3.769 3.176 1.00 0.00 H new ATOM 0 HB1 ALA A 97 8.574 -1.796 4.234 1.00 0.00 H new ATOM 0 HB2 ALA A 97 9.796 -3.017 3.806 1.00 0.00 H new ATOM 0 HB3 ALA A 97 9.612 -1.553 2.809 1.00 0.00 H new ATOM 693 N VAL A 98 5.944 -1.848 2.615 1.00 0.00 N ATOM 694 CA VAL A 98 4.962 -0.923 2.138 1.00 0.00 C ATOM 695 C VAL A 98 4.900 0.207 3.120 1.00 0.00 C ATOM 696 O VAL A 98 5.201 0.048 4.305 1.00 0.00 O ATOM 697 CB VAL A 98 3.587 -1.587 2.031 1.00 0.00 C ATOM 698 CG1 VAL A 98 3.175 -2.327 3.300 1.00 0.00 C ATOM 699 CG2 VAL A 98 2.471 -0.648 1.583 1.00 0.00 C ATOM 0 H VAL A 98 5.668 -2.375 3.444 1.00 0.00 H new ATOM 0 HA VAL A 98 5.236 -0.570 1.144 1.00 0.00 H new ATOM 0 HB VAL A 98 3.722 -2.323 1.238 1.00 0.00 H new ATOM 0 HG11 VAL A 98 2.191 -2.774 3.157 1.00 0.00 H new ATOM 0 HG12 VAL A 98 3.902 -3.110 3.517 1.00 0.00 H new ATOM 0 HG13 VAL A 98 3.137 -1.626 4.134 1.00 0.00 H new ATOM 0 HG21 VAL A 98 1.531 -1.198 1.533 1.00 0.00 H new ATOM 0 HG22 VAL A 98 2.376 0.170 2.297 1.00 0.00 H new ATOM 0 HG23 VAL A 98 2.708 -0.245 0.598 1.00 0.00 H new ATOM 709 N PHE A 99 4.478 1.389 2.634 1.00 0.00 N ATOM 710 CA PHE A 99 4.595 2.583 3.414 1.00 0.00 C ATOM 711 C PHE A 99 3.437 3.454 3.073 1.00 0.00 C ATOM 712 O PHE A 99 2.821 3.317 2.015 1.00 0.00 O ATOM 713 CB PHE A 99 5.814 3.420 3.005 1.00 0.00 C ATOM 714 CG PHE A 99 7.034 2.748 3.526 1.00 0.00 C ATOM 715 CD1 PHE A 99 7.650 1.737 2.809 1.00 0.00 C ATOM 716 CD2 PHE A 99 7.686 3.217 4.671 1.00 0.00 C ATOM 717 CE1 PHE A 99 8.965 1.410 3.055 1.00 0.00 C ATOM 718 CE2 PHE A 99 8.963 2.823 4.966 1.00 0.00 C ATOM 719 CZ PHE A 99 9.641 2.033 4.079 1.00 0.00 C ATOM 0 H PHE A 99 4.061 1.518 1.712 1.00 0.00 H new ATOM 0 HA PHE A 99 4.660 2.285 4.460 1.00 0.00 H new ATOM 0 HB2 PHE A 99 5.865 3.513 1.920 1.00 0.00 H new ATOM 0 HB3 PHE A 99 5.735 4.430 3.408 1.00 0.00 H new ATOM 0 HD1 PHE A 99 7.096 1.201 2.052 1.00 0.00 H new ATOM 0 HD2 PHE A 99 7.174 3.900 5.332 1.00 0.00 H new ATOM 0 HE1 PHE A 99 9.463 0.669 2.448 1.00 0.00 H new ATOM 0 HE2 PHE A 99 9.430 3.133 5.889 1.00 0.00 H new ATOM 0 HZ PHE A 99 10.708 1.898 4.182 1.00 0.00 H new ATOM 729 N ARG A 100 3.195 4.445 3.948 1.00 0.00 N ATOM 730 CA ARG A 100 2.479 5.616 3.551 1.00 0.00 C ATOM 731 C ARG A 100 3.515 6.604 3.113 1.00 0.00 C ATOM 732 O ARG A 100 4.613 6.656 3.669 1.00 0.00 O ATOM 733 CB ARG A 100 1.717 6.256 4.708 1.00 0.00 C ATOM 734 CG ARG A 100 0.293 5.719 4.868 1.00 0.00 C ATOM 735 CD ARG A 100 -0.244 5.820 6.300 1.00 0.00 C ATOM 736 NE ARG A 100 -1.064 7.067 6.404 1.00 0.00 N ATOM 737 CZ ARG A 100 -0.474 8.284 6.568 1.00 0.00 C ATOM 738 NH1 ARG A 100 0.851 8.391 6.776 1.00 0.00 N ATOM 739 NH2 ARG A 100 -1.235 9.402 6.616 1.00 0.00 N ATOM 0 H ARG A 100 3.493 4.436 4.924 1.00 0.00 H new ATOM 0 HA ARG A 100 1.758 5.346 2.779 1.00 0.00 H new ATOM 0 HB2 ARG A 100 2.267 6.087 5.634 1.00 0.00 H new ATOM 0 HB3 ARG A 100 1.676 7.334 4.554 1.00 0.00 H new ATOM 0 HG2 ARG A 100 -0.371 6.269 4.200 1.00 0.00 H new ATOM 0 HG3 ARG A 100 0.270 4.676 4.553 1.00 0.00 H new ATOM 0 HD2 ARG A 100 -0.849 4.946 6.542 1.00 0.00 H new ATOM 0 HD3 ARG A 100 0.579 5.846 7.014 1.00 0.00 H new ATOM 0 HE ARG A 100 -2.081 7.005 6.351 1.00 0.00 H new ATOM 0 HH11 ARG A 100 1.431 7.553 6.813 1.00 0.00 H new ATOM 0 HH12 ARG A 100 1.276 9.311 6.897 1.00 0.00 H new ATOM 0 HH21 ARG A 100 -2.249 9.333 6.529 1.00 0.00 H new ATOM 0 HH22 ARG A 100 -0.795 10.314 6.739 1.00 0.00 H new ATOM 753 N LEU A 101 3.169 7.452 2.130 1.00 0.00 N ATOM 754 CA LEU A 101 4.098 8.429 1.645 1.00 0.00 C ATOM 755 C LEU A 101 4.141 9.541 2.650 1.00 0.00 C ATOM 756 O LEU A 101 3.494 9.494 3.698 1.00 0.00 O ATOM 757 CB LEU A 101 3.626 9.021 0.306 1.00 0.00 C ATOM 758 CG LEU A 101 3.798 8.066 -0.877 1.00 0.00 C ATOM 759 CD1 LEU A 101 2.865 6.862 -0.815 1.00 0.00 C ATOM 760 CD2 LEU A 101 3.574 8.737 -2.238 1.00 0.00 C ATOM 0 H LEU A 101 2.257 7.464 1.673 1.00 0.00 H new ATOM 0 HA LEU A 101 5.072 7.962 1.500 1.00 0.00 H new ATOM 0 HB2 LEU A 101 2.575 