USER MOD reduce.3.24.130724 H: found=0, std=0, add=829, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 830 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 72 ASN : amide:sc= -0.02 K(o=-0.23,f=-2.3) USER MOD Set 1.2: A 78 ASN : amide:sc= -0.207 K(o=-0.23,f=-2.3) USER MOD Set 2.1: A 19 SER OG : rot -172:sc= -0.469 USER MOD Set 2.2: A 66 TYR OH : rot 180:sc= -0.87 USER MOD Set 2.3: A 70 MET CE :methyl 178:sc= -4.83 (180deg=-3.88!) USER MOD Single : A 11 GLN : amide:sc= -0.123 X(o=-0.12,f=-0.12) USER MOD Single : A 14 GLN : amide:sc= 0 X(o=0,f=-0.0027) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 18 HIS : no HD1:sc= -0.204 X(o=-0.2,f=-0.027) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 MET CE :methyl -157:sc= -4.02! (180deg=-4.87!) USER MOD Single : A 26 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0167) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot -96:sc= 0.889 USER MOD Single : A 32 ASN : amide:sc= -0.154 K(o=-0.15,f=-1.7) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0.00976 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 57:sc= 0.259 USER MOD Single : A 61 LYS NZ :NH3+ -128:sc= 0 (180deg=-0.431) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 ASN : amide:sc= 0 X(o=0,f=-0.43) USER MOD Single : A 65 LYS NZ :NH3+ -135:sc= -0.583 (180deg=-1.96!) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 ASN : amide:sc= 0.0293 K(o=0.029,f=-5.8!) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 THR OG1 : rot -140:sc= -1.12 USER MOD Single : A 94 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 98 MET CE :methyl 180:sc= -0.357 (180deg=-0.357) USER MOD Single : A 99 SER OG : rot 180:sc= -0.135 USER MOD ----------------------------------------------------------------- ATOM 77 N ALA A 9 -8.669 15.735 2.220 1.00 0.00 N ATOM 78 CA ALA A 9 -7.590 14.829 1.846 1.00 0.00 C ATOM 79 C ALA A 9 -7.576 13.594 2.741 1.00 0.00 C ATOM 80 O ALA A 9 -7.463 12.467 2.257 1.00 0.00 O ATOM 81 CB ALA A 9 -6.251 15.547 1.914 1.00 0.00 C ATOM 0 HA ALA A 9 -7.762 14.501 0.821 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -5.454 14.859 1.632 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -6.257 16.395 1.229 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -6.080 15.903 2.930 1.00 0.00 H new ATOM 87 N ASP A 10 -7.691 13.813 4.046 1.00 0.00 N ATOM 88 CA ASP A 10 -7.692 12.717 5.008 1.00 0.00 C ATOM 89 C ASP A 10 -8.695 11.641 4.605 1.00 0.00 C ATOM 90 O ASP A 10 -8.552 10.476 4.976 1.00 0.00 O ATOM 91 CB ASP A 10 -8.019 13.239 6.408 1.00 0.00 C ATOM 92 CG ASP A 10 -7.129 14.396 6.817 1.00 0.00 C ATOM 93 OD1 ASP A 10 -7.366 15.525 6.339 1.00 0.00 O ATOM 94 OD2 ASP A 10 -6.194 14.172 7.615 1.00 0.00 O ATOM 0 H ASP A 10 -7.785 14.739 4.462 1.00 0.00 H new ATOM 0 HA ASP A 10 -6.696 12.274 5.018 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -9.061 13.557 6.440 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -7.911 12.429 7.129 1.00 0.00 H new ATOM 99 N GLN A 11 -9.711 12.040 3.846 1.00 0.00 N ATOM 100 CA GLN A 11 -10.739 11.110 3.395 1.00 0.00 C ATOM 101 C GLN A 11 -10.291 10.371 2.138 1.00 0.00 C ATOM 102 O GLN A 11 -10.339 9.142 2.079 1.00 0.00 O ATOM 103 CB GLN A 11 -12.047 11.855 3.124 1.00 0.00 C ATOM 104 CG GLN A 11 -12.949 11.964 4.343 1.00 0.00 C ATOM 105 CD GLN A 11 -12.256 12.614 5.525 1.00 0.00 C ATOM 106 OE1 GLN A 11 -12.159 13.838 5.606 1.00 0.00 O ATOM 107 NE2 GLN A 11 -11.770 11.794 6.450 1.00 0.00 N ATOM 0 H GLN A 11 -9.844 13.001 3.531 1.00 0.00 H new ATOM 0 HA GLN A 11 -10.903 10.378 4.186 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -11.816 12.857 2.762 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -12.588 11.345 2.327 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -13.836 12.542 4.084 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -13.290 10.969 4.629 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -11.873 10.785 6.342 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -11.294 12.173 7.268 1.00 0.00 H new ATOM 116 N ILE A 12 -9.856 11.128 1.136 1.00 0.00 N ATOM 117 CA ILE A 12 -9.399 10.544 -0.119 1.00 0.00 C ATOM 118 C ILE A 12 -8.348 9.467 0.127 1.00 0.00 C ATOM 119 O ILE A 12 -8.444 8.360 -0.402 1.00 0.00 O ATOM 120 CB ILE A 12 -8.812 11.615 -1.057 1.00 0.00 C ATOM 121 CG1 ILE A 12 -9.859 12.690 -1.358 1.00 0.00 C ATOM 122 CG2 ILE A 12 -8.316 10.976 -2.345 1.00 0.00 C ATOM 123 CD1 ILE A 12 -9.260 14.024 -1.745 1.00 0.00 C ATOM 0 H ILE A 12 -9.810 12.146 1.169 1.00 0.00 H new ATOM 0 HA ILE A 12 -10.271 10.095 -0.595 1.00 0.00 H new ATOM 0 HB ILE A 12 -7.965 12.088 -0.559 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -10.504 12.342 -2.165 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -10.492 12.826 -0.481 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -7.904 11.746 -2.998 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -7.542 10.244 -2.114 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -9.146 10.480 -2.848 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -10.059 14.738 -1.944 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -8.638 14.394 -0.930 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -8.650 13.903 -2.640 1.00 0.00 H new ATOM 135 N ARG A 13 -7.345 9.800 0.933 1.00 0.00 N ATOM 136 CA ARG A 13 -6.275 8.861 1.250 1.00 0.00 C ATOM 137 C ARG A 13 -6.809 7.681 2.057 1.00 0.00 C ATOM 138 O ARG A 13 -6.618 6.524 1.682 1.00 0.00 O ATOM 139 CB ARG A 13 -5.164 9.565 2.030 1.00 0.00 C ATOM 140 CG ARG A 13 -4.624 10.805 1.335 1.00 0.00 C ATOM 141 CD ARG A 13 -3.652 11.563 2.226 1.00 0.00 C ATOM 142 NE ARG A 13 -4.333 12.533 3.079 1.00 0.00 N ATOM 143 CZ ARG A 13 -3.743 13.172 4.083 1.00 0.00 C ATOM 144 NH1 ARG A 13 -2.466 12.944 4.358 1.00 0.00 N ATOM 145 NH2 ARG A 13 -4.429 14.040 4.814 1.00 0.00 N ATOM 0 H ARG A 13 -7.251 10.713 1.378 1.00 0.00 H new ATOM 0 HA ARG A 13 -5.867 8.483 0.312 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -5.543 9.846 3.013 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -4.345 8.864 2.192 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -4.123 10.517 0.411 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -5.452 11.458 1.059 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -3.104 10.856 2.848 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -2.918 12.078 1.606 1.00 0.00 H new ATOM 0 HE ARG A 13 -5.316 12.731 2.894 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -1.935 12.277 3.798 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -2.015 13.436 5.129 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -5.412 14.218 4.606 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -3.974 14.530 5.585 1.00 0.00 H new ATOM 159 N GLN A 14 -7.477 7.983 3.165 1.00 0.00 N ATOM 160 CA GLN A 14 -8.037 6.946 4.025 1.00 0.00 C ATOM 161 C GLN A 14 -8.825 5.928 3.208 1.00 0.00 C ATOM 162 O GLN A 14 -8.593 4.724 3.308 1.00 0.00 O ATOM 163 CB GLN A 14 -8.938 7.571 5.092 1.00 0.00 C ATOM 164 CG GLN A 14 -9.593 6.550 6.008 1.00 0.00 C ATOM 165 CD GLN A 14 -10.445 7.194 7.084 1.00 0.00 C ATOM 166 OE1 GLN A 14 -11.324 8.006 6.793 1.00 0.00 O ATOM 167 NE2 GLN A 14 -10.190 6.834 8.337 1.00 0.00 N ATOM 0 H GLN A 14 -7.644 8.936 3.489 1.00 0.00 H new ATOM 0 HA GLN A 14 -7.211 6.429 4.514 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -8.348 8.262 5.694 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -9.715 8.158 4.602 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -10.212 5.878 5.413 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -8.821 5.940 6.477 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -9.452 6.158 8.533 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -10.732 7.234 9.103 1.00 0.00 H new ATOM 176 N SER A 15 -9.759 6.421 2.401 1.00 0.00 N ATOM 177 CA SER A 15 -10.586 5.553 1.570 1.00 0.00 C ATOM 178 C SER A 15 -9.723 4.572 0.782 1.00 0.00 C ATOM 179 O SER A 15 -9.998 3.373 0.749 1.00 0.00 O ATOM 180 CB SER A 15 -11.434 6.389 0.609 1.00 0.00 C ATOM 181 OG SER A 15 -12.635 5.717 0.273 1.00 0.00 O ATOM 0 H SER A 15 -9.962 7.416 2.305 1.00 0.00 H new ATOM 0 HA SER A 15 -11.246 4.985 2.226 1.00 0.00 H new ATOM 0 HB2 SER A 15 -11.667 7.350 1.067 1.00 0.00 H new ATOM 0 HB3 SER A 15 -10.864 6.597 -0.297 1.00 0.00 H new ATOM 0 HG SER A 15 -13.160 6.272 -0.341 1.00 0.00 H new ATOM 187 N VAL A 16 -8.676 5.091 0.148 1.00 0.00 N ATOM 188 CA VAL A 16 -7.771 4.263 -0.639 1.00 0.00 C ATOM 189 C VAL A 16 -7.391 2.994 0.116 1.00 0.00 C ATOM 190 O VAL A 16 -7.557 1.884 -0.391 1.00 0.00 O ATOM 191 CB VAL A 16 -6.488 5.030 -1.010 1.00 0.00 C ATOM 192 CG1 VAL A 16 -5.511 4.117 -1.737 1.00 0.00 C ATOM 193 CG2 VAL A 16 -6.822 6.248 -1.857 1.00 0.00 C ATOM 0 H VAL A 16 -8.434 6.082 0.164 1.00 0.00 H new ATOM 0 HA VAL A 16 -8.301 3.994 -1.552 1.00 0.00 H new ATOM 0 HB VAL A 16 -6.013 5.374 -0.091 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -4.611 4.676 -1.991 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -5.248 3.279 -1.092 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -5.974 3.741 -2.649 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -5.904 6.778 -2.110 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -7.321 5.929 -2.772 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -7.481 6.911 -1.297 1.00 0.00 H new ATOM 203 N ARG A 17 -6.880 3.165 1.331 1.00 0.00 N ATOM 204 CA ARG A 17 -6.476 2.033 2.156 1.00 0.00 C ATOM 205 C ARG A 17 -7.516 0.918 2.097 1.00 0.00 C ATOM 206 O ARG A 17 -7.228 -0.191 1.646 1.00 0.00 O ATOM 207 CB ARG A 17 -6.272 2.479 3.606 1.00 0.00 C ATOM 208 CG ARG A 17 -5.284 3.623 3.758 1.00 0.00 C ATOM 209 CD ARG A 17 -5.153 4.057 5.209 1.00 0.00 C ATOM 210 NE ARG A 17 -3.827 4.596 5.502 1.00 0.00 N ATOM 211 CZ ARG A 17 -3.453 5.013 6.707 1.00 0.00 C ATOM 212 NH1 ARG A 17 -4.300 4.954 7.725 1.00 0.00 N ATOM 213 NH2 ARG A 17 -2.230 5.491 6.894 1.00 0.00 N ATOM 0 H ARG A 17 -6.736 4.076 1.766 1.00 0.00 H new ATOM 0 HA ARG A 17 -5.534 1.648 1.765 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -7.233 2.782 4.023 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -5.924 1.629 4.193 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -4.309 3.316 3.380 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -5.609 4.469 3.152 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -5.908 4.811 5.431 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -5.351 3.206 5.861 1.00 0.00 H new ATOM 0 HE ARG A 17 -3.152 4.655 4.740 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -5.242 4.588 7.584 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -4.010 5.275 8.649 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -1.576 5.539 6.113 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -1.943 5.811 7.819 1.00 0.00 H new ATOM 227 N HIS A 18 -8.727 1.220 2.556 1.00 0.00 N ATOM 228 CA HIS A 18 -9.810 0.243 2.555 1.00 0.00 C ATOM 229 C HIS A 18 -9.842 -0.531 1.241 1.00 0.00 C ATOM 230 O HIS A 18 -9.737 -1.758 1.230 1.00 0.00 O ATOM 231 CB HIS A 18 -11.152 0.939 2.784 1.00 0.00 C ATOM 232 CG HIS A 18 -12.316 0.202 2.196 1.00 0.00 C ATOM 233 ND1 HIS A 18 -13.169 0.761 1.268 1.00 0.00 N ATOM 234 CD2 HIS A 18 -12.766 -1.057 2.408 1.00 0.00 C ATOM 235 CE1 HIS A 18 -14.094 -0.122 0.935 1.00 0.00 C ATOM 236 NE2 HIS A 18 -13.871 -1.234 1.613 1.00 0.00 N ATOM 0 H HIS A 18 -8.982 2.133 2.933 1.00 0.00 H new ATOM 0 HA HIS A 18 -9.632 -0.462 3.367 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -11.312 1.059 3.856 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -11.111 1.940 2.354 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -12.336 -1.787 3.078 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -14.896 0.038 0.229 1.00 0.00 H new ATOM 0 HE2 HIS A 18 -14.429 -2.086 1.555 1.00 0.00 H new ATOM 245 N SER A 19 -9.989 0.193 0.137 1.00 0.00 N ATOM 246 CA SER A 19 -10.040 -0.426 -1.183 1.00 0.00 C ATOM 247 C SER A 19 -8.988 -1.524 -1.308 1.00 0.00 C ATOM 248 O SER A 19 -9.317 -2.702 -1.457 1.00 0.00 O ATOM 249 CB SER A 19 -9.828 0.626 -2.272 1.00 0.00 C ATOM 250 OG SER A 19 -10.489 0.260 -3.471 1.00 0.00 O ATOM 0 H SER A 19 -10.075 1.209 0.130 1.00 0.00 H new ATOM 0 HA