USER MOD reduce.3.24.130724 H: found=0, std=0, add=600, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 601 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 70 LYS NZ :NH3+ -165:sc= 0 (180deg=0) USER MOD Set 1.2: A 71 GLN : amide:sc= -0.388 X(o=-0.39,f=-0.39) USER MOD Set 2.1: A 18 GLN : amide:sc= -0.793 K(o=-1.9,f=-0.92) USER MOD Set 2.2: A 37 CYS SG : rot -128:sc= -0.428 USER MOD Set 2.3: A 40 LYS NZ :NH3+ 145:sc= -0.725 (180deg=-1.52!) USER MOD Set 3.1: A 16 HIS : no HE2:sc= -7.03! C(o=-10!,f=-17!) USER MOD Set 3.2: A 64 GLN : amide:sc= -3.21! C(o=-10!,f=-10!) USER MOD Single : A 13 ASN : amide:sc= -0.285 X(o=-0.29,f=0) USER MOD Single : A 17 GLN : amide:sc= -0.218 K(o=-0.22,f=-1.4) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot -37:sc= 0.245 USER MOD Single : A 38 HIS : no HD1:sc= -0.492 X(o=-0.49,f=-0.97) USER MOD Single : A 42 THR OG1 : rot -12:sc= 0.248 USER MOD Single : A 43 THR OG1 : rot 77:sc= 0.651 USER MOD Single : A 44 TYR OH : rot 30:sc= -0.651 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 49 MET CE :methyl 162:sc= -3.91 (180deg=-5.63!) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 THR OG1 : rot 160:sc= 0 USER MOD Single : A 54 SER OG : rot 180:sc= -0.031 USER MOD Single : A 56 GLN : amide:sc= -0.239 X(o=-0.24,f=-0.061) USER MOD Single : A 58 HIS : no HD1:sc= -2.8! C(o=-2.8!,f=-4.1!) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 180:sc= 0.00266 USER MOD Single : A 68 HIS : no HD1:sc= -1.66 X(o=-1.7,f=-1.6) USER MOD Single : A 69 MET CE :methyl -163:sc= -0.887 (180deg=-1.62) USER MOD Single : A 76 GLN : amide:sc= -0.18 X(o=-0.18,f=0) USER MOD Single : A 80 LYS NZ :NH3+ 153:sc= -0.754 (180deg=-1.09) USER MOD ----------------------------------------------------------------- ATOM 98 N GLY A 10 -5.514 18.278 0.575 1.00 0.00 N ATOM 99 CA GLY A 10 -5.922 17.756 -0.716 1.00 0.00 C ATOM 100 C GLY A 10 -5.165 16.500 -1.099 1.00 0.00 C ATOM 101 O GLY A 10 -5.734 15.412 -1.195 1.00 0.00 O ATOM 0 HA2 GLY A 10 -6.990 17.541 -0.696 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -5.764 18.518 -1.479 1.00 0.00 H new ATOM 105 N PRO A 11 -3.851 16.642 -1.327 1.00 0.00 N ATOM 106 CA PRO A 11 -2.987 15.520 -1.706 1.00 0.00 C ATOM 107 C PRO A 11 -2.782 14.534 -0.562 1.00 0.00 C ATOM 108 O PRO A 11 -2.286 13.425 -0.765 1.00 0.00 O ATOM 109 CB PRO A 11 -1.665 16.198 -2.072 1.00 0.00 C ATOM 110 CG PRO A 11 -1.669 17.475 -1.304 1.00 0.00 C ATOM 111 CD PRO A 11 -3.107 17.909 -1.231 1.00 0.00 C ATOM 0 HA PRO A 11 -3.417 14.930 -2.515 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -0.812 15.575 -1.801 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -1.598 16.381 -3.144 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -1.253 17.332 -0.307 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -1.058 18.230 -1.799 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -3.322 18.432 -0.299 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -3.364 18.588 -2.044 1.00 0.00 H new ATOM 119 N LEU A 12 -3.166 14.943 0.642 1.00 0.00 N ATOM 120 CA LEU A 12 -3.025 14.095 1.820 1.00 0.00 C ATOM 121 C LEU A 12 -4.183 13.108 1.923 1.00 0.00 C ATOM 122 O LEU A 12 -3.991 11.945 2.276 1.00 0.00 O ATOM 123 CB LEU A 12 -2.957 14.952 3.085 1.00 0.00 C ATOM 124 CG LEU A 12 -1.600 15.585 3.395 1.00 0.00 C ATOM 125 CD1 LEU A 12 -1.741 16.650 4.472 1.00 0.00 C ATOM 126 CD2 LEU A 12 -0.600 14.520 3.824 1.00 0.00 C ATOM 0 H LEU A 12 -3.578 15.857 0.828 1.00 0.00 H new ATOM 0 HA LEU A 12 -2.098 13.530 1.721 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -3.696 