9.297 0.390 1.00 0.00 H new ATOM 0 HB3 LEU A 101 4.181 9.937 0.107 1.00 0.00 H new ATOM 0 HG LEU A 101 4.835 7.742 -0.789 1.00 0.00 H new ATOM 0 HD11 LEU A 101 3.036 6.224 -1.682 1.00 0.00 H new ATOM 0 HD12 LEU A 101 3.061 6.297 0.096 1.00 0.00 H new ATOM 0 HD13 LEU A 101 1.830 7.203 -0.815 1.00 0.00 H new ATOM 0 HD21 LEU A 101 3.712 8.003 -3.032 1.00 0.00 H new ATOM 0 HD22 LEU A 101 2.561 9.136 -2.284 1.00 0.00 H new ATOM 0 HD23 LEU A 101 4.290 9.549 -2.366 1.00 0.00 H new ATOM 772 N LEU A 102 4.902 10.604 2.332 1.00 0.00 N ATOM 773 CA LEU A 102 5.100 11.662 3.269 1.00 0.00 C ATOM 774 C LEU A 102 3.956 12.622 3.135 1.00 0.00 C ATOM 775 O LEU A 102 4.094 13.724 2.607 1.00 0.00 O ATOM 776 CB LEU A 102 6.452 12.358 3.105 1.00 0.00 C ATOM 777 CG LEU A 102 7.032 12.257 1.691 1.00 0.00 C ATOM 778 CD1 LEU A 102 6.107 12.846 0.626 1.00 0.00 C ATOM 779 CD2 LEU A 102 8.434 12.860 1.572 1.00 0.00 C ATOM 0 H LEU A 102 5.374 10.729 1.437 1.00 0.00 H new ATOM 0 HA LEU A 102 5.121 11.244 4.276 1.00 0.00 H new ATOM 0 HB2 LEU A 102 6.343 13.410 3.369 1.00 0.00 H new ATOM 0 HB3 LEU A 102 7.161 11.925 3.810 1.00 0.00 H new ATOM 0 HG LEU A 102 7.118 11.187 1.503 1.00 0.00 H new ATOM 0 HD11 LEU A 102 6.571 12.746 -0.355 1.00 0.00 H new ATOM 0 HD12 LEU A 102 5.157 12.312 0.634 1.00 0.00 H new ATOM 0 HD13 LEU A 102 5.932 13.901 0.839 1.00 0.00 H new ATOM 0 HD21 LEU A 102 8.789 12.757 0.546 1.00 0.00 H new ATOM 0 HD22 LEU A 102 8.400 13.916 1.840 1.00 0.00 H new ATOM 0 HD23 LEU A 102 9.113 12.337 2.245 1.00 0.00 H new ATOM 791 N HIS A 103 2.791 12.236 3.693 1.00 0.00 N ATOM 792 CA HIS A 103 1.671 13.127 3.749 1.00 0.00 C ATOM 793 C HIS A 103 1.804 13.916 5.016 1.00 0.00 C ATOM 794 O HIS A 103 1.178 14.961 5.184 1.00 0.00 O ATOM 795 CB HIS A 103 0.320 12.392 3.773 1.00 0.00 C ATOM 796 CG HIS A 103 -0.052 11.803 2.443 1.00 0.00 C ATOM 797 ND1 HIS A 103 -1.223 11.116 2.249 1.00 0.00 N ATOM 798 CD2 HIS A 103 0.507 11.971 1.224 1.00 0.00 C ATOM 799 CE1 HIS A 103 -1.368 10.889 0.954 1.00 0.00 C ATOM 800 NE2 HIS A 103 -0.329 11.390 0.311 1.00 0.00 N ATOM 0 H HIS A 103 2.626 11.316 4.101 1.00 0.00 H new ATOM 0 HA HIS A 103 1.679 13.751 2.855 1.00 0.00 H new ATOM 0 HB2 HIS A 103 0.358 11.597 4.518 1.00 0.00 H new ATOM 0 HB3 HIS A 103 -0.459 13.086 4.087 1.00 0.00 H new ATOM 0 HD2 HIS A 103 1.440 12.471 1.011 1.00 0.00 H new ATOM 0 HE1 HIS A 103 -2.201 10.377 0.496 1.00 0.00 H new ATOM 0 HE2 HIS A 103 -0.176 11.350 -0.697 1.00 0.00 H new ATOM 809 N GLU A 104 2.655 13.429 5.940 1.00 0.00 N ATOM 810 CA GLU A 104 2.878 14.134 7.166 1.00 0.00 C ATOM 811 C GLU A 104 4.276 13.824 7.625 1.00 0.00 C ATOM 812 O GLU A 104 4.542 13.689 8.819 1.00 0.00 O ATOM 813 CB GLU A 104 1.847 13.863 8.270 1.00 0.00 C ATOM 814 CG GLU A 104 1.767 12.397 8.707 1.00 0.00 C ATOM 815 CD GLU A 104 1.082 11.595 7.606 1.00 0.00 C ATOM 816 OE1 GLU A 104 -0.160 11.731 7.439 1.00 0.00 O ATOM 817 OE2 GLU A 104 1.772 10.767 6.951 1.00 0.00 O ATOM 0 H GLU A 104 3.181 12.561 5.841 1.00 0.00 H new ATOM 0 HA GLU A 104 2.754 15.197 6.961 1.00 0.00 H new ATOM 0 HB2 GLU A 104 2.090 14.476 9.138 1.00 0.00 H new ATOM 0 HB3 GLU A 104 0.865 14.181 7.920 1.00 0.00 H new ATOM 0 HG2 GLU A 104 2.766 12.004 8.895 1.00 0.00 H new ATOM 0 HG3 GLU A 104 1.210 12.311 9.640 1.00 0.00 H new ATOM 824 N HIS A 105 5.209 13.671 6.662 1.00 0.00 N ATOM 825 CA HIS A 105 6.595 13.512 7.003 1.00 0.00 C ATOM 826 C HIS A 105 7.376 14.298 6.002 1.00 0.00 C ATOM 827 O HIS A 105 6.810 14.895 5.089 1.00 0.00 O ATOM 828 CB HIS A 105 7.136 12.063 6.977 1.00 0.00 C ATOM 829 CG HIS A 105 6.062 11.017 6.946 1.00 0.00 C ATOM 830 ND1 HIS A 105 5.145 10.873 7.948 1.00 0.00 N ATOM 831 CD2 HIS A 105 5.775 10.096 6.008 1.00 0.00 C ATOM 832 CE1 HIS A 105 4.273 9.947 7.580 1.00 0.00 C ATOM 833 NE2 HIS A 105 4.621 9.476 6.392 1.00 0.00 N ATOM 0 H HIS A 105 5.009 13.657 5.662 1.00 0.00 H new ATOM 0 HA HIS A 105 6.698 13.847 8.035 1.00 0.00 H new ATOM 0 HB2 HIS A 105 7.776 11.940 6.103 1.00 0.00 H