USER MOD reduce.3.24.130724 H: found=0, std=0, add=710, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 711 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 Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= -0.415 K(o=-0.42,f=-2.5) USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 ASN : amide:sc= -1.02 K(o=-1,f=-6.4!) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 CYS SG : rot 21:sc= 0.332 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 CYS SG : rot 180:sc= -1.17 USER MOD Single : A 32 SER OG : rot 100:sc= 0.567 USER MOD Single : A 34 ASN : amide:sc= -0.284 K(o=-0.28,f=-6.6!) USER MOD Single : A 38 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0802) USER MOD Single : A 40 THR OG1 : rot -12:sc= 0.946 USER MOD Single : A 41 LYS NZ :NH3+ -112:sc=-0.00186 (180deg=-3.94!) USER MOD Single : A 42 ASN : amide:sc= -0.116 X(o=-0.12,f=-0.0075) USER MOD Single : A 47 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 GLN : amide:sc= -0.619 K(o=-0.62,f=-1.9!) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 HIS : no HD1:sc= -6.04! C(o=-6!,f=-5.4!) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 ASN : amide:sc= -0.145 X(o=-0.14,f=-0.24) USER MOD Single : A 70 THR OG1 : rot 63:sc= 0.105 USER MOD Single : A 76 TYR OH : rot -29:sc= 0.172 USER MOD Single : A 83 TYR OH : rot 93:sc= -2.16! USER MOD Single : A 84 ASN : amide:sc= -1.43! C(o=-1.4!,f=-1.2!) USER MOD Single : A 86 THR OG1 : rot 37:sc= 0.0565 USER MOD Single : A 90 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.0536) USER MOD Single : A 92 HIS : no HD1:sc= -0.346 X(o=-0.35,f=-0.2) USER MOD ----------------------------------------------------------------- ATOM 66 N LEU A 8 -13.227 -1.615 12.394 1.00 0.00 N ATOM 67 CA LEU A 8 -11.955 -2.225 12.023 1.00 0.00 C ATOM 68 C LEU A 8 -10.884 -1.932 13.069 1.00 0.00 C ATOM 69 O LEU A 8 -10.599 -0.774 13.374 1.00 0.00 O ATOM 70 CB LEU A 8 -11.501 -1.712 10.655 1.00 0.00 C ATOM 71 CG LEU A 8 -10.508 -2.598 9.902 1.00 0.00 C ATOM 72 CD1 LEU A 8 -11.158 -3.915 9.509 1.00 0.00 C ATOM 73 CD2 LEU A 8 -9.975 -1.877 8.672 1.00 0.00 C ATOM 0 HA LEU A 8 -12.100 -3.304 11.971 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -12.383 -1.576 10.029 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -11.051 -0.729 10.789 1.00 0.00 H new ATOM 0 HG LEU A 8 -9.670 -2.814 10.564 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -10.436 -4.532 8.974 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -11.489 -4.439 10.406 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -12.016 -3.720 8.865 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -9.270 -2.523 8.149 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -10.803 -1.630 8.008 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -9.470 -0.961 8.978 1.00 0.00 H new ATOM 85 N LYS A 9 -10.293 -2.990 13.615 1.00 0.00 N ATOM 86 CA LYS A 9 -9.251 -2.848 14.625 1.00 0.00 C ATOM 87 C LYS A 9 -7.870 -3.069 14.016 1.00 0.00 C ATOM 88 O LYS A 9 -7.242 -4.105 14.238 1.00 0.00 O ATOM 89 CB LYS A 9 -9.481 -3.839 15.767 1.00 0.00 C ATOM 90 CG LYS A 9 -10.814 -3.656 16.473 1.00 0.00 C ATOM 91 CD LYS A 9 -10.755 -4.143 17.911 1.00 0.00 C ATOM 92 CE LYS A 9 -12.113 -4.632 18.389 1.00 0.00 C ATOM 93 NZ LYS A 9 -13.072 -3.509 18.581 1.00 0.00 N ATOM 0 H LYS A 9 -10.518 -3.955 13.375 1.00 0.00 H new ATOM 0 HA LYS A 9 -9.297 -1.833 15.019 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -9.424 -4.854 15.373 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -8.677 -3.734 16.495 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -11.094 -2.603 16.456 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -11.590 -4.201 15.935 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -10.027 -4.950 17.994 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -10.410 -3.335 18.556 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -12.520 -5.337 17.665 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -11.994 -5.172 19.328 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -13.985 -3.884 18.907 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -12.696 -2.849 19.291 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -13.206 -3.009 17.679 1.00 0.00 H new ATOM 107 N ILE A 10 -7.402 -2.089 13.250 1.00 0.00 N ATOM 108 CA ILE A 10 -6.094 -2.177 12.613 1.00 0.00 C ATOM 109 C ILE A 10 -5.048 -2.725 13.577 1.00 0.00 C ATOM 110 O ILE A 10 -4.733 -2.098 14.591 1.00 0.00 O ATOM 111 CB ILE A 10 -5.628 -0.804 12.093 1.00 0.00 C ATOM 112 CG1 ILE A 10 -6.614 -0.267 11.054 1.00 0.00 C ATOM 113 CG2 ILE A 10 -4.231 -0.909 11.500 1.00 0.00 C ATOM 114 CD1 ILE A 10 -6.620 1.243 10.950 1.00 0.00 C ATOM 0 H ILE A 10 -7.909 -1.226 13.056 1.00 0.00 H new ATOM 0 HA ILE A 10 -6.199 -2.859 11.770 1.00 0.00 H new ATOM 0 HB ILE A 10 -5.595 -0.107 12.930 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -6.368 -0.689 10.080 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -7.618 -0.610 11.306 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -3.915 0.069 11.137 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -3.536 -1.253 12.266 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -4.239 -1.618 10.672 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -7.342 1.553 10.195 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -6.895 1.673 11.913 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -5.627 1.592 10.667 1.00 0.00 H new ATOM 126 N LEU A 11 -4.510 -3.896 13.256 1.00 0.00 N ATOM 127 CA LEU A 11 -3.496 -4.528 14.093 1.00 0.00 C ATOM 128 C LEU A 11 -2.102 -4.026 13.733 1.00 0.00 C ATOM 129 O LEU A 11 -1.451 -3.344 14.525 1.00 0.00 O ATOM 130 CB LEU A 11 -3.558 -6.049 13.942 1.00 0.00 C ATOM 131 CG LEU A 11 -4.779 -6.736 14.556 1.00 0.00 C ATOM 132 CD1 LEU A 11 -5.076 -8.042 13.835 1.00 0.00 C ATOM 133 CD2 LEU A 11 -4.562 -6.982 16.042 1.00 0.00 C ATOM 0 H LEU A 11 -4.759 -4.428 12.422 1.00 0.00 H new ATOM 0 HA LEU A 11 -3.700 -4.263 15.130 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -3.527 -6.290 12.879 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -2.662 -6.475 14.392 1.00 0.00 H new ATOM 0 HG LEU A 11 -5.639 -6.077 14.439 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -5.948 -8.516 14.286 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -5.277 -7.839 12.783 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -4.217 -8.707 13.919 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -5.441 -7.471 16.462 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -3.690 -7.621 16.182 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -4.400 -6.031 16.548 1.00 0.00 H new ATOM 145 N THR A 12 -1.648 -4.367 12.530 1.00 0.00 N ATOM 146 CA THR A 12 -0.332 -3.951 12.064 1.00 0.00 C ATOM 147 C THR A 12 -0.445 -2.968 10.904 1.00 0.00 C ATOM 148 O THR A 12 -0.451 -3.351 9.733 1.00 0.00 O ATOM 149 CB THR A 12 0.514 -5.158 11.619 1.00 0.00 C ATOM 150 OG1 THR A 12 0.528 -6.153 12.648 1.00 0.00 O ATOM 151 CG2 THR A 12 1.939 -4.732 11.299 1.00 0.00 C ATOM 0 H THR A 12 -2.173 -4.930 11.861 1.00 0.00 H new ATOM 0 HA THR A 12 0.161 -3.462 12.904 1.00 0.00 H new ATOM 0 HB THR A 12 0.065 -5.575 10.717 1.00 0.00 H new ATOM 0 HG1 THR A 12 1.067 -6.918 12.356 1.00 0.00 H new ATOM 0 HG21 THR A 12 2.517 -5.602 10.987 1.00 0.00 H new ATOM 0 HG22 THR A 12 1.927 -3.997 10.495 1.00 0.00 H new ATOM 0 HG23 THR A 12 2.395 -4.292 12.186 1.00 0.00 H new ATOM 159 N PRO A 13 -0.536 -1.671 11.232 1.00 0.00 N ATOM 160 CA PRO A 13 -0.649 -0.607 10.231 1.00 0.00 C ATOM 161 C PRO A 13 0.640 -0.416 9.439 1.00 0.00 C ATOM 162 O PRO A 13 1.737 -0.624 9.959 1.00 0.00 O ATOM 163 CB PRO A 13 -0.951 0.638 11.069 1.00 0.00 C ATOM 164 CG PRO A 13 -0.378 0.339 12.411 1.00 0.00 C ATOM 165 CD PRO A 13 -0.535 -1.143 12.607 1.00 0.00 C ATOM 0 HA PRO A 13 -1.411 -0.830 9.484 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -0.497 1.528 10.634 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -2.023 0.824 11.129 1.00 0.00 H new ATOM 0 HG2 PRO A 13 0.671 0.630 12.461 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -0.900 0.893 13.191 1.00 0.00 H new ATOM 0 HD2 PRO A 13 0.282 -1.559 13.197 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -1.460 -1.383 13.130 1.00 0.00 H new ATOM 173 N LEU A 14 0.501 -0.021 8.178 1.00 0.00 N ATOM 174 CA LEU A 14 1.656 0.198 7.314 1.00 0.00 C ATOM 175 C LEU A 14 2.721 1.024 8.027 1.00 0.00 C ATOM 176 O LEU A 14 2.408 1.954 8.771 1.00 0.00 O ATOM 177 CB LEU A 14 1.226 0.902 6.025 1.00 0.00 C ATOM 178 CG LEU A 14 0.131 0.208 5.214 1.00 0.00 C ATOM 179 CD1 LEU A 14 -0.672 1.227 4.420 1.00 0.00 C ATOM 180 CD2 LEU A 14 0.735 -0.837 4.288 1.00 0.00 C ATOM 0 H LEU A 14 -0.399 0.154 7.731 1.00 0.00 H new ATOM 0 HA LEU A 14 2.083 -0.774 7.066 1.00 0.00 H new ATOM 0 HB2 LEU A 14 0.882 1.904 6.280 1.00 0.00 H new ATOM 0 HB3 LEU A 14 2.103 1.019 5.388 1.00 0.00 H new ATOM 0 HG LEU A 14 -0.544 -0.296 5.906 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -1.447 0.715 3.849 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -1.136 1.938 5.104 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -0.010 1.760 3.737 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -0.059 -1.321 3.719 1.00 0.00 H new ATOM 0 HD22 LEU A 14 1.432 -0.356 3.602 1.00 0.00 H new ATOM 0 HD23 LEU A 14 1.265 -1.584 4.879 1.00 0.00 H new ATOM 192 N THR A 15 3.984 0.679 7.794 1.00 0.00 N ATOM 193 CA THR A 15 5.096 1.389 8.413 1.00 0.00 C ATOM 194 C THR A 15 5.934 2.117 7.368 1.00 0.00 C ATOM 195 O THR A 15 5.987 1.709 6.207 1.00 0.00 O ATOM 196 CB THR A 15 6.005 0.429 9.204 1.00 0.00 C ATOM 197 OG1 THR A 15 6.529 -0.579 8.333 1.00 0.00 O ATOM 198 CG2 THR A 15 5.238 -0.227 10.343 1.00 0.00 C ATOM 0 H THR A 15 4.262 -0.088 7.181 1.00 0.00 H new ATOM 0 HA THR A 15 4.663 2.117 9.099 1.00 0.00 H new ATOM 0 HB THR A 15 6.827 1.007 9.626 1.00 0.00 H new ATOM 0 HG1 THR A 15 7.107 -1.184 8.843 1.00 0.00 H new ATOM 0 HG21 THR A 15 5.900 -0.900 10.887 1.00 0.00 H new ATOM 0 HG22 THR A 15 4.865 0.541 11.020 1.00 0.00 H new ATOM 0 HG23 THR A 15 4.399 -0.792 9.938 1.00 0.00 H new ATOM 206 N ASP A 16 6.587 3.195 7.786 1.00 0.00 N ATOM 207 CA ASP A 16 7.424 3.980 6.886 1.00 0.00 C ATOM 208 C ASP A 16 8.542 3.123 6.300 1.00 0.00 C ATOM 209 O ASP A 16 9.287 2.473 7.032 1.00 0.00 