15.749 3.000 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -3.250 14.335 3.934 1.00 0.00 H new ATOM 0 HG LEU A 12 -1.227 16.061 2.488 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -0.765 17.089 4.679 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -2.423 17.427 4.128 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -2.136 16.198 5.382 1.00 0.00 H new ATOM 0 HD21 LEU A 12 0.360 14.989 4.041 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -0.967 14.015 4.717 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -0.476 13.793 3.021 1.00 0.00 H new ATOM 138 N ASN A 13 -5.386 13.580 1.610 1.00 0.00 N ATOM 139 CA ASN A 13 -6.575 12.738 1.665 1.00 0.00 C ATOM 140 C ASN A 13 -6.612 11.770 0.486 1.00 0.00 C ATOM 141 O ASN A 13 -6.798 10.565 0.664 1.00 0.00 O ATOM 142 CB ASN A 13 -7.837 13.602 1.669 1.00 0.00 C ATOM 143 CG ASN A 13 -9.016 12.903 2.318 1.00 0.00 C ATOM 144 OD1 ASN A 13 -9.452 13.278 3.406 1.00 0.00 O ATOM 145 ND2 ASN A 13 -9.536 11.879 1.651 1.00 0.00 N ATOM 0 H ASN A 13 -5.563 14.541 1.316 1.00 0.00 H new ATOM 0 HA ASN A 13 -6.536 12.158 2.587 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -7.634 14.533 2.198 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -8.095 13.867 0.644 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -10.330 11.368 2.038 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -9.142 11.603 0.752 1.00 0.00 H new ATOM 152 N LEU A 14 -6.432 12.304 -0.717 1.00 0.00 N ATOM 153 CA LEU A 14 -6.444 11.488 -1.926 1.00 0.00 C ATOM 154 C LEU A 14 -5.647 10.203 -1.724 1.00 0.00 C ATOM 155 O LEU A 14 -6.147 9.106 -1.965 1.00 0.00 O ATOM 156 CB LEU A 14 -5.870 12.278 -3.103 1.00 0.00 C ATOM 157 CG LEU A 14 -6.854 13.180 -3.850 1.00 0.00 C ATOM 158 CD1 LEU A 14 -6.107 14.207 -4.686 1.00 0.00 C ATOM 159 CD2 LEU A 14 -7.781 12.349 -4.725 1.00 0.00 C ATOM 0 H LEU A 14 -6.276 13.299 -0.881 1.00 0.00 H new ATOM 0 HA LEU A 14 -7.478 11.221 -2.145 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -5.050 12.895 -2.735 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -5.443 11.572 -3.815 1.00 0.00 H new ATOM 0 HG LEU A 14 -7.460 13.711 -3.116 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -6.823 14.840 -5.210 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -5.486 14.823 -4.036 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -5.475 13.695 -5.412 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -8.474 13.007 -5.249 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -7.191 11.791 -5.452 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -8.343 11.653 -4.102 1.00 0.00 H new ATOM 171 N ALA A 15 -4.404 10.349 -1.277 1.00 0.00 N ATOM 172 CA ALA A 15 -3.538 9.201 -1.037 1.00 0.00 C ATOM 173 C ALA A 15 -4.202 8.200 -0.098 1.00 0.00 C ATOM 174 O ALA A 15 -4.200 6.995 -0.355 1.00 0.00 O ATOM 175 CB ALA A 15 -2.202 9.656 -0.469 1.00 0.00 C ATOM 0 H ALA A 15 -3.974 11.251 -1.074 1.00 0.00 H new ATOM 0 HA ALA A 15 -3.363 8.704 -1.991 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -1.566 8.788 -0.295 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -1.715 10.327 -1.177 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -2.366 10.180 0.473 1.00 0.00 H new ATOM 181 N HIS A 16 -4.769 8.705 0.993 1.00 0.00 N ATOM 182 CA HIS A 16 -5.437 7.854 1.972 1.00 0.00 C ATOM 183 C HIS A 16 -6.437 6.925 1.291 1.00 0.00 C ATOM 184 O HIS A 16 -6.463 5.723 1.557 1.00 0.00 O ATOM 185 CB HIS A 16 -6.149 8.709 3.020 1.00 0.00 C ATOM 186 CG HIS A 16 -5.255 9.709 3.685 1.00 0.00 C ATOM 187 ND1 HIS A 16 -5.730 