SER A 19 -11.025 -0.874 -1.309 1.00 0.00 H new ATOM 0 HB2 SER A 19 -10.201 1.591 -1.928 1.00 0.00 H new ATOM 0 HB3 SER A 19 -8.762 0.746 -2.463 1.00 0.00 H new ATOM 0 HG SER A 19 -10.243 0.885 -4.184 1.00 0.00 H new ATOM 256 N LEU A 20 -7.721 -1.130 -1.247 1.00 0.00 N ATOM 257 CA LEU A 20 -6.618 -2.079 -1.354 1.00 0.00 C ATOM 258 C LEU A 20 -6.885 -3.321 -0.509 1.00 0.00 C ATOM 259 O LEU A 20 -6.718 -4.449 -0.973 1.00 0.00 O ATOM 260 CB LEU A 20 -5.309 -1.421 -0.916 1.00 0.00 C ATOM 261 CG LEU A 20 -4.802 -0.281 -1.799 1.00 0.00 C ATOM 262 CD1 LEU A 20 -3.903 0.652 -1.003 1.00 0.00 C ATOM 263 CD2 LEU A 20 -4.062 -0.832 -3.009 1.00 0.00 C ATOM 0 H LEU A 20 -7.432 -0.160 -1.124 1.00 0.00 H new ATOM 0 HA LEU A 20 -6.532 -2.384 -2.397 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -5.439 -1.039 0.097 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -4.537 -2.189 -0.870 1.00 0.00 H new ATOM 0 HG LEU A 20 -5.662 0.289 -2.152 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -3.552 1.457 -1.648 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -4.464 1.074 -0.169 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -3.048 0.095 -0.620 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -3.708 -0.006 -3.626 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -3.211 -1.426 -2.676 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -4.736 -1.459 -3.593 1.00 0.00 H new ATOM 275 N LYS A 21 -7.302 -3.105 0.734 1.00 0.00 N ATOM 276 CA LYS A 21 -7.596 -4.206 1.644 1.00 0.00 C ATOM 277 C LYS A 21 -8.792 -5.015 1.152 1.00 0.00 C ATOM 278 O LYS A 21 -8.865 -6.225 1.365 1.00 0.00 O ATOM 279 CB LYS A 21 -7.873 -3.671 3.051 1.00 0.00 C ATOM 280 CG LYS A 21 -7.654 -4.700 4.147 1.00 0.00 C ATOM 281 CD LYS A 21 -7.734 -4.070 5.527 1.00 0.00 C ATOM 282 CE LYS A 21 -9.169 -3.734 5.904 1.00 0.00 C ATOM 283 NZ LYS A 21 -9.270 -3.212 7.294 1.00 0.00 N ATOM 0 H LYS A 21 -7.444 -2.178 1.134 1.00 0.00 H new ATOM 0 HA LYS A 21 -6.725 -4.861 1.675 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -7.229 -2.812 3.237 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -8.902 -3.315 3.099 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -8.402 -5.488 4.062 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -6.679 -5.170 4.017 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -7.313 -4.753 6.265 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -7.129 -3.164 5.550 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -9.563 -2.993 5.208 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -9.789 -4.625 5.805 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -10.263 -2.995 7.512 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -8.918 -3.929 7.960 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -8.699 -2.347 7.382 1.00 0.00 H new ATOM 297 N ASP A 22 -9.726 -4.339 0.491 1.00 0.00 N ATOM 298 CA ASP A 22 -10.917 -4.996 -0.034 1.00 0.00 C ATOM 299 C ASP A 22 -10.542 -6.080 -1.039 1.00 0.00 C ATOM 300 O ASP A 22 -11.029 -7.208 -0.961 1.00 0.00 O ATOM 301 CB ASP A 22 -11.842 -3.971 -0.692 1.00 0.00 C ATOM 302 CG ASP A 22 -13.260 -4.485 -0.845 1.00 0.00 C ATOM 303 OD1 ASP A 22 -14.012 -4.461 0.152 1.00 0.00 O ATOM 304 OD2 ASP A 22 -13.619 -4.911 -1.963 1.00 0.00 O ATOM 0 H ASP A 22 -9.681 -3.337 0.306 1.00 0.00 H new ATOM 0 HA ASP A 22 -11.440 -5.465 0.799 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -11.852 -3.059 -0.095 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -11.447 -3.706 -1.673 1.00 0.00 H new ATOM 309 N ILE A 23 -9.675 -5.729 -1.983 1.00 0.00 N ATOM 310 CA ILE A 23 -9.235 -6.672 -3.004 1.00 0.00 C ATOM 311 C ILE A 23 -8.414 -7.802 -2.391 1.00 0.00 C ATOM 312 O ILE A 23 -8.810 -8.967 -2.436 1.00 0.00 O ATOM 313 CB ILE A 23 -8.396 -5.974 -4.091 1.00 0.00 C ATOM 314 CG1 ILE A 23 -9.297 -5.141 -5.005 1.00 0.00 C ATOM 315 CG2 ILE A 23 -7.617 -7.001 -4.899 1.00 0.00 C ATOM 316 CD1 ILE A 23 -8.541 -4.138 -5.848 1.00 0.00 C ATOM 0 H ILE A 23 -9.264 -4.799 -2.062 1.00 0.00 H new ATOM 0 HA ILE A 23 -10.134 -7.086 -3.461 1.00 0.00 H new ATOM 0 HB ILE A 23 -7.684 -5.305 -3.607 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -9.852 -5.810 -5.662 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -10.030 -4.612 -4.395 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -7.029 -6.493 -5.663 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -6.951 -7.555 -4.238 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -8.312 -7.692 -5.376 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -9.243 -3.584 -6.471 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -8.007 -3.445 -5.198 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -7.827 -4.662 -6.484 1.00 0.00 H new ATOM 328 N LEU A 24 -7.269 -7.449 -1.817 1.00 0.00 N ATOM 329 CA LEU A 24 -6.391 -8.434 -1.193 1.00 0.00 C ATOM 330 C LEU A 24 -7.170 -9.324 -0.230 1.00 0.00 C ATOM 331 O LEU A 24 -6.762 -10.448 0.059 1.00 0.00 O ATOM 332 CB LEU A 24 -5.254 -7.732 -0.449 1.00 0.00 C ATOM 333 CG LEU A 24 -4.434 -6.732 -1.265 1.00 0.00 C ATOM 334 CD1 LEU A 24 -3.640 -5.816 -0.346 1.00 0.00 C ATOM 335 CD2 LEU A 24 -3.507 -7.460 -2.227 1.00 0.00 C ATOM 0 H LEU A 24 -6.927 -6.489 -1.771 1.00 0.00 H new ATOM 0 HA LEU A 24 -5.971 -9.061 -1.979 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -5.676 -7.210 0.410 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -4.578 -8.493 -0.059 1.00 0.00 H new ATOM 0 HG LEU A 24 -5.121 -6.120 -1.849 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -3.063 -5.111 -0.945 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -4.325 -5.267 0.301 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -2.963 -6.412 0.266 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -2.932 -6.732 -2.799 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -2.827 -8.098 -1.664 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -4.098 -8.072 -2.909 1.00 0.00 H new ATOM 347 N MET A 25 -8.295 -8.815 0.261 1.00 0.00 N ATOM 348 CA MET A 25 -9.133 -9.566 1.188 1.00 0.00 C ATOM 349 C MET A 25 -9.817 -10.732 0.481 1.00 0.00 C ATOM 350 O MET A 25 -9.952 -11.819 1.043 1.00 0.00 O ATOM 351 CB MET A 25 -10.185 -8.649 1.816 1.00 0.00 C ATOM 352 CG MET A 25 -9.717 -7.976 3.096 1.00 0.00 C ATOM 353 SD MET A 25 -10.076 -8.954 4.567 1.00 0.00 S ATOM 354 CE MET A 25 -8.426 -9.450 5.056 1.00 0.00 C ATOM 0 H MET A 25 -8.647 -7.885 0.032 1.00 0.00 H new ATOM 0 HA MET A 25 -8.493 -9.966 1.974 1.00 0.00 H new ATOM 0 HB2 MET A 25 -10.465 -7.882 1.093 1.00 0.00 H new ATOM 0 HB3 MET A 25 -11.082 -9.230 2.028 1.00 0.00 H new ATOM 0 HG2 MET A 25 -8.643 -7.798 3.036 1.00 0.00 H new ATOM 0 HG3 MET A 25 -10.197 -7.002 3.186 1.00 0.00 H new ATOM 0 HE1 MET A 25 -8.483 -10.353 5.665 1.00 0.00 H new ATOM 0 HE2 MET A 25 -7.827 -9.649 4.167 1.00 0.00 H new ATOM 0 HE3 MET A 25 -7.962 -8.651 5.634 1.00 0.00 H new ATOM 364 N LYS A 26 -10.246 -10.499 -0.755 1.00 0.00 N ATOM 365 CA LYS A 26 -10.914 -11.530 -1.540 1.00 0.00 C ATOM 366 C LYS A 26 -9.898 -12.400 -2.273 1.00 0.00 C ATOM 367 O LYS A 26 -10.163 -13.566 -2.567 1.00 0.00 O ATOM 368 CB LYS A 26 -11.874 -10.891 -2.547 1.00 0.00 C ATOM 369 CG LYS A 26 -12.245 -11.808 -3.700 1.00 0.00 C ATOM 370 CD LYS A 26 -11.238 -11.712 -4.834 1.00 0.00 C ATOM 371 CE LYS A 26 -11.856 -12.119 -6.163 1.00 0.00 C ATOM 372 NZ LYS A 26 -12.727 -11.047 -6.721 1.00 0.00 N ATOM 0 H LYS A 26 -10.143 -9.605 -1.235 1.00 0.00 H new ATOM 0 HA LYS A 26 -11.481 -12.162 -0.856 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -12.783 -10.588 -2.028 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -11.418 -9.985 -2.946 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -12.298 -12.837 -3.345 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -13.237 -11.547 -4.069 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -10.863 -10.691 -4.903 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -10.383 -12.352 -4.618 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -11.065 -12.352 -6.876 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -12.441 -13.029 -6.028 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -13.006 -11.297 -7.691 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -13.577 -10.948 -6.130 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -12.206 -10.147 -6.731 1.00 0.00 H new ATOM 386 N ARG A 27 -8.735 -11.827 -2.563 1.00 0.00 N ATOM 387 CA ARG A 27 -7.679 -12.551 -3.261 1.00 0.00 C ATOM 388 C ARG A 27 -6.921 -13.464 -2.303 1.00 0.00 C ATOM 389 O ARG A 27 -6.332 -14.465 -2.715 1.00 0.00 O ATOM 390 CB ARG A 27 -6.710 -11.570 -3.923 1.00 0.00 C ATOM 391 CG ARG A 27 -7.392 -10.551 -4.820 1.00 0.00 C ATOM 392 CD ARG A 27 -7.950 -11.200 -6.077 1.00 0.00 C ATOM 393 NE ARG A 27 -6.894 -11.756 -6.920 1.00 0.00 N ATOM 394 CZ ARG A 27 -7.124 -12.571 -7.943 1.00 0.00 C ATOM 395 NH1 ARG A 27 -8.365 -12.924 -8.249 1.00 0.00 N ATOM 396 NH2 ARG A 27 -6.111 -13.035 -8.664 1.00 0.00 N ATOM 0 H ARG A 27 -8.500 -10.863 -2.326 1.00 0.00 H new ATOM 0 HA ARG A 27 -8.143 -13.167 -4.031 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -6.153 -11.044 -3.148 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -5.984 -12.131 -4.512 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -8.199 -10.064 -4.272 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -6.680 -9.773 -5.096 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -8.646 -11.991 -5.798 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -8.517 -10.462 -6.645 1.00 0.00 H new ATOM 0 HE ARG A 27 -5.928 -11.505 -6.711 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -9.147 -12.569 -7.698 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -8.538 -13.550 -9.035 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -5.155 -12.766 -8.433 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -6.289 -13.661 -9.450 1.00 0.00 H new ATOM 410 N LEU A 28 -6.938 -13.113 -1.022 1.00 0.00 N ATOM 411 CA LEU A 28 -6.251 -13.900 -0.003 1.00 0.00 C ATOM 412 C LEU A 28 -7.194 -14.923 0.622 1.00 0.00 C ATOM 413 O LEU A 28 -6.776 -16.017 1.005 1.00 0.00 O ATOM 414 CB LEU A 28 -5.684 -12.983 1.082 1.00 0.00 C ATOM 415 CG LEU A 28 -6.659 -12.561 2.182 1.00 0.00 C ATOM 416 CD1 LEU A 28 -6.883 -13.702 3.162 1.00 0.00 C ATOM 417 CD2 LEU A 28 -6.145 -11.326 2.906 1.00 0.00 C ATOM 0 H LEU A 28 -7.420 -12.289 -0.664 1.00 0.00 H new ATOM 0 HA LEU A 28 -5.431 -14.434 -0.483 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -4.837 -13.486 1.549 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -5.296 -12.084 0.603 1.00 0.00 H new ATOM 0 HG LEU A 28 -7.614 -12.314 1.719 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -7.579 -13.384 3.938 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -7.297 -14.560 2.633 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -5.933 -13.981 3.619 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -6.852 -11.040 3.685 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -5.177 -11.545 3.357 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -6.037 -10.506 2.196 1.00 0.00 H new ATOM 429 N THR A 29 -8.470 -14.562 0.720 1.00 0.00 N ATOM 430 CA THR A 29 -9.472 -15.449 1.297 1.00 0.00 C ATOM 431 C THR A 29 -9.905 -16.515 0.297 1.00 0.00 C ATOM 432 O THR A 29 -10.503 -17.524 0.670 1.00 0.00 O ATOM 433 CB THR A 29 -10.714 -14.665 1.763 1.00 0.00 C ATOM 434 OG1 THR A 29 -11.391 -15.389 2.796 1.00 0.00 O ATOM 435 CG2 THR A 29 -11.665 -14.418 0.602 1.00 0.00 C ATOM 0 H THR A 29 -8.833 -13.662 0.407 1.00 0.00 H new ATOM 0 HA THR A 29 -9.009 -15.930 2.159 1.00 0.00 H new ATOM 0 HB THR A 29 -10.384 -13.702 2.152 1.00 0.00 H new ATOM 0 HG1 THR A 29 -12.178 -14.883 3.088 1.00 0.00 H new ATOM 0 HG21 THR A 29 -12.534 -13.863 0.955 1.00 0.00 H new ATOM 0 HG22 THR A 29 -11.155 -13.841 -0.170 1.00 0.00 H new ATOM 0 HG23 THR A 29 -11.988 -15.373 0.187 1.00 0.00 H new ATOM 443 N ASP A 30 -9.598 -16.285 -0.975 1.00 0.00 N ATOM 444 CA ASP A 30 -9.953 -17.227 -2.030 1.00 0.00 C ATOM 445 C ASP A 30 -8.810 -18.202 -2.296 1.00 0.00 C ATOM 446 O ASP A 30 -9.032 -19.400 -2.471 1.00 0.00 O ATOM 447 CB ASP A 30 -10.309 -16.477 -3.315 1.00 0.00 C ATOM 448 CG ASP A 30 -10.675 -17.414 -4.449 1.00 0.00 C ATOM 449 OD1 ASP A 30 -9.757 -18.032 -5.028 1.00 0.00 O ATOM 450 OD2 ASP A 30 -11.879 -17.529 -4.758 1.00 0.00 O ATOM 0 H ASP A 30 -9.104 -15.454 -1.300 1.00 0.00 H new ATOM 0 HA ASP A 30 -10.822 -17.795 -1.698 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -11.144 -15.804 -3.120 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -9.464 -15.858 -3.617 1.00 0.00 H new ATOM 455 N SER A 31 -7.589 -17.680 -2.325 1.00 0.00 N ATOM 456 CA SER A 31 -6.411 -18.503 -2.574 1.00 0.00 C ATOM 457 C SER A 31 -6.064 -19.340 -1.347 1.00 0.00 C ATOM 458 O SER A 31 -6.734 -19.260 -0.318 1.00 0.00 O ATOM 459 CB SER A 31 -5.220 -17.624 -2.960 1.00 0.00 C ATOM 460 OG SER A 31 -4.868 -16.749 -1.901 1.00 0.00 O ATOM 0 H SER A 31 -7.389 -16.691 -2.179 1.00 0.00 H new ATOM 0 HA SER A 31 -6.638 -19.177 -3.400 1.00 0.00 H new ATOM 0 HB2 SER A 31 -4.367 -18.253 -3.215 1.00 0.00 H new ATOM 0 HB3 SER A 31 -5.465 -17.044 -3.849 1.00 0.00 H new ATOM 0 HG SER A 31 -5.292 -15.877 -2.043 1.00 0.00 H new ATOM 466 N ASN A 32 -5.011 -20.143 -1.464 1.00 0.00 N ATOM 467 CA ASN A 32 -4.574 -20.996 -0.365 1.00 0.00 C ATOM 468 C ASN A 32 -3.700 -20.217 0.614 1.00 0.00 C ATOM 469 O ASN A 32 -2.683 -20.721 1.092 1.00 0.00 O ATOM 470 CB ASN A 32 -3.803 -22.203 -0.904 1.00 0.00 C ATOM 471 CG ASN A 32 -4.633 -23.038 -1.860 1.00 0.00 C ATOM 472 OD1 ASN A 32 -5.078 -22.553 -2.900 1.00 0.00 O ATOM 473 ND2 ASN A 32 -4.845 -24.302 -1.511 1.00 0.00 N ATOM 0 H ASN A 32 -4.445 -20.221 -2.309 1.00 0.00 H new ATOM 0 HA ASN A 32 -5.460 -21.346 0.165 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -2.903 -21.858 -1.414 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -3.478 -22.825 -0.070 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -5.396 -24.912 -2.115 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -4.457 -24.662 -0.639 1.00 0.00 H new ATOM 480 N LEU A 33 -4.104 -18.986 0.908 1.00 0.00 N ATOM 481 CA LEU A 33 -3.359 -18.136 1.830 1.00 0.00 C ATOM 482 C LEU A 33 -4.029 -18.103 3.201 1.00 0.00 C ATOM 483 O LEU A 33 -5.220 -17.813 3.315 1.00 0.00 O ATOM 484 CB LEU A 33 -3.247 -16.717 1.270 1.00 0.00 C ATOM 485 CG LEU A 33 -2.234 -16.519 0.142 1.00 0.00 C ATOM 486 CD1 LEU A 33 -2.338 -15.113 -0.428 1.00 0.00 C ATOM 487 CD2 LEU A 33 -0.822 -16.793 0.639 1.00 0.00 C ATOM 0 H LEU A 33 -4.943 -18.554 0.521 1.00 0.00 H new ATOM 0 HA LEU A 33 -2.359 -18.554 1.944 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -4.229 -16.412 0.907 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -2.987 -16.045 2.087 1.00 0.00 H new ATOM 0 HG LEU A 33 -2.461 -17.229 -0.654 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -1.610 -14.991 -1.230 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -3.342 -14.954 -0.822 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -2.137 -14.386 0.359 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -0.114 -16.647 -0.177 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -0.583 -16.108 1.453 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -0.755 -17.820 0.998 1.00 0.00 H new ATOM 499 N LYS A 34 -3.254 -18.400 4.239 1.00 0.00 N ATOM 500 CA LYS A 34 -3.770 -18.401 5.603 1.00 0.00 C ATOM 501 C LYS A 34 -3.218 -17.218 6.394 1.00 0.00 C ATOM 502 O LYS A 34 -2.986 -17.319 7.598 1.00 0.00 O ATOM 503 CB LYS A 34 -3.408 -19.711 6.306 1.00 0.00 C ATOM 504 CG LYS A 34 -4.198 -19.956 7.580 1.00 0.00 C ATOM 505 CD LYS A 34 -5.554 -20.575 7.284 1.00 0.00 C ATOM 506 CE LYS A 34 -6.513 -20.401 8.453 1.00 0.00 C ATOM 507 NZ LYS A 34 -6.106 -21.218 9.630 1.00 0.00 N ATOM 0 H LYS A 34 -2.266 -18.643 4.162 1.00 0.00 H new ATOM 0 HA LYS A 34 -4.855 -18.309 5.555 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -3.576 -20.541 5.619 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -2.344 -19.704 6.544 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -3.632 -20.614 8.239 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -4.335 -19.014 8.111 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -5.979 -20.114 6.392 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -5.431 -21.636 7.067 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -6.553 -19.349 8.737 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -7.519 -20.686 8.143 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -6.784 -21.072 10.405 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -6.093 -22.224 9.366 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -5.157 -20.929 9.942 1.00 0.00 H new ATOM 521 N VAL A 35 -3.012 -16.098 5.708 1.00 0.00 N ATOM 522 CA VAL A 35 -2.491 -14.896 6.347 1.00 0.00 C ATOM 523 C VAL A 35 -3.577 -14.181 7.143 1.00 0.00 C ATOM 524 O VAL A 35 -4.756 -14.198 6.787 1.00 0.00 O ATOM 525 CB VAL A 35 -1.903 -13.920 5.311 1.00 0.00 C ATOM 526 CG1 VAL A 35 -0.890 -14.628 4.425 1.00 0.00 C ATOM 527 CG2 VAL A 35 -3.012 -13.298 4.476 1.00 0.00 C ATOM 0 H VAL A 35 -3.198 -15.998 4.710 1.00 0.00 H new ATOM 0 HA VAL A 35 -1.699 -15.216 7.025 1.00 0.00 H new ATOM 0 HB VAL A 35 -1.388 -13.120 5.843 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -0.485 -13.922 3.699 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -0.080 -15.020 5.040 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -1.377 -15.449 3.900 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -2.579 -12.611 3.749 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -3.557 -14.083 3.953 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -3.696 -12.753 5.127 1.00 0.00 H new ATOM 537 N PRO A 36 -3.174 -13.537 8.248 1.00 0.00 N ATOM 538 CA PRO A 36 -4.098 -12.803 9.118 1.00 0.00 C ATOM 539 C PRO A 36 -4.634 -11.537 8.457 1.00 0.00 C ATOM 540 O PRO A 36 -3.915 -10.856 7.727 1.00 0.00 O ATOM 541 CB PRO A 36 -3.236 -12.448 10.332 1.00 0.00 C ATOM 542 CG PRO A 36 -1.840 -12.429 9.813 1.00 0.00 C ATOM 543 CD PRO A 36 -1.785 -13.475 8.733 1.00 0.00 C ATOM 0 HA PRO A 36 -4.982 -13.392 9.363 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -3.517 -11.480 10.748 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -3.352 -13.183 11.129 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -1.584 -11.446 9.418 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -1.126 -12.649 10.606 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -1.094 -13.196 7.938 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -1.452 -14.437 9.122 1.00 0.00 H new ATOM 551 N GLU A 37 -5.901 -11.230 8.719 1.00 0.00 N ATOM 552 CA GLU A 37 -6.532 -10.045 8.148 1.00 0.00 C ATOM 553 C GLU A 37 -5.586 -8.849 8.195 1.00 0.00 C ATOM 554 O GLU A 37 -5.464 -8.104 7.223 1.00 0.00 O ATOM 555 CB GLU A 37 -7.824 -9.717 8.899 1.00 0.00 C ATOM 556 CG GLU A 37 -8.410 -8.362 8.539 1.00 0.00 C ATOM 557 CD GLU A 37 -7.561 -7.209 9.038 1.00 0.00 C ATOM 558 OE1 GLU A 37 -7.348 -7.116 10.265 1.00 0.00 O ATOM 559 OE2 GLU A 37 -7.110 -6.399 8.201 1.00 0.00 O ATOM 0 H GLU A 37 -6.510 -11.784 9.322 1.00 0.00 H new ATOM 0 HA GLU A 37 -6.770 -10.257 7.106 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -8.563 -10.490 8.689 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -7.629 -9.746 9.971 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -8.513 -8.291 7.456 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -9.412 -8.280 8.960 1.00 0.00 H new ATOM 566 N GLU A 38 -4.920 -8.672 9.331 1.00 0.00 N ATOM 567 CA GLU A 38 -3.986 -7.566 9.505 1.00 0.00 C ATOM 568 C GLU A 38 -3.052 -7.449 8.304 1.00 0.00 C ATOM 569 O GLU A 38 -2.798 -6.352 7.804 1.00 0.00 O ATOM 570 CB GLU A 38 -3.169 -7.755 10.784 1.00 0.00 C ATOM 571 CG GLU A 38 -2.747 -6.448 11.435 1.00 0.00 C ATOM 572 CD GLU A 38 -3.803 -5.897 12.374 1.00 0.00 C ATOM 573 OE1 GLU A 38 -4.999 -6.179 12.152 1.00 0.00 O ATOM 574 OE2 GLU A 38 -3.433 -5.184 13.330 1.00 0.00 O ATOM 0 H GLU A 38 -5.010 -9.280 10.145 1.00 0.00 H new ATOM 0 HA GLU A 38 -4.564 -6.645 9.585 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -3.755 -8.334 11.498 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -2.279 -8.340 10.553 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -1.820 -6.604 11.988 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -2.536 -5.712 10.660 1.00 0.00 H new ATOM 581 N LYS A 39 -2.543 -8.587 7.845 1.00 0.00 N ATOM 582 CA LYS A 39 -1.637 -8.615 6.702 1.00 0.00 C ATOM 583 C LYS A 39 -2.079 -7.621 5.633 1.00 0.00 C ATOM 584 O LYS A 39 -1.415 -6.613 5.397 1.00 0.00 O ATOM 585 CB LYS A 39 -1.574 -10.024 6.110 1.00 0.00 C ATOM 586 CG LYS A 39 -0.768 -10.109 4.825 1.00 0.00 C ATOM 587 CD LYS A 39 0.726 -10.112 5.103 1.00 0.00 C ATOM 588 CE LYS A 39 1.291 -8.700 5.124 1.00 0.00 C ATOM 589 NZ LYS A 39 2.463 -8.585 6.036 1.00 0.00 N ATOM 0 H LYS A 39 -2.742 -9.503 8.247 1.00 0.00 H new ATOM 0 HA LYS A 39 -0.644 -8.329 7.050 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -1.139 -10.699 6.847 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -2.588 -10.373 5.917 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -1.040 -11.015 4.283 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -1.018 -9.265 4.181 1.00 0.00 H new ATOM 0 HD2 LYS A 39 0.918 -10.596 6.060 1.00 0.00 H new ATOM 0 HD3 LYS A 39 1.238 -10.699 4.340 1.00 0.00 H new ATOM 0 HE2 LYS A 39 1.586 -8.412 4.115 1.00 0.00 H new ATOM 0 HE3 LYS A 39 0.515 -8.003 5.440 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 2.819 -7.608 6.022 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 2.176 -8.835 7.004 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 3.214 -9.231 5.720 1.00 0.00 H new ATOM 603 N ALA A 40 -3.205 -7.913 4.990 1.00 0.00 N ATOM 604 CA ALA A 40 -3.738 -7.044 3.949 1.00 0.00 C ATOM 605 C ALA A 40 -3.724 -5.585 4.391 1.00 0.00 C ATOM 606 O ALA A 40 -3.137 -4.730 3.728 1.00 0.00 O ATOM 607 CB ALA A 40 -5.150 -7.470 3.575 1.00 0.00 C ATOM 0 H ALA A 40 -3.766 -8.745 5.172 1.00 0.00 H new ATOM 0 HA ALA A 40 -3.098 -7.137 3.071 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -5.535 -6.811 2.796 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -5.135 -8.496 3.208 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -5.793 -7.408 4.453 1.00 0.00 H new ATOM 613 N ALA A 41 -4.374 -5.306 5.516 1.00 0.00 N ATOM 614 CA ALA A 41 -4.435 -3.950 6.048 1.00 0.00 C ATOM 615 C ALA A 41 -3.050 -3.313 6.086 1.00 0.00 C ATOM 616 O ALA A 41 -2.775 -2.358 5.360 1.00 0.00 O ATOM 617 CB ALA A 41 -5.054 -3.956 7.438 1.00 0.00 C ATOM 0 H ALA A 41 -4.866 -6.001 6.077 1.00 0.00 H new ATOM 0 HA ALA A 41 -5.062 -3.354 5.386 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -5.093 -2.937 7.823 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -6.064 -4.363 7.385 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -4.449 -4.572 8.103 1.00 0.00 H new ATOM 623 N LYS A 42 -2.181 -3.847 6.938 1.00 0.00 N ATOM 624 CA LYS A 42 -0.824 -3.331 7.071 1.00 0.00 C ATOM 625 C LYS A 42 -0.260 -2.927 5.713 1.00 0.00 C ATOM 626 O LYS A 42 0.190 -1.796 5.528 1.00 0.00 O ATOM 627 CB LYS A 42 0.081 -4.381 7.719 1.00 0.00 C ATOM 628 CG LYS A 42 -0.298 -4.710 9.152 1.00 0.00 C ATOM 629 CD LYS A 42 0.607 -5.781 9.737 1.00 0.00 C ATOM 630 CE LYS A 42 0.746 -5.632 11.244 1.00 0.00 C ATOM 631 NZ LYS A 42 1.271 -6.872 11.879 1.00 0.00 N ATOM 0 H LYS A 42 -2.393 -4.637 7.547 1.00 0.00 H new ATOM 0 HA LYS A 42 -0.859 -2.447 7.708 1.00 0.00 H new ATOM 0 HB2 LYS A 42 0.047 -5.294 7.125 1.00 0.00 H new ATOM 0 HB3 LYS A 42 1.111 -4.024 7.697 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -0.237 -3.808 9.761 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -1.333 -5.049 9.187 1.00 0.00 H new ATOM 0 HD2 LYS A 42 0.204 -6.766 9.504 1.00 0.00 H new ATOM 0 HD3 LYS A 42 1.591 -5.721 9.272 1.00 0.00 H new ATOM 0 HE2 LYS A 42 1.414 -4.800 11.466 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -0.224 -5.386 11.675 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 1.351 -6.729 12.906 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 0.621 -7.661 11.689 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 2.208 -7.093 11.486 1.00 0.00 H new ATOM 645 N VAL A 43 -0.289 -3.858 4.764 1.00 0.00 N ATOM 646 CA VAL A 43 0.217 -3.597 3.422 1.00 0.00 C ATOM 647 C VAL A 43 -0.391 -2.325 2.842 1.00 0.00 C ATOM 648 O VAL A 43 0.326 -1.410 2.437 1.00 0.00 O ATOM 649 CB VAL A 43 -0.079 -4.773 2.472 1.00 0.00 C ATOM 650 CG1 VAL A 43 0.223 -4.386 1.032 1.00 0.00 C ATOM 651 CG2 VAL A 43 0.719 -6.002 2.881 1.00 0.00 C ATOM 0 H VAL A 43 -0.658 -4.799 4.900 1.00 0.00 H new ATOM 0 HA VAL A 43 1.296 -3.473 3.510 1.00 0.00 H new ATOM 0 HB VAL A 43 -1.139 -5.016 2.543 1.00 0.00 H new ATOM 0 HG11 VAL A 43 0.008 -5.229 0.376 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -0.397 -3.536 0.746 1.00 0.00 H new ATOM 0 HG13 VAL A 43 1.275 -4.115 0.941 1.00 0.00 H new ATOM 0 HG21 VAL A 43 0.498 -6.823 2.199 1.00 0.00 H new ATOM 0 HG22 VAL A 43 1.784 -5.774 2.841 1.00 0.00 H new ATOM 0 HG23 VAL A 43 0.448 -6.291 3.897 1.00 0.00 H new ATOM 661 N ALA A 44 -1.718 -2.273 2.807 1.00 0.00 N ATOM 662 CA ALA A 44 -2.424 -1.112 2.280 1.00 0.00 C ATOM 663 C ALA A 44 -1.980 0.166 2.983 1.00 0.00 C ATOM 664 O ALA A 44 -1.566 1.131 2.340 1.00 0.00 O ATOM 665 CB ALA A 44 -3.927 -1.299 2.420 1.00 0.00 C ATOM 0 H ALA A 44 -2.326 -3.022 3.138 1.00 0.00 H new ATOM 0 HA ALA A 44 -2.178 -1.018 1.222 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -4.441 -0.424 2.022 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -4.237 -2.185 1.866 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -4.182 -1.422 3.473 1.00 0.00 H new ATOM 671 N THR A 45 -2.070 0.168 4.310 1.00 0.00 N ATOM 672 CA THR A 45 -1.680 1.328 5.101 1.00 0.00 C ATOM 673 C THR A 45 -0.329 1.872 4.650 1.00 0.00 C ATOM 674 O THR A 45 -0.067 3.071 4.746 1.00 0.00 O ATOM 675 CB THR A 45 -1.608 0.986 6.601 1.00 0.00 C ATOM 676 OG1 THR A 45 -2.777 0.259 6.995 1.00 0.00 O ATOM 677 CG2 THR A 45 -1.485 2.250 7.439 1.00 0.00 C ATOM 0 H THR A 45 -2.410 -0.622 4.859 1.00 0.00 H new ATOM 0 HA THR A 45 -2.445 2.089 4.945 1.00 0.00 H new ATOM 0 HB THR A 45 -0.724 0.370 6.768 1.00 0.00 H new ATOM 0 HG1 THR A 45 -2.722 0.044 7.950 1.00 0.00 H new ATOM 0 HG21 THR A 45 -1.436 1.983 8.495 1.00 0.00 H new ATOM 0 HG22 THR A 45 -0.579 2.786 7.158 1.00 0.00 H new ATOM 0 HG23 THR A 45 -2.352 2.887 7.266 1.00 0.00 H new ATOM 685 N LYS A 46 0.527 0.983 4.157 1.00 0.00 N ATOM 686 CA LYS A 46 1.852 1.373 3.689 1.00 0.00 C ATOM 687 C LYS A 46 1.774 2.006 2.304 1.00 0.00 C ATOM 688 O LYS A 46 2.311 3.091 2.076 1.00 0.00 O ATOM 689 CB LYS A 46 2.782 0.158 3.655 1.00 0.00 C ATOM 690 CG LYS A 46 3.519 -0.081 4.961 1.00 0.00 C ATOM 691 CD LYS A 46 2.638 -0.790 5.977 1.00 0.00 C ATOM 692 CE LYS A 46 3.283 -0.813 7.354 1.00 0.00 C ATOM 693 NZ LYS A 46 2.866 -2.006 8.142 1.00 0.00 N ATOM 0 H LYS A 46 0.326 -0.013 4.071 1.00 0.00 H new ATOM 0 HA LYS A 46 2.254 2.110 4.384 1.00 0.00 H new ATOM 0 HB2 LYS A 46 2.198 -0.729 3.410 1.00 0.00 H new ATOM 0 HB3 LYS A 46 3.511 0.291 2.855 1.00 0.00 H new ATOM 0 HG2 LYS A 46 4.411 -0.678 4.772 1.00 0.00 H new ATOM 0 HG3 LYS A 46 3.854 0.872 5.371 1.00 0.00 H new ATOM 0 HD2 LYS A 46 1.672 -0.289 6.035 1.00 0.00 H new ATOM 0 HD3 LYS A 46 2.448 -1.811 5.646 1.00 0.00 H new ATOM 0 HE2 LYS A 46 4.368 -0.809 7.247 1.00 0.00 H new ATOM 0 HE3 LYS A 46 3.013 0.093 7.897 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 3.327 -1.985 9.074 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 1.833 -1.996 8.266 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 3.146 -2.871 7.637 1.00 0.00 H new ATOM 707 N ILE A 47 1.102 1.324 1.383 1.00 0.00 N ATOM 708 CA ILE A 47 0.952 1.822 0.021 1.00 0.00 C ATOM 709 C ILE A 47 0.786 3.337 0.005 1.00 0.00 C ATOM 710 O ILE A 47 1.543 4.048 -0.656 1.00 0.00 O ATOM 711 CB ILE A 47 -0.255 1.177 -0.685 1.00 0.00 C ATOM 712 CG1 ILE A 47 -0.143 -0.349 -0.642 1.00 0.00 C ATOM 713 CG2 ILE A 47 -0.351 1.666 -2.122 1.00 0.00 C ATOM 714 CD1 ILE A 47 1.219 -0.866 -1.050 1.00 0.00 C ATOM 0 H ILE A 47 0.653 0.425 1.555 1.00 0.00 H new ATOM 0 HA ILE A 47 1.862 1.553 -0.515 1.00 0.00 H new ATOM 0 HB ILE A 47 -1.164 1.471 -0.160 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -0.366 -0.693 0.368 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -0.898 -0.779 -1.300 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -1.209 1.201 -2.608 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -0.472 2.749 -2.130 1.00 0.00 H new ATOM 0 HG23 ILE A 47 0.559 1.398 -2.659 1.00 0.00 H new ATOM 0 HD11 ILE A 47 1.226 -1.955 -0.996 1.00 0.00 H new ATOM 0 HD12 ILE A 47 1.437 -0.552 -2.071 1.00 0.00 H new ATOM 0 HD13 ILE A 47 1.977 -0.465 -0.377 1.00 0.00 H new ATOM 726 N GLU A 48 -0.209 3.826 0.739 1.00 0.00 N ATOM 727 CA GLU A 48 -0.474 5.258 0.810 1.00 0.00 C ATOM 728 C GLU A 48 0.669 5.989 1.507 1.00 0.00 C ATOM 729 O GLU A 48 1.246 6.929 0.960 1.00 0.00 O ATOM 730 CB GLU A 48 -1.788 5.520 1.550 1.00 0.00 C ATOM 731 CG GLU A 48 -3.013 4.999 0.818 1.00 0.00 C ATOM 732 CD GLU A 48 -2.932 3.512 0.531 1.00 0.00 C ATOM 733 OE1 GLU A 48 -3.263 2.715 1.435 1.00 0.00 O ATOM 734 OE2 GLU A 48 -2.539 3.145 -0.596 1.00 0.00 O ATOM 0 H GLU A 48 -0.844 3.251 1.293 1.00 0.00 H new ATOM 0 HA GLU A 48 -0.557 5.637 -0.209 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -1.739 5.056 2.535 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -1.899 6.593 1.708 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -3.902 5.202 1.415 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -3.129 5.541 -0.121 1.00 0.00 H new ATOM 741 N LYS A 49 0.993 5.550 2.719 1.00 0.00 N ATOM 742 CA LYS A 49 2.067 6.161 3.493 1.00 0.00 C ATOM 743 C LYS A 49 3.211 6.599 2.584 1.00 0.00 C ATOM 744 O LYS A 49 3.748 7.696 2.733 1.00 0.00 O ATOM 745 CB LYS A 49 2.586 5.179 4.546 1.00 0.00 C ATOM 746 CG LYS A 49 3.281 5.853 5.716 1.00 0.00 C ATOM 747 CD LYS A 49 3.767 4.838 6.737 1.00 0.00 C ATOM 748 CE LYS A 49 4.635 5.490 7.802 1.00 0.00 C ATOM 749 NZ LYS A 49 3.817 6.130 8.869 1.00 0.00 N ATOM 0 H LYS A 49 0.527 4.773 3.186 1.00 0.00 H new ATOM 0 HA LYS A 49 1.665 7.042 3.993 1.00 0.00 H new ATOM 0 HB2 LYS A 49 1.751 4.588 4.922 1.00 0.00 H new ATOM 0 HB3 LYS A 49 3.280 4.485 4.072 1.00 0.00 H new ATOM 0 HG2 LYS A 49 4.126 6.436 5.351 1.00 0.00 H new ATOM 0 HG3 LYS A 49 2.595 6.552 6.195 1.00 0.00 H new ATOM 0 HD2 LYS A 49 2.911 4.356 7.209 1.00 0.00 H new ATOM 0 HD3 LYS A 49 4.334 4.056 6.232 1.00 0.00 H new ATOM 0 HE2 LYS A 49 5.289 4.740 8.247 1.00 0.00 H new ATOM 0 HE3 LYS A 49 5.277 6.239 7.339 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 4.445 6.563 9.576 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 3.211 6.863 8.449 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 3.222 5.411 9.329 1.00 0.00 H new ATOM 763 N GLU A 50 3.577 5.735 1.642 1.00 0.00 N ATOM 764 CA GLU A 50 4.656 6.036 0.709 1.00 0.00 C ATOM 765 C GLU A 50 4.149 6.879 -0.458 1.00 0.00 C ATOM 766 O GLU A 50 4.686 7.949 -0.745 1.00 0.00 O ATOM 767 CB GLU A 50 5.281 4.741 0.183 1.00 0.00 C ATOM 768 CG GLU A 50 6.321 4.964 -0.902 1.00 0.00 C ATOM 769 CD GLU A 50 7.644 5.458 -0.349 1.00 0.00 C ATOM 770 OE1 GLU A 50 8.485 4.613 0.022 1.00 0.00 O ATOM 771 OE2 GLU A 50 7.838 6.690 -0.288 1.00 0.00 O ATOM 0 H GLU A 50 3.143 4.822 1.505 1.00 0.00 H new ATOM 0 HA GLU A 50 5.415 6.607 1.244 1.00 0.00 H new ATOM 0 HB2 GLU A 50 5.743 4.207 1.013 1.00 0.00 H new ATOM 0 HB3 GLU A 50 4.492 4.099 -0.208 1.00 0.00 H new ATOM 0 HG2 GLU A 50 6.483 4.031 -1.442 1.00 0.00 H new ATOM 0 HG3 GLU A 50 5.940 5.688 -1.622 1.00 0.00 H new ATOM 778 N LEU A 51 3.111 6.388 -1.127 1.00 0.00 N ATOM 779 CA LEU A 51 2.530 7.095 -2.263 1.00 0.00 C ATOM 780 C LEU A 51 2.384 8.583 -1.961 1.00 0.00 C ATOM 781 O LEU A 51 2.979 9.425 -2.634 1.00 0.00 O ATOM 782 CB LEU A 51 1.167 6.498 -2.617 1.00 0.00 C ATOM 783 CG LEU A 51 0.760 6.582 -4.089 1.00 0.00 C ATOM 784 CD1 LEU A 51 1.345 5.416 -4.871 1.00 0.00 C ATOM 785 CD2 LEU A 51 -0.756 6.609 -4.222 1.00 0.00 C ATOM 0 H LEU A 51 2.655 5.504 -0.902 1.00 0.00 H new ATOM 0 HA LEU A 51 3.202 6.980 -3.114 1.00 0.00 H new ATOM 0 HB2 LEU A 51 1.163 5.450 -2.319 1.00 0.00 H new ATOM 0 HB3 LEU A 51 0.406 7.002 -2.021 1.00 0.00 H new ATOM 0 HG LEU A 51 1.158 7.508 -4.505 1.00 0.00 H new ATOM 0 HD11 LEU A 51 1.045 5.492 -5.916 1.00 0.00 H new ATOM 0 HD12 LEU A 51 2.433 5.441 -4.803 1.00 0.00 H new ATOM 0 HD13 LEU A 51 0.977 4.478 -4.455 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -1.028 6.669 -5.276 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -1.175 5.700 -3.790 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -1.152 7.477 -3.695 1.00 0.00 H new ATOM 797 N PHE A 52 1.589 8.900 -0.945 1.00 0.00 N ATOM 798 CA PHE A 52 1.365 10.287 -0.553 1.00 0.00 C ATOM 799 C PHE A 52 2.676 11.068 -0.546 1.00 0.00 C ATOM 800 O PHE A 52 2.752 12.178 -1.074 1.00 0.00 O ATOM 801 CB PHE A 52 0.715 10.349 0.831 1.00 0.00 C ATOM 802 CG PHE A 52 0.321 11.738 1.246 1.00 0.00 C ATOM 803 CD1 PHE A 52 -0.461 12.527 0.418 1.00 0.00 C ATOM 804 CD2 PHE A 52 0.732 12.254 2.464 1.00 0.00 C ATOM 805 CE1 PHE A 52 -0.825 13.805 0.796 1.00 0.00 C ATOM 806 CE2 PHE A 52 0.370 13.531 2.849 1.00 0.00 C ATOM 807 CZ PHE A 52 -0.409 14.308 2.013 1.00 0.00 C ATOM 0 H PHE A 52 1.089 8.215 -0.378 1.00 0.00 H new ATOM 0 HA PHE A 52 0.695 10.741 -1.283 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -0.169 9.712 0.837 1.00 0.00 H new ATOM 0 HB3 PHE A 52 1.407 9.941 1.567 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -0.790 12.138 -0.534 1.00 0.00 H new ATOM 0 HD2 PHE A 52 1.342 11.651 3.120 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -1.434 14.410 0.141 1.00 0.00 H new ATOM 0 HE2 PHE A 52 0.696 13.921 3.802 1.00 0.00 H new ATOM 0 HZ PHE A 52 -0.692 15.307 2.311 1.00 0.00 H new ATOM 817 N SER A 53 3.706 10.481 0.055 1.00 0.00 N ATOM 818 CA SER A 53 5.012 11.123 0.135 1.00 0.00 C ATOM 819 C SER A 53 5.620 11.292 -1.254 1.00 0.00 C ATOM 820 O SER A 53 5.910 12.408 -1.687 1.00 0.00 O ATOM 821 CB SER A 53 5.954 10.304 1.020 1.00 0.00 C ATOM 822 OG SER A 53 7.277 10.807 0.959 1.00 0.00 O ATOM 0 H SER A 53 3.661 9.561 0.494 1.00 0.00 H new ATOM 0 HA SER A 53 4.877 12.110 0.577 1.00 0.00 H new ATOM 0 HB2 SER A 53 5.600 10.326 2.051 1.00 0.00 H new ATOM 0 HB3 SER A 53 5.943 9.262 0.701 1.00 0.00 H new ATOM 0 HG SER A 53 7.859 10.268 1.534 1.00 0.00 H new ATOM 828 N PHE A 54 5.811 10.175 -1.949 1.00 0.00 N ATOM 829 CA PHE A 54 6.386 10.198 -3.289 1.00 0.00 C ATOM 830 C PHE A 54 5.851 11.381 -4.090 1.00 0.00 C ATOM 831 O PHE A 54 6.584 12.326 -4.387 1.00 0.00 O ATOM 832 CB PHE A 54 6.076 8.890 -4.022 1.00 0.00 C ATOM 833 CG PHE A 54 6.614 8.847 -5.423 1.00 0.00 C ATOM 834 CD1 PHE A 54 7.979 8.876 -5.657 1.00 0.00 C ATOM 835 CD2 PHE A 54 5.754 8.776 -6.507 1.00 0.00 C ATOM 836 CE1 PHE A 54 8.476 8.837 -6.946 1.00 0.00 C ATOM 837 CE2 PHE A 54 6.245 8.736 -7.799 1.00 0.00 C ATOM 838 CZ PHE A 54 7.608 8.766 -8.018 1.00 0.00 C ATOM 0 H PHE A 54 5.576 9.243 -1.607 1.00 0.00 H new ATOM 0 HA PHE A 54 7.466 10.306 -3.192 1.00 0.00 H new ATOM 0 HB2 PHE A 54 6.493 8.057 -3.455 1.00 0.00 H new ATOM 0 HB3 PHE A 54 4.996 8.746 -4.051 1.00 0.00 H new ATOM 0 HD1 PHE A 54 8.663 8.930 -4.823 1.00 0.00 H new ATOM 0 HD2 PHE A 54 4.687 8.752 -6.341 1.00 0.00 H new ATOM 0 HE1 PHE A 54 9.542 8.862 -7.115 1.00 0.00 H new ATOM 0 HE2 PHE A 54 5.564 8.681 -8.635 1.00 0.00 H new ATOM 0 HZ PHE A 54 7.995 8.734 -9.026 1.00 0.00 H new ATOM 848 N PHE A 55 4.570 11.323 -4.438 1.00 0.00 N ATOM 849 CA PHE A 55 3.937 12.388 -5.206 1.00 0.00 C ATOM 850 C PHE A 55 3.866 13.677 -4.392 1.00 0.00 C ATOM 851 O PHE A 55 4.125 14.765 -4.908 1.00 0.00 O ATOM 852 CB PHE A 55 2.531 11.968 -5.639 1.00 0.00 C ATOM 853 CG PHE A 55 2.522 10.857 -6.649 1.00 0.00 C ATOM 854 CD1 PHE A 55 2.972 11.074 -7.942 1.00 0.00 C ATOM 855 CD2 PHE A 55 2.063 9.595 -6.307 1.00 0.00 C ATOM 856 CE1 PHE A 55 2.966 10.053 -8.874 1.00 0.00 C ATOM 857 CE2 PHE A 55 2.055 8.570 -7.235 1.00 0.00 C ATOM 858 CZ PHE A 55 2.505 8.800 -8.520 1.00 0.00 C ATOM 0 H PHE A 55 3.950 10.549 -4.200 1.00 0.00 H new ATOM 0 HA PHE A 55 4.543 12.571 -6.093 1.00 0.00 H new ATOM 0 HB2 PHE A 55 1.967 11.654 -4.760 1.00 0.00 H new ATOM 0 HB3 PHE A 55 2.015 12.832 -6.057 1.00 0.00 H new ATOM 0 HD1 PHE A 55 3.332 12.052 -8.225 1.00 0.00 H new ATOM 0 HD2 PHE A 55 1.707 9.410 -5.304 1.00 0.00 H new ATOM 