O ATOM 210 CB ASP A 16 8.018 5.181 7.624 1.00 0.00 C ATOM 211 CG ASP A 16 8.608 4.801 8.968 1.00 0.00 C ATOM 212 OD1 ASP A 16 7.842 4.356 9.848 1.00 0.00 O ATOM 213 OD2 ASP A 16 9.836 4.947 9.138 1.00 0.00 O ATOM 0 H ASP A 16 6.553 3.546 8.743 1.00 0.00 H new ATOM 0 HA ASP A 16 6.799 4.340 6.069 1.00 0.00 H new ATOM 0 HB2 ASP A 16 8.792 5.637 7.006 1.00 0.00 H new ATOM 0 HB3 ASP A 16 7.243 5.933 7.770 1.00 0.00 H new ATOM 218 N GLN A 17 8.652 3.128 4.975 1.00 0.00 N ATOM 219 CA GLN A 17 9.678 2.350 4.291 1.00 0.00 C ATOM 220 C GLN A 17 10.495 3.232 3.352 1.00 0.00 C ATOM 221 O GLN A 17 9.946 4.070 2.636 1.00 0.00 O ATOM 222 CB GLN A 17 9.040 1.203 3.506 1.00 0.00 C ATOM 223 CG GLN A 17 8.529 0.074 4.387 1.00 0.00 C ATOM 224 CD GLN A 17 9.649 -0.699 5.054 1.00 0.00 C ATOM 225 OE1 GLN A 17 10.827 -0.386 4.875 1.00 0.00 O ATOM 226 NE2 GLN A 17 9.289 -1.716 5.828 1.00 0.00 N ATOM 0 H GLN A 17 8.043 3.662 4.354 1.00 0.00 H new ATOM 0 HA GLN A 17 10.347 1.936 5.045 1.00 0.00 H new ATOM 0 HB2 GLN A 17 8.212 1.595 2.915 1.00 0.00 H new ATOM 0 HB3 GLN A 17 9.772 0.803 2.804 1.00 0.00 H new ATOM 0 HG2 GLN A 17 7.871 0.485 5.152 1.00 0.00 H new ATOM 0 HG3 GLN A 17 7.930 -0.609 3.785 1.00 0.00 H new ATOM 0 HE21 GLN A 17 8.301 -1.941 5.949 1.00 0.00 H new ATOM 0 HE22 GLN A 17 10.000 -2.273 6.302 1.00 0.00 H new ATOM 235 N THR A 18 11.810 3.038 3.361 1.00 0.00 N ATOM 236 CA THR A 18 12.702 3.817 2.511 1.00 0.00 C ATOM 237 C THR A 18 13.619 2.909 1.699 1.00 0.00 C ATOM 238 O THR A 18 14.250 2.002 2.241 1.00 0.00 O ATOM 239 CB THR A 18 13.564 4.786 3.342 1.00 0.00 C ATOM 240 OG1 THR A 18 12.723 5.651 4.114 1.00 0.00 O ATOM 241 CG2 THR A 18 14.464 5.618 2.440 1.00 0.00 C ATOM 0 H THR A 18 12.281 2.349 3.947 1.00 0.00 H new ATOM 0 HA THR A 18 12.071 4.392 1.833 1.00 0.00 H new ATOM 0 HB THR A 18 14.191 4.197 4.012 1.00 0.00 H new ATOM 0 HG1 THR A 18 13.279 6.263 4.641 1.00 0.00 H new ATOM 0 HG21 THR A 18 15.063 6.295 3.049 1.00 0.00 H new ATOM 0 HG22 THR A 18 15.123 4.958 1.875 1.00 0.00 H new ATOM 0 HG23 THR A 18 13.851 6.197 1.749 1.00 0.00 H new ATOM 249 N VAL A 19 13.687 3.159 0.395 1.00 0.00 N ATOM 250 CA VAL A 19 14.529 2.365 -0.493 1.00 0.00 C ATOM 251 C VAL A 19 15.194 3.241 -1.548 1.00 0.00 C ATOM 252 O VAL A 19 14.924 4.438 -1.636 1.00 0.00 O ATOM 253 CB VAL A 19 13.717 1.261 -1.196 1.00 0.00 C ATOM 254 CG1 VAL A 19 13.095 0.322 -0.173 1.00 0.00 C ATOM 255 CG2 VAL A 19 12.649 1.872 -2.089 1.00 0.00 C ATOM 0 H VAL A 19 13.169 3.905 -0.070 1.00 0.00 H new ATOM 0 HA VAL A 19 15.297 1.903 0.127 1.00 0.00 H new ATOM 0 HB VAL A 19 14.393 0.680 -1.823 1.00 0.00 H new ATOM 0 HG11 VAL A 19 12.525 -0.451 -0.688 1.00 0.00 H new ATOM 0 HG12 VAL A 19 13.882 -0.142 0.421 1.00 0.00 H new ATOM 0 HG13 VAL A 19 12.431 0.886 0.482 1.00 0.00 H new ATOM 0 HG21 VAL A 19 12.085 1.077 -2.578 1.00 0.00 H new ATOM 0 HG22 VAL A 19 11.973 2.478 -1.486 1.00 0.00 H new ATOM 0 HG23 VAL A 19 13.122 2.499 -2.845 1.00 0.00 H new ATOM 265 N ASN A 20 16.067 2.636 -2.347 1.00 0.00 N ATOM 266 CA ASN A 20 16.772 3.361 -3.398 1.00 0.00 C ATOM 267 C ASN A 20 16.076 3.182 -4.743 1.00 0.00 C ATOM 268 O ASN A 20 15.454 2.151 -5.001 1.00 0.00 O ATOM 269 CB ASN A 20 18.222 2.880 -3.493 1.00 0.00 C ATOM 270 CG ASN A 20 19.132 3.911 -4.133 1.00 0.00 C ATOM 271 OD1 ASN A 20 18.825 4.451 -5.196 1.00 0.00 O ATOM 272 ND2 ASN A 20 20.258 4.189 -3.486 1.00 0.00 N ATOM 0 H ASN A 20 16.303 1.646 -2.287 1.00 0.00 H new ATOM 0 HA ASN A 20 16.763 4.421 -3.143 1.00 0.00 H new ATOM 0 HB2 ASN A 20 18.590 2.644 -2.494 1.00 0.00 H new ATOM 0 HB3 ASN A 20 18.259 1.957 -4.072 1.00 0.00 H new ATOM 0 HD21 ASN A 20 20.909 4.875 -3.868 1.00 0.00 H new ATOM 0 HD22 ASN A 20 20.471 3.717 -2.607 1.00 0.00 H new ATOM 279 N LEU A 21 16.185 4.193 -5.598 1.00 0.00 N ATOM 280 CA LEU A 21 15.567 4.149 -6.919 1.00 0.00 C ATOM 281 C LEU A 21 15.881 2.832 -7.623 1.00 0.00 C ATOM 282 O LEU A 21 17.044 2.485 -7.822 1.00 0.00 O ATOM 283 CB LEU A 21 16.052 5.324 -7.770 1.00 0.00 C ATOM 284 CG LEU A 21 15.254 5.603 -9.045 1.00 0.00 C ATOM 285 CD1 LEU A 21 14.082 6.526 -8.749 1.00 0.00 C ATOM 286 CD2 LEU A 21 16.153 6.205 -10.115 1.00 0.00 C ATOM 0 H LEU A 21 16.696 5.054 -5.400 1.00 0.00 H new ATOM 0 HA LEU A 21 14.487 4.223 -6.791 1.00 0.00 H new ATOM 0 HB2 LEU A 21 16.040 6.223 -7.153 1.00 0.00 H new ATOM 0 HB3 LEU A 21 17.090 5.142 -8.047 1.00 0.00 H new ATOM 0 HG LEU A 21 14.860 4.658 -9.419 1.00 0.00 H new ATOM 0 HD11 LEU A 21 13.526 6.714 -9.667 1.00 0.00 H new ATOM 0 HD12 LEU A 21 13.425 6.057 -8.016 1.00 0.00 H new ATOM 0 HD13 LEU A 21 14.454 7.470 -8.351 1.00 0.00 H new ATOM 0 HD21 LEU A 21 15.569 6.397 -11.015 1.00 0.00 H new ATOM 0 HD22 LEU A 21 16.576 7.141 -9.750 1.00 0.00 H new ATOM 0 HD23 LEU A 21 16.959 5.509 -10.347 1.00 0.00 H new ATOM 298 N GLY A 22 14.834 2.104 -8.000 1.00 0.00 N ATOM 299 CA GLY A 22 15.019 0.836 -8.679 1.00 0.00 C ATOM 300 C GLY A 22 14.694 -0.350 -7.793 1.00 0.00 C ATOM 301 O GLY A 22 14.089 -1.324 -8.241 1.00 0.00 O ATOM 0 H GLY A 22 13.861 2.370 -7.847 1.00 0.00 H new ATOM 0 HA2 GLY A 22 14.386 0.807 -9.566 1.00 0.00 H new ATOM 0 HA3 GLY A 22 16.051 0.758 -9.021 1.00 0.00 H new ATOM 305 N LYS A 23 15.099 -0.270 -6.530 1.00 0.00 N ATOM 306 CA LYS A 23 14.848 -1.345 -5.576 1.00 0.00 C ATOM 307 C LYS A 23 13.400 -1.817 -5.657 1.00 0.00 C ATOM 308 O LYS A 23 12.563 -1.174 -6.290 1.00 0.00 O ATOM 309 CB LYS A 23 15.165 -0.877 -4.154 1.00 0.00 C ATOM 310 CG LYS A 23 16.649 -0.871 -3.832 1.00 0.00 C ATOM 311 CD LYS A 23 16.897 -1.051 -2.343 1.00 0.00 C ATOM 312 CE LYS A 23 18.384 -1.134 -2.032 1.00 0.00 C ATOM 313 NZ LYS A 23 18.884 -2.535 -2.084 1.00 0.00 N ATOM 0 H LYS A 23 15.603 0.528 -6.143 1.00 0.00 H new ATOM 0 HA LYS A 23 15.499 -2.182 -5.830 1.00 0.00 H new ATOM 0 HB2 LYS A 23 14.767 0.128 -4.014 1.00 0.00 H new ATOM 0 HB3 LYS A 23 14.650 -1.525 -3.444 1.00 0.00 H new ATOM 0 HG2 LYS A 23 17.145 -1.669 -4.384 1.00 0.00 H new ATOM 0 HG3 LYS A 23 17.091 0.068 -4.165 1.00 0.00 H new ATOM 0 HD2 LYS A 23 16.456 -0.218 -1.796 1.00 0.00 H new ATOM 0 HD3 LYS A 23 16.401 -1.958 -1.997 1.00 0.00 H new ATOM 0 HE2 LYS A 23 18.939 -0.524 -2.745 1.00 0.00 H new ATOM 0 HE3 LYS A 23 18.572 -0.718 -1.042 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 19.901 -2.549 -1.866 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 18.373 -3.112 -1.386 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 18.728 -2.924 -3.036 1.00 0.00 H new ATOM 327 N GLU A 24 13.112 -2.942 -5.010 1.00 0.00 N ATOM 328 CA GLU A 24 11.764 -3.498 -5.009 1.00 0.00 C ATOM 329 C GLU A 24 11.030 -3.143 -3.720 1.00 0.00 C ATOM 330 O GLU A 24 11.192 -3.810 -2.697 1.00 0.00 O ATOM 331 CB GLU A 24 11.816 -5.018 -5.178 1.00 0.00 C ATOM 332 CG GLU A 24 10.458 -5.648 -5.439 1.00 0.00 C ATOM 333 CD GLU A 24 10.564 -7.069 -5.958 1.00 0.00 C ATOM 334 OE1 GLU A 24 10.952 -7.246 -7.131 1.00 0.00 O ATOM 335 OE2 GLU A 24 10.258 -8.005 -5.189 1.00 0.00 O ATOM 0 H GLU A 24 13.793 -3.486 -4.480 1.00 0.00 H new ATOM 0 HA GLU A 24 11.219 -3.065 -5.848 1.00 0.00 H new ATOM 0 HB2 GLU A 24 12.485 -5.261 -6.004 1.00 0.00 H new ATOM 0 HB3 GLU A 24 12.246 -5.461 -4.279 1.00 0.00 H new ATOM 0 HG2 GLU A 24 9.877 -5.644 -4.517 1.00 0.00 H new ATOM 0 HG3 GLU A 24 9.913 -5.041 -6.162 1.00 0.00 H new ATOM 342 N ILE A 25 10.223 -2.089 -3.776 1.00 0.00 N ATOM 343 CA ILE A 25 9.464 -1.645 -2.614 1.00 0.00 C ATOM 344 C ILE A 25 8.532 -2.744 -2.114 1.00 0.00 C ATOM 345 O ILE A 25 7.934 -3.473 -2.907 1.00 0.00 O ATOM 346 CB ILE A 25 8.633 -0.388 -2.931 1.00 0.00 C ATOM 347 CG1 ILE A 25 9.522 0.697 -3.542 1.00 0.00 C ATOM 348 CG2 ILE A 25 7.950 0.127 -1.672 1.00 0.00 C ATOM 349 CD1 ILE A 25 8.790 1.608 -4.502 1.00 0.00 C ATOM 0 H ILE A 25 10.078 -1.526 -4.614 1.00 0.00 H new ATOM 0 HA ILE A 25 10.189 -1.405 -1.836 1.00 0.00 H new ATOM 0 HB ILE A 25 7.864 -0.653 -3.656 1.00 0.00 H new ATOM 0 HG12 ILE A 25 9.952 1.297 -2.740 1.00 0.00 H new ATOM 0 HG13 ILE A 25 10.352 0.223 -4.065 1.00 0.00 H new ATOM 0 HG21 ILE A 25 7.366 1.016 -1.912 1.00 0.00 H new ATOM 0 HG22 ILE A 25 7.290 -0.644 -1.275 1.00 0.00 H new ATOM 0 HG23 ILE A 25 8.704 0.379 -0.926 1.00 0.00 H new ATOM 0 HD11 ILE A 25 9.482 2.352 -4.896 1.00 0.00 H new ATOM 0 HD12 ILE A 25 8.383 1.019 -5.324 1.00 0.00 H new ATOM 0 HD13 ILE A 25 7.977 2.110 -3.978 1.00 0.00 H new ATOM 361 N CYS A 26 8.412 -2.856 -0.796 1.00 0.00 N ATOM 362 CA CYS A 26 7.551 -3.865 -0.190 1.00 0.00 C ATOM 363 C CYS A 26 6.782 -3.285 0.993 1.00 0.00 C ATOM 364 O CYS A 26 7.344 -2.564 1.819 1.00 0.00 O ATOM 365 CB CYS A 26 8.381 -5.066 0.266 1.00 0.00 C ATOM 366 SG CYS A 26 9.441 -4.733 1.692 1.00 0.00 S ATOM 0 H CYS A 26 8.900 -2.261 -0.127 1.00 0.00 H new ATOM 0 HA CYS A 26 6.833 -4.193 -0.942 1.00 0.00 H new ATOM 0 HB2 CYS A 26 7.708 -5.887 0.512 1.00 0.00 H new ATOM 0 HB3 CYS A 26 9.002 -5.401 -0.565 1.00 0.00 H new ATOM 0 HG CYS A 26 8.986 -3.701 2.339 1.00 0.00 H new ATOM 372 N LEU A 27 5.495 -3.603 1.068 1.00 0.00 N ATOM 373 CA LEU A 27 4.647 -3.112 2.150 1.00 0.00 C ATOM 374 C LEU A 27 3.654 -4.181 2.592 1.00 0.00 C ATOM 375 O LEU A 27 2.920 -4.738 1.776 1.00 0.00 O ATOM 376 CB LEU A 27 3.897 -1.855 1.705 1.00 0.00 C ATOM 377 CG LEU A 27 4.735 -0.583 1.574 1.00 0.00 C ATOM 378 CD1 LEU A 27 4.018 0.442 0.709 1.00 0.00 C ATOM 379 CD2 LEU A 27 5.043 -0.003 2.946 1.00 0.00 C ATOM 0 H LEU A 27 5.015 -4.198 0.393 1.00 0.00 H new ATOM 0 HA LEU A 27 5.287 -2.866 2.997 1.00 0.00 H new ATOM 0 HB2 LEU A 27 3.428 -2.058 0.742 1.00 0.00 H new ATOM 0 HB3 LEU A 27 3.094 -1.665 2.417 1.00 0.00 H new ATOM 0 HG LEU A 27 5.677 -0.841 1.091 1.00 0.00 H new ATOM 0 HD11 LEU A 27 4.630 1.341 0.627 1.00 0.00 H new ATOM 0 HD12 LEU A 27 3.850 0.026 -0.284 1.00 0.00 H new ATOM 0 HD13 LEU A 27 3.060 0.695 1.163 1.00 0.00 H new ATOM 0 HD21 LEU A 27 5.640 0.902 2.833 1.00 0.00 H new ATOM 0 HD22 LEU A 27 4.111 0.239 3.456 1.00 0.00 H new ATOM 0 HD23 LEU A 27 5.599 -0.734 3.533 1.00 0.00 H new ATOM 391 N LYS A 28 3.636 -4.464 3.890 1.00 0.00 N ATOM 392 CA LYS A 28 2.731 -5.464 4.443 1.00 0.00 C ATOM 393 C LYS A 28 2.055 -4.946 5.709 1.00 0.00 C ATOM 394 O LYS A 28 2.689 -4.297 6.542 1.00 0.00 O ATOM 395 CB LYS A 28 3.492 -6.755 4.751 1.00 0.00 C ATOM 396 CG LYS A 28 2.603 -7.881 5.251 1.00 0.00 C ATOM 397 CD LYS A 28 3.372 -8.848 