10.835 4.325 1.00 0.00 N ATOM 188 CD2 HIS A 16 -3.908 9.748 3.809 1.00 0.00 C ATOM 189 CE1 HIS A 16 -4.713 11.523 4.812 1.00 0.00 C ATOM 190 NE2 HIS A 16 -3.596 10.885 4.513 1.00 0.00 N ATOM 0 H HIS A 16 -4.779 9.699 1.222 1.00 0.00 H new ATOM 0 HA HIS A 16 -4.679 7.245 2.465 1.00 0.00 H new ATOM 0 HB2 HIS A 16 -6.978 9.234 2.546 1.00 0.00 H new ATOM 0 HB3 HIS A 16 -6.578 8.056 3.780 1.00 0.00 H new ATOM 0 HD1 HIS A 16 -6.713 11.095 4.409 1.00 0.00 H new ATOM 0 HD2 HIS A 16 -3.208 9.020 3.426 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -4.783 12.450 5.362 1.00 0.00 H new ATOM 199 N GLN A 17 -7.259 7.489 0.412 1.00 0.00 N ATOM 200 CA GLN A 17 -8.262 6.711 -0.305 1.00 0.00 C ATOM 201 C GLN A 17 -7.679 5.388 -0.791 1.00 0.00 C ATOM 202 O GLN A 17 -8.283 4.331 -0.614 1.00 0.00 O ATOM 203 CB GLN A 17 -8.805 7.509 -1.491 1.00 0.00 C ATOM 204 CG GLN A 17 -9.591 8.745 -1.084 1.00 0.00 C ATOM 205 CD GLN A 17 -10.093 9.537 -2.276 1.00 0.00 C ATOM 206 OE1 GLN A 17 -9.411 9.644 -3.296 1.00 0.00 O ATOM 207 NE2 GLN A 17 -11.291 10.096 -2.154 1.00 0.00 N ATOM 0 H GLN A 17 -7.250 8.482 0.179 1.00 0.00 H new ATOM 0 HA GLN A 17 -9.079 6.496 0.383 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -7.973 7.811 -2.127 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -9.446 6.862 -2.091 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -10.439 8.445 -0.469 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -8.960 9.385 -0.467 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -11.822 9.981 -1.290 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -11.681 10.640 -2.924 1.00 0.00 H new ATOM 216 N GLN A 18 -6.502 5.456 -1.405 1.00 0.00 N ATOM 217 CA GLN A 18 -5.839 4.263 -1.918 1.00 0.00 C ATOM 218 C GLN A 18 -5.383 3.360 -0.776 1.00 0.00 C ATOM 219 O GLN A 18 -5.631 2.155 -0.789 1.00 0.00 O ATOM 220 CB GLN A 18 -4.640 4.653 -2.785 1.00 0.00 C ATOM 221 CG GLN A 18 -5.027 5.345 -4.082 1.00 0.00 C ATOM 222 CD GLN A 18 -6.065 4.569 -4.870 1.00 0.00 C ATOM 223 OE1 GLN A 18 -7.226 4.970 -4.951 1.00 0.00 O ATOM 224 NE2 GLN A 18 -5.650 3.452 -5.456 1.00 0.00 N ATOM 0 H GLN A 18 -5.988 6.324 -1.559 1.00 0.00 H new ATOM 0 HA GLN A 18 -6.556 3.713 -2.528 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -3.987 5.312 -2.212 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -4.064 3.757 -3.018 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -5.415 6.339 -3.858 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -4.137 5.481 -4.696 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -4.678 3.158 -5.362 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -6.303 2.888 -6.000 1.00 0.00 H new ATOM 233 N SER A 19 -4.716 3.952 0.209 1.00 0.00 N ATOM 234 CA SER A 19 -4.222 3.200 1.357 1.00 0.00 C ATOM 235 C SER A 19 -5.293 2.251 1.886 1.00 0.00 C ATOM 236 O SER A 19 -5.001 1.115 2.258 1.00 0.00 O ATOM 237 CB SER A 19 -3.777 4.156 2.466 1.00 0.00 C ATOM 238 OG SER A 19 -3.479 3.450 3.658 1.00 0.00 O ATOM 0 H SER A 19 -4.505 4.950 0.236 1.00 0.00 H new ATOM 0 HA SER A 19 -3.366 2.608 1.032 1.00 0.00 H new ATOM 0 HB2 SER A 19 -2.898 4.713 2.140 1.00 0.00 H new ATOM 0 HB3 SER A 19 -4.563 4.886 2.659 1.00 0.00 H new ATOM 0 HG SER A 19 -3.196 4.083 4.351 1.00 0.00 H new ATOM 244 N ARG A 20 -6.533 2.728 1.917 1.00 0.00 N ATOM 245 CA ARG A 20 -7.648 1.923 2.402 1.00 0.00 C ATOM 246 C ARG A 20 -7.787 0.640 1.589 1.00 0.00 C ATOM 247 O ARG A 20 -8.018 -0.436 2.142 1.00 0.00 O ATOM 248 CB ARG A 20 -8.950 2.725 2.337 1.00 0.00 C ATOM 249 CG ARG A 20 -9.177 3.618 3.545 1.00 0.00 C ATOM 250 