new ATOM 0 HB3 HIS A 105 7.761 11.903 7.855 1.00 0.00 H new ATOM 0 HD2 HIS A 105 6.350 9.887 5.118 1.00 0.00 H new ATOM 0 HE1 HIS A 105 3.417 9.628 8.155 1.00 0.00 H new ATOM 0 HE2 HIS A 105 4.114 8.771 5.856 1.00 0.00 H new ATOM 842 N LYS A 106 8.713 14.313 6.157 1.00 0.00 N ATOM 843 CA LYS A 106 9.545 14.934 5.178 1.00 0.00 C ATOM 844 C LYS A 106 10.704 14.021 4.952 1.00 0.00 C ATOM 845 O LYS A 106 11.318 13.532 5.898 1.00 0.00 O ATOM 846 CB LYS A 106 10.100 16.268 5.672 1.00 0.00 C ATOM 847 CG LYS A 106 9.093 17.418 5.584 1.00 0.00 C ATOM 848 CD LYS A 106 8.328 17.662 6.889 1.00 0.00 C ATOM 849 CE LYS A 106 7.030 18.453 6.698 1.00 0.00 C ATOM 850 NZ LYS A 106 7.334 19.832 6.325 1.00 0.00 N ATOM 0 H LYS A 106 9.210 13.902 6.947 1.00 0.00 H new ATOM 0 HA LYS A 106 8.960 15.116 4.276 1.00 0.00 H new ATOM 0 HB2 LYS A 106 10.423 16.157 6.707 1.00 0.00 H new ATOM 0 HB3 LYS A 106 10.984 16.524 5.087 1.00 0.00 H new ATOM 0 HG2 LYS A 106 9.619 18.331 5.305 1.00 0.00 H new ATOM 0 HG3 LYS A 106 8.379 17.205 4.788 1.00 0.00 H new ATOM 0 HD2 LYS A 106 8.095 16.702 7.349 1.00 0.00 H new ATOM 0 HD3 LYS A 106 8.973 18.200 7.584 1.00 0.00 H new ATOM 0 HE2 LYS A 106 6.420 17.985 5.925 1.00 0.00 H new ATOM 0 HE3 LYS A 106 6.446 18.437 7.618 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 6.447 20.361 6.198 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 7.898 20.278 7.076 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 7.873 19.840 5.436 1.00 0.00 H new ATOM 864 N GLY A 107 10.996 13.729 3.671 1.00 0.00 N ATOM 865 CA GLY A 107 12.196 13.012 3.342 1.00 0.00 C ATOM 866 C GLY A 107 11.842 11.570 3.138 1.00 0.00 C ATOM 867 O GLY A 107 12.226 10.966 2.139 1.00 0.00 O ATOM 0 H GLY A 107 10.414 13.983 2.873 1.00 0.00 H new ATOM 0 HA2 GLY A 107 12.649 13.423 2.440 1.00 0.00 H new ATOM 0 HA3 GLY A 107 12.930 13.113 4.141 1.00 0.00 H new ATOM 871 N LYS A 108 11.133 10.965 4.112 1.00 0.00 N ATOM 872 CA LYS A 108 11.004 9.542 4.122 1.00 0.00 C ATOM 873 C LYS A 108 9.552 9.216 3.984 1.00 0.00 C ATOM 874 O LYS A 108 8.767 9.982 3.430 1.00 0.00 O ATOM 875 CB LYS A 108 11.508 8.952 5.445 1.00 0.00 C ATOM 876 CG LYS A 108 13.018 9.113 5.640 1.00 0.00 C ATOM 877 CD LYS A 108 13.691 7.874 6.241 1.00 0.00 C ATOM 878 CE LYS A 108 13.305 7.617 7.700 1.00 0.00 C ATOM 879 NZ LYS A 108 14.009 6.441 8.204 1.00 0.00 N ATOM 0 H LYS A 108 10.660 11.450 4.875 1.00 0.00 H new ATOM 0 HA LYS A 108 11.594 9.122 3.307 1.00 0.00 H new ATOM 0 HB2 LYS A 108 10.988 9.435 6.272 1.00 0.00 H new ATOM 0 HB3 LYS A 108 11.254 7.893 5.483 1.00 0.00 H new ATOM 0 HG2 LYS A 108 13.479 9.337 4.678 1.00 0.00 H new ATOM 0 HG3 LYS A 108 13.204 9.969 6.289 1.00 0.00 H new ATOM 0 HD2 LYS A 108 13.426 7.001 5.644 1.00 0.00 H new ATOM 0 HD3 LYS A 108 14.773 7.990 6.175 1.00 0.00 H new ATOM 0 HE2 LYS A 108 13.552 8.487 8.309 1.00 0.00 H new ATOM 0 HE3 LYS A 108 12.228 7.468 7.779 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 13.741 6.274 9.195 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 13.753 5.611 7.632 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 15.035 6.599 8.145 1.00 0.00 H new ATOM 893 N LYS A 109 9.180 8.041 4.513 1.00 0.00 N ATOM 894 CA LYS A 109 7.850 7.544 4.392 1.00 0.00 C ATOM 895 C LYS A 109 7.527 6.915 5.705 1.00 0.00 C ATOM 896 O LYS A 109 8.419 6.614 6.498 1.00 0.00 O ATOM 897 CB LYS A 109 7.815 6.470 3.301 1.00 0.00 C ATOM 898 CG LYS A 109 7.669 7.015 1.884 1.00 0.00 C ATOM 899 CD LYS A 109 7.094 5.981 0.919 1.00 0.00 C ATOM 900 CE LYS A 109 7.986 4.748 0.766 1.00 0.00 C ATOM 901 NZ LYS A 109 9.190 5.096 0.015 1.00 0.00 N ATOM 0 H LYS A 109 9.810 7.428 5.031 1.00 0.00 H new ATOM 0 HA LYS A 109 7.143 8.333 4.134 1.00 0.00 H new ATOM 0 HB2 LYS A 109 8.731 5.881 3.358 1.00 0.00 H new ATOM 0 HB3 LYS A 109 6.987 5.791 3.503 1.00 0.00 H new ATOM 0 HG2 LYS A 109 7.022 7.892 1.900 1.00 0.00 H new ATOM 0 HG3 LYS A 109 8.643 7.344 1.522 1.00 0.00 H new ATOM 0 HD2 LYS A 109 6.111 5.670 1.271 