6.135 1.00 0.00 C ATOM 398 CE LYS A 28 2.747 -10.235 6.119 1.00 0.00 C ATOM 399 NZ LYS A 28 3.123 -11.027 7.323 1.00 0.00 N ATOM 0 H LYS A 28 4.239 -4.014 4.579 1.00 0.00 H new ATOM 0 HA LYS A 28 1.961 -5.671 3.700 1.00 0.00 H new ATOM 0 HB2 LYS A 28 4.010 -7.085 3.851 1.00 0.00 H new ATOM 0 HB3 LYS A 28 4.256 -6.547 5.500 1.00 0.00 H new ATOM 0 HG2 LYS A 28 1.765 -7.464 5.810 1.00 0.00 H new ATOM 0 HG3 LYS A 28 2.183 -8.419 4.401 1.00 0.00 H new ATOM 0 HD2 LYS A 28 4.406 -8.910 5.795 1.00 0.00 H new ATOM 0 HD3 LYS A 28 3.394 -8.469 7.157 1.00 0.00 H new ATOM 0 HE2 LYS A 28 1.662 -10.144 6.069 1.00 0.00 H new ATOM 0 HE3 LYS A 28 3.064 -10.766 5.221 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 2.677 -11.965 7.274 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 4.157 -11.136 7.358 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 2.798 -10.533 8.179 1.00 0.00 H new ATOM 413 N CYS A 29 0.766 -5.237 5.847 1.00 0.00 N ATOM 414 CA CYS A 29 0.004 -4.800 7.012 1.00 0.00 C ATOM 415 C CYS A 29 -0.971 -5.884 7.461 1.00 0.00 C ATOM 416 O CYS A 29 -1.233 -6.838 6.730 1.00 0.00 O ATOM 417 CB CYS A 29 -0.756 -3.512 6.696 1.00 0.00 C ATOM 418 SG CYS A 29 -2.371 -3.777 5.927 1.00 0.00 S ATOM 0 H CYS A 29 0.227 -5.773 5.167 1.00 0.00 H new ATOM 0 HA CYS A 29 0.705 -4.609 7.824 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -0.893 -2.948 7.619 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -0.147 -2.897 6.034 1.00 0.00 H new ATOM 0 HG CYS A 29 -2.937 -2.629 5.700 1.00 0.00 H new ATOM 424 N GLU A 30 -1.503 -5.730 8.670 1.00 0.00 N ATOM 425 CA GLU A 30 -2.447 -6.697 9.217 1.00 0.00 C ATOM 426 C GLU A 30 -3.669 -5.994 9.801 1.00 0.00 C ATOM 427 O GLU A 30 -3.553 -4.937 10.421 1.00 0.00 O ATOM 428 CB GLU A 30 -1.771 -7.549 10.294 1.00 0.00 C ATOM 429 CG GLU A 30 -2.482 -8.864 10.564 1.00 0.00 C ATOM 430 CD GLU A 30 -1.752 -9.725 11.577 1.00 0.00 C ATOM 431 OE1 GLU A 30 -0.619 -10.159 11.278 1.00 0.00 O ATOM 432 OE2 GLU A 30 -2.312 -9.964 12.666 1.00 0.00 O ATOM 0 H GLU A 30 -1.296 -4.946 9.288 1.00 0.00 H new ATOM 0 HA GLU A 30 -2.776 -7.345 8.405 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -0.745 -7.756 9.991 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -1.720 -6.976 11.220 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -3.490 -8.660 10.925 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -2.584 -9.416 9.630 1.00 0.00 H new ATOM 439 N ILE A 31 -4.839 -6.589 9.597 1.00 0.00 N ATOM 440 CA ILE A 31 -6.083 -6.021 10.103 1.00 0.00 C ATOM 441 C ILE A 31 -6.914 -7.074 10.826 1.00 0.00 C ATOM 442 O ILE A 31 -6.723 -8.274 10.628 1.00 0.00 O ATOM 443 CB ILE A 31 -6.925 -5.409 8.968 1.00 0.00 C ATOM 444 CG1 ILE A 31 -6.846 -6.284 7.715 1.00 0.00 C ATOM 445 CG2 ILE A 31 -6.455 -3.994 8.663 1.00 0.00 C ATOM 446 CD1 ILE A 31 -7.885 -5.941 6.671 1.00 0.00 C ATOM 0 H ILE A 31 -4.952 -7.464 9.085 1.00 0.00 H new ATOM 0 HA ILE A 31 -5.808 -5.234 10.805 1.00 0.00 H new ATOM 0 HB ILE A 31 -7.965 -5.364 9.291 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -5.854 -6.185 7.275 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -6.964 -7.329 8.003 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -7.060 -3.575 7.859 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -6.559 -3.376 9.555 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -5.409 -4.016 8.357 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -7.769 -6.601 5.812 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -8.882 -6.068 7.094 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -7.754 -4.906 6.354 1.00 0.00 H new ATOM 458 N SER A 32 -7.839 -6.618 11.665 1.00 0.00 N ATOM 459 CA SER A 32 -8.699 -7.521 12.420 1.00 0.00 C ATOM 460 C SER A 32 -9.799 -8.093 11.531 1.00 0.00 C ATOM 461 O SER A 32 -10.511 -9.017 11.925 1.00 0.00 O ATOM 462 CB SER A 32 -9.320 -6.790 13.612 1.00 0.00 C ATOM 463 OG SER A 32 -9.945 -5.586 13.203 1.00 0.00 O ATOM 0 H SER A 32 -8.012 -5.628 11.839 1.00 0.00 H new ATOM 0 HA SER A 32 -8.087 -8.345 12.787 1.00 0.00 H new ATOM 0 HB2 SER A 32 -10.051 -7.436 14.098 1.00 0.00 H new ATOM 0 HB3 SER A 32 -8.548 -6.570 14.350 1.00 0.00 H new ATOM 0 HG SER A 32 -10.912 -5.728 13.128 1.00 0.00 H new ATOM 469 N GLU A 33 -9.931 -7.538 10.331 1.00 0.00 N ATOM 470 CA GLU A 33 -10.944 -7.992 9.386 1.00 0.00 C ATOM 471 C GLU A 33 -10.298 -8.632 8.161 1.00 0.00 C ATOM 472 O GLU A 33 -9.172 -8.298 7.795 1.00 0.00 O ATOM 473 CB GLU A 33 -11.833 -6.823 8.956 1.00 0.00 C ATOM 474 CG GLU A 33 -13.057 -7.249 8.163 1.00 0.00 C ATOM 475 CD GLU A 33 -14.211 -7.671 9.052 1.00 0.00 C ATOM 476 OE1 GLU A 33 -14.282 -7.185 10.200 1.00 0.00 O ATOM 477 OE2 GLU A 33 -15.041 -8.486 8.599 1.00 0.00 O ATOM 0 H GLU A 33 -9.349 -6.773 9.990 1.00 0.00 H new ATOM 0 HA GLU A 33 -11.558 -8.742 9.884 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -12.157 -6.278 9.843 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -11.243 -6.131 8.354 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -13.377 -6.425 7.525 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -12.789 -8.076 7.505 1.00 0.00 H new ATOM 484 N ASN A 34 -11.020 -9.554 7.532 1.00 0.00 N ATOM 485 CA ASN A 34 -10.517 -10.242 6.349 1.00 0.00 C ATOM 486 C ASN A 34 -11.352 -9.893 5.121 1.00 0.00 C ATOM 487 O ASN A 34 -12.122 -10.717 4.626 1.00 0.00 O ATOM 488 CB ASN A 34 -10.525 -11.756 6.571 1.00 0.00 C ATOM 489 CG ASN A 34 -11.909 -12.285 6.896 1.00 0.00 C ATOM 490 OD1 ASN A 34 -12.761 -11.556 7.405 1.00 0.00 O ATOM 491 ND2 ASN A 34 -12.138 -13.559 6.603 1.00 0.00 N ATOM 0 H ASN A 34 -11.955 -9.842 7.822 1.00 0.00 H new ATOM 0 HA ASN A 34 -9.492 -9.912 6.176 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -10.149 -12.254 5.677 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -9.843 -12.005 7.384 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -13.050 -13.971 6.799 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -11.402 -14.126 6.182 1.00 0.00 H new ATOM 498 N ILE A 35 -11.194 -8.666 4.634 1.00 0.00 N ATOM 499 CA ILE A 35 -11.932 -8.209 3.463 1.00 0.00 C ATOM 500 C ILE A 35 -11.004 -7.539 2.456 1.00 0.00 C ATOM 501 O ILE A 35 -9.981 -6.952 2.810 1.00 0.00 O ATOM 502 CB ILE A 35 -13.049 -7.222 3.851 1.00 0.00 C ATOM 503 CG1 ILE A 35 -12.455 -5.993 4.544 1.00 0.00 C ATOM 504 CG2 ILE A 35 -14.068 -7.903 4.752 1.00 0.00 C ATOM 505 CD1 ILE A 35 -12.093 -4.877 3.589 1.00 0.00 C ATOM 0 H ILE A 35 -10.562 -7.971 5.032 1.00 0.00 H new ATOM 0 HA ILE A 35 -12.381 -9.092 3.008 1.00 0.00 H new ATOM 0 HB ILE A 35 -13.556 -6.895 2.943 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -13.171 -5.617 5.275 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -11.563 -6.292 5.095 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -14.851 -7.193 5.018 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -14.509 -8.750 4.227 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -13.575 -8.255 5.658 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -11.678 -4.039 4.149 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -11.354 -5.236 2.873 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -12.986 -4.550 3.056 1.00 0.00 H new ATOM 517 N PRO A 36 -11.368 -7.625 1.167 1.00 0.00 N ATOM 518 CA PRO A 36 -10.583 -7.030 0.082 1.00 0.00 C ATOM 519 C PRO A 36 -10.634 -5.506 0.096 1.00 0.00 C ATOM 520 O PRO A 36 -11.669 -4.913 0.399 1.00 0.00 O ATOM 521 CB PRO A 36 -11.254 -7.576 -1.181 1.00 0.00 C ATOM 522 CG PRO A 36 -12.653 -7.878 -0.767 1.00 0.00 C ATOM 523 CD PRO A 36 -12.575 -8.308 0.672 1.00 0.00 C ATOM 0 HA PRO A 36 -9.525 -7.279 0.161 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -11.229 -6.845 -1.990 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -10.747 -8.470 -1.544 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -13.291 -7.001 -0.878 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -13.082 -8.665 -1.387 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -13.463 -8.009 1.229 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -12.490 -9.391 0.764 1.00 0.00 H new ATOM 531 N GLY A 37 -9.510 -4.878 -0.234 1.00 0.00 N ATOM 532 CA GLY A 37 -9.449 -3.428 -0.253 1.00 0.00 C ATOM 533 C GLY A 37 -8.553 -2.899 -1.355 1.00 0.00 C ATOM 534 O GLY A 37 -7.889 -3.670 -2.049 1.00 0.00 O ATOM 0 H GLY A 37 -8.641 -5.347 -0.488 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -10.454 -3.027 -0.383 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -9.085 -3.070 0.710 1.00 0.00 H new ATOM 538 N LYS A 38 -8.534 -1.581 -1.519 1.00 0.00 N ATOM 539 CA LYS A 38 -7.713 -0.949 -2.545 1.00 0.00 C ATOM 540 C LYS A 38 -6.850 0.157 -1.946 1.00 0.00 C ATOM 541 O LYS A 38 -7.265 0.845 -1.014 1.00 0.00 O ATOM 542 CB LYS A 38 -8.599 -0.375 -3.653 1.00 0.00 C ATOM 543 CG LYS A 38 -9.170 -1.431 -4.584 1.00 0.00 C ATOM 544 CD LYS A 38 -8.134 -1.910 -5.586 1.00 0.00 C ATOM 545 CE LYS A 38 -8.643 -3.098 -6.389 1.00 0.00 C ATOM 546 NZ LYS A 38 -9.872 -2.761 -7.160 1.00 0.00 N ATOM 0 H LYS A 38 -9.078 -0.929 -0.954 1.00 0.00 H new ATOM 0 HA LYS A 38 -7.056 -1.709 -2.969 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -9.420 0.180 -3.199 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -8.018 0.338 -4.238 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -9.530 -2.277 -3.999 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -10.030 -1.022 -5.115 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -7.877 -1.095 -6.263 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -7.220 -2.189 -5.061 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -7.865 -3.433 -7.075 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -8.853 -3.928 -5.715 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -10.129 -3.562 -7.771 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -10.652 -2.564 -6.501 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -9.694 -1.921 -7.747 1.00 0.00 H new ATOM 560 N TRP A 39 -5.648 0.321 -2.488 1.00 0.00 N ATOM 561 CA TRP A 39 -4.727 1.344 -2.007 1.00 0.00 C ATOM 562 C TRP A 39 -4.970 2.672 -2.716 1.00 0.00 C ATOM 563 O TRP A 39 -5.671 2.729 -3.727 1.00 0.00 O ATOM 564 CB TRP A 39 -3.280 0.897 -2.219 1.00 0.00 C ATOM 565 CG TRP A 39 -2.955 -0.403 -1.546 1.00 0.00 C ATOM 566 CD1 TRP A 39 -3.603 -1.594 -1.709 1.00 0.00 C ATOM 567 CD2 TRP