CD ARG A 20 -10.639 4.014 3.678 1.00 0.00 C ATOM 251 NE ARG A 20 -11.503 2.855 3.887 1.00 0.00 N ATOM 252 CZ ARG A 20 -12.830 2.911 3.847 1.00 0.00 C ATOM 253 NH1 ARG A 20 -13.441 4.063 3.607 1.00 0.00 N ATOM 254 NH2 ARG A 20 -13.547 1.813 4.047 1.00 0.00 N ATOM 0 H ARG A 20 -6.791 3.667 1.612 1.00 0.00 H new ATOM 0 HA ARG A 20 -7.446 1.655 3.439 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -8.943 3.340 1.437 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -9.788 2.034 2.244 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -8.856 3.099 4.448 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -8.563 4.514 3.457 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -10.753 4.706 4.512 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -10.954 4.544 2.779 1.00 0.00 H new ATOM 0 HE ARG A 20 -11.064 1.954 4.074 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -12.892 4.909 3.453 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -14.460 4.103 3.577 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -13.080 0.925 4.232 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -14.566 1.856 4.016 1.00 0.00 H new ATOM 268 N ARG A 21 -7.645 0.761 0.273 1.00 0.00 N ATOM 269 CA ARG A 21 -7.756 -0.389 -0.616 1.00 0.00 C ATOM 270 C ARG A 21 -6.733 -1.460 -0.251 1.00 0.00 C ATOM 271 O ARG A 21 -7.077 -2.629 -0.083 1.00 0.00 O ATOM 272 CB ARG A 21 -7.561 0.044 -2.071 1.00 0.00 C ATOM 273 CG ARG A 21 -7.357 -1.118 -3.030 1.00 0.00 C ATOM 274 CD ARG A 21 -7.654 -0.713 -4.465 1.00 0.00 C ATOM 275 NE ARG A 21 -7.513 -1.835 -5.390 1.00 0.00 N ATOM 276 CZ ARG A 21 -7.256 -1.692 -6.685 1.00 0.00 C ATOM 277 NH1 ARG A 21 -7.113 -0.481 -7.206 1.00 0.00 N ATOM 278 NH2 ARG A 21 -7.142 -2.761 -7.463 1.00 0.00 N ATOM 0 H ARG A 21 -7.453 1.644 -0.201 1.00 0.00 H new ATOM 0 HA ARG A 21 -8.754 -0.811 -0.500 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -8.430 0.619 -2.390 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -6.700 0.709 -2.131 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -6.330 -1.476 -2.957 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -8.005 -1.946 -2.743 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -8.667 -0.317 -4.528 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -6.979 0.089 -4.763 1.00 0.00 H new ATOM 0 HE ARG A 21 -7.618 -2.780 -5.021 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -7.200 0.343 -6.612 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -6.916 -0.374 -8.201 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -7.252 -3.694 -7.067 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -6.945 -2.649 -8.457 1.00 0.00 H new ATOM 292 N ALA A 22 -5.474 -1.051 -0.131 1.00 0.00 N ATOM 293 CA ALA A 22 -4.401 -1.975 0.215 1.00 0.00 C ATOM 294 C ALA A 22 -4.814 -2.891 1.363 1.00 0.00 C ATOM 295 O ALA A 22 -4.653 -4.109 1.286 1.00 0.00 O ATOM 296 CB ALA A 22 -3.139 -1.206 0.579 1.00 0.00 C ATOM 0 H ALA A 22 -5.172 -0.086 -0.268 1.00 0.00 H new ATOM 0 HA ALA A 22 -4.196 -2.597 -0.656 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -2.346 -1.909 0.835 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -2.825 -0.599 -0.270 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -3.341 -0.559 1.433 1.00 0.00 H new ATOM 302 N ASP A 23 -5.346 -2.297 2.425 1.00 0.00 N ATOM 303 CA ASP A 23 -5.782 -3.060 3.589 1.00 0.00 C ATOM 304 C ASP A 23 -6.710 -4.198 3.176 1.00 0.00 C ATOM 305 O ASP A 23 -6.374 -5.373 3.329 1.00 0.00 O ATOM 306 CB ASP A 23 -6.491 -2.145 4.589 1.00 0.00 C ATOM 307 CG ASP A 23 -6.647 -2.788 5.953 