0 HE1 PHE A 55 3.321 10.235 -9.878 1.00 0.00 H new ATOM 0 HE2 PHE A 55 1.697 7.590 -6.955 1.00 0.00 H new ATOM 0 HZ PHE A 55 2.497 8.001 -9.247 1.00 0.00 H new ATOM 868 N ARG A 56 3.514 13.547 -3.118 1.00 0.00 N ATOM 869 CA ARG A 56 3.407 14.700 -2.233 1.00 0.00 C ATOM 870 C ARG A 56 2.227 15.583 -2.630 1.00 0.00 C ATOM 871 O ARG A 56 2.258 16.799 -2.440 1.00 0.00 O ATOM 872 CB ARG A 56 4.701 15.516 -2.264 1.00 0.00 C ATOM 873 CG ARG A 56 4.842 16.480 -1.098 1.00 0.00 C ATOM 874 CD ARG A 56 6.132 17.281 -1.189 1.00 0.00 C ATOM 875 NE ARG A 56 6.537 17.816 0.108 1.00 0.00 N ATOM 876 CZ ARG A 56 7.763 18.254 0.371 1.00 0.00 C ATOM 877 NH1 ARG A 56 8.698 18.222 -0.568 1.00 0.00 N ATOM 878 NH2 ARG A 56 8.055 18.727 1.576 1.00 0.00 N ATOM 0 H ARG A 56 3.298 12.654 -2.675 1.00 0.00 H new ATOM 0 HA ARG A 56 3.240 14.334 -1.220 1.00 0.00 H new ATOM 0 HB2 ARG A 56 5.551 14.833 -2.265 1.00 0.00 H new ATOM 0 HB3 ARG A 56 4.743 16.079 -3.197 1.00 0.00 H new ATOM 0 HG2 ARG A 56 3.991 17.160 -1.082 1.00 0.00 H new ATOM 0 HG3 ARG A 56 4.823 15.924 -0.161 1.00 0.00 H new ATOM 0 HD2 ARG A 56 6.926 16.646 -1.583 1.00 0.00 H new ATOM 0 HD3 ARG A 56 6.000 18.101 -1.894 1.00 0.00 H new ATOM 0 HE ARG A 56 5.841 17.855 0.852 1.00 0.00 H new ATOM 0 HH11 ARG A 56 8.477 17.860 -1.496 1.00 0.00 H new ATOM 0 HH12 ARG A 56 9.639 18.559 -0.363 1.00 0.00 H new ATOM 0 HH21 ARG A 56 7.338 18.754 2.301 1.00 0.00 H new ATOM 0 HH22 ARG A 56 8.997 19.063 1.777 1.00 0.00 H new ATOM 892 N ASP A 57 1.190 14.963 -3.181 1.00 0.00 N ATOM 893 CA ASP A 57 0.000 15.691 -3.605 1.00 0.00 C ATOM 894 C ASP A 57 -1.137 14.729 -3.936 1.00 0.00 C ATOM 895 O ASP A 57 -0.903 13.597 -4.360 1.00 0.00 O ATOM 896 CB ASP A 57 0.316 16.565 -4.820 1.00 0.00 C ATOM 897 CG ASP A 57 -0.602 17.766 -4.924 1.00 0.00 C ATOM 898 OD1 ASP A 57 -1.469 17.930 -4.039 1.00 0.00 O ATOM 899 OD2 ASP A 57 -0.454 18.544 -5.889 1.00 0.00 O ATOM 0 H ASP A 57 1.149 13.957 -3.345 1.00 0.00 H new ATOM 0 HA ASP A 57 -0.317 16.330 -2.781 1.00 0.00 H new ATOM 0 HB2 ASP A 57 1.350 16.906 -4.760 1.00 0.00 H new ATOM 0 HB3 ASP A 57 0.230 15.966 -5.727 1.00 0.00 H new ATOM 904 N THR A 58 -2.369 15.187 -3.738 1.00 0.00 N ATOM 905 CA THR A 58 -3.542 14.367 -4.014 1.00 0.00 C ATOM 906 C THR A 58 -4.229 14.806 -5.302 1.00 0.00 C ATOM 907 O THR A 58 -5.405 15.169 -5.297 1.00 0.00 O ATOM 908 CB THR A 58 -4.557 14.432 -2.856 1.00 0.00 C ATOM 909 OG1 THR A 58 -4.967 15.787 -2.639 1.00 0.00 O ATOM 910 CG2 THR A 58 -3.956 13.868 -1.578 1.00 0.00 C ATOM 0 H THR A 58 -2.580 16.121 -3.388 1.00 0.00 H new ATOM 0 HA THR A 58 -3.192 13.341 -4.124 1.00 0.00 H new ATOM 0 HB THR A 58 -5.424 13.830 -3.128 1.00 0.00 H new ATOM 0 HG1 THR A 58 -5.344 16.151 -3.467 1.00 0.00 H new ATOM 0 HG21 THR A 58 -4.691 13.924 -0.775 1.00 0.00 H new ATOM 0 HG22 THR A 58 -3.672 12.828 -1.738 1.00 0.00 H new ATOM 0 HG23 THR A 58 -3.074 14.447 -1.304 1.00 0.00 H new ATOM 918 N ASP A 59 -3.488 14.769 -6.404 1.00 0.00 N ATOM 919 CA ASP A 59 -4.027 15.161 -7.701 1.00 0.00 C ATOM 920 C ASP A 59 -4.217 13.944 -8.601 1.00 0.00 C ATOM 921 O ASP A 59 -3.949 12.813 -8.197 1.00 0.00 O ATOM 922 CB ASP A 59 -3.100 16.171 -8.378 1.00 0.00 C ATOM 923 CG ASP A 59 -3.817 17.006 -9.421 1.00 0.00 C ATOM 924 OD1 ASP A 59 -5.025 17.270 -9.242 1.00 0.00 O ATOM 925 OD2 ASP A 59 -3.171 17.396 -10.416 1.00 0.00 O ATOM 0 H ASP A 59 -2.513 14.472 -6.425 1.00 0.00 H new ATOM 0 HA ASP A 59 -5.000 15.625 -7.537 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -2.670 16.829 -7.622 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -2.271 15.641 -8.848 1.00 0.00 H new ATOM 930 N ALA A 60 -4.683 14.184 -9.822 1.00 0.00 N ATOM 931 CA ALA A 60 -4.908 13.108 -10.779 1.00 0.00 C ATOM 932 C ALA A 60 -3.808 12.056 -10.691 1.00 0.00 C ATOM 933 O ALA A 60 -4.077 10.881 -10.440 1.00 0.00 O ATOM 934 CB ALA A 60 -4.994 13.667 -12.192 1.00 0.00 C ATOM 0 H ALA A 60 -4.912 15.114 -10.172 1.00 0.00 H new ATOM 0 HA ALA A 60 -5.855 12.628 -10.532 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -5.162 12.852 -12.896 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -5.820 14.376 -12.253 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -4.062 14.174 -12.440 1.00 0.00 H new ATOM 940 N LYS A 61 -2.568 12.484 -10.899 1.00 0.00 N ATOM 941 CA LYS A 61 -1.426 11.579 -10.843 1.00 0.00 C ATOM 942 C LYS A 61 -1.550 10.619 -9.665 1.00 0.00 C ATOM 943 O LYS A 61 -1.676 9.408 -9.849 1.00 0.00 O ATOM 944 CB LYS A 61 -0.123 12.375 -10.730 1.00 0.00 C ATOM 945 CG LYS A 61 0.027 13.450 -11.793 1.00 0.00 C ATOM 946 CD LYS A 61 1.464 13.931 -11.901 1.00 0.00 C ATOM 947 CE LYS A 61 1.729 15.105 -10.970 1.00 0.00 C ATOM 948 NZ LYS A 61 2.076 14.653 -9.594 1.00 0.00 N ATOM 0 H LYS A 61 -2.328 13.453 -11.108 1.00 0.00 H new ATOM 0 HA LYS A 61 -1.411 10.997 -11.764 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -0.075 12.840 -9.745 1.00 0.00 H new ATOM 0 HB3 LYS A 61 0.720 11.688 -10.799 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -0.300 13.058 -12.756 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -0.623 14.292 -11.554 1.00 0.00 H new ATOM 0 HD2 LYS A 61 2.142 13.113 -11.659 1.00 0.00 H new ATOM 0 HD3 LYS A 61 1.674 14.226 -12.929 1.00 0.00 H new ATOM 0 HE2 LYS A 61 2.543 15.709 -11.370 1.00 0.00 H new ATOM 0 HE3 LYS A 61 0.847 15.744 -10.931 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 1.466 15.138 -8.905 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 1.933 13.625 -9.520 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 3.071 14.880 -9.395 1.00 0.00 H new ATOM 962 N TYR A 62 -1.515 11.166 -8.455 1.00 0.00 N ATOM 963 CA TYR A 62 -1.623 10.357 -7.246 1.00 0.00 C ATOM 964 C TYR A 62 -2.555 9.170 -7.467 1.00 0.00 C ATOM 965 O TYR A 62 -2.163 8.016 -7.293 1.00 0.00 O ATOM 966 CB TYR A 62 -2.130 11.209 -6.081 1.00 0.00 C ATOM 967 CG TYR A 62 -2.230 10.451 -4.777 1.00 0.00 C ATOM 968 CD1 TYR A 62 -1.092 9.970 -4.141 1.00 0.00 C ATOM 969 CD2 TYR A 62 -3.463 10.216 -4.180 1.00 0.00 C ATOM 970 CE1 TYR A 62 -1.179 9.277 -2.949 1.00 0.00 C ATOM 971 CE2 TYR A 62 -3.559 9.525 -2.988 1.00 0.00 C ATOM 972 CZ TYR A 62 -2.415 9.057 -2.376 1.00 0.00 C ATOM 973 OH TYR A 62 -2.506 8.367 -1.189 1.00 0.00 O ATOM 0 H TYR A 62 -1.413 12.167 -8.285 1.00 0.00 H new ATOM 0 HA TYR A 62 -0.631 9.976 -7.004 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -1.463 12.060 -5.947 1.00 0.00 H new ATOM 0 HB3 TYR A 62 -3.111 11.610 -6.335 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -0.123 10.141 -4.586 1.00 0.00 H new ATOM 0 HD2 TYR A 62 -4.361 10.580 -4.656 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -0.285 8.909 -2.468 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -4.525 9.352 -2.537 1.00 0.00 H new ATOM 0 HH TYR A 62 -3.446 8.300 -0.921 1.00 0.00 H new ATOM 983 N LYS A 63 -3.793 9.462 -7.852 1.00 0.00 N ATOM 984 CA LYS A 63 -4.784 8.421 -8.099 1.00 0.00 C ATOM 985 C LYS A 63 -4.336 7.502 -9.231 1.00 0.00 C ATOM 986 O LYS A 63 -4.292 6.283 -9.072 1.00 0.00 O ATOM 987 CB LYS A 63 -6.137 9.048 -8.442 1.00 0.00 C ATOM 988 CG LYS A 63 -6.751 9.834 -7.296 1.00 0.00 C ATOM 989 CD LYS A 63 -7.679 10.925 -7.803 1.00 0.00 C ATOM 990 CE LYS A 63 -8.506 11.522 -6.674 1.00 0.00 C ATOM 991 NZ LYS A 63 -9.197 12.772 -7.095 1.00 0.00 N ATOM 0 H LYS A 63 -4.134 10.412 -8.000 1.00 0.00 H new ATOM 0 HA LYS A 63 -4.885 7.827 -7.191 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -6.015 9.709 -9.300 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -6.828 8.260 -8.742 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -7.305 9.157 -6.645 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -5.959 10.279 -6.694 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -7.093 11.710 -8.281 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -8.343 10.515 -8.564 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -9.245 10.793 -6.340 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -7.859 11.733 -5.822 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -9.750 13.148 -6.298 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -8.491 13.477 -7.390 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -9.833 12.566 -7.891 1.00 0.00 H new ATOM 1005 N ASN A 64 -4.003 8.095 -10.373 1.00 0.00 N ATOM 1006 CA ASN A 64 -3.558 7.329 -11.531 1.00 0.00 C ATOM 1007 C ASN A 64 -2.715 6.132 -11.100 1.00 0.00 C ATOM 1008 O ASN A 64 -2.895 5.021 -11.598 1.00 0.00 O ATOM 1009 CB ASN A 64 -2.752 8.220 -12.478 1.00 0.00 C ATOM 1010 CG ASN A 64 -2.820 7.744 -13.917 1.00 0.00 C ATOM 1011 OD1 ASN A 64 -2.497 6.595 -14.219 1.00 0.00 O ATOM 1012 ND2 ASN A 64 -3.242 8.629 -14.813 1.00 0.00 N ATOM 0 H ASN A 64 -4.033 9.104 -10.521 1.00 0.00 H new ATOM 0 HA ASN A 64 -4.441 6.960 -12.053 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -3.126 9.242 -12.418 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -1.711 8.242 -12.154 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -3.309 8.367 -15.796 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -3.499 9.571 -14.518 1.00 0.00 H new ATOM 1019 N LYS A 65 -1.796 6.367 -10.170 1.00 0.00 N ATOM 1020 CA LYS A 65 -0.926 5.310 -9.669 1.00 0.00 C ATOM 1021 C LYS A 65 -1.713 4.311 -8.827 1.00 0.00 C ATOM 1022 O LYS A 65 -1.768 3.123 -9.145 1.00 0.00 O ATOM 1023 CB LYS A 65 0.212 5.908 -8.839 1.00 0.00 C ATOM 1024 CG LYS A 65 1.139 4.865 -8.238 1.00 0.00 C ATOM 1025 CD LYS A 65 1.834 4.049 -9.316 1.00 0.00 C ATOM 1026 CE LYS A 65 2.841 4.888 -10.088 1.00 0.00 C ATOM 1027 NZ LYS A 65 2.219 5.559 -11.263 1.00 0.00 N ATOM 0 H LYS A 65 -1.634 7.281 -9.748 1.00 0.00 H new ATOM 0 HA LYS A 65 -0.505 4.784 -10.526 1.00 0.00 H new ATOM 0 HB2 LYS A 65 0.795 6.581 -9.468 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -0.213 6.510 -8.036 1.00 0.00 H new ATOM 0 HG2 LYS A 65 1.886 5.357 -7.614 1.00 0.00 H new ATOM 0 HG3 LYS A 65 0.569 4.201 -7.589 1.00 0.00 H new ATOM 0 HD2 LYS A 65 2.341 3.199 -8.860 1.00 0.00 H new ATOM 0 HD3 LYS A 65 1.091 3.646 -10.004 1.00 0.00 H new ATOM 0 HE2 LYS A 65 3.271 5.640 -9.426 1.00 0.00 H new ATOM 0 HE3 LYS A 65 3.661 4.253 -10.424 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 2.839 5.453 -12.091 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 1.296 5.123 -11.463 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 2.087 6.570 -11.056 1.00 0.00 H new ATOM 1041 N TYR A 66 -2.322 4.800 -7.752 1.00 0.00 N ATOM 1042 CA TYR A 66 -3.106 3.950 -6.864 1.00 0.00 C ATOM 1043 C TYR A 66 -3.970 2.978 -7.662 1.00 0.00 C ATOM 1044 O TYR A 66 -3.898 1.764 -7.470 1.00 0.00 O ATOM 1045 CB TYR A 66 -3.988 4.805 -5.953 1.00 0.00 C ATOM 1046 CG TYR A 66 -5.255 4.109 -5.511 1.00 0.00 C ATOM 1047 CD1 TYR A 66 -5.206 3.000 -4.674 1.00 0.00 C ATOM 1048 CD2 TYR A 66 -6.501 4.558 -5.929 1.00 0.00 C ATOM 1049 CE1 TYR A 66 -6.361 2.360 -4.268 1.00 0.00 C ATOM 1050 CE2 TYR A 66 -7.662 3.926 -5.527 1.00 0.00 C ATOM 1051 CZ TYR A 66 -7.586 2.827 -4.697 1.00 0.00 C ATOM 1052 OH TYR A 66 -8.740 2.193 -4.295 1.00 0.00 O ATOM 0 H TYR A 66 -2.288 5.781 -7.475 1.00 0.00 H new ATOM 0 HA TYR A 66 -2.414 3.373 -6.251 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -3.415 5.092 -5.072 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -4.252 5.725 -6.475 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -4.249 2.633 -4.335 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -6.564 5.417 -6.580 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -6.305 1.499 -3.618 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -8.623 4.290 -5.860 1.00 0.00 H new ATOM 0 HH TYR A 66 -9.516 2.648 -4.685 1.00 0.00 H new ATOM 1062 N ARG A 67 -4.786 3.522 -8.559 1.00 0.00 N ATOM 1063 CA ARG A 67 -5.665 2.705 -9.386 1.00 0.00 C ATOM 1064 C ARG A 67 -4.866 1.664 -10.165 1.00 0.00 C ATOM 1065 O ARG A 67 -5.332 0.545 -10.383 1.00 0.00 O ATOM 1066 CB ARG A 67 -6.454 3.587 -10.356 1.00 0.00 C ATOM 1067 CG ARG A 67 -5.602 4.194 -11.458 1.00 0.00 C ATOM 1068 CD ARG A 67 -6.457 4.695 -12.612 1.00 0.00 C ATOM 1069 NE ARG A 67 -6.884 3.608 -13.489 1.00 0.00 N ATOM 1070 CZ ARG A 67 -7.496 3.800 -14.652 1.00 0.00 C ATOM 1071 NH1 ARG A 67 -7.751 5.030 -15.076 