A 39 -1.905 -0.641 -0.604 1.00 0.00 C ATOM 568 NE1 TRP A 39 -3.019 -2.558 -0.924 1.00 0.00 N ATOM 569 CE2 TRP A 39 -1.974 -1.999 -0.237 1.00 0.00 C ATOM 570 CE3 TRP A 39 -0.911 0.160 -0.035 1.00 0.00 C ATOM 571 CZ2 TRP A 39 -1.088 -2.570 0.673 1.00 0.00 C ATOM 572 CZ3 TRP A 39 -0.033 -0.408 0.868 1.00 0.00 C ATOM 573 CH2 TRP A 39 -0.125 -1.763 1.214 1.00 0.00 C ATOM 0 H TRP A 39 -5.289 -0.241 -3.260 1.00 0.00 H new ATOM 0 HA TRP A 39 -4.904 1.485 -0.941 1.00 0.00 H new ATOM 0 HB2 TRP A 39 -3.090 0.802 -3.288 1.00 0.00 H new ATOM 0 HB3 TRP A 39 -2.610 1.670 -1.843 1.00 0.00 H new ATOM 0 HD1 TRP A 39 -4.450 -1.754 -2.359 1.00 0.00 H new ATOM 0 HE1 TRP A 39 -3.315 -3.532 -0.863 1.00 0.00 H new ATOM 0 HE3 TRP A 39 -0.831 1.205 -0.297 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 -1.159 -3.614 0.942 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 0.738 0.203 1.315 1.00 0.00 H new ATOM 0 HH2 TRP A 39 0.578 -2.178 1.921 1.00 0.00 H new ATOM 584 N THR A 40 -4.387 3.740 -2.180 1.00 0.00 N ATOM 585 CA THR A 40 -4.542 5.068 -2.761 1.00 0.00 C ATOM 586 C THR A 40 -3.302 5.921 -2.521 1.00 0.00 C ATOM 587 O THR A 40 -2.802 6.007 -1.399 1.00 0.00 O ATOM 588 CB THR A 40 -5.771 5.794 -2.183 1.00 0.00 C ATOM 589 OG1 THR A 40 -5.752 5.727 -0.753 1.00 0.00 O ATOM 590 CG2 THR A 40 -7.059 5.179 -2.708 1.00 0.00 C ATOM 0 H THR A 40 -3.803 3.711 -1.344 1.00 0.00 H new ATOM 0 HA THR A 40 -4.682 4.930 -3.833 1.00 0.00 H new ATOM 0 HB THR A 40 -5.731 6.837 -2.498 1.00 0.00 H new ATOM 0 HG1 THR A 40 -5.080 5.074 -0.465 1.00 0.00 H new ATOM 0 HG21 THR A 40 -7.913 5.708 -2.286 1.00 0.00 H new ATOM 0 HG22 THR A 40 -7.084 5.259 -3.795 1.00 0.00 H new ATOM 0 HG23 THR A 40 -7.105 4.129 -2.420 1.00 0.00 H new ATOM 598 N LYS A 41 -2.808 6.551 -3.582 1.00 0.00 N ATOM 599 CA LYS A 41 -1.627 7.400 -3.487 1.00 0.00 C ATOM 600 C LYS A 41 -1.989 8.864 -3.714 1.00 0.00 C ATOM 601 O LYS A 41 -2.873 9.178 -4.510 1.00 0.00 O ATOM 602 CB LYS A 41 -0.574 6.960 -4.507 1.00 0.00 C ATOM 603 CG LYS A 41 0.575 7.942 -4.656 1.00 0.00 C ATOM 604 CD LYS A 41 1.832 7.256 -5.165 1.00 0.00 C ATOM 605 CE LYS A 41 3.080 8.057 -4.826 1.00 0.00 C ATOM 606 NZ LYS A 41 3.596 7.731 -3.468 1.00 0.00 N ATOM 0 H LYS A 41 -3.208 6.489 -4.518 1.00 0.00 H new ATOM 0 HA LYS A 41 -1.217 7.297 -2.482 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -0.176 5.990 -4.210 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -1.053 6.825 -5.476 1.00 0.00 H new ATOM 0 HG2 LYS A 41 0.289 8.737 -5.345 1.00 0.00 H new ATOM 0 HG3 LYS A 41 0.780 8.412 -3.694 1.00 0.00 H new ATOM 0 HD2 LYS A 41 1.907 6.261 -4.727 1.00 0.00 H new ATOM 0 HD3 LYS A 41 1.765 7.125 -6.245 1.00 0.00 H new ATOM 0 HE2 LYS A 41 3.854 7.855 -5.567 1.00 0.00 H new ATOM 0 HE3 LYS A 41 2.855 9.122 -4.883 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 3.472 8.553 -2.843 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 3.071 6.920 -3.083 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 4.606 7.492 -3.529 1.00 0.00 H new ATOM 620 N ASN A 42 -1.300 9.756 -3.010 1.00 0.00 N ATOM 621 CA ASN A 42 -1.549 11.188 -3.136 1.00 0.00 C ATOM 622 C ASN A 42 -3.043 11.471 -3.259 1.00 0.00 C ATOM 623 O ASN A 42 -3.459 12.350 -4.012 1.00 0.00 O ATOM 624 CB ASN A 42 -0.810 11.750 -4.352 1.00 0.00 C ATOM 625 CG ASN A 42 0.611 12.164 -4.024 1.00 0.00 C ATOM 626 OD1 ASN A 42 0.837 13.164 -3.343 1.00 0.00 O ATOM 627 ND2 ASN A 42 1.578 11.393 -4.508 1.00 0.00 N ATOM 0 H ASN A 42 -0.565 9.513 -2.346 1.00 0.00 H new ATOM 0 HA ASN A 42 -1.177 11.677 -2.236 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -0.794 11.000 -5.143 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -1.356 12.610 -4.740 1.00 0.00 H new ATOM 0 HD21 ASN A 42 2.554 11.621 -4.320 1.00 0.00 H new ATOM 0 HD22 ASN A 42 1.344 10.573 -5.068 1.00 0.00 H new ATOM 634 N GLY A 43 -3.846 10.719 -2.512 1.00 0.00 N ATOM 635 CA GLY A 43 -5.285 10.904 -2.551 1.00 0.00 C ATOM 636 C GLY A 43 -5.882 10.524 -3.892 1.00 0.00 C ATOM 637 O GLY A 43 -6.757 11.219 -4.410 1.00 0.00 O ATOM 0 H GLY A 43 -3.525 9.985 -1.880 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -5.747 10.303 -1.768 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -5.520 11.946 -2.334 1.00 0.00 H new ATOM 641 N LEU A 44 -5.408 9.419 -4.457 1.00 0.00 N ATOM 642 CA LEU A 44 -5.900 8.948 -5.747 1.00 0.00 C ATOM 643 C LEU A 44 -5.914 7.424 -5.800 1.00 0.00 C ATOM 644 O LEU A 44 -5.119 6.747 -5.147 1.00 0.00 O ATOM 645 CB LEU A 44 -5.032 9.501 -6.878 1.00 0.00 C ATOM 646 CG LEU A 44 -4.988 11.024 -7.008 1.00 0.00 C ATOM 647 CD1 LEU A 44 -3.895 11.447 -7.977 1.00 0.00 C ATOM 648 CD2 LEU A 44 -6.339 11.559 -7.460 1.00 0.00 C ATOM 0 H LEU A 44 -4.684 8.833 -4.042 1.00 0.00 H new ATOM 0 HA LEU A 44 -6.921 9.307 -5.872 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -4.014 9.139 -6.737 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -5.391 9.086 -7.820 1.00 0.00 H new ATOM 0 HG LEU A 44 -4.760 11.446 -6.029 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -3.880 12.534 -8.056 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -2.930 11.096 -7.612 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -4.091 11.015 -8.958 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -6.290 12.644 -7.547 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -6.596 11.128 -8.428 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -7.101 11.288 -6.729 1.00 0.00 H new ATOM 660 N PRO A 45 -6.837 6.868 -6.599 1.00 0.00 N ATOM 661 CA PRO A 45 -6.976 5.417 -6.760 1.00 0.00 C ATOM 662 C PRO A 45 -5.806 4.804 -7.521 1.00 0.00 C ATOM 663 O PRO A 45 -5.566 5.136 -8.682 1.00 0.00 O ATOM 664 CB PRO A 45 -8.271 5.271 -7.561 1.00 0.00 C ATOM 665 CG PRO A 45 -8.406 6.557 -8.301 1.00 0.00 C ATOM 666 CD PRO A 45 -7.817 7.613 -7.408 1.00 0.00 C ATOM 0 HA PRO A 45 -6.993 4.900 -5.800 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -8.220 4.424 -8.245 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -9.125 5.100 -6.905 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -7.880 6.515 -9.255 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -9.451 6.772 -8.522 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -7.342 8.407 -7.984 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -8.578 8.083 -6.785 1.00 0.00 H new ATOM 674 N VAL A 46 -5.080 3.907 -6.861 1.00 0.00 N ATOM 675 CA VAL A 46 -3.936 3.246 -7.477 1.00 0.00 C ATOM 676 C VAL A 46 -4.384 2.241 -8.532 1.00 0.00 C ATOM 677 O VAL A 46 -5.246 1.401 -8.275 1.00 0.00 O ATOM 678 CB VAL A 46 -3.074 2.522 -6.426 1.00 0.00 C ATOM 679 CG1 VAL A 46 -1.890 1.834 -7.089 1.00 0.00 C ATOM 680 CG2 VAL A 46 -2.605 3.498 -5.358 1.00 0.00 C ATOM 0 H VAL A 46 -5.264 3.621 -5.899 1.00 0.00 H new ATOM 0 HA VAL A 46 -3.339 4.024 -7.952 1.00 0.00 H new ATOM 0 HB VAL A 46 -3.684 1.758 -5.944 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -1.292 1.328 -6.331 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -2.252 1.104 -7.813 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -1.276 2.577 -7.599 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -1.997 2.969 -4.624 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -2.011 4.286 -5.821 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -3.470 3.939 -4.863 1.00 0.00 H new ATOM 690 N GLN A 47 -3.793 2.332 -9.718 1.00 0.00 N ATOM 691 CA GLN A 47 -4.132 1.430 -10.812 1.00 0.00 C ATOM 692 C GLN A 47 -3.131 0.283 -10.902 1.00 0.00 C ATOM 693 O GLN A 47 -1.920 0.501 -10.877 1.00 0.00 O ATOM 694 CB GLN A 47 -4.171 2.193 -12.137 1.00 0.00 C ATOM 695 CG GLN A 47 -4.372 1.298 -13.349 1.00 0.00 C ATOM 696 CD GLN A 47 -4.793 2.071 -14.583 1.00 0.00 C ATOM 697 OE1 GLN A 47 -3.955 2.606 -15.310 1.00 0.00 O ATOM 698 NE2 GLN A 47 -6.097 2.135 -14.826 1.00 0.00 N ATOM 0 H GLN A 47 -3.077 3.021 -9.946 1.00 0.00 H new ATOM 0 HA GLN A 47 -5.119 1.012 -10.612 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -4.976 2.927 -12.100 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -3.240 2.747 -12.255 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -3.445 0.763 -13.559 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -5.128 0.547 -13.120 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -6.756 1.677 -14.197 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -6.439 2.642 -15.642 1.00 0.00 H new ATOM 707 N GLU A 48 -3.646 -0.939 -11.005 1.00 0.00 N ATOM 708 CA GLU A 48 -2.796 -2.120 -11.096 1.00 0.00 C ATOM 709 C GLU A 48 -2.041 -2.146 -12.423 1.00 0.00 C ATOM 710 O GLU A 48 -2.454 -1.515 -13.396 1.00 0.00 O ATOM 711 CB GLU A 48 -3.634 -3.391 -10.949 1.00 0.00 C ATOM 712 CG GLU A 48 -4.009 -3.710 -9.512 1.00 0.00 C ATOM 713 CD GLU A 48 -5.072 -4.787 -9.411 1.00 0.00 C ATOM 714 OE1 GLU A 48 -4.884 -5.865 -10.012 1.00 0.00 O ATOM 715 OE2 GLU A 48 -6.092 -4.551 -8.730 1.00 0.00 O ATOM 0 H GLU A 48 -4.647 -1.136 -11.027 1.00 0.00 H new ATOM 0 HA GLU A 48 -2.069 -2.077 -10.285 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -4.545 -3.286 -11.538 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -3.080 -4.232 -11.366 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -3.119 -4.032 -8.971 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -4.368 -2.804 -9.025 1.00 0.00 H new ATOM 722 N SER A 49 -0.933 -2.879 -12.452 1.00 0.00 N ATOM 723 CA SER A 49 -0.118 -2.983 -13.657 1.00 0.00 C ATOM 724 C SER A 49 0.926 -4.086 -13.512 1.00 0.00 C ATOM 725 O SER A 49 1.177 -4.578 -12.411 1.00 0.00 O ATOM 726 CB SER A 49 0.571 -1.649 -13.950 1.00 0.00 C ATOM 727 OG SER A 49 0.803 -1.490 -15.339 1.00 0.00 O ATOM 0 H SER A 49 -0.579 -3.409 -11.656 1.00 0.00 H new ATOM 0 HA SER A 49 -0.775 -3.234 -14.490 1.00 0.00 H new ATOM 0 HB2 SER A 49 -0.047 -0.829 -13.585 1.00 0.00 H new ATOM 0 HB3 SER A 49 1.518 -1.599 -13.412 1.00 0.00 H new ATOM 0 HG SER A 49 1.243 -0.629 -15.501 1.00 0.00 H new ATOM 733 N ASP A 50 1.532 -4.470 -14.630 1.00 0.00 N ATOM 734 CA ASP A 50 2.550 -5.514 -14.630 1.00 0.00 C ATOM 735 C ASP A 50 3.644 -5.205 -13.612 1.00 0.00 C ATOM 736 O ASP A 50 4.287 -6.112 -13.084 1.00 0.00 O ATOM 737 CB ASP A 50 3.160 -5.662 -16.024 1.00 0.00 C ATOM 738 CG ASP A 50 2.116 -5.602 -17.122 1.00 0.00 C ATOM 739 OD1 ASP A 50 1.524 -6.655 -17.438 1.00 0.00 O ATOM 740 OD2 ASP A 50 1.891 -4.500 -17.666 1.00 0.00 O