1.00 0.00 C ATOM 308 OD1 ASP A 23 -5.619 -3.004 6.628 1.00 0.00 O ATOM 309 OD2 ASP A 23 -7.797 -3.074 6.345 1.00 0.00 O ATOM 0 H ASP A 23 -5.486 -1.290 2.504 1.00 0.00 H new ATOM 0 HA ASP A 23 -4.899 -3.489 4.063 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -5.928 -1.217 4.690 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -7.475 -1.880 4.201 1.00 0.00 H new ATOM 314 N ARG A 24 -7.878 -3.842 2.652 1.00 0.00 N ATOM 315 CA ARG A 24 -8.855 -4.834 2.219 1.00 0.00 C ATOM 316 C ARG A 24 -8.178 -5.967 1.455 1.00 0.00 C ATOM 317 O ARG A 24 -8.520 -7.138 1.627 1.00 0.00 O ATOM 318 CB ARG A 24 -9.923 -4.179 1.341 1.00 0.00 C ATOM 319 CG ARG A 24 -10.741 -3.121 2.063 1.00 0.00 C ATOM 320 CD ARG A 24 -11.592 -3.731 3.166 1.00 0.00 C ATOM 321 NE ARG A 24 -12.444 -2.737 3.812 1.00 0.00 N ATOM 322 CZ ARG A 24 -13.562 -3.039 4.463 1.00 0.00 C ATOM 323 NH1 ARG A 24 -13.960 -4.301 4.554 1.00 0.00 N ATOM 324 NH2 ARG A 24 -14.284 -2.078 5.026 1.00 0.00 N ATOM 0 H ARG A 24 -8.171 -2.874 2.517 1.00 0.00 H new ATOM 0 HA ARG A 24 -9.330 -5.251 3.107 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -9.441 -3.725 0.475 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -10.594 -4.950 0.964 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -10.074 -2.372 2.489 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -11.384 -2.606 1.349 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -12.212 -4.524 2.749 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -10.944 -4.192 3.911 1.00 0.00 H new ATOM 0 HE ARG A 24 -12.166 -1.757 3.761 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -13.407 -5.042 4.124 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -14.819 -4.530 5.054 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -13.981 -1.106 4.959 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -15.142 -2.311 5.526 1.00 0.00 H new ATOM 338 N LEU A 25 -7.216 -5.612 0.610 1.00 0.00 N ATOM 339 CA LEU A 25 -6.490 -6.599 -0.181 1.00 0.00 C ATOM 340 C LEU A 25 -5.628 -7.486 0.712 1.00 0.00 C ATOM 341 O LEU A 25 -5.607 -8.708 0.557 1.00 0.00 O ATOM 342 CB LEU A 25 -5.614 -5.902 -1.224 1.00 0.00 C ATOM 343 CG LEU A 25 -6.355 -5.221 -2.376 1.00 0.00 C ATOM 344 CD1 LEU A 25 -5.459 -4.198 -3.056 1.00 0.00 C ATOM 345 CD2 LEU A 25 -6.845 -6.255 -3.379 1.00 0.00 C ATOM 0 H LEU A 25 -6.921 -4.648 0.455 1.00 0.00 H new ATOM 0 HA LEU A 25 -7.220 -7.228 -0.690 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -5.006 -5.153 -0.717 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -4.929 -6.638 -1.644 1.00 0.00 H new ATOM 0 HG LEU A 25 -7.222 -4.700 -1.969 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -6.003 -3.724 -3.873 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -5.158 -3.440 -2.333 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -4.573 -4.696 -3.451 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -7.370 -5.753 -4.192 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -5.993 -6.804 -3.781 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -7.523 -6.950 -2.883 1.00 0.00 H new ATOM 357 N LEU A 26 -4.919 -6.864 1.647 1.00 0.00 N ATOM 358 CA LEU A 26 -4.057 -7.597 2.568 1.00 0.00 C ATOM 359 C LEU A 26 -4.807 -8.760 3.207 1.00 0.00 C ATOM 360 O LEU A 26 -4.305 -9.883 3.259 1.00 0.00 O ATOM 361 CB LEU A 26 -3.524 -6.660 3.654 1.00 0.00 C ATOM 362 CG LEU A 26 -2.978 -7.335 4.913 1.00 0.00 C ATOM 363 CD1 LEU A 26 -1.792 -8.223 4.571 1.00 0.00 C ATOM 364 CD2 LEU A 26 -2.585 -6.291 5.949 1.00 0.00 C ATOM 0 H LEU A 26 -4.924 -5.854 1.788 1.00 0.00 H new ATOM 0 