1.00 0.00 N ATOM 1072 NH2 ARG A 67 -7.854 2.760 -15.394 1.00 0.00 N ATOM 0 H ARG A 67 -4.856 4.525 -8.731 1.00 0.00 H new ATOM 0 HA ARG A 67 -6.362 2.186 -8.728 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -7.249 2.994 -10.808 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -6.934 4.389 -9.796 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -5.016 5.019 -11.053 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -4.895 3.450 -11.824 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -7.334 5.208 -12.217 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -5.893 5.427 -13.190 1.00 0.00 H new ATOM 0 HE ARG A 67 -6.702 2.649 -13.192 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -7.477 5.832 -14.509 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -8.221 5.174 -15.970 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -7.659 1.812 -15.071 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -8.324 2.908 -16.287 1.00 0.00 H new ATOM 1086 N SER A 68 -3.661 2.040 -10.581 1.00 0.00 N ATOM 1087 CA SER A 68 -2.799 1.141 -11.339 1.00 0.00 C ATOM 1088 C SER A 68 -2.306 -0.006 -10.462 1.00 0.00 C ATOM 1089 O SER A 68 -2.370 -1.173 -10.852 1.00 0.00 O ATOM 1090 CB SER A 68 -1.607 1.908 -11.914 1.00 0.00 C ATOM 1091 OG SER A 68 -1.121 1.287 -13.091 1.00 0.00 O ATOM 0 H SER A 68 -3.260 2.961 -10.406 1.00 0.00 H new ATOM 0 HA SER A 68 -3.382 0.723 -12.159 1.00 0.00 H new ATOM 0 HB2 SER A 68 -1.903 2.933 -12.136 1.00 0.00 H new ATOM 0 HB3 SER A 68 -0.811 1.960 -11.171 1.00 0.00 H new ATOM 0 HG SER A 68 -0.361 1.797 -13.440 1.00 0.00 H new ATOM 1097 N LEU A 69 -1.814 0.334 -9.276 1.00 0.00 N ATOM 1098 CA LEU A 69 -1.310 -0.667 -8.342 1.00 0.00 C ATOM 1099 C LEU A 69 -2.317 -1.796 -8.157 1.00 0.00 C ATOM 1100 O LEU A 69 -1.989 -2.969 -8.333 1.00 0.00 O ATOM 1101 CB LEU A 69 -0.997 -0.020 -6.991 1.00 0.00 C ATOM 1102 CG LEU A 69 0.126 1.017 -6.987 1.00 0.00 C ATOM 1103 CD1 LEU A 69 0.364 1.541 -5.579 1.00 0.00 C ATOM 1104 CD2 LEU A 69 1.404 0.422 -7.560 1.00 0.00 C ATOM 0 H LEU A 69 -1.753 1.295 -8.938 1.00 0.00 H new ATOM 0 HA LEU A 69 -0.394 -1.088 -8.758 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -1.905 0.456 -6.620 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -0.738 -0.809 -6.284 1.00 0.00 H new ATOM 0 HG LEU A 69 -0.176 1.853 -7.617 1.00 0.00 H new ATOM 0 HD11 LEU A 69 1.167 2.278 -5.596 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -0.548 2.006 -5.205 1.00 0.00 H new ATOM 0 HD13 LEU A 69 0.644 0.715 -4.926 1.00 0.00 H new ATOM 0 HD21 LEU A 69 2.192 1.175 -7.549 1.00 0.00 H new ATOM 0 HD22 LEU A 69 1.710 -0.433 -6.957 1.00 0.00 H new ATOM 0 HD23 LEU A 69 1.226 0.097 -8.585 1.00 0.00 H new ATOM 1116 N MET A 70 -3.546 -1.434 -7.803 1.00 0.00 N ATOM 1117 CA MET A 70 -4.603 -2.418 -7.598 1.00 0.00 C ATOM 1118 C MET A 70 -5.050 -3.021 -8.926 1.00 0.00 C ATOM 1119 O MET A 70 -5.470 -4.177 -8.984 1.00 0.00 O ATOM 1120 CB MET A 70 -5.797 -1.775 -6.889 1.00 0.00 C ATOM 1121 CG MET A 70 -6.379 -0.587 -7.637 1.00 0.00 C ATOM 1122 SD MET A 70 -7.541 0.362 -6.636 1.00 0.00 S ATOM 1123 CE MET A 70 -8.156 -0.909 -5.534 1.00 0.00 C ATOM 0 H MET A 70 -3.834 -0.467 -7.652 1.00 0.00 H new ATOM 0 HA MET A 70 -4.205 -3.217 -6.972 1.00 0.00 H new ATOM 0 HB2 MET A 70 -6.576 -2.525 -6.753 1.00 0.00 H new ATOM 0 HB3 MET A 70 -5.488 -1.452 -5.895 1.00 0.00 H new ATOM 0 HG2 MET A 70 -5.568 0.065 -7.962 1.00 0.00 H new ATOM 0 HG3 MET A 70 -6.884 -0.940 -8.536 1.00 0.00 H new ATOM 0 HE1 MET A 70 -8.861 -0.469 -4.828 1.00 0.00 H new ATOM 0 HE2 MET A 70 -8.659 -1.682 -6.115 1.00 0.00 H new ATOM 0 HE3 MET A 70 -7.323 -1.351 -4.987 1.00 0.00 H new ATOM 1133 N PHE A 71 -4.956 -2.232 -9.991 1.00 0.00 N ATOM 1134 CA PHE A 71 -5.351 -2.688 -11.318 1.00 0.00 C ATOM 1135 C PHE A 71 -4.940 -4.140 -11.539 1.00 0.00 C ATOM 1136 O PHE A 71 -5.756 -4.975 -11.930 1.00 0.00 O ATOM 1137 CB PHE A 71 -4.724 -1.799 -12.394 1.00 0.00 C ATOM 1138 CG PHE A 71 -5.403 -1.905 -13.730 1.00 0.00 C ATOM 1139 CD1 PHE A 71 -6.762 -1.666 -13.852 1.00 0.00 C ATOM 1140 CD2 PHE A 71 -4.681 -2.244 -14.863 1.00 0.00 C ATOM 1141 CE1 PHE A 71 -7.389 -1.762 -15.080 1.00 0.00 C ATOM 1142 CE2 PHE A 71 -5.303 -2.342 -16.093 1.00 0.00 C ATOM 1143 CZ PHE A 71 -6.659 -2.102 -16.202 1.00 0.00 C ATOM 0 H PHE A 71 -4.609 -1.273 -9.961 1.00 0.00 H new ATOM 0 HA PHE A 71 -6.437 -2.621 -11.389 1.00 0.00 H new ATOM 0 HB2 PHE A 71 -4.756 -0.762 -12.061 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -3.673 -2.066 -12.507 1.00 0.00 H new ATOM 0 HD1 PHE A 71 -7.338 -1.402 -12.978 1.00 0.00 H new ATOM 0 HD2 PHE A 71 -3.621 -2.434 -14.784 1.00 0.00 H new ATOM 0 HE1 PHE A 71 -8.449 -1.571 -15.162 1.00 0.00 H new ATOM 0 HE2 PHE A 71 -4.729 -2.606 -16.969 1.00 0.00 H new ATOM 0 HZ PHE A 71 -7.147 -2.180 -17.162 1.00 0.00 H new ATOM 1153 N ASN A 72 -3.669 -4.435 -11.285 1.00 0.00 N ATOM 1154 CA ASN A 72 -3.149 -5.786 -11.457 1.00 0.00 C ATOM 1155 C ASN A 72 -3.682 -6.717 -10.372 1.00 0.00 C ATOM 1156 O ASN A 72 -4.098 -7.842 -10.653 1.00 0.00 O ATOM 1157 CB ASN A 72 -1.619 -5.773 -11.426 1.00 0.00 C ATOM 1158 CG ASN A 72 -1.019 -5.286 -12.731 1.00 0.00 C ATOM 1159 OD1 ASN A 72 -0.449 -6.066 -13.495 1.00 0.00 O ATOM 1160 ND2 ASN A 72 -1.144 -3.990 -12.993 1.00 0.00 N ATOM 0 H ASN A 72 -2.981 -3.756 -10.959 1.00 0.00 H new ATOM 0 HA ASN A 72 -3.484 -6.157 -12.426 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -1.280 -5.132 -10.612 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -1.254 -6.778 -11.214 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -0.760 -3.605 -13.856 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -1.624 -3.380 -12.331 1.00 0.00 H new ATOM 1167 N LEU A 73 -3.668 -6.240 -9.132 1.00 0.00 N ATOM 1168 CA LEU A 73 -4.151 -7.029 -8.004 1.00 0.00 C ATOM 1169 C LEU A 73 -5.531 -7.609 -8.296 1.00 0.00 C ATOM 1170 O LEU A 73 -5.783 -8.790 -8.057 1.00 0.00 O ATOM 1171 CB LEU A 73 -4.204 -6.168 -6.740 1.00 0.00 C ATOM 1172 CG LEU A 73 -2.854 -5.765 -6.145 1.00 0.00 C ATOM 1173 CD1 LEU A 73 -3.034 -4.666 -5.109 1.00 0.00 C ATOM 1174 CD2 LEU A 73 -2.160 -6.972 -5.531 1.00 0.00 C ATOM 0 H LEU A 73 -3.328 -5.311 -8.882 1.00 0.00 H new ATOM 0 HA LEU A 73 -3.457 -7.854 -7.846 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -4.764 -5.261 -6.966 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -4.767 -6.709 -5.979 1.00 0.00 H new ATOM 0 HG LEU A 73 -2.225 -5.379 -6.948 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -2.063 -4.392 -4.697 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -3.488 -3.793 -5.579 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -3.681 -5.024 -4.308 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -1.201 -6.666 -5.113 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -2.785 -7.388 -4.741 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -1.996 -7.728 -6.299 1.00 0.00 H new ATOM 1186 N LYS A 74 -6.421 -6.771 -8.816 1.00 0.00 N ATOM 1187 CA LYS A 74 -7.775 -7.200 -9.145 1.00 0.00 C ATOM 1188 C LYS A 74 -7.786 -8.033 -10.423 1.00 0.00 C ATOM 1189 O LYS A 74 -8.526 -9.011 -10.531 1.00 0.00 O ATOM 1190 CB LYS A 74 -8.692 -5.986 -9.307 1.00 0.00 C ATOM 1191 CG LYS A 74 -8.247 -5.029 -10.400 1.00 0.00 C ATOM 1192 CD LYS A 74 -9.096 -3.769 -10.418 1.00 0.00 C ATOM 1193 CE LYS A 74 -10.469 -4.031 -11.017 1.00 0.00 C ATOM 1194 NZ LYS A 74 -10.447 -3.971 -12.505 1.00 0.00 N ATOM 0 H LYS A 74 -6.229 -5.790 -9.019 1.00 0.00 H new ATOM 0 HA LYS A 74 -8.143 -7.818 -8.326 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -9.702 -6.331 -9.527 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -8.738 -5.447 -8.361 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -7.201 -4.762 -10.247 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -8.311 -5.526 -11.368 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -9.207 -3.389 -9.402 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -8.588 -2.995 -10.994 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -10.823 -5.012 -10.699 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -11.178 -3.297 -10.635 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -11.402 -4.155 -12.874 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -10.134 -3.027 -12.810 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -9.790 -4.689 -12.872 1.00 0.00 H new ATOM 1208 N ASP A 75 -6.962 -7.640 -11.387 1.00 0.00 N ATOM 1209 CA ASP A 75 -6.875 -8.352 -12.657 1.00 0.00 C ATOM 1210 C ASP A 75 -7.063 -9.852 -12.452 1.00 0.00 C ATOM 1211 O ASP A 75 -6.269 -10.517 -11.787 1.00 0.00 O ATOM 1212 CB ASP A 75 -5.527 -8.081 -13.327 1.00 0.00 C ATOM 1213 CG ASP A 75 -5.609 -8.149 -14.839 1.00 0.00 C ATOM 1214 OD1 ASP A 75 -6.624 -8.661 -15.357 1.00 0.00 O ATOM 1215 OD2 ASP A 75 -4.659 -7.688 -15.506 1.00 0.00 O ATOM 0 H ASP A 75 -6.344 -6.832 -11.314 1.00 0.00 H new ATOM 0 HA ASP A 75 -7.673 -7.989 -13.305 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -5.168 -7.096 -13.029 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -4.796 -8.807 -12.973 1.00 0.00 H new ATOM 1220 N PRO A 76 -8.140 -10.399 -13.036 1.00 0.00 N ATOM 1221 CA PRO A 76 -8.458 -11.826 -12.931 1.00 0.00 C ATOM 1222 C PRO A 76 -7.475 -12.697 -13.705 1.00 0.00 C ATOM 1223 O PRO A 76 -7.495 -13.923 -13.595 1.00 0.00 O ATOM 1224 CB PRO A 76 -9.857 -11.924 -13.545 1.00 0.00 C ATOM 1225 CG PRO A 76 -9.945 -10.761 -14.473 1.00 0.00 C ATOM 1226 CD PRO A 76 -9.130 -9.666 -13.843 1.00 0.00 C ATOM 0 HA PRO A 76 -8.403 -12.181 -11.902 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -9.991 -12.866 -14.077 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -10.630 -11.878 -12.778 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -9.557 -11.018 -15.459 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -10.980 -10.448 -14.609 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -8.651 -9.039 -14.595 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -9.745 -9.011 -13.226 1.00 0.00 H new ATOM 1234 N LYS A 77 -6.614 -12.057 -14.490 1.00 0.00 N ATOM 1235 CA LYS A 77 -5.621 -12.772 -15.282 1.00 0.00 C ATOM 1236 C LYS A 77 -4.284 -12.835 -14.550 1.00 0.00 C ATOM 1237 O LYS A 77 -3.512 -13.777 -14.728 1.00 0.00 O ATOM 1238 CB LYS A 77 -5.438 -12.095 -16.642 1.00 0.00 C ATOM 1239 CG LYS A 77 -4.756 -10.741 -16.560 1.00 0.00 C ATOM 1240 CD LYS A 77 -3.246 -10.869 -16.675 1.00 0.00 C ATOM 1241 CE LYS A 77 -2.807 -11.009 -18.124 1.00 0.00 C ATOM 1242 NZ LYS A 77 -1.324 -10.991 -18.259 1.00 0.00 N ATOM 0 H LYS A 77 -6.585 -11.043 -14.594 1.00 0.00 H new ATOM 0 HA LYS A 77 -5.980 -13.790 -15.435 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -4.852 -12.749 -17.288 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -6.414 -11.973 -17.112 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -5.129 -10.096 -17.356 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -5.010 -10.261 -15.615 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -2.771 -9.993 -16.233 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -2.909 -11.736 -16.106 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -3.198 -11.941 -18.533 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -3.235 -10.198 -18.713 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -1.065 -11.089 -19.262 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -0.953 -10.091 -17.892 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -0.917 -11.780 -17.718 1.00 0.00 H new ATOM 1256 N ASN A 78 -4.018 -11.828 -13.725 1.00 0.00 N ATOM 1257 CA ASN A 78 -2.775 -11.770 -12.965 1.00 0.00 C ATOM 1258 C ASN A 78 -3.013 -12.134 -11.502 1.00 0.00 C ATOM 1259 O ASN A 78 -3.602 -11.360 -10.748 1.00 0.00 O ATOM 1260 CB ASN A 78 -2.159 -10.373 -13.061 1.00 0.00 C ATOM 1261 CG ASN A 78 -0.820 -10.282 -12.355 1.00 0.00 C ATOM 1262 OD1 ASN A 78 -0.277 -11.287 -11.896 1.00 0.00 O ATOM 1263 ND2 ASN A 78 -0.280 -9.072 -12.265 1.00 0.00 N ATOM 0 H ASN A 78 -4.647 -11.041 -13.566 1.00 0.00 H new ATOM 0 HA ASN A 78 -2.083 -12.495 -13.393 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -2.032 -10.106 -14.110 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -2.845 -9.646 -12.628 1.00 0.00 H new ATOM 0 HD21 ASN A 78 0.620 -8.948 -11.801 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -0.765 -8.266 -12.660 1.00 0.00 H new ATOM 1270 N ASN A 79 -2.551 -13.316 -11.109 1.00 0.00 N ATOM 1271 CA ASN A 79 -2.714 -13.783 -9.737 1.00 0.00 C ATOM 1272 C ASN A 79 -1.361 -14.091 -9.103 1.00 0.00 C ATOM 1273 O ASN A 79 -1.167 -15.157 -8.518 1.00 0.00 O ATOM 1274 CB ASN A 79 -3.602 -15.028 -9.702 1.00 0.00 C ATOM 1275 CG ASN A 79 -3.036 -16.165 -10.532 1.00 0.00 C ATOM 1276 OD1 ASN A 79 -2.120 -15.969 -11.330 1.00 0.00 O ATOM 1277 ND2 ASN A 79 -3.582 -17.361 -10.345 1.00 0.00 N ATOM 0 H ASN A 79 -2.061 -13.968 -11.721 1.00 0.00 H new ATOM 0 HA ASN A 79 -3.191 -12.989 -9.163 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -3.719 -15.358 -8.670 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -4.596 -14.773 -10.070 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -3.243 -18.165 -10.874 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -4.340 -17.476 -9.672 1.00 0.00 H new ATOM 1284 N ILE A 80 -0.429 -13.151 -9.224 1.00 0.00 N ATOM 1285 CA ILE A 80 0.905 -13.321 -8.661 1.00 0.00 C ATOM 1286 C ILE A 80 1.281 -12.141 -7.772 1.00 0.00 C ATOM 1287 O ILE A 80 1.806 -12.321 -6.672 1.00 0.00 O ATOM 1288 CB ILE A 80 1.966 -13.476 -9.766 1.00 0.00 C ATOM 1289 CG1 ILE A 80 1.665 -14.706 -10.625 1.00 0.00 C ATOM 1290 CG2 ILE A 80 3.356 -13.577 -9.155 1.00 0.00 C ATOM 1291 CD1 ILE A 80 2.760 -15.034 -11.616 1.00 0.00 C ATOM 0 H ILE A 80 -0.573 -12.264 -9.707 1.00 0.00 H new ATOM 0 HA ILE A 80 0.881 -14.231 -8.061 1.00 0.00 H new ATOM 0 HB ILE A 80 1.934 -12.594 -10.405 1.00 0.00 H new ATOM 0 HG12 ILE A 80 1.507 -15.565 -9.973 1.00 0.00 H new ATOM 0 HG13 ILE A 80 0.733 -14.542 -11.166 1.00 0.00 H new ATOM 0 HG21 ILE A 80 4.095 -13.686 -9.949 1.00 0.00 H new ATOM 0 HG22 ILE A 80 3.568 -12.674 -8.583 1.00 0.00 H new ATOM 0 HG23 ILE A 80 3.401 -14.443 -8.495 1.00 0.00 H new ATOM 0 HD11 ILE A 80 2.479 -15.917 -12.190 1.00 0.00 H new ATOM 0 HD12 ILE A 80 2.903 -14.191 -12.293 1.00 0.00 H new ATOM 0 HD13 ILE A 80 3.689 -15.230 -11.080 1.00 0.00 H new ATOM 1303 N LEU A 81 1.008 -10.934 -8.253 1.00 0.00 N ATOM 1304 CA LEU A 81 1.315 -9.723 -7.501 1.00 0.00 C ATOM 1305 C LEU A 81 0.790 -9.821 -6.072 1.00 0.00 C ATOM 1306 O LEU A 81 1.565 -9.913 -5.120 1.00 0.00 O ATOM 1307 CB LEU A 81 0.712 -8.500 -8.195 1.00 0.00 C ATOM 1308 CG LEU A 81 1.454 -7.179 -7.991 1.00 0.00 C ATOM 1309 CD1 LEU A 81 2.870 -7.272 -8.536 1.00 0.00 C ATOM 1310 CD2 LEU A 81 0.699 -6.036 -8.654 1.00 0.00 C ATOM 0 H LEU A 81 0.574 -10.768 -9.161 1.00 0.00 H new ATOM 0 HA LEU A 81 2.399 -9.614 -7.464 1.00 0.00 H new ATOM 0 HB2 LEU A 81 0.660 -8.703 -9.265 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -0.312 -8.376 -7.844 1.00 0.00 H new ATOM 0 HG LEU A 81 1.512 -6.978 -6.921 1.00 0.00 H new ATOM 0 HD11 LEU A 81 3.382 -6.322 -8.382 1.00 0.00 H new ATOM 0 HD12 LEU A 81 3.409 -8.064 -8.016 1.00 0.00 H new ATOM 0 HD13 LEU A 81 2.836 -7.497 -9.602 1.00 0.00 H new ATOM 0 HD21 LEU A 81 1.241 -5.103 -8.499 1.00 0.00 H new ATOM 0 HD22 LEU A 81 0.610 -6.230 -9.723 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -0.296 -5.954 -8.216 1.00 0.00 H new ATOM 1322 N PHE A 82 -0.531 -9.802 -5.930 1.00 0.00 N ATOM 1323 CA PHE A 82 -1.160 -9.890 -4.618 1.00 0.00 C ATOM 1324 C PHE A 82 -0.418 -10.879 -3.724 1.00 0.00 C ATOM 1325 O PHE A 82 -0.249 -10.647 -2.527 1.00 0.00 O ATOM 1326 CB PHE A 82 -2.624 -10.312 -4.758 1.00 0.00 C ATOM 1327 CG PHE A 82 -2.816 -11.800 -4.825 1.00 0.00 C ATOM 1328 CD1 PHE A 82 -2.922 -12.552 -3.666 1.00 0.00 C ATOM 1329 CD2 PHE A 82 -2.889 -12.448 -6.048 1.00 0.00 C ATOM 1330 CE1 PHE A 82 -3.098 -13.921 -3.725 1.00 0.00 C ATOM 1331 CE2 PHE A 82 -3.066 -13.817 -6.113 1.00 0.00 C ATOM 1332 CZ PHE A 82 -3.169 -14.555 -4.950 1.00 0.00 C ATOM 0 H PHE A 82 -1.187 -9.726 -6.708 1.00 0.00 H new ATOM 0 HA PHE A 82 -1.115 -8.904 -4.155 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -3.189 -9.919 -3.913 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -3.040 -9.859 -5.658 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -2.866 -12.062 -2.705 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -2.807 -11.876 -6.961 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -3.180 -14.495 -2.814 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -3.124 -14.309 -7.072 1.00 0.00 H new ATOM 0 HZ PHE A 82 -3.305 -15.625 -4.998 1.00 0.00 H new ATOM 1342 N LYS A 83 0.024 -11.985 -4.314 1.00 0.00 N ATOM 1343 CA LYS A 83 0.749 -13.011 -3.574 1.00 0.00 C ATOM 1344 C LYS A 83 2.132 -12.513 -3.167 1.00 0.00 C ATOM 1345 O LYS A 83 2.510 -12.584 -1.997 1.00 0.00 O ATOM 1346 CB LYS A 83 0.880 -14.281 -4.417 1.00 0.00 C ATOM 1347 CG LYS A 83 1.066 -15.542 -3.592 1.00 0.00 C ATOM 1348 CD LYS A 83 0.717 -16.787 -4.391 1.00 0.00 C ATOM 1349 CE LYS A 83 -0.764 -17.117 -4.291 1.00 0.00 C ATOM 1350 NZ LYS A 83 -1.068 -18.472 -4.829 1.00 0.00 N ATOM 0 H LYS A 83 -0.108 -12.194 -5.304 1.00 0.00 H new ATOM 0 HA LYS A 83 0.184 -13.239 -2.670 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -0.011 -14.390 -5.036 1.00 0.00 H new ATOM 0 HB3 LYS A 83 1.727 -14.172 -5.094 1.00 0.00 H new ATOM 0 HG2 LYS A 83 2.099 -15.605 -3.250 1.00 0.00 H new ATOM 0 HG3 LYS A 83 0.439 -15.492 -2.702 1.00 0.00 H new ATOM 0 HD2 LYS A 83 0.988 -16.637 -5.436 1.00 0.00 H new ATOM 0 HD3 LYS A 83 1.304 -17.630 -4.027 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -1.079 -17.061 -3.249 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -1.340 -16.371 -4.839 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -2.087 -18.659 -4.743 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -0.791 -18.518 -5.830 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -0.538 -19.186 -4.290 1.00 0.00 H new ATOM 1364 N LYS A 84 2.883 -12.007 -4.139 1.00 0.00 N ATOM 1365 CA LYS A 84 4.224 -11.494 -3.883 1.00 0.00 C ATOM 1366 C LYS A 84 4.194 -10.402 -2.818 1.00 0.00 C ATOM 1367 O LYS A 84 5.087 -10.319 -1.975 1.00 0.00 O ATOM 1368 CB LYS A 84 4.838 -10.947 -5.173 1.00 0.00 C ATOM 1369 CG LYS A 84 5.023 -11.999 -6.253 1.00 0.00 C ATOM 1370 CD LYS A 84 5.628 -11.404 -7.513 1.00 0.00 C ATOM 1371 CE LYS A 84 4.640 -10.497 -8.231 1.00 0.00 C ATOM 1372 NZ LYS A 84 5.191 -9.984 -9.516 1.00 0.00 N ATOM 0 H LYS A 84 2.586 -11.941 -5.112 1.00 0.00 H new ATOM 0 HA LYS A 84 4.838 -12.317 -3.517 1.00 0.00 H new ATOM 0 HB2 LYS A 84 4.202 -10.150 -5.559 1.00 0.00 H new ATOM 0 HB3 LYS A 84 5.805 -10.500 -4.944 1.00 0.00 H new ATOM 0 HG2 LYS A 84 5.667 -12.795 -5.880 1.00 0.00 H new ATOM 0 HG3 LYS A 84 4.060 -12.452 -6.489 1.00 0.00 H new ATOM 0 HD2 LYS A 84 6.523 -10.837 -7.256 1.00 0.00 H new ATOM 0 HD3 LYS A 84 5.940 -12.206 -8.182 1.00 0.00 H new ATOM 0 HE2 LYS A 84 3.718 -11.045 -8.424 1.00 0.00 H new ATOM 0 HE3 LYS A 84 4.382 -9.657 -7.585 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 4.488 -9.370 -9.975 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 6.057 -9.439 -9.330 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 5.413 -10.784 -10.142 1.00 0.00 H new ATOM 1386 N VAL A 85 3.161 -9.567 -2.862 1.00 0.00 N ATOM 1387 CA VAL A 85 3.013 -8.481 -1.900 1.00 0.00 C ATOM 1388 C VAL A 85 2.689 -9.019 -0.511 1.00 0.00 C ATOM 1389 O VAL A 85 3.422 -8.774 0.449 1.00 0.00 O ATOM 1390 CB VAL A 85 1.909 -7.497 -2.329 1.00 0.00 C ATOM 1391 CG1 VAL A 85 1.678 -6.450 -1.250 1.00 0.00 C ATOM 1392 CG2 VAL A 85 2.266 -6.840 -3.653 1.00 0.00 C ATOM 0 H VAL A 85 2.414 -9.622 -3.554 1.00 0.00 H new ATOM 0 HA VAL A 85 3.966 -7.953 -1.869 1.00 0.00 H new ATOM 0 HB VAL A 85 0.982 -8.055 -2.465 1.00 0.00 H new ATOM 0 HG11 VAL A 85 0.895 -5.764 -1.571 1.00 0.00 H new ATOM 0 HG12 VAL A 85 1.374 -6.941 -0.326 1.00 0.00 H new ATOM 0 HG13 VAL A 85 2.600 -5.894 -1.079 1.00 0.00 H new ATOM 0 HG21 VAL A 85 1.475 -6.148 -3.941 1.00 0.00 H new ATOM 0 HG22 VAL A 85 3.204 -6.295 -3.548 1.00 0.00 H new ATOM 0 HG23 VAL A 85 2.376 -7.606 -4.421 1.00 0.00 H new ATOM 1402 N LEU A 86 1.586 -9.753 -0.409 1.00 0.00 N ATOM 1403 CA LEU A 86 1.164 -10.327 0.863 1.00 0.00 C ATOM 1404 C LEU A 86 2.278 -11.166 1.479 1.00 0.00 C ATOM 1405 O LEU A 86 2.661 -10.962 2.631 1.00 0.00 O ATOM 1406 CB LEU A 86 -0.088 -11.185 0.668 1.00 0.00 C ATOM 1407 CG LEU A 86 -1.427 -10.460 0.808 1.00 0.00 C ATOM 1408 CD1 LEU A 86 -1.651 -9.520 -0.367 1.00 0.00 C ATOM 1409 CD2 LEU A 86 -2.567 -11.462 0.917 1.00 0.00 C ATOM 0 H LEU A 86 0.968 -9.964 -1.192 1.00 0.00 H new ATOM 0 HA LEU A 86 0.933 -9.508 1.544 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -0.044 -11.636 -0.323 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -0.062 -12.000 1.391 1.00 0.00 H new ATOM 0 HG LEU A 86 -1.403 -9.866 1.722 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -2.609 -9.013 -0.250 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -0.851 -8.781 -0.399 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -1.654 -10.092 -1.295 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -3.512 -10.928 1.016 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -2.593 -12.083 0.021 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -2.414 -12.094 1.792 1.00 0.00 H new ATOM 1421 N LYS A 87 2.798 -12.111 0.703 1.00 0.00 N ATOM 1422 CA LYS A 87 3.872 -12.980 1.169 1.00 0.00 C ATOM 1423 C LYS A 87 5.070 -12.161 1.638 1.00 0.00 C ATOM 1424 O LYS A 87 5.633 -12.419 2.701 1.00 0.00 O ATOM 1425 CB LYS A 87 4.300 -13.939 0.056 1.00 0.00 C ATOM 1426 CG LYS A 87 4.821 -15.271 0.567 1.00 0.00 C ATOM 1427 CD LYS A 87 3.692 -16.161 1.057 1.00 0.00 C ATOM 1428 CE LYS A 87 4.217 -17.484 1.592 1.00 0.00 C ATOM 1429 NZ LYS A 87 3.173 -18.546 1.567 1.00 0.00 N ATOM 0 H LYS A 87 2.492 -12.295 -0.253 1.00 0.00 H new ATOM 0 HA LYS A 87 3.497 -13.558 2.013 1.00 0.00 H new ATOM 0 HB2 LYS A 87 3.451 -14.119 -0.603 1.00 0.00 H new ATOM 0 HB3 LYS A 87 5.074 -13.462 -0.545 1.00 0.00 H new ATOM 0 HG2 LYS A 87 5.366 -15.779 -0.229 1.00 0.00 H new ATOM 0 HG3 LYS A 87 5.528 -15.099 1.379 1.00 0.00 H new ATOM 0 HD2 LYS A 87 3.135 -15.646 1.840 1.00 0.00 H new ATOM 0 HD3 LYS A 87 2.995 -16.349 0.241 1.00 0.00 H new ATOM 0 HE2 LYS A 87 5.073 -17.802 0.997 1.00 0.00 H new ATOM 0 HE3 LYS A 87 4.572 -17.348 2.614 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 3.570 -19.432 1.939 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 2.367 -18.254 2.155 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 2.852 -18.695 0.589 1.00 0.00 H new ATOM 1443 N GLY A 88 5.455 -11.172 0.837 1.00 0.00 N ATOM 1444 CA GLY A 88 6.583 -10.329 1.188 1.00 0.00 C ATOM 1445 C GLY A 88 7.510 -10.084 0.014 1.00 0.00 C ATOM 1446 O GLY A 88 8.207 -9.070 -0.033 1.00 0.00 O ATOM 0 H GLY A 88 5.006 -10.940 -0.049 1.00 0.00 H new ATOM 0 HA2 GLY A 88 6.216 -9.374 1.563 1.00 0.00 H new ATOM 0 HA3 GLY A 88 7.143 -10.795 1.998 1.00 0.00 H new ATOM 1450 N GLU A 89 7.521 -11.015 -0.935 1.00 0.00 N ATOM 1451 CA GLU A 89 8.372 -10.894 -2.113 1.00 0.00 C ATOM 1452 C GLU A 89 8.456 -9.443 -2.577 1.00 0.00 C ATOM 1453 O GLU A 89 9.539 -8.932 -2.862 1.00 0.00 O ATOM 1454 CB GLU A 89 7.840 -11.774 -3.246 1.00 0.00 C ATOM 1455 CG GLU A 89 8.204 -13.242 -3.098 1.00 0.00 C ATOM 1456 CD GLU A 89 9.584 -13.559 -3.639 1.00 0.00 C ATOM 1457 OE1 GLU A 89 10.435 -12.645 -3.663 1.00 0.00 O ATOM 1458 OE2 GLU A 89 9.814 -14.720 -4.038 1.00 0.00 O ATOM 0 H GLU A 89 6.951 -11.860 -0.911 1.00 0.00 H new ATOM 0 HA GLU A 89 9.373 -11.229 -1.842 1.00 0.00 H new ATOM 0 HB2 GLU A 89 6.755 -11.680 -3.289 1.00 0.00 H new ATOM 0 HB3 GLU A 89 8.230 -11.405 -4.195 1.00 0.00 H new ATOM 0 HG2 GLU A 89 8.158 -13.519 -2.045 1.00 0.00 H new ATOM 0 HG3 GLU A 89 7.465 -13.850 -3.620 1.00 0.00 H new ATOM 1465 N VAL A 90 7.304 -8.785 -2.653 1.00 0.00 N ATOM 1466 CA VAL A 90 7.246 -7.393 -3.083 1.00 0.00 C ATOM 1467 C VAL A 90 6.910 -6.471 -1.916 1.00 0.00 C ATOM 1468 O VAL A 90 6.038 -6.773 -1.101 1.00 0.00 O ATOM 1469 CB VAL A 90 6.202 -7.192 -4.197 1.00 0.00 C ATOM 1470 CG1 VAL A 90 5.909 -5.713 -4.395 1.00 0.00 C ATOM 1471 CG2 VAL A 90 6.679 -7.828 -5.494 1.00 0.00 C ATOM 0 H VAL A 90 6.398 -9.193 -2.422 1.00 0.00 H new ATOM 0 