ATOM 0 H ASP A 50 1.336 -4.073 -15.549 1.00 0.00 H new ATOM 0 HA ASP A 50 2.073 -6.453 -14.350 1.00 0.00 H new ATOM 0 HB2 ASP A 50 3.895 -4.872 -16.182 1.00 0.00 H new ATOM 0 HB3 ASP A 50 3.693 -6.611 -16.085 1.00 0.00 H new ATOM 745 N ARG A 51 3.850 -3.920 -13.344 1.00 0.00 N ATOM 746 CA ARG A 51 4.867 -3.492 -12.392 1.00 0.00 C ATOM 747 C ARG A 51 4.277 -3.349 -10.992 1.00 0.00 C ATOM 748 O ARG A 51 4.999 -3.390 -9.995 1.00 0.00 O ATOM 749 CB ARG A 51 5.484 -2.163 -12.835 1.00 0.00 C ATOM 750 CG ARG A 51 4.581 -0.964 -12.598 1.00 0.00 C ATOM 751 CD ARG A 51 4.969 0.209 -13.484 1.00 0.00 C ATOM 752 NE ARG A 51 6.417 0.345 -13.609 1.00 0.00 N ATOM 753 CZ ARG A 51 7.010 1.031 -14.580 1.00 0.00 C ATOM 754 NH1 ARG A 51 6.282 1.641 -15.506 1.00 0.00 N ATOM 755 NH2 ARG A 51 8.334 1.109 -14.627 1.00 0.00 N ATOM 0 H ARG A 51 3.326 -3.157 -13.773 1.00 0.00 H new ATOM 0 HA ARG A 51 5.645 -4.255 -12.363 1.00 0.00 H new ATOM 0 HB2 ARG A 51 6.422 -2.012 -12.301 1.00 0.00 H new ATOM 0 HB3 ARG A 51 5.727 -2.220 -13.896 1.00 0.00 H new ATOM 0 HG2 ARG A 51 3.546 -1.243 -12.794 1.00 0.00 H new ATOM 0 HG3 ARG A 51 4.638 -0.665 -11.551 1.00 0.00 H new ATOM 0 HD2 ARG A 51 4.531 0.077 -14.473 1.00 0.00 H new ATOM 0 HD3 ARG A 51 4.553 1.128 -13.071 1.00 0.00 H new ATOM 0 HE ARG A 51 7.006 -0.112 -12.913 1.00 0.00 H new ATOM 0 HH11 ARG A 51 5.264 1.584 -15.474 1.00 0.00 H new ATOM 0 HH12 ARG A 51 6.740 2.167 -16.250 1.00 0.00 H new ATOM 0 HH21 ARG A 51 8.898 0.642 -13.917 1.00 0.00 H new ATOM 0 HH22 ARG A 51 8.788 1.636 -15.373 1.00 0.00 H new ATOM 769 N LEU A 52 2.961 -3.180 -10.926 1.00 0.00 N ATOM 770 CA LEU A 52 2.273 -3.031 -9.648 1.00 0.00 C ATOM 771 C LEU A 52 1.375 -4.232 -9.369 1.00 0.00 C ATOM 772 O LEU A 52 0.387 -4.458 -10.069 1.00 0.00 O ATOM 773 CB LEU A 52 1.443 -1.746 -9.641 1.00 0.00 C ATOM 774 CG LEU A 52 1.188 -1.119 -8.270 1.00 0.00 C ATOM 775 CD1 LEU A 52 0.881 0.363 -8.409 1.00 0.00 C ATOM 776 CD2 LEU A 52 0.050 -1.837 -7.558 1.00 0.00 C ATOM 0 H LEU A 52 2.349 -3.143 -11.741 1.00 0.00 H new ATOM 0 HA LEU A 52 3.026 -2.975 -8.862 1.00 0.00 H new ATOM 0 HB2 LEU A 52 1.946 -1.009 -10.267 1.00 0.00 H new ATOM 0 HB3 LEU A 52 0.480 -1.957 -10.107 1.00 0.00 H new ATOM 0 HG LEU A 52 2.091 -1.227 -7.669 1.00 0.00 H new ATOM 0 HD11 LEU A 52 0.702 0.792 -7.423 1.00 0.00 H new ATOM 0 HD12 LEU A 52 1.727 0.868 -8.876 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -0.007 0.494 -9.028 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -0.117 -1.377 -6.584 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -0.858 -1.762 -8.156 1.00 0.00 H new ATOM 0 HD23 LEU A 52 0.310 -2.887 -7.424 1.00 0.00 H new ATOM 788 N LYS A 53 1.723 -4.999 -8.342 1.00 0.00 N ATOM 789 CA LYS A 53 0.947 -6.175 -7.967 1.00 0.00 C ATOM 790 C LYS A 53 0.428 -6.052 -6.538 1.00 0.00 C ATOM 791 O LYS A 53 1.194 -5.796 -5.608 1.00 0.00 O ATOM 792 CB LYS A 53 1.800 -7.438 -8.104 1.00 0.00 C ATOM 793 CG LYS A 53 0.991 -8.724 -8.073 1.00 0.00 C ATOM 794 CD LYS A 53 0.464 -9.085 -9.451 1.00 0.00 C ATOM 795 CE LYS A 53 1.523 -9.787 -10.287 1.00 0.00 C ATOM 796 NZ LYS A 53 1.236 -9.688 -11.745 1.00 0.00 N ATOM 0 H LYS A 53 2.538 -4.827 -7.754 1.00 0.00 H new ATOM 0 HA LYS A 53 0.092 -6.246 -8.640 1.00 0.00 H new ATOM 0 HB2 LYS A 53 2.356 -7.391 -9.040 1.00 0.00 H new ATOM 0 HB3 LYS A 53 2.533 -7.460 -7.298 1.00 0.00 H new ATOM 0 HG2 LYS A 53 1.612 -9.536 -7.696 1.00 0.00 H new ATOM 0 HG3 LYS A 53 0.156 -8.613 -7.381 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -0.408 -9.731 -9.350 1.00 0.00 H new ATOM 0 HD3 LYS A 53 0.134 -8.181 -9.964 1.00 0.00 H new ATOM 0 HE2 LYS A 53 2.499 -9.349 -10.079 1.00 0.00 H new ATOM 0 HE3 LYS A 53 1.577 -10.837 -9.998 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 1.981 -10.179 -12.280 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 0.316 -10.129 -11.948 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 1.210 -8.687 -12.027 1.00 0.00 H new ATOM 810 N VAL A 54 -0.878 -6.237 -6.369 1.00 0.00 N ATOM 811 CA VAL A 54 -1.498 -6.149 -5.053 1.00 0.00 C ATOM 812 C VAL A 54 -2.061 -7.498 -4.620 1.00 0.00 C ATOM 813 O VAL A 54 -3.131 -7.910 -5.068 1.00 0.00 O ATOM 814 CB VAL A 54 -2.630 -5.104 -5.034 1.00 0.00 C ATOM 815 CG1 VAL A 54 -3.257 -5.020 -3.651 1.00 0.00 C ATOM 816 CG2 VAL A 54 -2.106 -3.745 -5.475 1.00 0.00 C ATOM 0 H VAL A 54 -1.526 -6.449 -7.127 1.00 0.00 H new ATOM 0 HA VAL A 54 -0.718 -5.842 -4.356 1.00 0.00 H new ATOM 0 HB VAL A 54 -3.402 -5.417 -5.737 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -4.054 -4.277 -3.658 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -3.669 -5.992 -3.379 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -2.498 -4.731 -2.924 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -2.918 -3.018 -5.456 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -1.315 -3.423 -4.798 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -1.709 -3.819 -6.487 1.00 0.00 H new ATOM 826 N VAL A 55 -1.333 -8.183 -3.743 1.00 0.00 N ATOM 827 CA VAL A 55 -1.759 -9.486 -3.247 1.00 0.00 C ATOM 828 C VAL A 55 -2.339 -9.376 -1.841 1.00 0.00 C ATOM 829 O VAL A 55 -1.841 -8.616 -1.012 1.00 0.00 O ATOM 830 CB VAL A 55 -0.592 -10.490 -3.231 1.00 0.00 C ATOM 831 CG1 VAL A 55 -1.067 -11.854 -2.753 1.00 0.00 C ATOM 832 CG2 VAL A 55 0.043 -10.591 -4.610 1.00 0.00 C ATOM 0 H VAL A 55 -0.445 -7.857 -3.362 1.00 0.00 H new ATOM 0 HA VAL A 55 -2.530 -9.847 -3.928 1.00 0.00 H new ATOM 0 HB VAL A 55 0.164 -10.130 -2.533 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -0.228 -12.550 -2.748 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -1.471 -11.766 -1.744 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -1.843 -12.225 -3.423 1.00 0.00 H new ATOM 0 HG21 VAL A 55 0.866 -11.305 -4.580 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -0.703 -10.927 -5.330 1.00 0.00 H new ATOM 0 HG23 VAL A 55 0.421 -9.613 -4.909 1.00 0.00 H new ATOM 842 N GLN A 56 -3.396 -10.140 -1.581 1.00 0.00 N ATOM 843 CA GLN A 56 -4.044 -10.127 -0.275 1.00 0.00 C ATOM 844 C GLN A 56 -4.124 -11.535 0.306 1.00 0.00 C ATOM 845 O GLN A 56 -4.496 -12.484 -0.385 1.00 0.00 O ATOM 846 CB GLN A 56 -5.447 -9.527 -0.385 1.00 0.00 C ATOM 847 CG GLN A 56 -6.073 -9.195 0.960 1.00 0.00 C ATOM 848 CD GLN A 56 -7.586 -9.283 0.937 1.00 0.00 C ATOM 849 OE1 GLN A 56 -8.193 -9.460 -0.119 1.00 0.00 O ATOM 850 NE2 GLN A 56 -8.204 -9.160 2.106 1.00 0.00 N ATOM 0 H GLN A 56 -3.821 -10.775 -2.257 1.00 0.00 H new ATOM 0 HA GLN A 56 -3.445 -9.511 0.395 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -5.399 -8.620 -0.988 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -6.093 -10.228 -0.914 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -5.685 -9.878 1.716 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -5.776 -8.189 1.256 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -7.661 -9.014 2.957 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -9.222 -9.211 2.153 1.00 0.00 H new ATOM 859 N LYS A 57 -3.772 -11.664 1.581 1.00 0.00 N ATOM 860 CA LYS A 57 -3.805 -12.955 2.257 1.00 0.00 C ATOM 861 C LYS A 57 -4.650 -12.885 3.525 1.00 0.00 C ATOM 862 O LYS A 57 -4.222 -12.333 4.538 1.00 0.00 O ATOM 863 CB LYS A 57 -2.385 -13.409 2.603 1.00 0.00 C ATOM 864 CG LYS A 57 -1.718 -14.214 1.501 1.00 0.00 C ATOM 865 CD LYS A 57 -2.330 -15.599 1.373 1.00 0.00 C ATOM 866 CE LYS A 57 -1.747 -16.562 2.397 1.00 0.00 C ATOM 867 NZ LYS A 57 -2.634 -17.736 2.622 1.00 0.00 N ATOM 0 H LYS A 57 -3.460 -10.889 2.167 1.00 0.00 H new ATOM 0 HA LYS A 57 -4.257 -13.679 1.580 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -1.775 -12.532 2.821 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -2.416 -14.009 3.512 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -1.814 -13.684 0.553 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -0.652 -14.304 1.710 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -3.410 -15.535 1.506 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -2.155 -15.984 0.368 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -0.770 -16.905 2.058 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -1.591 -16.039 3.340 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -2.202 -18.368 3.326 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -3.559 -17.411 2.970 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -2.762 -18.251 1.727 1.00 0.00 H new ATOM 881 N GLY A 58 -5.853 -13.448 3.461 1.00 0.00 N ATOM 882 CA GLY A 58 -6.738 -13.439 4.611 1.00 0.00 C ATOM 883 C GLY A 58 -7.037 -12.036 5.101 1.00 0.00 C ATOM 884 O GLY A 58 -7.945 -11.375 4.597 1.00 0.00 O ATOM 0 H GLY A 58 -6.230 -13.910 2.633 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -7.672 -13.936 4.351 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -6.285 -14.014 5.419 1.00 0.00 H new ATOM 888 N ARG A 59 -6.273 -11.581 6.089 1.00 0.00 N ATOM 889 CA ARG A 59 -6.463 -10.248 6.650 1.00 0.00 C ATOM 890 C ARG A 59 -5.187 -9.420 6.528 1.00 0.00 C ATOM 891 O ARG A 59 -5.003 -8.436 7.245 1.00 0.00 O ATOM 892 CB ARG A 59 -6.883 -10.345 8.117 1.00 0.00 C ATOM 893 CG ARG A 59 -6.093 -11.373 8.911 1.00 0.00 C ATOM 894 CD ARG A 59 -6.764 -11.688 10.238 1.00 0.00 C ATOM 895 NE ARG A 59 -7.804 -12.703 10.098 1.00 0.00 N ATOM 896 CZ ARG A 59 -7.551 -13.994 9.915 1.00 0.00 C ATOM 897 NH1 ARG A 59 -6.298 -14.425 9.850 1.00 0.00 N ATOM 898 NH2 ARG A 59 -8.551 -14.858 9.796 1.00 0.00 N ATOM 0 H ARG A 59 -5.517 -12.115 6.517 1.00 0.00 H new ATOM 0 HA ARG A 59 -7.252 -9.752 6.085 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -6.765 -9.368 8.585 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -7.943 -10.596 8.167 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -5.993 -12.288 8.326 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -5.085 -10.999 9.091 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -6.014 -12.033 10.950 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -7.199 -10.777 10.649 1.00 0.00 H new ATOM 0 HE ARG A 59 -8.778 -12.404 10.143 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -5.526 -13.764 9.941 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -6.107 -15.417 9.709 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -9.516 -14.531 9.845 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -8.355 -15.849 9.655 1.00 0.00 H new ATOM 912 N ILE A 60 -4.309 -9.826 5.616 1.00 0.00 N ATOM 913 CA ILE A 60 -3.052 -9.121 5.400 1.00 0.00 C ATOM 914 C ILE A 60 -2.970 -8.565 3.983 1.00 0.00 C ATOM 915 O ILE A 60 -3.236 -9.271 3.010 1.00 0.00 O ATOM 916 CB ILE A 60 -1.842 -10.041 5.650 1.00 0.00 C ATOM 917 CG1 ILE A 60 -1.938 -10.683 7.035 1.00 0.00 C ATOM 918 CG2 ILE A 60 -0.544 -9.257 5.513 1.00 0.00 C ATOM 919 CD1 ILE A 60 -2.756 -11.956 7.055 1.00 0.00 C ATOM 0 H ILE A 60 -4.445 -10.639 5.015 1.00 0.00 H new ATOM 0 HA ILE A 60 -3.025 -8.297 6.113 1.00 0.00 H new ATOM 0 HB ILE A 60 -1.847 -10.834 4.902 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -0.933 -10.901 7.396 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -2.378 -9.967 7.729 1.00 0.00 H new ATOM 0 HG21 ILE A 60 0.302 -9.920 5.692 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -0.474 -8.843 4.507 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -0.530 -8.446 6.241 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -2.781 -12.356 8.069 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -3.772 -11.741 6.724 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -2.305 -12.689 6.387 1.00 0.00 H new ATOM 931 N HIS A 61 -2.597 -7.293 3.873 1.00 0.00 N ATOM 932 CA HIS A 61 -2.477 -6.642 2.574 1.00 0.00 C ATOM 933 C HIS A 61 -1.013 -6.521 2.160 1.00 0.00 C ATOM 934 O HIS A 61 -0.188 -5.990 2.903 1.00 0.00 O ATOM 935 CB HIS A 61 -3.123 -5.257 2.613 1.00 0.00 C ATOM 936 CG HIS A 61 -4.612 -5.286 2.448 1.00 0.00 C ATOM 937 ND1 HIS A 61 -5.246 -4.934 1.275 1.00 0.00 N ATOM 938 CD2 HIS A 61 -5.592 -5.629 3.316 1.00 0.00 C ATOM 939 CE1 HIS A 61 -6.552 -5.058 1.429 1.00 0.00 C ATOM 940 NE2 HIS A 61 -6.788 -5.479 2.659 1.00 0.00 N ATOM 0 H HIS A 61 -2.373 -6.694 4.668 1.00 0.00 H new ATOM 0 HA HIS A 61 -2.995 -7.257 1.838 1.00 0.00 H new ATOM 0 HB2 HIS A 61 -2.880 -4.778 3.562 1.00 0.00 H new ATOM 0 HB3 HIS A 61 -2.690 -4.641 1.825 1.00 0.00 H new ATOM 0 HD2 HIS A 61 -5.458 -5.959 4.336 1.00 0.00 H new ATOM 0 HE1 HIS A 61 -7.300 -4.851 0.678 1.00 0.00 H new ATOM 0 HE2 HIS A 61 -7.709 -5.663 3.056 1.00 0.00 H new ATOM 949 N LYS A 62 -0.698 -7.019 0.969 1.00 0.00 N ATOM 950 CA LYS A 62 0.666 -6.968 0.454 1.00 0.00 C ATOM 951 C LYS A 62 0.732 -6.150 -0.831 1.00 0.00 C ATOM 952 O LYS A 62 -0.129 -6.276 -1.704 1.00 0.00 O ATOM 953 CB LYS A 62 1.190 -8.382 0.199 1.00 0.00 C ATOM 954 CG LYS A 62 2.677 -8.434 -0.107 1.00 0.00 C ATOM 955 CD LYS A 62 3.079 -9.777 -0.694 1.00 0.00 C ATOM 956 CE LYS A 62 3.387 -10.792 0.397 1.00 0.00 C ATOM 957 NZ LYS A 62 4.351 -11.827 -0.065 1.00 0.00 N ATOM 0 H LYS A 62 -1.369 -7.463 0.342 1.00 0.00 H new ATOM 0 HA LYS A 62 1.293 -6.485 1.204 1.00 0.00 H new ATOM 0 HB2 LYS A 62 0.986 -8.999 1.074 1.00 0.00 H new ATOM 0 HB3 LYS A 62 0.641 -8.819 -0.635 1.00 0.00 H new ATOM 0 HG2 LYS A 62 2.933 -7.639 -0.807 1.00 0.00 H new ATOM 0 HG3 LYS A 62 3.244 -8.250 0.806 1.00 0.00 H new ATOM 0 HD2 LYS A 62 2.276 -10.154 -1.327 1.00 0.00 H new ATOM 0 HD3 LYS A 62 3.954 -9.650 -1.332 1.00 0.00 H new ATOM 0 HE2 LYS A 62 3.796 -10.278 1.267 1.00 0.00 H new ATOM 0 HE3 LYS A 62 2.463 -11.273 0.717 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 4.535 -12.499 0.707 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 3.951 -12.335 -0.879 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 5.242 -11.371 -0.346 1.00 0.00 H new ATOM 971 N LEU A 63 1.757 -5.313 -0.943 1.00 0.00 N ATOM 972 CA LEU A 63 1.936 -4.475 -2.124 1.00 0.00 C ATOM 973 C LEU A 63 3.412 -4.163 -2.351 1.00 0.00 C ATOM 974 O LEU A 63 4.045 -3.482 -1.544 1.00 0.00 O ATOM 975 CB LEU A 63 1.145 -3.174 -1.975 1.00 0.00 C ATOM 976 CG LEU A 63 0.955 -2.354 -3.252 1.00 0.00 C ATOM 977 CD1 LEU A 63 -0.318 -1.527 -3.171 1.00 0.00 C ATOM 978 CD2 LEU A 63 2.161 -1.458 -3.494 1.00 0.00 C ATOM 0 H LEU A 63 2.477 -5.196 -0.230 1.00 0.00 H new ATOM 0 HA LEU A 63 1.562 -5.023 -2.989 1.00 0.00 H new ATOM 0 HB2 LEU A 63 0.161 -3.414 -1.572 1.00 0.00 H new ATOM 0 HB3 LEU A 63 1.648 -2.549 -1.237 1.00 0.00 H new ATOM 0 HG LEU A 63 0.864 -3.042 -4.093 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -0.436 -0.950 -4.088 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -1.175 -2.189 -3.046 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -0.257 -0.848 -2.321 1.00 0.00 H new ATOM 0 HD21 LEU A 63 2.009 -0.882 -4.407 1.00 0.00 H new ATOM 0 HD22 LEU A 63 2.284 -0.778 -2.651 1.00 0.00 H new ATOM 0 HD23 LEU A 63 3.056 -2.072 -3.598 1.00 0.00 H new ATOM 990 N VAL A 64 3.954 -4.664 -3.457 1.00 0.00 N ATOM 991 CA VAL A 64 5.354 -4.436 -3.793 1.00 0.00 C ATOM 992 C VAL A 64 5.502 -3.948 -5.230 1.00 0.00 C ATOM 993 O VAL A 64 4.949 -4.540 -6.157 1.00 0.00 O ATOM 994 CB VAL A 64 6.191 -5.716 -3.608 1.00 0.00 C ATOM 995 CG1 VAL A 64 5.953 -6.315 -2.231 1.00 0.00 C ATOM 996 CG2 VAL A 64 5.870 -6.724 -4.701 1.00 0.00 C ATOM 0 H VAL A 64 3.444 -5.230 -4.135 1.00 0.00 H new ATOM 0 HA VAL A 64 5.722 -3.668 -3.112 1.00 0.00 H new ATOM 0 HB VAL A 64 7.246 -5.454 -3.686 1.00 0.00 H new ATOM 0 HG11 VAL A 64 6.553 -7.218 -2.119 1.00 0.00 H new ATOM 0 HG12 VAL A 64 6.238 -5.593 -1.466 1.00 0.00 H new ATOM 0 HG13 VAL A 64 4.898 -6.564 -2.120 1.00 0.00 H new ATOM 0 HG21 VAL A 64 6.470 -7.622 -4.555 1.00 0.00 H new ATOM 0 HG22 VAL A 64 4.812 -6.983 -4.658 1.00 0.00 H new ATOM 0 HG23 VAL A 64 6.097 -6.290 -5.675 1.00 0.00 H new ATOM 1006 N ILE A 65 6.252 -2.866 -5.407 1.00 0.00 N ATOM 1007 CA ILE A 65 6.474 -2.299 -6.732 1.00 0.00 C ATOM 1008 C ILE A 65 7.708 -2.907 -7.390 1.00 0.00 C ATOM 1009 O ILE A 65 8.694 -3.212 -6.720 1.00 0.00 O ATOM 1010 CB ILE A 65 6.641 -0.770 -6.669 1.00 0.00 C ATOM 1011 CG1 ILE A 65 5.545 -0.151 -5.798 1.00 0.00 C ATOM 1012 CG2 ILE A 65 6.610 -0.176 -8.070 1.00 0.00 C ATOM 1013 CD1 ILE A 65 5.738 1.328 -5.545 1.00 0.00 C ATOM 0 H ILE A 65 6.716 -2.364 -4.650 1.00 0.00 H new ATOM 0 HA ILE A 65 5.593 -2.536 -7.328 1.00 0.00 H new ATOM 0 HB ILE A 65 7.608 -0.543 -6.220 1.00 0.00 H new ATOM 0 HG12 ILE A 65 4.579 -0.306 -6.279 1.00 0.00 H new ATOM 0 HG13 ILE A 65 5.513 -0.674 -4.842 1.00 0.00 H new ATOM 0 HG21 ILE A 65 6.729 0.906 -8.009 1.00 0.00 H new ATOM 0 HG22 ILE A 65 7.422 -0.598 -8.662 1.00 0.00 H new ATOM 0 HG23 ILE A 65 5.656 -0.410 -8.543 1.00 0.00 H new ATOM 0 HD11 ILE A 65 4.925 1.700 -4.921 1.00 0.00 H new ATOM 0 HD12 ILE A 65 6.688 1.489 -5.036 1.00 0.00 H new ATOM 0 HD13 ILE A 65 5.740 1.862 -6.495 1.00 0.00 H new ATOM 1025 N ALA A 66 7.646 -3.079 -8.706 1.00 0.00 N ATOM 1026 CA ALA A 66 8.760 -3.646 -9.456 1.00 0.00 C ATOM 1027 C ALA A 66 10.000 -2.766 -9.348 1.00 0.00 C ATOM 1028 O ALA A 66 11.080 -3.239 -8.998 1.00 0.00 O ATOM 1029 CB ALA A 66 8.372 -3.837 -10.915 1.00 0.00 C ATOM 0 H ALA A 66 6.836 -2.834 -9.275 1.00 0.00 H new ATOM 0 HA ALA A 66 8.998 -4.618 -9.024 1.00 0.00 H new ATOM 0 HB1 ALA A 66 9.214 -4.261 -11.463 1.00 0.00 H new ATOM 0 HB2 ALA A 66 7.519 -4.513 -10.979 1.00 0.00 H new ATOM 0 HB3 ALA A 66 8.105 -2.874 -11.349 1.00 0.00 H new ATOM 1035 N ASN A 67 9.837 -1.482 -9.650 1.00 0.00 N ATOM 1036 CA ASN A 67 10.945 -0.535 -9.588 1.00 0.00 C ATOM 1037 C ASN A 67 10.510 0.767 -8.922 1.00 0.00 C ATOM 1038 O ASN A 67 9.551 1.407 -9.354 1.00 0.00 O ATOM 1039 CB ASN A 67 11.479 -0.250 -10.993 1.00 0.00 C ATOM 1040 CG ASN A 67 11.571 -1.503 -11.842 1.00 0.00 C ATOM 1041 OD1 ASN A 67 10.591 -1.923 -12.457 1.00 0.00 O ATOM 1042 ND2 ASN A 67 12.754 -2.106 -11.879 1.00 0.00 N ATOM 0 H ASN A 67 8.949 -1.073 -9.940 1.00 0.00 H new ATOM 0 HA ASN A 67 11.739 -0.981 -8.989 1.00 0.00 H new ATOM 0 HB2 ASN A 67 10.829 0.473 -11.486 1.00 0.00 H new ATOM 0 HB3 ASN A 67 12.465 0.208 -10.918 1.00 0.00 H new ATOM 0 HD21 ASN A 67 12.877 -2.953 -12.434 1.00 0.00 H new ATOM 0 HD22 ASN A 67 13.539 -1.722 -11.353 1.00 0.00 H new ATOM 1049 N ALA A 68 11.223 1.154 -7.870 1.00 0.00 N ATOM 1050 CA ALA A 68 10.914 2.381 -7.146 1.00 0.00 C ATOM 1051 C ALA A 68 11.314 3.611 -7.954 1.00 0.00 C ATOM 1052 O ALA A 68 12.498 3.843 -8.205 1.00 0.00 O ATOM 1053 CB ALA A 68 11.610 2.386 -5.793 1.00 0.00 C ATOM 0 H ALA A 68 12.019 0.635 -7.500 1.00 0.00 H new ATOM 0 HA ALA A 68 9.836 2.418 -6.987 1.00 0.00 H new ATOM 0 HB1 ALA A 68 11.370 3.308 -5.264 1.00 0.00 H new ATOM 0 HB2 ALA A 68 11.271 1.532 -5.206 1.00 0.00 H new ATOM 0 HB3 ALA A 68 12.688 2.321 -5.938 1.00 0.00 H new ATOM 1059 N LEU A 69 10.322 4.395 -8.359 1.00 0.00 N ATOM 1060 CA LEU A 69 10.571 5.602 -9.140 1.00 0.00 C ATOM 1061 C LEU A 69 10.417 6.851 -8.278 1.00 0.00 C ATOM 1062 O LEU A 69 9.807 6.808 -7.208 1.00 0.00 O ATOM 1063 CB LEU A 69 9.614 5.669 -10.331 1.00 0.00 C ATOM 1064 CG LEU A 69 9.600 4.448 -11.251 1.00 0.00 C ATOM 1065 CD1 LEU A 69 8.292 4.377 -12.025 1.00 0.00 C ATOM 1066 CD2 LEU A 69 10.785 4.484 -12.205 1.00 0.00 C ATOM 0 H LEU A 69 9.338 4.217 -8.160 1.00 0.00 H new ATOM 0 HA LEU A 69 11.596 5.562 -9.507 1.00 0.00 H new ATOM 0 HB2 LEU A 69 8.604 5.824 -9.952 1.00 0.00 H new ATOM 0 HB3 LEU A 69 9.869 6.545 -10.927 1.00 0.00 H new ATOM 0 HG LEU A 69 9.683 3.553 -10.635 1.00 0.00 H new ATOM 0 HD11 LEU A 69 8.301 3.502 -12.674 1.00 0.00 H new ATOM 0 HD12 LEU A 69 7.459 4.302 -11.326 1.00 0.00 H new ATOM 0 HD13 LEU A 69 8.178 5.276 -12.630 1.00 0.00 H new ATOM 0 HD21 LEU A 69 10.758 3.607 -12.852 1.00 0.00 H new ATOM 0 HD22 LEU A 69 10.734 5.386 -12.815 1.00 0.00 H new ATOM 0 HD23 LEU A 69 11.713 4.485 -11.633 1.00 0.00 H new ATOM 1078 N THR A 70 10.970 7.963 -8.750 1.00 0.00 N ATOM 1079 CA THR A 70 10.893 9.224 -8.024 1.00 0.00 C ATOM 1080 C THR A 70 9.455 9.722 -7.938 1.00 0.00 C ATOM 1081 O THR A 70 9.127 10.557 -7.096 1.00 0.00 O ATOM 1082 CB THR A 70 11.762 10.309 -8.687 1.00 0.00 C ATOM 1083 OG1 THR A 70 11.800 10.106 -10.104 1.00 0.00 O ATOM 1084 CG2 THR A 70 13.176 10.287 -8.128 1.00 0.00 C ATOM 0 H THR A 70 11.477 8.016 -9.633 1.00 0.00 H new ATOM 0 HA THR A 70 11.269 9.033 -7.019 1.00 0.00 H new ATOM 0 HB THR A 70 11.319 11.281 -8.471 1.00 0.00 H new ATOM 0 HG1 THR A 70 10.896 10.196 -10.472 1.00 0.00 H new ATOM 0 HG21 THR A 70 13.771 11.062 -8.612 1.00 0.00 H new ATOM 0 HG22 THR A 70 13.146 10.470 -7.054 1.00 0.00 H new ATOM 0 HG23 THR A 70 13.627 9.313 -8.317 1.00 0.00 H new ATOM 1092 N GLU A 71 8.601 9.203 -8.815 1.00 0.00 N ATOM 1093 CA GLU A 71 7.197 9.597 -8.837 1.00 0.00 C ATOM 1094 