1.00 0.00 H new ATOM 0 HD3 LYS A 109 6.951 6.443 -0.058 1.00 0.00 H new ATOM 0 HE2 LYS A 109 8.258 4.361 1.748 1.00 0.00 H new ATOM 0 HE3 LYS A 109 7.442 3.956 0.251 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 9.734 4.233 -0.188 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 8.921 5.554 -0.879 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 9.773 5.748 0.577 1.00 0.00 H new ATOM 915 N ALA A 110 6.226 6.710 5.968 1.00 0.00 N ATOM 916 CA ALA A 110 5.819 6.123 7.214 1.00 0.00 C ATOM 917 C ALA A 110 5.567 4.683 6.946 1.00 0.00 C ATOM 918 O ALA A 110 4.759 4.332 6.089 1.00 0.00 O ATOM 919 CB ALA A 110 4.583 6.697 7.906 1.00 0.00 C ATOM 0 H ALA A 110 5.463 6.945 5.333 1.00 0.00 H new ATOM 0 HA ALA A 110 6.631 6.339 7.909 1.00 0.00 H new ATOM 0 HB1 ALA A 110 4.400 6.154 8.833 1.00 0.00 H new ATOM 0 HB2 ALA A 110 4.748 7.751 8.130 1.00 0.00 H new ATOM 0 HB3 ALA A 110 3.719 6.596 7.250 1.00 0.00 H new ATOM 925 N ARG A 111 6.286 3.801 7.661 1.00 0.00 N ATOM 926 CA ARG A 111 6.299 2.434 7.290 1.00 0.00 C ATOM 927 C ARG A 111 5.208 1.773 8.049 1.00 0.00 C ATOM 928 O ARG A 111 4.924 2.123 9.195 1.00 0.00 O ATOM 929 CB ARG A 111 7.642 1.863 7.701 1.00 0.00 C ATOM 930 CG ARG A 111 8.001 0.573 6.982 1.00 0.00 C ATOM 931 CD ARG A 111 7.396 -0.645 7.661 1.00 0.00 C ATOM 932 NE ARG A 111 8.317 -1.791 7.410 1.00 0.00 N ATOM 933 CZ ARG A 111 7.931 -3.069 7.668 1.00 0.00 C ATOM 934 NH1 ARG A 111 6.683 -3.342 8.100 1.00 0.00 N ATOM 935 NH2 ARG A 111 8.789 -4.084 7.425 1.00 0.00 N ATOM 0 H ARG A 111 6.847 4.035 8.480 1.00 0.00 H new ATOM 0 HA ARG A 111 6.154 2.287 6.220 1.00 0.00 H new ATOM 0 HB2 ARG A 111 8.417 2.605 7.508 1.00 0.00 H new ATOM 0 HB3 ARG A 111 7.636 1.681 8.776 1.00 0.00 H new ATOM 0 HG2 ARG A 111 7.652 0.624 5.951 1.00 0.00 H new ATOM 0 HG3 ARG A 111 9.085 0.467 6.947 1.00 0.00 H new ATOM 0 HD2 ARG A 111 7.280 -0.471 8.731 1.00 0.00 H new ATOM 0 HD3 ARG A 111 6.403 -0.854 7.263 1.00 0.00 H new ATOM 0 HE ARG A 111 9.250 -1.613 7.039 1.00 0.00 H new ATOM 0 HH11 ARG A 111 6.014 -2.585 8.237 1.00 0.00 H new ATOM 0 HH12 ARG A 111 6.408 -4.306 8.289 1.00 0.00 H new ATOM 0 HH21 ARG A 111 9.718 -3.888 7.051 1.00 0.00 H new ATOM 0 HH22 ARG A 111 8.508 -5.046 7.615 1.00 0.00 H new ATOM 949 N LEU A 112 4.564 0.798 7.399 1.00 0.00 N ATOM 950 CA LEU A 112 3.317 0.295 7.886 1.00 0.00 C ATOM 951 C LEU A 112 3.500 -1.154 8.192 1.00 0.00 C ATOM 952 O LEU A 112 4.606 -1.624 8.455 1.00 0.00 O ATOM 953 CB LEU A 112 2.215 0.402 6.828 1.00 0.00 C ATOM 954 CG LEU A 112 2.043 1.809 6.258 1.00 0.00 C ATOM 955 CD1 LEU A 112 1.134 1.850 5.027 1.00 0.00 C ATOM 956 CD2 LEU A 112 1.523 2.806 7.291 1.00 0.00 C ATOM 0 H LEU A 112 4.899 0.357 6.542 1.00 0.00 H new ATOM 0 HA LEU A 112 3.026 0.877 8.761 1.00 0.00 H new ATOM 0 HB2 LEU A 112 2.439 -0.286 6.012 1.00 0.00 H new ATOM 0 HB3 LEU A 112 1.271 0.080 7.266 1.00 0.00 H new ATOM 0 HG LEU A 112 3.048 2.104 5.958 1.00 0.00 H new ATOM 0 HD11 LEU A 112 1.052 2.876 4.669 1.00 0.00 H new ATOM 0 HD12 LEU A 112 1.557 1.225 4.241 1.00 0.00 H new ATOM 0 HD13 LEU A 112 0.144 1.478 5.293 1.00 0.00 H new ATOM 0 HD21 LEU A 112 1.421 3.788 6.829 1.00 0.00 H new ATOM 0 HD22 LEU A 112 0.552 2.475 7.659 1.00 0.00 H new ATOM 0 HD23 LEU A 112 2.225 2.867 8.123 1.00 0.00 H new ATOM 968 N ASP A 113 2.376 -1.894 8.187 1.00 0.00 N ATOM 969 CA ASP A 113 2.425 -3.315 8.366 1.00 0.00 C ATOM 970 C ASP A 113 1.887 -3.934 7.116 1.00 0.00 C ATOM 971 O ASP A 113 1.432 -3.231 6.223 1.00 0.00 O ATOM 972 CB ASP A 113 1.626 -3.818 9.582 1.00 0.00 C ATOM 973 CG ASP A 113 2.159 -5.190 9.974 1.00 0.00 C ATOM 974 OD1 ASP A 113 3.334 -5.263 10.414 1.00 0.00 O ATOM 975 OD2 ASP A 113 1.425 -6.189 9.746 1.00 0.00 O ATOM 0 H ASP A 113 1.438 -1.513 8.060 1.00 0.00 H new ATOM 0 HA ASP A 113 3.459 -3.599 8.560 1.00 0.00 H new ATOM 0 HB2 ASP A 113 1.724 -3.121 10.414 1.00 0.00 H new ATOM 0 HB3 ASP A 113 0.565 -3.878 9.340 1.00 0.00 H new ATOM 980 N TRP A 114 2.054 -5.267 6.983 1.00 0.00 