HA VAL A 90 8.233 -7.141 -3.470 1.00 0.00 H new ATOM 0 HB VAL A 90 5.277 -7.683 -3.897 1.00 0.00 H new ATOM 0 HG11 VAL A 90 5.169 -5.591 -5.186 1.00 0.00 H new ATOM 0 HG12 VAL A 90 5.521 -5.292 -3.468 1.00 0.00 H new ATOM 0 HG13 VAL A 90 6.826 -5.194 -4.673 1.00 0.00 H new ATOM 0 HG21 VAL A 90 5.929 -7.677 -6.271 1.00 0.00 H new ATOM 0 HG22 VAL A 90 7.618 -7.367 -5.801 1.00 0.00 H new ATOM 0 HG23 VAL A 90 6.832 -8.896 -5.341 1.00 0.00 H new ATOM 1481 N THR A 91 7.610 -5.342 -1.840 1.00 0.00 N ATOM 1482 CA THR A 91 7.387 -4.376 -0.772 1.00 0.00 C ATOM 1483 C THR A 91 6.326 -3.355 -1.167 1.00 0.00 C ATOM 1484 O THR A 91 6.187 -2.988 -2.334 1.00 0.00 O ATOM 1485 CB THR A 91 8.686 -3.633 -0.407 1.00 0.00 C ATOM 1486 OG1 THR A 91 9.286 -3.085 -1.587 1.00 0.00 O ATOM 1487 CG2 THR A 91 9.669 -4.569 0.280 1.00 0.00 C ATOM 0 H THR A 91 8.335 -5.075 -2.506 1.00 0.00 H new ATOM 0 HA THR A 91 7.042 -4.938 0.096 1.00 0.00 H new ATOM 0 HB THR A 91 8.436 -2.825 0.281 1.00 0.00 H new ATOM 0 HG1 THR A 91 10.259 -3.195 -1.541 1.00 0.00 H new ATOM 0 HG21 THR A 91 10.579 -4.023 0.528 1.00 0.00 H new ATOM 0 HG22 THR A 91 9.221 -4.961 1.193 1.00 0.00 H new ATOM 0 HG23 THR A 91 9.913 -5.395 -0.388 1.00 0.00 H new ATOM 1495 N PRO A 92 5.558 -2.884 -0.173 1.00 0.00 N ATOM 1496 CA PRO A 92 4.496 -1.898 -0.393 1.00 0.00 C ATOM 1497 C PRO A 92 5.047 -0.522 -0.750 1.00 0.00 C ATOM 1498 O PRO A 92 4.291 0.396 -1.069 1.00 0.00 O ATOM 1499 CB PRO A 92 3.772 -1.851 0.955 1.00 0.00 C ATOM 1500 CG PRO A 92 4.794 -2.279 1.950 1.00 0.00 C ATOM 1501 CD PRO A 92 5.667 -3.278 1.241 1.00 0.00 C ATOM 0 HA PRO A 92 3.852 -2.172 -1.229 1.00 0.00 H new ATOM 0 HB2 PRO A 92 3.404 -0.848 1.172 1.00 0.00 H new ATOM 0 HB3 PRO A 92 2.908 -2.516 0.964 1.00 0.00 H new ATOM 0 HG2 PRO A 92 5.379 -1.428 2.300 1.00 0.00 H new ATOM 0 HG3 PRO A 92 4.323 -2.724 2.826 1.00 0.00 H new ATOM 0 HD2 PRO A 92 6.698 -3.232 1.593 1.00 0.00 H new ATOM 0 HD3 PRO A 92 5.321 -4.299 1.401 1.00 0.00 H new ATOM 1509 N ASP A 93 6.367 -0.387 -0.696 1.00 0.00 N ATOM 1510 CA ASP A 93 7.020 0.877 -1.016 1.00 0.00 C ATOM 1511 C ASP A 93 7.647 0.829 -2.405 1.00 0.00 C ATOM 1512 O ASP A 93 7.730 1.845 -3.096 1.00 0.00 O ATOM 1513 CB ASP A 93 8.089 1.202 0.029 1.00 0.00 C ATOM 1514 CG ASP A 93 7.509 1.364 1.420 1.00 0.00 C ATOM 1515 OD1 ASP A 93 6.853 0.418 1.903 1.00 0.00 O ATOM 1516 OD2 ASP A 93 7.713 2.437 2.026 1.00 0.00 O ATOM 0 H ASP A 93 7.006 -1.137 -0.434 1.00 0.00 H new ATOM 0 HA ASP A 93 6.263 1.661 -1.006 1.00 0.00 H new ATOM 0 HB2 ASP A 93 8.835 0.408 0.040 1.00 0.00 H new ATOM 0 HB3 ASP A 93 8.604 2.119 -0.256 1.00 0.00 H new ATOM 1521 N HIS A 94 8.088 -0.358 -2.809 1.00 0.00 N ATOM 1522 CA HIS A 94 8.709 -0.539 -4.117 1.00 0.00 C ATOM 1523 C HIS A 94 7.651 -0.759 -5.194 1.00 0.00 C ATOM 1524 O HIS A 94 7.845 -0.392 -6.353 1.00 0.00 O ATOM 1525 CB HIS A 94 9.676 -1.723 -4.086 1.00 0.00 C ATOM 1526 CG HIS A 94 10.662 -1.719 -5.214 1.00 0.00 C ATOM 1527 ND1 HIS A 94 11.718 -0.836 -5.287 1.00 0.00 N ATOM 1528 CD2 HIS A 94 10.749 -2.500 -6.316 1.00 0.00 C ATOM 1529 CE1 HIS A 94 12.411 -1.072 -6.387 1.00 0.00 C ATOM 1530 NE2 HIS A 94 11.844 -2.078 -7.029 1.00 0.00 N ATOM 0 H HIS A 94 8.027 -1.209 -2.250 1.00 0.00 H new ATOM 0 HA HIS A 94 9.264 0.368 -4.357 1.00 0.00 H new ATOM 0 HB2 HIS A 94 10.218 -1.715 -3.140 1.00 0.00 H new ATOM 0 HB3 HIS A 94 9.104 -2.650 -4.117 1.00 0.00 H new ATOM 0 HD2 HIS A 94 10.081 -3.305 -6.585 1.00 0.00 H new ATOM 0 HE1 HIS A 94 13.291 -0.534 -6.707 1.00 0.00 H new ATOM 0 HE2 HIS A 94 12.167 -2.476 -7.911 1.00 0.00 H new ATOM 1539 N LEU A 95 6.533 -1.362 -4.804 1.00 0.00 N ATOM 1540 CA LEU A 95 5.444 -1.632 -5.737 1.00 0.00 C ATOM 1541 C LEU A 95 5.154 -0.410 -6.603 1.00 0.00 C ATOM 1542 O LEU A 95 4.808 -0.538 -7.778 1.00 0.00 O ATOM 1543 CB LEU A 95 4.183 -2.042 -4.974 1.00 0.00 C ATOM 1544 CG LEU A 95 2.962 -2.380 -5.830 1.00 0.00 C ATOM 1545 CD1 LEU A 95 3.054 -3.804 -6.354 1.00 0.00 C ATOM 1546 CD2 LEU A 95 1.681 -2.186 -5.030 1.00 0.00 C ATOM 0 H LEU A 95 6.357 -1.673 -3.849 1.00 0.00 H new ATOM 0 HA LEU A 95 5.750 -2.451 -6.388 1.00 0.00 H new ATOM 0 HB2 LEU A 95 4.421 -2.909 -4.358 1.00 0.00 H new ATOM 0 HB3 LEU A 95 3.914 -1.233 -4.295 1.00 0.00 H new ATOM 0 HG LEU A 95 2.941 -1.702 -6.683 1.00 0.00 H new ATOM 0 HD11 LEU A 95 2.176 -4.026 -6.961 1.00 0.00 H new ATOM 0 HD12 LEU A 95 3.952 -3.910 -6.962 1.00 0.00 H new ATOM 0 HD13 LEU A 95 3.100 -4.498 -5.515 1.00 0.00 H new ATOM 0 HD21 LEU A 95 0.822 -2.431 -5.654 1.00 0.00 H new ATOM 0 HD22 LEU A 95 1.694 -2.840 -4.158 1.00 0.00 H new ATOM 0 HD23 LEU A 95 1.609 -1.148 -4.704 1.00 0.00 H new ATOM 1558 N ILE A 96 5.298 0.773 -6.016 1.00 0.00 N ATOM 1559 CA ILE A 96 5.054 2.017 -6.735 1.00 0.00 C ATOM 1560 C ILE A 96 6.171 2.303 -7.734 1.00 0.00 C ATOM 1561 O ILE A 96 5.913 2.607 -8.898 1.00 0.00 O ATOM 1562 CB ILE A 96 4.927 3.210 -5.769 1.00 0.00 C ATOM 1563 CG1 ILE A 96 3.991 2.860 -4.611 1.00 0.00 C ATOM 1564 CG2 ILE A 96 4.425 4.440 -6.510 1.00 0.00 C ATOM 1565 CD1 ILE A 96 4.158 3.758 -3.406 1.00 0.00 C ATOM 0 H ILE A 96 5.582 0.896 -5.044 1.00 0.00 H new ATOM 0 HA ILE A 96 4.113 1.892 -7.271 1.00 0.00 H new ATOM 0 HB ILE A 96 5.912 3.433 -5.360 1.00 0.00 H new ATOM 0 HG12 ILE A 96 2.959 2.919 -4.958 1.00 0.00 H new ATOM 0 HG13 ILE A 96 4.168 1.827 -4.311 1.00 0.00 H new ATOM 0 HG21 ILE A 96 4.340 5.275 -5.814 1.00 0.00 H new ATOM 0 HG22 ILE A 96 5.127 4.698 -7.303 1.00 0.00 H new ATOM 0 HG23 ILE A 96 3.448 4.229 -6.944 1.00 0.00 H new ATOM 0 HD11 ILE A 96 3.463 3.451 -2.625 1.00 0.00 H new ATOM 0 HD12 ILE A 96 5.179 3.681 -3.034 1.00 0.00 H new ATOM 0 HD13 ILE A 96 3.952 4.790 -3.690 1.00 0.00 H new ATOM 1577 N ARG A 97 7.412 2.200 -7.270 1.00 0.00 N ATOM 1578 CA ARG A 97 8.569 2.447 -8.123 1.00 0.00 C ATOM 1579 C ARG A 97 8.526 1.563 -9.366 1.00 0.00 C ATOM 1580 O ARG A 97 9.031 1.937 -10.424 1.00 0.00 O ATOM 1581 CB ARG A 97 9.864 2.194 -7.348 1.00 0.00 C ATOM 1582 CG ARG A 97 10.132 3.219 -6.259 1.00 0.00 C ATOM 1583 CD ARG A 97 11.332 2.830 -5.411 1.00 0.00 C ATOM 1584 NE ARG A 97 11.946 3.988 -4.767 1.00 0.00 N ATOM 1585 CZ ARG A 97 12.750 4.839 -5.397 1.00 0.00 C ATOM 1586 NH1 ARG A 97 13.034 4.661 -6.679 1.00 0.00 N ATOM 1587 NH2 ARG A 97 13.270 5.869 -4.743 1.00 0.00 N ATOM 0 H ARG A 97 7.642 1.947 -6.309 1.00 0.00 H new ATOM 0 HA ARG A 97 8.541 3.490 -8.439 1.00 0.00 H new ATOM 0 HB2 ARG A 97 9.821 1.202 -6.899 1.00 0.00 H new ATOM 0 HB3 ARG A 97 10.701 2.191 -8.046 1.00 0.00 H new ATOM 0 HG2 ARG A 97 10.306 4.195 -6.712 1.00 0.00 H new ATOM 0 HG3 ARG A 97 9.252 3.315 -5.623 1.00 0.00 H new ATOM 0 HD2 ARG A 97 11.021 2.114 -4.650 1.00 0.00 H new ATOM 0 HD3 ARG A 97 12.071 2.329 -6.037 1.00 0.00 H new ATOM 0 HE ARG A 97 11.747 4.153 -3.780 1.00 0.00 H new ATOM 0 HH11 ARG A 97 12.635 3.870 -7.185 1.00 0.00 H new ATOM 0 HH12 ARG A 97 13.651 5.315 -7.160 1.00 0.00 H new ATOM 0 HH21 ARG A 97 13.053 6.009 -3.756 1.00 0.00 H new ATOM 0 HH22 ARG A 97 13.887 6.522 -5.227 1.00 0.00 H new ATOM 1601 N MET A 98 7.920 0.388 -9.229 1.00 0.00 N ATOM 1602 CA MET A 98 7.812 -0.549 -10.342 1.00 0.00 C ATOM 1603 C MET A 98 7.156 0.114 -11.549 1.00 0.00 C ATOM 1604 O MET A 98 6.676 1.244 -11.463 1.00 0.00 O ATOM 1605 CB MET A 98 7.007 -1.781 -9.922 1.00 0.00 C ATOM 1606 CG MET A 98 7.623 -2.543 -8.760 1.00 0.00 C ATOM 1607 SD MET A 98 8.843 -3.758 -9.296 1.00 0.00 S ATOM 1608 CE MET A 98 7.790 -5.164 -9.644 1.00 0.00 C ATOM 0 H MET A 98 7.497 0.062 -8.360 1.00 0.00 H new ATOM 0 HA MET A 98 8.818 -0.859 -10.623 1.00 0.00 H new ATOM 0 HB2 MET A 98 5.999 -1.470 -9.648 1.00 0.00 H new ATOM 0 HB3 MET A 98 6.913 -2.452 -10.776 1.00 0.00 H new ATOM 0 HG2 MET A 98 8.095 -1.837 -8.077 1.00 0.00 H new ATOM 0 HG3 MET A 98 6.834 -3.048 -8.202 1.00 0.00 H new ATOM 0 HE1 MET A 98 8.400 -5.999 -9.987 1.00 0.00 H new ATOM 0 HE2 MET A 98 7.257 -5.452 -8.738 1.00 0.00 H new ATOM 0 HE3 MET A 98 7.071 -4.897 -10.419 1.00 0.00 H new ATOM 1618 N SER A 99 7.141 -0.596 -12.672 1.00 0.00 N ATOM 1619 CA SER A 99 6.548 -0.074 -13.898 1.00 0.00 C ATOM 1620 C SER A 99 5.207 -0.745 -14.181 1.00 0.00 C ATOM 1621 O SER A 99 4.957 -1.884 -13.786 1.00 0.00 O ATOM 1622 CB SER A 99 7.496 -0.287 -15.079 1.00 0.00 C ATOM 1623 OG SER A 99 6.777 -0.438 -16.291 1.00 0.00 O ATOM 0 H SER A 99 7.532 -1.534 -12.759 1.00 0.00 H new ATOM 0 HA SER A 99 6.380 0.995 -13.764 1.00 0.00 H new ATOM 0 HB2 SER A 99 8.177 0.560 -15.160 1.00 0.00 H new ATOM 0 HB3 SER A 99 8.108 -1.172 -14.903 1.00 0.00 H new ATOM 0 HG SER A 99 7.406 -0.571 -17.030 1.00 0.00 H new ATOM 1629 N PRO A 100 4.321 -0.022 -14.883 1.00 0.00 N ATOM 1630 CA PRO A 100 2.991 -0.526 -15.236 1.00 0.00 C ATOM 1631 C PRO A 100 3.050 -1.642 -16.273 1.00 0.00 C ATOM 1632 O PRO A 100 2.046 -2.299 -16.548 1.00 0.00 O ATOM 1633 CB PRO A 100 2.287 0.705 -15.814 1.00 0.00 C ATOM 1634 CG PRO A 100 3.390 1.571 -16.315 1.00 0.00 C ATOM 1635 CD PRO A 100 4.551 1.343 -15.386 1.00 0.00 C ATOM 0 HA PRO A 100 2.480 -0.963 -14.378 1.00 0.00 H new ATOM 0 HB2 PRO A 100 1.604 0.430 -16.617 1.00 0.00 H new ATOM 0 HB3 PRO A 100 1.696 1.216 -15.054 1.00 0.00 H new ATOM 0 HG2 PRO A 100 3.654 1.312 -17.340 1.00 0.00 H new ATOM 0 HG3 PRO A 100 3.092 2.620 -16.317 1.00 0.00 H new ATOM 0 HD2 PRO A 100 5.505 1.424 -15.907 1.00 0.00 H new ATOM 0 HD3 PRO A 100 4.567 2.072 -14.576 1.00 0.00 H new ATOM 1643 N GLU A 101 4.231 -1.850 -16.845 1.00 0.00 N ATOM 1644 CA GLU A 101 4.419 -2.887 -17.853 1.00 0.00 C ATOM 1645 C GLU A 101 5.013 -4.148 -17.231 1.00 0.00 C ATOM 1646 O GLU A 101 4.807 -5.254 -17.731 1.00 0.00 O ATOM 1647 CB GLU A 101 5.330 -2.381 -18.974 1.00 0.00 C ATOM 1648 CG GLU A 101 5.602 -3.417 -20.051 1.00 0.00 C ATOM 1649 CD GLU A 101 6.051 -2.795 -21.359 1.00 0.00 C ATOM 1650 OE1 GLU A 101 7.155 -2.213 -21.391 1.00 0.00 O ATOM 1651 OE2 GLU A 101 5.298 -2.892 -22.351 1.00 0.00 O ATOM 0 H GLU A 101 5.072 -1.315 -16.628 1.00 0.00 H new ATOM 0 HA GLU A 101 3.443 -3.133 -18.271 1.00 0.00 H new ATOM 0 HB2 GLU A 101 4.875 -1.503 -19.433 1.00 0.00 H new ATOM 0 HB3 GLU A 101 6.278 -2.060 -18.543 1.00 0.00 H new ATOM 0 HG2 GLU A 101 6.368 -4.108 -19.700 1.00 0.00 H new ATOM 0 HG3 GLU A 101 4.699 -4.003 -20.223 1.00 0.00 H new ATOM 1658 N GLU A 102 5.751 -3.972 -16.140 1.00 0.00 N ATOM 1659 CA GLU A 102 6.375 -5.096 -15.451 1.00 0.00 C ATOM 1660 C GLU A 102 5.418 -5.710 -14.433 1.00 0.00 C ATOM 1661 O GLU A 102 5.392 -6.927 -14.244 1.00 0.00 O ATOM 1662 CB GLU A 102 7.659 -4.645 -14.753 1.00 0.00 C ATOM 1663 CG GLU A 102 7.439 -4.156 -13.331 1.00 0.00 C ATOM 1664 CD GLU A 102 8.738 -3.838 -12.616 1.00 0.00 C ATOM 1665 OE1 GLU A 102 9.359 -4.773 -12.068 1.00 0.00 O ATOM 1666 OE2 GLU A 102 9.134 -2.654 -12.604 1.00 0.00 O ATOM 0 H GLU A 102 5.932 -3.063 -15.714 1.00 0.00 H new ATOM 0 HA GLU A 102 6.621 -5.854 -16.195 1.00 0.00 H new ATOM 0 HB2 GLU A 102 8.365 -5.475 -14.738 1.00 0.00 H new ATOM 0 HB3 GLU A 102 8.118 -3.847 -15.336 1.00 0.00 H new ATOM 0 HG2 GLU A 102 6.812 -3.265 -13.350 1.00 0.00 H new ATOM 0 HG3 GLU A 102 6.896 -4.916 -12.769 1.00 0.00 H new ATOM 1673 N LEU A 103 4.634 -4.860 -13.780 1.00 0.00 N ATOM 1674 CA LEU A 103 3.675 -5.318 -12.780 1.00 0.00 C ATOM 1675 C LEU A 103 2.877 -6.510 -13.297 1.00 0.00 C ATOM 1676 O LEU A 103 2.589 -7.447 -12.552 1.00 0.00 O ATOM 1677 CB LEU A 103 2.725 -4.181 -12.399 1.00 0.00 C ATOM 1678 CG LEU A 103 3.293 -3.119 -11.457 1.00 0.00 C ATOM 1679 CD1 LEU A 103 2.552 -1.802 -11.629 1.00 0.00 C ATOM 1680 CD2 LEU A 103 3.219 -3.591 -10.013 1.00 0.00 C ATOM 0 H LEU A 103 4.643 -3.850 -13.924 1.00 0.00 H new ATOM 0 HA LEU A 103 4.230 -5.632 -11.896 1.00 0.00 H new ATOM 0 HB2 LEU A 103 2.395 -3.688 -13.314 1.00 0.00 H new ATOM 0 HB3 LEU A 103 1.840 -4.615 -11.934 1.00 0.00 H new ATOM 0 HG LEU A 103 4.341 -2.959 -11.711 1.00 0.00 H new ATOM 0 HD11 LEU A 103 2.970 -1.058 -10.951 1.00 0.00 H new ATOM 0 HD12 LEU A 103 2.659 -1.456 -12.657 1.00 0.00 H new ATOM 0 HD13 LEU A 103 1.496 -1.947 -11.403 1.00 0.00 H new ATOM 0 HD21 LEU A 103 3.628 -2.822 -9.357 1.00 0.00 H new ATOM 0 HD22 LEU A 103 2.180 -3.781 -9.745 1.00 0.00 H new ATOM 0 HD23 LEU A 103 3.797 -4.509 -9.900 1.00 0.00 H new