C GLU A 71 6.345 8.620 -8.031 1.00 0.00 C ATOM 1095 O GLU A 71 5.156 8.852 -7.811 1.00 0.00 O ATOM 1096 CB GLU A 71 6.686 9.667 -10.277 1.00 0.00 C ATOM 1097 CG GLU A 71 7.301 8.621 -11.193 1.00 0.00 C ATOM 1098 CD GLU A 71 8.581 9.100 -11.849 1.00 0.00 C ATOM 1099 OE1 GLU A 71 8.927 10.288 -11.676 1.00 0.00 O ATOM 1100 OE2 GLU A 71 9.236 8.289 -12.535 1.00 0.00 O ATOM 0 H GLU A 71 8.856 8.510 -9.518 1.00 0.00 H new ATOM 0 HA GLU A 71 7.117 10.584 -8.382 1.00 0.00 H new ATOM 0 HB2 GLU A 71 5.603 9.545 -10.276 1.00 0.00 H new ATOM 0 HB3 GLU A 71 6.894 10.658 -10.680 1.00 0.00 H new ATOM 0 HG2 GLU A 71 7.507 7.717 -10.619 1.00 0.00 H new ATOM 0 HG3 GLU A 71 6.581 8.351 -11.965 1.00 0.00 H new ATOM 1107 N ASP A 72 6.962 7.528 -7.594 1.00 0.00 N ATOM 1108 CA ASP A 72 6.262 6.515 -6.812 1.00 0.00 C ATOM 1109 C ASP A 72 6.266 6.875 -5.330 1.00 0.00 C ATOM 1110 O ASP A 72 5.458 6.362 -4.555 1.00 0.00 O ATOM 1111 CB ASP A 72 6.908 5.144 -7.019 1.00 0.00 C ATOM 1112 CG ASP A 72 6.621 4.571 -8.392 1.00 0.00 C ATOM 1113 OD1 ASP A 72 5.880 5.216 -9.163 1.00 0.00 O ATOM 1114 OD2 ASP A 72 7.139 3.476 -8.698 1.00 0.00 O ATOM 0 H ASP A 72 7.946 7.321 -7.768 1.00 0.00 H new ATOM 0 HA ASP A 72 5.228 6.476 -7.155 1.00 0.00 H new ATOM 0 HB2 ASP A 72 7.986 5.229 -6.882 1.00 0.00 H new ATOM 0 HB3 ASP A 72 6.543 4.455 -6.257 1.00 0.00 H new ATOM 1119 N GLU A 73 7.181 7.758 -4.942 1.00 0.00 N ATOM 1120 CA GLU A 73 7.290 8.184 -3.552 1.00 0.00 C ATOM 1121 C GLU A 73 6.371 9.370 -3.272 1.00 0.00 C ATOM 1122 O GLU A 73 6.269 10.294 -4.078 1.00 0.00 O ATOM 1123 CB GLU A 73 8.736 8.557 -3.221 1.00 0.00 C ATOM 1124 CG GLU A 73 9.554 7.398 -2.677 1.00 0.00 C ATOM 1125 CD GLU A 73 9.292 6.100 -3.416 1.00 0.00 C ATOM 1126 OE1 GLU A 73 9.068 6.151 -4.643 1.00 0.00 O ATOM 1127 OE2 GLU A 73 9.311 5.034 -2.766 1.00 0.00 O ATOM 0 H GLU A 73 7.857 8.192 -5.571 1.00 0.00 H new ATOM 0 HA GLU A 73 6.983 7.351 -2.919 1.00 0.00 H new ATOM 0 HB2 GLU A 73 9.218 8.941 -4.120 1.00 0.00 H new ATOM 0 HB3 GLU A 73 8.736 9.365 -2.490 1.00 0.00 H new ATOM 0 HG2 GLU A 73 10.614 7.643 -2.745 1.00 0.00 H new ATOM 0 HG3 GLU A 73 9.326 7.262 -1.620 1.00 0.00 H new ATOM 1134 N GLY A 74 5.703 9.335 -2.123 1.00 0.00 N ATOM 1135 CA GLY A 74 4.800 10.412 -1.757 1.00 0.00 C ATOM 1136 C GLY A 74 4.029 10.115 -0.486 1.00 0.00 C ATOM 1137 O GLY A 74 4.494 10.413 0.614 1.00 0.00 O ATOM 0 H GLY A 74 5.771 8.581 -1.439 1.00 0.00 H new ATOM 0 HA2 GLY A 74 5.370 11.332 -1.626 1.00 0.00 H new ATOM 0 HA3 GLY A 74 4.098 10.586 -2.572 1.00 0.00 H new ATOM 1141 N ASP A 75 2.847 9.528 -0.637 1.00 0.00 N ATOM 1142 CA ASP A 75 2.009 9.191 0.508 1.00 0.00 C ATOM 1143 C ASP A 75 1.089 8.019 0.182 1.00 0.00 C ATOM 1144 O ASP A 75 0.112 8.169 -0.552 1.00 0.00 O ATOM 1145 CB ASP A 75 1.179 10.404 0.933 1.00 0.00 C ATOM 1146 CG ASP A 75 0.292 10.918 -0.183 1.00 0.00 C ATOM 1147 OD1 ASP A 75 0.591 10.629 -1.360 1.00 0.00 O ATOM 1148 OD2 ASP A 75 -0.702 11.611 0.121 1.00 0.00 O ATOM 0 H ASP A 75 2.447 9.276 -1.541 1.00 0.00 H new ATOM 0 HA ASP A 75 2.661 8.899 1.331 1.00 0.00 H new ATOM 0 HB2 ASP A 75 0.561 10.136 1.790 1.00 0.00 H new ATOM 0 HB3 ASP A 75 1.847 11.201 1.259 1.00 0.00 H new ATOM 1153 N TYR A 76 1.409 6.852 0.730 1.00 0.00 N ATOM 1154 CA TYR A 76 0.614 5.653 0.495 1.00 0.00 C ATOM 1155 C TYR A 76 -0.473 5.504 1.555 1.00 0.00 C ATOM 1156 O TYR A 76 -0.195 5.528 2.754 1.00 0.00 O ATOM 1157 CB TYR A 76 1.511 4.414 0.490 1.00 0.00 C ATOM 1158 CG TYR A 76 2.308 4.248 -0.785 1.00 0.00 C ATOM 1159 CD1 TYR A 76 3.426 5.035 -1.035 1.00 0.00 C ATOM 1160 CD2 TYR A 76 1.942 3.306 -1.738 1.00 0.00 C ATOM 1161 CE1 TYR A 76 4.156 4.887 -2.198 1.00 0.00 C ATOM 1162 CE2 TYR A 76 2.668 3.151 -2.903 1.00 0.00 C ATOM 1163 CZ TYR A 76 3.774 3.944 -3.129 1.00 0.00 C ATOM 1164 OH TYR A 76 4.499 3.794 -4.289 1.00 0.00 O ATOM 0 H TYR A 76 2.214 6.711 1.340 1.00 0.00 H new ATOM 0 HA TYR A 76 0.135 5.750 -0.479 1.00 0.00 H new ATOM 0 HB2 TYR A 76 2.199 4.470 1.334 1.00 0.00 H new ATOM 0 HB3 TYR A 76 0.894 3.528 0.641 1.00 0.00 H new ATOM 0 HD1 TYR A 76 3.729 5.774 -0.308 1.00 0.00 H new ATOM 0 HD2 TYR A 76 1.076 2.685 -1.565 1.00 0.00 H new ATOM 0 HE1 TYR A 76 5.022 5.507 -2.378 1.00 0.00 H new ATOM 0 HE2 TYR A 76 2.371 2.413 -3.633 1.00 0.00 H new ATOM 0 HH TYR A 76 4.916 4.648 -4.527 1.00 0.00 H new ATOM 1174 N VAL A 77 -1.713 5.348 1.103 1.00 0.00 N ATOM 1175 CA VAL A 77 -2.844 5.193 2.011 1.00 0.00 C ATOM 1176 C VAL A 77 -3.744 4.042 1.575 1.00 0.00 C ATOM 1177 O VAL A 77 -4.071 3.908 0.396 1.00 0.00 O ATOM 1178 CB VAL A 77 -3.681 6.483 2.091 1.00 0.00 C ATOM 1179 CG1 VAL A 77 -4.973 6.235 2.854 1.00 0.00 C ATOM 1180 CG2 VAL A 77 -2.876 7.600 2.738 1.00 0.00 C ATOM 0 H VAL A 77 -1.960 5.326 0.114 1.00 0.00 H new ATOM 0 HA VAL A 77 -2.432 4.975 2.996 1.00 0.00 H new ATOM 0 HB VAL A 77 -3.939 6.792 1.078 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -5.551 7.158 2.900 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -5.555 5.467 2.344 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -4.740 5.902 3.865 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -3.482 8.504 2.787 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -2.586 7.303 3.746 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -1.982 7.794 2.146 1.00 0.00 H new ATOM 1190 N PHE A 78 -4.143 3.214 2.535 1.00 0.00 N ATOM 1191 CA PHE A 78 -5.006 2.073 2.251 1.00 0.00 C ATOM 1192 C PHE A 78 -6.458 2.392 2.593 1.00 0.00 C ATOM 1193 O PHE A 78 -6.743 3.355 3.304 1.00 0.00 O ATOM 1194 CB PHE A 78 -4.542 0.847 3.039 1.00 0.00 C ATOM 1195 CG PHE A 78 -5.460 -0.334 2.906 1.00 0.00 C ATOM 1196 CD1 PHE A 78 -5.652 -0.944 1.677 1.00 0.00 C ATOM 1197 CD2 PHE A 78 -6.132 -0.835 4.010 1.00 0.00 C ATOM 1198 CE1 PHE A 78 -6.498 -2.030 1.551 1.00 0.00 C ATOM 1199 CE2 PHE A 78 -6.978 -1.921 3.891 1.00 0.00 C ATOM 1200 CZ PHE A 78 -7.160 -2.520 2.660 1.00 0.00 C ATOM 0 H PHE A 78 -3.883 3.312 3.516 1.00 0.00 H new ATOM 0 HA PHE A 78 -4.941 1.856 1.185 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -3.546 0.563 2.700 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -4.456 1.113 4.092 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -5.135 -0.567 0.807 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -5.993 -0.371 4.975 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -6.641 -2.495 0.587 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -7.496 -2.301 4.759 1.00 0.00 H new ATOM 0 HZ PHE A 78 -7.819 -3.370 2.565 1.00 0.00 H new ATOM 1210 N ALA A 79 -7.373 1.576 2.079 1.00 0.00 N ATOM 1211 CA ALA A 79 -8.796 1.770 2.331 1.00 0.00 C ATOM 1212 C ALA A 79 -9.590 0.515 1.984 1.00 0.00 C ATOM 1213 O ALA A 79 -9.641 0.082 0.833 1.00 0.00 O ATOM 1214 CB ALA A 79 -9.315 2.961 1.539 1.00 0.00 C ATOM 0 H ALA A 79 -7.154 0.775 1.486 1.00 0.00 H new ATOM 0 HA ALA A 79 -8.928 1.970 3.394 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -10.379 3.094 1.737 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -8.775 3.860 1.838 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -9.163 2.784 0.474 1.00 0.00 H new ATOM 1220 N PRO A 80 -10.225 -0.085 3.002 1.00 0.00 N ATOM 1221 CA PRO A 80 -11.028 -1.299 2.829 1.00 0.00 C ATOM 1222 C PRO A 80 -12.314 -1.037 2.053 1.00 0.00 C ATOM 1223 O PRO A 80 -12.860 0.066 2.090 1.00 0.00 O ATOM 1224 CB PRO A 80 -11.347 -1.721 4.266 1.00 0.00 C ATOM 1225 CG PRO A 80 -11.271 -0.460 5.056 1.00 0.00 C ATOM 1226 CD PRO A 80 -10.208 0.376 4.401 1.00 0.00 C ATOM 0 HA PRO A 80 -10.499 -2.059 2.254 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -12.336 -2.173 4.336 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -10.633 -2.460 4.630 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -12.230 0.058 5.057 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -11.019 -0.666 6.096 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -10.431 1.440 4.476 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -9.233 0.221 4.863 1.00 0.00 H new ATOM 1234 N ASP A 81 -12.794 -2.058 1.351 1.00 0.00 N ATOM 1235 CA ASP A 81 -14.018 -1.939 0.567 1.00 0.00 C ATOM 1236 C ASP A 81 -15.245 -2.218 1.429 1.00 0.00 C ATOM 1237 O ASP A 81 -16.350 -2.393 0.915 1.00 0.00 O ATOM 1238 CB ASP A 81 -13.984 -2.903 -0.620 1.00 0.00 C ATOM 1239 CG ASP A 81 -14.837 -2.424 -1.779 1.00 0.00 C ATOM 1240 OD1 ASP A 81 -14.451 -1.429 -2.428 1.00 0.00 O ATOM 1241 OD2 ASP A 81 -15.890 -3.044 -2.036 1.00 0.00 O ATOM 0 H ASP A 81 -12.354 -2.977 1.309 1.00 0.00 H new ATOM 0 HA ASP A 81 -14.083 -0.917 0.194 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -12.954 -3.025 -0.956 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -14.332 -3.884 -0.298 1.00 0.00 H new ATOM 1246 N ALA A 82 -15.043 -2.258 2.742 1.00 0.00 N ATOM 1247 CA ALA A 82 -16.133 -2.514 3.675 1.00 0.00 C ATOM 1248 C ALA A 82 -16.288 -1.366 4.667 1.00 0.00 C ATOM 1249 O ALA A 82 -17.381 -1.115 5.174 1.00 0.00 O ATOM 1250 CB ALA A 82 -15.898 -3.824 4.413 1.00 0.00 C ATOM 0 H ALA A 82 -14.134 -2.116 3.183 1.00 0.00 H new ATOM 0 HA ALA A 82 -17.058 -2.592 3.103 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -16.719 -4.003 5.107 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -15.845 -4.642 3.694 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -14.961 -3.766 4.967 1.00 0.00 H new ATOM 1256 N TYR A 83 -15.188 -0.674 4.940 1.00 0.00 N ATOM 1257 CA TYR A 83 -15.201 0.446 5.874 1.00 0.00 C ATOM 1258 C TYR A 83 -14.682 1.716 5.208 1.00 0.00 C ATOM 1259 O TYR A 83 -14.354 1.720 4.023 1.00 0.00 O ATOM 1260 CB TYR A 83 -14.356 0.120 7.106 1.00 0.00 C ATOM 1261 CG TYR A 83 -14.531 -1.298 7.602 1.00 0.00 C ATOM 1262 CD1 TYR A 83 -13.905 -2.361 6.963 1.00 0.00 C ATOM 1263 CD2 TYR A 83 -15.322 -1.574 8.711 1.00 0.00 C ATOM 1264 CE1 TYR A 83 -14.063 -3.658 7.412 1.00 0.00 C ATOM 1265 CE2 TYR A 83 -15.484 -2.867 9.168 1.00 0.00 C ATOM 1266 CZ TYR A 83 -14.853 -3.906 8.516 1.00 0.00 C ATOM 1267 OH TYR A 83 -15.012 -5.196 8.968 1.00 0.00 O ATOM 0 H TYR A 83 -14.276 -0.869 4.528 1.00 0.00 H new ATOM 0 HA TYR A 83 -16.232 0.616 6.184 1.00 0.00 H new ATOM 0 HB2 TYR A 83 -13.305 0.286 6.870 1.00 0.00 H new ATOM 0 HB3 TYR A 83 -14.616 0.811 7.908 1.00 0.00 H new ATOM 0 HD1 TYR A 83 -13.284 -2.170 6.100 1.00 0.00 H new ATOM 0 HD2 TYR A 83 -15.818 -0.764 9.224 1.00 0.00 H new