N ATOM 981 CA TRP A 114 1.563 -5.962 5.843 1.00 0.00 C ATOM 982 C TRP A 114 0.265 -6.612 6.217 1.00 0.00 C ATOM 983 O TRP A 114 -0.466 -7.097 5.357 1.00 0.00 O ATOM 984 CB TRP A 114 2.603 -7.027 5.421 1.00 0.00 C ATOM 985 CG TRP A 114 3.546 -6.554 4.338 1.00 0.00 C ATOM 986 CD1 TRP A 114 4.857 -6.837 4.085 1.00 0.00 C ATOM 987 CD2 TRP A 114 3.063 -5.863 3.195 1.00 0.00 C ATOM 988 NE1 TRP A 114 5.210 -6.345 2.840 1.00 0.00 N ATOM 989 CE2 TRP A 114 4.093 -5.776 2.257 1.00 0.00 C ATOM 990 CE3 TRP A 114 1.777 -5.600 2.922 1.00 0.00 C ATOM 991 CZ2 TRP A 114 3.764 -5.296 0.992 1.00 0.00 C ATOM 992 CZ3 TRP A 114 1.477 -5.064 1.697 1.00 0.00 C ATOM 993 CH2 TRP A 114 2.429 -5.004 0.706 1.00 0.00 C ATOM 0 H TRP A 114 2.529 -5.856 7.667 1.00 0.00 H new ATOM 0 HA TRP A 114 1.400 -5.282 5.007 1.00 0.00 H new ATOM 0 HB2 TRP A 114 3.184 -7.322 6.295 1.00 0.00 H new ATOM 0 HB3 TRP A 114 2.079 -7.917 5.072 1.00 0.00 H new ATOM 0 HD1 TRP A 114 5.519 -7.365 4.755 1.00 0.00 H new ATOM 0 HE1 TRP A 114 6.139 -6.394 2.422 1.00 0.00 H new ATOM 0 HE3 TRP A 114 1.001 -5.804 3.645 1.00 0.00 H new ATOM 0 HZ2 TRP A 114 4.529 -5.152 0.244 1.00 0.00 H new ATOM 0 HZ3 TRP A 114 0.484 -4.685 1.508 1.00 0.00 H new ATOM 0 HH2 TRP A 114 2.142 -4.730 -0.298 1.00 0.00 H new ATOM 1004 N ASN A 115 -0.121 -6.512 7.502 1.00 0.00 N ATOM 1005 CA ASN A 115 -1.439 -6.910 7.900 1.00 0.00 C ATOM 1006 C ASN A 115 -2.211 -5.658 8.134 1.00 0.00 C ATOM 1007 O ASN A 115 -3.235 -5.662 8.815 1.00 0.00 O ATOM 1008 CB ASN A 115 -1.412 -7.650 9.245 1.00 0.00 C ATOM 1009 CG ASN A 115 -2.336 -8.854 9.155 1.00 0.00 C ATOM 1010 OD1 ASN A 115 -1.885 -9.994 9.047 1.00 0.00 O ATOM 1011 ND2 ASN A 115 -3.661 -8.594 9.212 1.00 0.00 N ATOM 0 H ASN A 115 0.468 -6.161 8.257 1.00 0.00 H new ATOM 0 HA ASN A 115 -1.865 -7.557 7.133 1.00 0.00 H new ATOM 0 HB2 ASN A 115 -0.397 -7.969 9.481 1.00 0.00 H new ATOM 0 HB3 ASN A 115 -1.732 -6.987 10.048 1.00 0.00 H new ATOM 0 HD21 ASN A 115 -4.333 -9.360 9.165 1.00 0.00 H new ATOM 0 HD22 ASN A 115 -3.989 -7.632 9.302 1.00 0.00 H new ATOM 1018 N THR A 116 -1.725 -4.537 7.568 1.00 0.00 N ATOM 1019 CA THR A 116 -2.200 -3.259 7.994 1.00 0.00 C ATOM 1020 C THR A 116 -3.533 -3.003 7.338 1.00 0.00 C ATOM 1021 O THR A 116 -3.806 -3.435 6.217 1.00 0.00 O ATOM 1022 CB THR A 116 -1.165 -2.112 7.972 1.00 0.00 C ATOM 1023 OG1 THR A 116 -0.631 -1.916 9.274 1.00 0.00 O ATOM 1024 CG2 THR A 116 -1.720 -0.718 7.681 1.00 0.00 C ATOM 0 H THR A 116 -1.019 -4.515 6.832 1.00 0.00 H new ATOM 0 HA THR A 116 -2.370 -3.284 9.070 1.00 0.00 H new ATOM 0 HB THR A 116 -0.474 -2.436 7.194 1.00 0.00 H new ATOM 0 HG1 THR A 116 -0.099 -1.093 9.289 1.00 0.00 H new ATOM 0 HG21 THR A 116 -0.906 0.007 7.690 1.00 0.00 H new ATOM 0 HG22 THR A 116 -2.198 -0.714 6.702 1.00 0.00 H new ATOM 0 HG23 THR A 116 -2.452 -0.451 8.443 1.00 0.00 H new ATOM 1032 N ASP A 117 -4.465 -2.420 8.117 1.00 0.00 N ATOM 1033 CA ASP A 117 -5.790 -2.138 7.645 1.00 0.00 C ATOM 1034 C ASP A 117 -5.686 -1.015 6.670 1.00 0.00 C ATOM 1035 O ASP A 117 -5.689 0.137 7.078 1.00 0.00 O ATOM 1036 CB ASP A 117 -6.766 -1.733 8.775 1.00 0.00 C ATOM 1037 CG ASP A 117 -5.963 -1.350 10.016 1.00 0.00 C ATOM 1038 OD1 ASP A 117 -5.226 -2.221 10.555 1.00 0.00 O ATOM 1039 OD2 ASP A 117 -6.124 -0.194 10.489 1.00 0.00 O ATOM 0 H ASP A 117 -4.299 -2.141 9.084 1.00 0.00 H new ATOM 0 HA ASP A 117 -6.192 -3.046 7.195 1.00 0.00 H new ATOM 0 HB2 ASP A 117 -7.385 -0.895 8.455 1.00 0.00 H new ATOM 0 HB3 ASP A 117 -7.440 -2.559 9.003 1.00 0.00 H new ATOM 1044 N ALA A 118 -5.737 -1.377 5.370 1.00 0.00 N ATOM 1045 CA ALA A 118 -5.662 -0.427 4.284 1.00 0.00 C ATOM 1046 C ALA A 118 -6.812 0.530 4.419 1.00 0.00 C ATOM 1047 O ALA A 118 -6.731 1.677 3.990 1.00 0.00 O ATOM 1048 CB ALA A 118 -5.943 -1.328 3.051 1.00 0.00 C ATOM 0 H ALA A 118 -5.832 -2.345 5.063 1.00 0.00 H new ATOM 0 HA ALA A 118 -4.729 0.134 4.240 1.00 0.00 H new ATOM 0 HB1 ALA A 118 -5.915 -0.723 2.145 1.00 0.00 H new ATOM 0 HB2 ALA A 118 -5.184 -2.108 2.990 1.00 0.00 H new ATOM 0 HB3 ALA A 118 -6.927 -1.786 3.152 1.00 0.00 H new ATOM 1054 N ALA A 119 -7.858 0.101 5.150 1.00 0.00 N ATOM 1055 CA ALA A 119 -9.048 0.886 5.315 1.00 0.00 C ATOM 1056 C ALA A 119 -8.773 1.972 6.320 1.00 0.00 C ATOM 1057 O ALA A 119 -9.607 2.846 6.543 1.00 0.00 O ATOM 1058 CB ALA A 119 -9.829 -0.239 6.023 1.00 0.00 C ATOM 0 H ALA A 119 -7.881 -0.798 5.632 1.00 0.00 H new ATOM 0 HA ALA A 119 -9.485 1.366 4.440 1.00 0.00 H new ATOM 0 HB1 ALA A 119 -10.829 0.114 6.274 1.00 0.00 H new ATOM 0 HB2 ALA A 119 -9.904 -1.102 5.361 1.00 0.00 H new ATOM 0 HB3 ALA A 119 -9.306 -0.526 6.935 1.00 0.00 H new ATOM 1064 N SER A 120 -7.571 1.966 6.930 1.00 0.00 N ATOM 1065 CA SER A 120 -7.220 3.000 7.864 1.00 0.00 C ATOM 1066 C SER A 120 -6.259 3.922 7.171 1.00 0.00 C ATOM 1067 O SER A 120 -5.997 5.028 7.636 1.00 0.00 O ATOM 1068 CB SER A 120 -6.541 2.465 9.131 1.00 0.00 C ATOM 1069 OG SER A 120 -7.486 1.787 9.944 1.00 0.00 O ATOM 0 H SER A 120 -6.851 1.259 6.782 1.00 0.00 H new ATOM 0 HA SER A 120 -8.138 3.497 8.177 1.00 0.00 H new ATOM 0 HB2 SER A 120 -5.731 1.788 8.860 1.00 0.00 H new ATOM 0 HB3 SER A 120 -6.095 3.288 9.689 1.00 0.00 H new ATOM 0 HG SER A 120 -7.035 1.079 10.449 1.00 0.00 H new ATOM 1075 N LEU A 121 -5.705 3.464 6.030 1.00 0.00 N ATOM 1076 CA LEU A 121 -4.828 4.285 5.241 1.00 0.00 C ATOM 1077 C LEU A 121 -5.633 4.762 4.099 1.00 0.00 C ATOM 1078 O LEU A 121 -5.105 5.218 3.088 1.00 0.00 O ATOM 1079 CB LEU A 121 -3.657 3.481 4.667 1.00 0.00 C ATOM 1080 CG LEU A 121 -2.880 2.712 5.733 1.00 0.00 C ATOM 1081 CD1 LEU A 121 -2.867 3.431 7.089 1.00 0.00 C ATOM 1082 CD2 LEU A 121 -3.474 1.336 6.004 1.00 0.00 C ATOM 0 H LEU A 121 -5.862 2.529 5.653 1.00 0.00 H new ATOM 0 HA LEU A 121 -4.423 5.085 5.861 1.00 0.00 H new ATOM 0 HB2 LEU A 121 -4.035 2.779 3.924 1.00 0.00 H new ATOM 0 HB3 LEU A 121 -2.978 4.158 4.149 1.00 0.00 H new ATOM 0 HG LEU A 121 -1.873 2.634 5.322 1.00 0.00 H new ATOM 0 HD11 LEU A 121 -2.301 2.840 7.809 1.00 0.00 H new ATOM 0 HD12 LEU A 121 -2.401 4.410 6.977 1.00 0.00 H new ATOM 0 HD13 LEU A 121 -3.890 3.554 7.445 1.00 0.00 H new ATOM 0 HD21 LEU A 121 -2.885 0.830 6.769 1.00 0.00 H new ATOM 0 HD22 LEU A 121 -4.502 1.445 6.350 1.00 0.00 H new ATOM 0 HD23 LEU A 121 -3.460 0.747 5.087 1.00 0.00 H new ATOM 1094 N ILE A 122 -6.953 4.620 4.262 1.00 0.00 N ATOM 1095 CA ILE A 122 -7.875 4.869 3.196 1.00 0.00 C ATOM 1096 C ILE A 122 -7.902 6.341 2.943 1.00 0.00 C ATOM 1097 O ILE A 122 -7.913 7.156 3.864 1.00 0.00 O ATOM 1098 CB ILE A 122 -9.275 4.331 3.522 1.00 0.00 C ATOM 1099 CG1 ILE A 122 -9.973 3.624 2.357 1.00 0.00 C ATOM 1100 CG2 ILE A 122 -10.237 5.349 4.162 1.00 0.00 C ATOM 1101 CD1 ILE A 122 -9.273 2.348 1.872 1.00 0.00 C ATOM 0 H ILE A 122 -7.390 4.331 5.137 1.00 0.00 H new ATOM 0 HA ILE A 122 -7.549 4.344 2.298 1.00 0.00 H new ATOM 0 HB ILE A 122 -9.046 3.583 4.281 1.00 0.00 H new ATOM 0 HG12 ILE A 122 -10.990 3.373 2.659 1.00 0.00 H new ATOM 0 HG13 ILE A 122 -10.051 4.320 1.521 1.00 0.00 H new ATOM 0 HG21 ILE A 122 -11.198 4.871 4.353 1.00 0.00 H new ATOM 0 HG22 ILE A 122 -9.816 5.706 5.102 1.00 0.00 H new ATOM 0 HG23 ILE A 122 -10.379 6.191 3.485 1.00 0.00 H new ATOM 0 HD11 ILE A 122 -9.837 1.915 1.046 1.00 0.00 H new ATOM 0 HD12 ILE A 122 -8.265 2.591 1.535 1.00 0.00 H new ATOM 0 HD13 ILE A 122 -9.219 1.630 2.690 1.00 0.00 H new ATOM 1113 N GLY A 123 -7.853 6.691 1.650 1.00 0.00 N ATOM 1114 CA GLY A 123 -7.904 8.066 1.238 1.00 0.00 C ATOM 1115 C GLY A 123 -6.514 8.624 1.328 1.00 0.00 C ATOM 1116 O GLY A 123 -6.324 9.778 1.707 1.00 0.00 O ATOM 0 H GLY A 123 -7.778 6.024 0.882 1.00 0.00 H new ATOM 0 HA2 GLY A 123 -8.282 8.146 0.219 1.00 0.00 H new ATOM 0 HA3 GLY A 123 -8.584 8.631 1.875 1.00 0.00 H new ATOM 1120 N GLU A 124 -5.498 7.811 0.972 1.00 0.00 N ATOM 1121 CA GLU A 124 -4.142 8.262 1.073 1.00 0.00 C ATOM 1122 C GLU A 124 -3.423 7.768 -0.143 1.00 0.00 C ATOM 1123 O GLU A 124 -4.022 7.194 -1.055 1.00 0.00 O ATOM 1124 CB GLU A 124 -3.405 7.677 2.287 1.00 0.00 C ATOM 1125 CG GLU A 124 -4.147 7.870 3.615 1.00 0.00 C ATOM 1126 CD GLU A 124 -3.619 9.132 4.291 1.00 0.00 C ATOM 1127 OE1 GLU A 124 -3.174 10.075 3.576 1.00 0.00 O ATOM 1128 OE2 GLU A 124 -3.543 9.139 5.550 1.00 0.00 O ATOM 0 H GLU A 124 -5.612 6.860 0.621 1.00 0.00 H new ATOM 0 HA GLU A 124 -4.157 9.347 1.171 1.00 0.00 H new ATOM 0 HB2 GLU A 124 -3.244 6.611 2.123 1.00 0.00 H new ATOM 0 HB3 GLU A 124 -2.421 8.141 2.361 1.00 0.00 H new ATOM 0 HG2 GLU A 124 -5.219 7.956 3.440 1.00 0.00 H new ATOM 0 HG3 GLU A 124 -3.998 7.005 4.261 1.00 0.00 H new ATOM 1135 N GLU A 125 -2.089 7.952 -0.149 1.00 0.00 N ATOM 1136 CA GLU A 125 -1.259 7.320 -1.130 1.00 0.00 C ATOM 1137 C GLU A 125 -0.438 6.313 -0.408 1.00 0.00 C ATOM 1138 O GLU A 125 0.057 6.579 0.690 1.00 0.00 O ATOM 1139 CB GLU A 125 -0.289 8.273 -1.852 1.00 0.00 C ATOM 1140 CG GLU A 125 -0.936 9.011 -3.027 1.00 0.00 C ATOM 1141 CD GLU A 125 -0.254 10.364 -3.182 1.00 0.00 C ATOM 1142 OE1 GLU A 125 -0.274 11.156 -2.199 1.00 0.00 O ATOM 1143 OE2 GLU A 125 0.295 10.623 -4.283 1.00 0.00 O ATOM 0 H GLU A 125 -1.587 8.535 0.521 1.00 0.00 H new ATOM 0 HA GLU A 125 -1.915 6.903 -1.894 1.00 0.00 H new ATOM 0 HB2 GLU A 125 0.093 9.003 -1.138 1.00 0.00 H new ATOM 0 HB3 GLU A 125 0.567 7.704 -2.215 1.00 0.00 H new ATOM 0 HG2 GLU A 125 -0.834 8.428 -3.943 1.00 0.00 H new ATOM 0 HG3 GLU A 125 -2.003 9.143 -2.850 1.00 0.00 H new ATOM 1150 N LEU A 126 -0.299 5.120 -1.009 1.00 0.00 N ATOM 1151 CA LEU A 126 0.574 4.124 -0.463 1.00 0.00 C ATOM 1152 C LEU A 126 1.713 3.968 -1.417 1.00 0.00 C ATOM 1153 O LEU A 126 1.572 4.175 -2.622 1.00 0.00 O ATOM 1154 CB LEU A 126 -0.043 2.725 -0.289 1.00 0.00 C ATOM 1155 CG LEU A 126 -1.009 2.591 0.896 1.00 0.00 C ATOM 1156 CD1 LEU A 126 -0.684 1.396 1.800 1.00 0.00 C ATOM 1157 CD2 LEU A 126 -1.062 3.822 1.809 1.00 0.00 C ATOM 0 H LEU A 126 -0.784 4.844 -1.863 1.00 0.00 H new ATOM 0 HA LEU A 126 0.846 4.474 0.533 1.00 0.00 H new ATOM 0 HB2 LEU A 126 -0.573 2.461 -1.204 1.00 0.00 H new ATOM 0 HB3 LEU A 126 0.762 2.001 -0.167 1.00 0.00 H new ATOM 0 HG LEU A 126 -1.972 2.459 0.403 1.00 0.00 H new ATOM 0 HD11 LEU A 126 -1.401 1.354 2.620 1.00 0.00 H new ATOM 0 HD12 LEU A 126 -0.741 0.475 1.220 1.00 0.00 H new ATOM 0 HD13 LEU A 126 0.322 1.508 2.204 1.00 0.00 H new ATOM 0 HD21 LEU A 126 -1.768 3.643 2.620 1.00 0.00 H new ATOM 0 HD22 LEU A 126 -0.072 4.010 2.225 1.00 0.00 H new ATOM 0 HD23 LEU A 126 -1.384 4.689 1.232 1.00 0.00 H new ATOM 1169 N GLN A 127 2.879 3.566 -0.884 1.00 0.00 N ATOM 1170 CA GLN A 127 4.007 3.279 -1.721 1.00 0.00 C ATOM 1171 C GLN A 127 4.603 2.014 -1.211 1.00 0.00 C ATOM 1172 O GLN A 127 4.451 1.673 -0.041 1.00 0.00 O ATOM 1173 CB GLN A 127 5.105 4.359 -1.690 1.00 0.00 C ATOM 1174 CG GLN A 127 5.957 4.416 -2.970 1.00 0.00 C ATOM 1175 CD GLN A 127 7.413 4.627 -2.574 1.00 0.00 C ATOM 1176 OE1 GLN A 127 7.839 5.749 -2.295 1.00 0.00 O ATOM 1177 NE2 GLN A 127 8.217 3.532 -2.589 1.00 0.00 N ATOM 0 H GLN A 127 3.043 3.440 0.115 1.00 0.00 H new ATOM 0 HA GLN A 127 3.652 3.223 -2.750 1.00 0.00 H new ATOM 0 HB2 GLN A 127 4.640 5.332 -1.531 1.00 0.00 H new ATOM 0 HB3 GLN A 127 5.759 4.175 -0.838 1.00 0.00 H new ATOM 0 HG2 GLN A 127 5.849 3.492 -3.538 1.00 0.00 H new ATOM 0 HG3 GLN A 127 5.618 5.227 -3.614 1.00 0.00 H new ATOM 0 HE21 GLN A 127 7.830 2.618 -2.825 1.00 0.00 H new ATOM 0 HE22 GLN A 127 9.208 3.624 -2.365 1.00 0.00 H new ATOM 1186 N VAL A 128 5.293 1.278 -2.096 1.00 0.00 N ATOM 1187 CA VAL A 128 5.958 0.081 -1.680 1.00 0.00 C ATOM 1188 C VAL A 128 7.402 0.246 -2.030 1.00 0.00 C ATOM 1189 O VAL A 128 7.744 0.901 -3.013 1.00 0.00 O ATOM 1190 CB VAL A 128 5.379 -1.188 -2.324 1.00 0.00 C ATOM 1191 CG1 VAL A 128 6.269 -2.426 -2.166 1.00 0.00 C ATOM 1192 CG2 VAL A 128 4.026 -1.606 -1.730 1.00 0.00 C ATOM 0 H VAL A 128 5.392 1.504 -3.086 1.00 0.00 H new ATOM 0 HA VAL A 128 5.817 -0.056 -0.608 1.00 0.00 H new ATOM 0 HB VAL A 128 5.291 -0.896 -3.370 1.00 