ATOM 0 HE1 TYR A 83 -13.571 -4.473 6.902 1.00 0.00 H new ATOM 0 HE2 TYR A 83 -16.102 -3.064 10.032 1.00 0.00 H new ATOM 0 HH TYR A 83 -14.347 -5.384 9.663 1.00 0.00 H new ATOM 1277 N ASN A 84 -14.610 2.795 5.982 1.00 0.00 N ATOM 1278 CA ASN A 84 -14.130 4.073 5.469 1.00 0.00 C ATOM 1279 C ASN A 84 -12.875 4.521 6.212 1.00 0.00 C ATOM 1280 O ASN A 84 -12.680 5.711 6.461 1.00 0.00 O ATOM 1281 CB ASN A 84 -15.220 5.139 5.597 1.00 0.00 C ATOM 1282 CG ASN A 84 -14.746 6.508 5.149 1.00 0.00 C ATOM 1283 OD1 ASN A 84 -14.433 6.715 3.976 1.00 0.00 O ATOM 1284 ND2 ASN A 84 -14.690 7.450 6.083 1.00 0.00 N ATOM 0 H ASN A 84 -14.878 2.809 6.966 1.00 0.00 H new ATOM 0 HA ASN A 84 -13.880 3.943 4.416 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -16.084 4.844 5.002 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -15.551 5.194 6.634 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -14.378 8.390 5.841 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -14.959 7.233 7.043 1.00 0.00 H new ATOM 1291 N VAL A 85 -12.027 3.559 6.563 1.00 0.00 N ATOM 1292 CA VAL A 85 -10.790 3.854 7.276 1.00 0.00 C ATOM 1293 C VAL A 85 -9.646 4.123 6.304 1.00 0.00 C ATOM 1294 O VAL A 85 -9.726 3.780 5.124 1.00 0.00 O ATOM 1295 CB VAL A 85 -10.392 2.698 8.212 1.00 0.00 C ATOM 1296 CG1 VAL A 85 -10.129 1.430 7.414 1.00 0.00 C ATOM 1297 CG2 VAL A 85 -9.175 3.079 9.041 1.00 0.00 C ATOM 0 H VAL A 85 -12.174 2.569 6.365 1.00 0.00 H new ATOM 0 HA VAL A 85 -10.974 4.748 7.872 1.00 0.00 H new ATOM 0 HB VAL A 85 -11.220 2.504 8.893 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -9.849 0.624 8.093 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -11.031 1.149 6.870 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -9.319 1.607 6.707 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -8.908 2.250 9.697 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -8.339 3.302 8.378 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -9.405 3.958 9.643 1.00 0.00 H new ATOM 1307 N THR A 86 -8.580 4.737 6.808 1.00 0.00 N ATOM 1308 CA THR A 86 -7.420 5.052 5.985 1.00 0.00 C ATOM 1309 C THR A 86 -6.124 4.871 6.768 1.00 0.00 C ATOM 1310 O THR A 86 -5.957 5.435 7.850 1.00 0.00 O ATOM 1311 CB THR A 86 -7.485 6.496 5.451 1.00 0.00 C ATOM 1312 OG1 THR A 86 -7.840 7.394 6.508 1.00 0.00 O ATOM 1313 CG2 THR A 86 -8.497 6.609 4.321 1.00 0.00 C ATOM 0 H THR A 86 -8.497 5.026 7.783 1.00 0.00 H new ATOM 0 HA THR A 86 -7.433 4.360 5.143 1.00 0.00 H new ATOM 0 HB THR A 86 -6.501 6.762 5.065 1.00 0.00 H new ATOM 0 HG1 THR A 86 -7.412 7.104 7.341 1.00 0.00 H new ATOM 0 HG21 THR A 86 -8.526 7.637 3.960 1.00 0.00 H new ATOM 0 HG22 THR A 86 -8.208 5.946 3.506 1.00 0.00 H new ATOM 0 HG23 THR A 86 -9.484 6.325 4.687 1.00 0.00 H new ATOM 1321 N LEU A 87 -5.211 4.080 6.216 1.00 0.00 N ATOM 1322 CA LEU A 87 -3.929 3.824 6.863 1.00 0.00 C ATOM 1323 C LEU A 87 -2.819 4.648 6.218 1.00 0.00 C ATOM 1324 O LEU A 87 -2.333 4.336 5.130 1.00 0.00 O ATOM 1325 CB LEU A 87 -3.585 2.335 6.787 1.00 0.00 C ATOM 1326 CG LEU A 87 -4.394 1.412 7.698 1.00 0.00 C ATOM 1327 CD1 LEU A 87 -5.859 1.409 7.289 1.00 0.00 C ATOM 1328 CD2 LEU A 87 -3.827 0.000 7.666 1.00 0.00 C ATOM 0 H LEU A 87 -5.334 3.605 5.322 1.00 0.00 H new ATOM 0 HA LEU A 87 -4.013 4.118 7.909 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -3.718 2.004 5.757 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -2.529 2.214 7.026 1.00 0.00 H new ATOM 0 HG LEU A 87 -4.323 1.788 8.719 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -6.420 0.746 7.949 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -6.260 2.420 7.364 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -5.949 1.058 6.261 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -4.415 -0.643 8.320 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -3.867 -0.385 6.647 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -2.792 0.016 8.008 1.00 0.00 H new ATOM 1340 N PRO A 88 -2.406 5.724 6.903 1.00 0.00 N ATOM 1341 CA PRO A 88 -1.347 6.613 6.417 1.00 0.00 C ATOM 1342 C PRO A 88 0.025 5.949 6.443 1.00 0.00 C ATOM 1343 O PRO A 88 0.333 5.173 7.347 1.00 0.00 O ATOM 1344 CB PRO A 88 -1.391 7.787 7.398 1.00 0.00 C ATOM 1345 CG PRO A 88 -1.970 7.216 8.646 1.00 0.00 C ATOM 1346 CD PRO A 88 -2.941 6.156 8.205 1.00 0.00 C ATOM 0 HA PRO A 88 -1.503 6.902 5.378 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -0.395 8.194 7.574 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -2.005 8.602 7.013 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -1.191 6.792 9.279 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -2.472 7.986 9.231 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -2.985 5.330 8.915 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -3.953 6.551 8.113 1.00 0.00 H new ATOM 1354 N ALA A 89 0.847 6.259 5.445 1.00 0.00 N ATOM 1355 CA ALA A 89 2.187 5.693 5.355 1.00 0.00 C ATOM 1356 C ALA A 89 3.139 6.647 4.642 1.00 0.00 C ATOM 1357 O ALA A 89 2.743 7.364 3.723 1.00 0.00 O ATOM 1358 CB ALA A 89 2.147 4.351 4.639 1.00 0.00 C ATOM 0 H ALA A 89 0.608 6.899 4.688 1.00 0.00 H new ATOM 0 HA ALA A 89 2.559 5.540 6.368 1.00 0.00 H new ATOM 0 HB1 ALA A 89 3.155 3.940 4.579 1.00 0.00 H new ATOM 0 HB2 ALA A 89 1.507 3.663 5.191 1.00 0.00 H new ATOM 0 HB3 ALA A 89 1.750 4.487 3.633 1.00 0.00 H new ATOM 1364 N LYS A 90 4.396 6.652 5.071 1.00 0.00 N ATOM 1365 CA LYS A 90 5.406 7.518 4.474 1.00 0.00 C ATOM 1366 C LYS A 90 6.497 6.694 3.797 1.00 0.00 C ATOM 1367 O LYS A 90 6.900 5.646 4.300 1.00 0.00 O ATOM 1368 CB LYS A 90 6.025 8.425 5.540 1.00 0.00 C ATOM 1369 CG LYS A 90 5.106 9.545 5.994 1.00 0.00 C ATOM 1370 CD LYS A 90 5.893 10.747 6.487 1.00 0.00 C ATOM 1371 CE LYS A 90 6.435 11.572 5.330 1.00 0.00 C ATOM 1372 NZ LYS A 90 5.367 12.376 4.674 1.00 0.00 N ATOM 0 H LYS A 90 4.740 6.065 5.831 1.00 0.00 H new ATOM 0 HA LYS A 90 4.919 8.135 3.719 1.00 0.00 H new ATOM 0 HB2 LYS A 90 6.301 7.820 6.404 1.00 0.00 H new ATOM 0 HB3 LYS A 90 6.945 8.858 5.147 1.00 0.00 H new ATOM 0 HG2 LYS A 90 4.461 9.845 5.168 1.00 0.00 H new ATOM 0 HG3 LYS A 90 4.456 9.183 6.791 1.00 0.00 H new ATOM 0 HD2 LYS A 90 5.253 11.371 7.111 1.00 0.00 H new ATOM 0 HD3 LYS A 90 6.719 10.410 7.113 1.00 0.00 H new ATOM 0 HE2 LYS A 90 7.218 12.237 5.694 1.00 0.00 H new ATOM 0 HE3 LYS A 90 6.894 10.910 4.596 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 5.799 13.059 4.020 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 4.732 11.744 4.146 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 4.823 12.887 5.398 1.00 0.00 H new ATOM 1386 N VAL A 91 6.972 7.177 2.653 1.00 0.00 N ATOM 1387 CA VAL A 91 8.018 6.486 1.907 1.00 0.00 C ATOM 1388 C VAL A 91 8.938 7.479 1.205 1.00 0.00 C ATOM 1389 O VAL A 91 8.534 8.596 0.882 1.00 0.00 O ATOM 1390 CB VAL A 91 7.421 5.527 0.861 1.00 0.00 C ATOM 1391 CG1 VAL A 91 7.271 4.129 1.442 1.00 0.00 C ATOM 1392 CG2 VAL A 91 6.085 6.051 0.358 1.00 0.00 C ATOM 0 H VAL A 91 6.649 8.044 2.223 1.00 0.00 H new ATOM 0 HA VAL A 91 8.595 5.909 2.630 1.00 0.00 H new ATOM 0 HB VAL A 91 8.104 5.471 0.014 1.00 0.00 H new ATOM 0 HG11 VAL A 91 6.848 3.465 0.688 1.00 0.00 H new ATOM 0 HG12 VAL A 91 8.248 3.755 1.747 1.00 0.00 H new ATOM 0 HG13 VAL A 91 6.609 4.164 2.308 1.00 0.00 H new ATOM 0 HG21 VAL A 91 5.678 5.360 -0.381 1.00 0.00 H new ATOM 0 HG22 VAL A 91 5.391 6.139 1.194 1.00 0.00 H new ATOM 0 HG23 VAL A 91 6.227 7.030 -0.100 1.00 0.00 H new ATOM 1402 N HIS A 92 10.179 7.063 0.971 1.00 0.00 N ATOM 1403 CA HIS A 92 11.158 7.915 0.306 1.00 0.00 C ATOM 1404 C HIS A 92 12.029 7.101 -0.646 1.00 0.00 C ATOM 1405 O HIS A 92 12.213 5.898 -0.460 1.00 0.00 O ATOM 1406 CB HIS A 92 12.035 8.624 1.339 1.00 0.00 C ATOM 1407 CG HIS A 92 11.254 9.385 2.365 1.00 0.00 C ATOM 1408 ND1 HIS A 92 10.981 10.732 2.256 1.00 0.00 N ATOM 1409 CD2 HIS A 92 10.686 8.981 3.525 1.00 0.00 C ATOM 1410 CE1 HIS A 92 10.280 11.124 3.305 1.00 0.00 C ATOM 1411 NE2 HIS A 92 10.087 10.079 4.090 1.00 0.00 N ATOM 0 H HIS A 92 10.530 6.142 1.232 1.00 0.00 H new ATOM 0 HA HIS A 92 10.617 8.663 -0.274 1.00 0.00 H new ATOM 0 HB2 HIS A 92 12.658 7.885 1.843 1.00 0.00 H new ATOM 0 HB3 HIS A 92 12.707 9.310 0.824 1.00 0.00 H new ATOM 0 HD2 HIS A 92 10.701 7.980 3.931 1.00 0.00 H new ATOM 0 HE1 HIS A 92 9.925 12.127 3.489 1.00 0.00 H new ATOM 0 HE2 HIS A 92 9.576 10.087 4.973 1.00 0.00 H new ATOM 1420 N VAL A 93 12.564 7.764 -1.666 1.00 0.00 N ATOM 1421 CA VAL A 93 13.416 7.102 -2.647 1.00 0.00 C ATOM 1422 C VAL A 93 14.720 7.866 -2.846 1.00 0.00 C ATOM 1423 O VAL A 93 14.714 9.079 -3.062 1.00 0.00 O ATOM 1424 CB VAL A 93 12.704 6.961 -4.005 1.00 0.00 C ATOM 1425 CG1 VAL A 93 12.279 8.324 -4.530 1.00 0.00 C ATOM 1426 CG2 VAL A 93 13.603 6.251 -5.006 1.00 0.00 C ATOM 0 H VAL A 93 12.422 8.760 -1.835 1.00 0.00 H new ATOM 0 HA VAL A 93 13.636 6.109 -2.256 1.00 0.00 H new ATOM 0 HB VAL A 93 11.807 6.357 -3.865 1.00 0.00 H new ATOM 0 HG11 VAL A 93 11.778 8.204 -5.490 1.00 0.00 H new ATOM 0 HG12 VAL A 93 11.596 8.791 -3.820 1.00 0.00 H new ATOM 0 HG13 VAL A 93 13.158 8.956 -4.656 1.00 0.00 H new ATOM 0 HG21 VAL A 93 13.084 6.160 -5.960 1.00 0.00 H new ATOM 0 HG22 VAL A 93 14.519 6.826 -5.144 1.00 0.00 H new ATOM 0 HG23 VAL A 93 13.851 5.258 -4.632 1.00 0.00 H new ATOM 1436 N ILE A 94 15.836 7.150 -2.773 1.00 0.00 N ATOM 1437 CA ILE A 94 17.148 7.760 -2.947 1.00 0.00 C ATOM 1438 C ILE A 94 17.527 7.837 -4.422 1.00 0.00 C ATOM 1439 O ILE A 94 17.207 6.942 -5.203 1.00 0.00 O ATOM 1440 CB ILE A 94 18.238 6.979 -2.189 1.00 0.00 C ATOM 1441 CG1 ILE A 94 17.770 6.658 -0.767 1.00 0.00 C ATOM 1442 CG2 ILE A 94 19.535 7.773 -2.159 1.00 0.00 C ATOM 1443 CD1 ILE A 94 18.575 5.566 -0.099 1.00 0.00 C ATOM 0 H ILE A 94 15.858 6.146 -2.594 1.00 0.00 H new ATOM 0 HA ILE A 94 17.084 8.768 -2.537 1.00 0.00 H new ATOM 0 HB ILE A 94 18.422 6.040 -2.712 1.00 0.00 H new ATOM 0 HG12 ILE A 94 17.827 7.563 -0.161 1.00 0.00 H new ATOM 0 HG13 ILE A 94 16.722 6.360 -0.797 1.00 0.00 H new ATOM 0 HG21 ILE A 94 20.295 7.208 -1.620 1.00 0.00 H new ATOM 0 HG22 ILE A 94 19.874 7.955 -3.179 1.00 0.00 H new ATOM 0 HG23 ILE A 94 19.367 8.726 -1.657 1.00 0.00 H new ATOM 0 HD11 ILE A 94 18.188 5.391 0.905 1.00 0.00 H new ATOM 0 HD12 ILE A 94 18.498 4.649 -0.682 1.00 0.00 H new ATOM 0 HD13 ILE A 94 19.620 5.870 -0.037 1.00 0.00 H new