0.00 H new ATOM 0 HG11 VAL A 128 5.792 -3.280 -2.646 1.00 0.00 H new ATOM 0 HG12 VAL A 128 7.237 -2.240 -2.632 1.00 0.00 H new ATOM 0 HG13 VAL A 128 6.412 -2.639 -1.107 1.00 0.00 H new ATOM 0 HG21 VAL A 128 3.673 -2.509 -2.229 1.00 0.00 H new ATOM 0 HG22 VAL A 128 4.142 -1.802 -0.664 1.00 0.00 H new ATOM 0 HG23 VAL A 128 3.302 -0.804 -1.875 1.00 0.00 H new ATOM 1202 N ASP A 129 8.283 -0.303 -1.175 1.00 0.00 N ATOM 1203 CA ASP A 129 9.694 -0.158 -1.367 1.00 0.00 C ATOM 1204 C ASP A 129 10.305 -1.494 -1.081 1.00 0.00 C ATOM 1205 O ASP A 129 9.604 -2.484 -0.891 1.00 0.00 O ATOM 1206 CB ASP A 129 10.290 0.881 -0.397 1.00 0.00 C ATOM 1207 CG ASP A 129 11.004 1.945 -1.216 1.00 0.00 C ATOM 1208 OD1 ASP A 129 11.972 1.580 -1.932 1.00 0.00 O ATOM 1209 OD2 ASP A 129 10.574 3.129 -1.146 1.00 0.00 O ATOM 0 H ASP A 129 8.020 -0.846 -0.353 1.00 0.00 H new ATOM 0 HA ASP A 129 9.897 0.182 -2.382 1.00 0.00 H new ATOM 0 HB2 ASP A 129 9.503 1.332 0.207 1.00 0.00 H new ATOM 0 HB3 ASP A 129 10.986 0.402 0.292 1.00 0.00 H new ATOM 1214 N PHE A 130 11.648 -1.549 -0.993 1.00 0.00 N ATOM 1215 CA PHE A 130 12.311 -2.797 -0.757 1.00 0.00 C ATOM 1216 C PHE A 130 12.182 -3.118 0.709 1.00 0.00 C ATOM 1217 O PHE A 130 11.785 -2.273 1.513 1.00 0.00 O ATOM 1218 CB PHE A 130 13.800 -2.785 -1.156 1.00 0.00 C ATOM 1219 CG PHE A 130 14.405 -1.509 -0.664 1.00 0.00 C ATOM 1220 CD1 PHE A 130 14.427 -0.369 -1.476 1.00 0.00 C ATOM 1221 CD2 PHE A 130 15.002 -1.431 0.585 1.00 0.00 C ATOM 1222 CE1 PHE A 130 14.972 0.818 -1.018 1.00 0.00 C ATOM 1223 CE2 PHE A 130 15.552 -0.243 1.038 1.00 0.00 C ATOM 1224 CZ PHE A 130 15.533 0.882 0.242 1.00 0.00 C ATOM 0 H PHE A 130 12.267 -0.743 -1.084 1.00 0.00 H new ATOM 0 HA PHE A 130 11.836 -3.554 -1.382 1.00 0.00 H new ATOM 0 HB2 PHE A 130 14.316 -3.642 -0.724 1.00 0.00 H new ATOM 0 HB3 PHE A 130 13.904 -2.863 -2.238 1.00 0.00 H new ATOM 0 HD1 PHE A 130 14.013 -0.416 -2.473 1.00 0.00 H new ATOM 0 HD2 PHE A 130 15.039 -2.309 1.213 1.00 0.00 H new ATOM 0 HE1 PHE A 130 14.958 1.696 -1.647 1.00 0.00 H new ATOM 0 HE2 PHE A 130 15.998 -0.198 2.020 1.00 0.00 H new ATOM 0 HZ PHE A 130 15.955 1.809 0.602 1.00 0.00 H new ATOM 1234 N LEU A 131 12.531 -4.368 1.080 1.00 0.00 N ATOM 1235 CA LEU A 131 12.421 -4.804 2.438 1.00 0.00 C ATOM 1236 C LEU A 131 13.332 -3.971 3.265 1.00 0.00 C ATOM 1237 O LEU A 131 14.544 -3.933 3.062 1.00 0.00 O ATOM 1238 CB LEU A 131 12.788 -6.268 2.646 1.00 0.00 C ATOM 1239 CG LEU A 131 11.594 -7.217 2.535 1.00 0.00 C ATOM 1240 CD1 LEU A 131 12.007 -8.641 2.157 1.00 0.00 C ATOM 1241 CD2 LEU A 131 10.700 -7.216 3.780 1.00 0.00 C ATOM 0 H LEU A 131 12.889 -5.075 0.437 1.00 0.00 H new ATOM 0 HA LEU A 131 11.375 -4.697 2.726 1.00 0.00 H new ATOM 0 HB2 LEU A 131 13.539 -6.554 1.910 1.00 0.00 H new ATOM 0 HB3 LEU A 131 13.244 -6.384 3.629 1.00 0.00 H new ATOM 0 HG LEU A 131 10.994 -6.820 1.716 1.00 0.00 H new ATOM 0 HD11 LEU A 131 11.120 -9.272 2.092 1.00 0.00 H new ATOM 0 HD12 LEU A 131 12.515 -8.629 1.193 1.00 0.00 H new ATOM 0 HD13 LEU A 131 12.680 -9.038 2.917 1.00 0.00 H new ATOM 0 HD21 LEU A 131 9.873 -7.910 3.634 1.00 0.00 H new ATOM 0 HD22 LEU A 131 11.284 -7.524 4.647 1.00 0.00 H new ATOM 0 HD23 LEU A 131 10.307 -6.213 3.945 1.00 0.00 H new ATOM 1253 N ASP A 132 12.723 -3.332 4.264 1.00 0.00 N ATOM 1254 CA ASP A 132 13.381 -2.315 5.032 1.00 0.00 C ATOM 1255 C ASP A 132 14.231 -3.013 6.117 1.00 0.00 C ATOM 1256 O ASP A 132 13.650 -3.763 6.944 1.00 0.00 O ATOM 1257 CB ASP A 132 12.415 -1.299 5.682 1.00 0.00 C ATOM 1258 CG ASP A 132 11.387 -2.049 6.529 1.00 0.00 C ATOM 1259 OD1 ASP A 132 10.822 -3.079 6.064 1.00 0.00 O ATOM 1260 OD2 ASP A 132 11.002 -1.514 7.604 1.00 0.00 O ATOM 1261 OXT ASP A 132 15.456 -2.723 6.182 1.00 0.00 O ATOM 0 H ASP A 132 11.762 -3.516 4.551 1.00 0.00 H new ATOM 0 HA ASP A 132 14.000 -1.731 4.351 1.00 0.00 H new ATOM 0 HB2 ASP A 132 12.971 -0.597 6.303 1.00 0.00 H new ATOM 0 HB3 ASP A 132 11.912 -0.714 4.912 1.00 0.00 H new TER 1266 ASP A 132