HA LEU A 26 -3.218 -7.999 2.000 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -2.732 -6.048 3.222 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -4.326 -5.983 3.948 1.00 0.00 H new ATOM 0 HG LEU A 26 -3.763 -7.961 5.337 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -1.417 -8.695 5.479 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -2.105 -8.992 3.865 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -1.003 -7.619 4.123 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -2.199 -6.789 6.838 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -1.816 -5.639 5.535 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -3.459 -5.697 6.216 1.00 0.00 H new ATOM 376 N ALA A 27 -6.014 -8.485 3.691 1.00 0.00 N ATOM 377 CA ALA A 27 -6.836 -9.510 4.324 1.00 0.00 C ATOM 378 C ALA A 27 -7.092 -10.673 3.371 1.00 0.00 C ATOM 379 O ALA A 27 -7.129 -11.831 3.786 1.00 0.00 O ATOM 380 CB ALA A 27 -8.153 -8.912 4.797 1.00 0.00 C ATOM 0 H ALA A 27 -6.444 -7.561 3.657 1.00 0.00 H new ATOM 0 HA ALA A 27 -6.294 -9.895 5.188 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -8.757 -9.688 5.268 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -7.954 -8.119 5.518 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -8.692 -8.500 3.944 1.00 0.00 H new ATOM 386 N ALA A 28 -7.269 -10.356 2.093 1.00 0.00 N ATOM 387 CA ALA A 28 -7.521 -11.376 1.081 1.00 0.00 C ATOM 388 C ALA A 28 -6.214 -11.938 0.532 1.00 0.00 C ATOM 389 O ALA A 28 -6.183 -12.513 -0.555 1.00 0.00 O ATOM 390 CB ALA A 28 -8.367 -10.803 -0.046 1.00 0.00 C ATOM 0 H ALA A 28 -7.243 -9.402 1.733 1.00 0.00 H new ATOM 0 HA ALA A 28 -8.068 -12.193 1.551 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -8.547 -11.575 -0.794 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -9.320 -10.456 0.354 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -7.841 -9.967 -0.507 1.00 0.00 H new ATOM 396 N GLY A 29 -5.136 -11.767 1.291 1.00 0.00 N ATOM 397 CA GLY A 29 -3.841 -12.263 0.862 1.00 0.00 C ATOM 398 C GLY A 29 -3.447 -11.745 -0.507 1.00 0.00 C ATOM 399 O GLY A 29 -2.693 -12.396 -1.231 1.00 0.00 O ATOM 0 H GLY A 29 -5.136 -11.294 2.195 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -3.084 -11.970 1.590 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -3.861 -13.353 0.843 1.00 0.00 H new ATOM 403 N LYS A 30 -3.958 -10.572 -0.864 1.00 0.00 N ATOM 404 CA LYS A 30 -3.655 -9.967 -2.155 1.00 0.00 C ATOM 405 C LYS A 30 -2.508 -8.969 -2.033 1.00 0.00 C ATOM 406 O LYS A 30 -2.540 -7.895 -2.634 1.00 0.00 O ATOM 407 CB LYS A 30 -4.896 -9.267 -2.717 1.00 0.00 C ATOM 408 CG LYS A 30 -5.988 -10.227 -3.157 1.00 0.00 C ATOM 409 CD LYS A 30 -5.801 -10.659 -4.602 1.00 0.00 C ATOM 410 CE LYS A 30 -7.133 -10.965 -5.269 1.00 0.00 C ATOM 411 NZ LYS A 30 -7.521 -12.394 -5.104 1.00 0.00 N ATOM 0 H LYS A 30 -4.584 -10.021 -0.277 1.00 0.00 H new ATOM 0 HA LYS A 30 -3.352 -10.761 -2.838 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -5.298 -8.595 -1.959 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -4.602 -8.650 -3.566 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -5.985 -11.105 -2.510 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -6.961 -9.750 -3.042 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -5.288 -9.872 -5.155 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -5.163 -11.542 -4.639 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -7.907 -10.327 -4.843 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -7.071 -10.726 -6.331 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -8.434 -12.562 -5.572 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -6.795 -13.003 -5.533 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -7.605 -12.616 -4.092 1.00 0.00 H new ATOM 425 N TYR A 31 -1.495 -9.332 -1.254 1.00 0.00 N ATOM 426 CA TYR A 31 -0.338 -8.468 -1.053 1.00 0.00 C ATOM 427 C TYR A 31 0.006 -7.712 -2.332 1.00 0.00 C ATOM 428 O TYR A 31 -0.098 -6.487 -2.388 1.00 0.00 O ATOM 429 CB TYR A 31 0.866 -9.292 -0.595 1.00 0.00 C ATOM 430 CG TYR A 31 0.578 -10.175 0.599 1.00 0.00 C ATOM 431 CD1 TYR A 31 0.739 -9.698 1.894 1.00 0.00 C ATOM 432 CD2 TYR A 31 0.146 -11.484 0.432 1.00 0.00 C ATOM 433 CE1 TYR A 31 0.477 -10.500 2.988 1.00 0.00 C ATOM 434 CE2 TYR A 31 -0.119 -12.293 1.519 1.00 0.00 C ATOM 435 CZ TYR A 31 0.048 -11.797 2.795 1.00 0.00 C ATOM 436 OH TYR A 31 -0.213 -12.600 3.882 1.00 0.00 O ATOM 0 H TYR A 31 -1.452 -10.219 -0.752 1.00 0.00 H new ATOM 0 HA TYR A 31 -0.589 -7.742 -0.280 1.00 0.00 H new ATOM 0 HB2 TYR A 31 1.206 -9.914 -1.423 1.00 0.00 H new ATOM 0 HB3 TYR A 31 1.685 -8.616 -0.347 1.00 0.00 H new ATOM 0 HD1 TYR A 31 1.075 -8.683 2.048 1.00 0.00 H new ATOM 0 HD2 TYR A 31 0.015 -11.876 -0.566 1.00 0.00 H new ATOM 0 HE1 TYR A 31 0.607 -10.114 3.988 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -0.455 -13.309 1.371 1.00 0.00 H new ATOM 0 HH TYR A 31 -0.507 -13.483 3.574 1.00 0.00 H new ATOM 446 N GLU A 32 0.415 -8.452 -3.358 1.00 0.00 N ATOM 447 CA GLU A 32 0.775 -7.851 -4.637 1.00 0.00 C ATOM 448 C GLU A 32 -0.150 -6.684 -4.969 1.00 0.00 C ATOM 449 O GLU A 32 0.307 -5.571 -5.229 1.00 0.00 O ATOM 450 CB GLU A 32 0.714 -8.897 -5.752 1.00 0.00 C ATOM 451 CG GLU A 32 1.415 -8.467 -7.029 1.00 0.00 C ATOM 452 CD GLU A 32 0.555 -7.565 -7.892 1.00 0.00 C ATOM 453 OE1 GLU A 32 -0.606 -7.936 -8.166 1.00 0.00 O ATOM 454 OE2 GLU A 32 1.043 -6.488 -8.293 1.00 0.00 O ATOM 0 H GLU A 32 0.505 -9.468 -3.328 1.00 0.00 H new ATOM 0 HA GLU A 32 1.794 -7.473 -4.558 1.00 0.00 H new ATOM 0 HB2 GLU A 32 1.164 -9.823 -5.395 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -0.330 -9.116 -5.977 1.00 0.00 H new ATOM 0 HG2 GLU A 32 2.339 -7.947 -6.774 1.00 0.00 H new ATOM 0 HG3 GLU A 32 1.695 -9.352 -7.601 1.00 0.00 H new ATOM 461 N GLU A 33 -1.453 -6.947 -4.959 1.00 0.00 N ATOM 462 CA GLU A 33 -2.442 -5.919 -5.260 1.00 0.00 C ATOM 463 C GLU A 33 -2.159 -4.644 -4.472 1.00 0.00 C ATOM 464 O GLU A 33 -2.127 -3.549 -5.033 1.00 0.00 O ATOM 465 CB GLU A 33 -3.851 -6.426 -4.942 1.00 0.00 C ATOM 466 CG GLU A 33 -4.259 -7.641 -5.758 1.00 0.00 C ATOM 467 CD GLU A 33 -4.096 -7.423 -7.250 1.00 0.00 C ATOM 468 OE1 GLU A 33 -4.150 -6.255 -7.688 1.00 0.00 O ATOM 469 OE2 GLU A 33 -3.914 -8.420 -7.979 1.00 0.00 O ATOM 0 H GLU A 33 -1.848 -7.863 -4.746 1.00 0.00 H new ATOM 0 HA GLU A 33 -2.377 -5.690 -6.324 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -3.908 -6.675 -3.882 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -4.566 -5.623 -5.120 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -3.659 -8.498 -5.452 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -5.299 -7.887 -5.542 1.00 0.00 H new ATOM 476 N ALA A 34 -1.954 -4.795 -3.168 1.00 0.00 N ATOM 477 CA ALA A 34 -1.672 -3.656 -2.302 1.00 0.00 C ATOM 478 C ALA A 34 -0.341 -3.007 -2.665 1.00 0.00 C ATOM 479 O ALA A 34 -0.243 -1.784 -2.767 1.00 0.00 O ATOM 480 CB ALA A 34 -1.670 -4.090 -0.843 1.00 0.00 C ATOM 0 H ALA A 34 -1.978 -5.695 -2.688 1.00 0.00 H new ATOM 0 HA ALA A 34 -2.459 -2.916 -2.448 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -1.458 -3.230 -0.208 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -2.646 -4.501 -0.584 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -0.904 -4.851 -0.691 1.00 0.00 H new ATOM 486 N ILE A 35 0.682 -3.834 -2.857 1.00 0.00 N ATOM 487 CA ILE A 35 2.007 -3.339 -3.209 1.00 0.00 C ATOM 488 C ILE A 35 1.916 -2.148 -4.156 1.00 0.00 C ATOM 489 O ILE A 35 2.420 -1.065 -3.859 1.00 0.00 O ATOM 490 CB ILE A 35 2.863 -4.439 -3.866 1.00 0.00 C ATOM 491 CG1 ILE A 35 3.095 -5.589 -2.884 1.00 0.00 C ATOM 492 CG2 ILE A 35 4.189 -3.865 -4.341 1.00 0.00 C ATOM 493 CD1 ILE A 35 3.834 -6.761 -3.491 1.00 0.00 C ATOM 0 H ILE A 35 0.618 -4.849 -2.775 1.00 0.00 H new ATOM 0 HA ILE A 35 2.483 -3.025 -2.280 1.00 0.00 H new ATOM 0 HB ILE A 35 2.327 -4.828 -4.732 1.00 0.00 H new ATOM 0 HG12 ILE A 35 3.659 -5.218 -2.029 1.00 0.00 H new ATOM 0 HG13 ILE A 35 2.132 -5.933 -2.506 1.00 0.00 H new ATOM 0 HG21 ILE A 35 4.782 -4.654 -4.803 1.00 0.00 H new ATOM 0 HG22 ILE A 35 4.004 -3.076 -5.070 1.00 0.00 H new ATOM 0 HG23 ILE A 35 4.732 -3.453 -3.491 1.00 0.00 H new ATOM 0 HD11 ILE A 35 3.963 -7.539 -2.738 1.00 0.00 H new ATOM 0 HD12 ILE A 35 3.261 -7.158 -4.329 1.00 0.00 H new ATOM 0 HD13 ILE A 35 4.811 -6.432 -3.844 1.00 0.00 H new ATOM 505 N SER A 36 1.267 -2.355 -5.298 1.00 0.00 N ATOM 506 CA SER A 36 1.111 -1.299 -6.291 1.00 0.00 C ATOM 507 C SER A 36 0.378 -0.099 -5.697 1.00 0.00 C ATOM 508 O SER A 36 0.906 1.013 -5.670 1.00 0.00 O ATOM 509 CB SER A 36 0.350 -1.824 -7.510 1.00 0.00 C ATOM 510 OG SER A 36 -0.911 -2.351 -7.135 1.00 0.00 O ATOM 0 H SER A 36 0.841 -3.245 -5.558 1.00 0.00 H new ATOM 0 HA SER A 36 2.105 -0.978 -6.603 1.00 0.00 H new ATOM 0 HB2 SER A 36 0.211 -1.018 -8.231 1.00 0.00 H new ATOM 0 HB3 SER A 36 0.938 -2.597 -8.005 1.00 0.00 H new ATOM 0 HG SER A 36 -0.830 -2.813 -6.275 1.00 0.00 H new ATOM 516 N CYS A 37 -0.840 -0.334 -5.224 1.00 0.00 N ATOM 517 CA CYS A 37 -1.647 0.727 -4.631 1.00 0.00 C ATOM 518 C CYS A 37 -0.771 1.715 -3.868 1.00 0.00 C ATOM 519 O CYS A 37 -0.993 2.925 -3.919 1.00 0.00 O ATOM 520 CB CYS A 37 -2.700 0.132 -3.695 1.00 0.00 C ATOM 521 SG CYS A 37 -4.210 1.118 -3.559 1.00 0.00 S ATOM 0 H CYS A 37 -1.291 -1.249 -5.239 1.00 0.00 H new ATOM 0 HA CYS A 37 -2.149 1.262 -5.437 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -2.961 -0.866 -4.047 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -2.264 0.016 -2.703 1.00 0.00 H new ATOM 0 HG CYS A 37 -4.473 1.338 -2.305 1.00 0.00 H new ATOM 527 N HIS A 38 0.224 1.191 -3.160 1.00 0.00 N ATOM 528 CA HIS A 38 1.134 2.028 -2.386 1.00 0.00 C ATOM 529 C HIS A 38 2.028 2.855 -3.305 1.00 0.00 C ATOM 530 O HIS A 38 2.164 4.066 -3.129 1.00 0.00 O ATOM 531 CB HIS A 38 1.993 1.164 -1.462 1.00 0.00 C ATOM 532 CG HIS A 38 1.324 0.824 -0.165 1.00 0.00 C ATOM 533 ND1 HIS A 38 0.598 1.738 0.568 1.00 0.00 N ATOM 534 CD2 HIS A 38 1.274 -0.337 0.527 1.00 0.00 C ATOM 535 CE1 HIS A 38 0.130 1.154 1.657 1.00 0.00 C ATOM 536 NE2 HIS A 38 0.526 -0.107 1.655 1.00 0.00 N ATOM 0 H HIS A 38 0.421 0.192 -3.106 1.00 0.00 H new ATOM 0 HA HIS A 38 0.535 2.710 -1.782 1.00 0.00 H new ATOM 0 HB2 HIS A 38 2.253 0.241 -1.980 1.00 0.00 H new ATOM 0 HB3 HIS A 38 2.926 1.687 -1.254 1.00 0.00 H new ATOM 0 HD2 HIS A 38 1.736 -1.271 0.245 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -0.473 1.626 2.418 1.00 0.00 H new ATOM 0 HE2 HIS A 38 0.311 -0.797 2.375 1.00 0.00 H new ATOM 545 N ARG A 39 2.635 2.193 -4.284 1.00 0.00 N ATOM 546 CA ARG A 39 3.517 2.867 -5.230 1.00 0.00 C ATOM 547 C ARG A 39 2.761 3.937 -6.010 1.00 0.00 C ATOM 548 O ARG A 39 3.256 5.048 -6.201 1.00 0.00 O ATOM 549 CB ARG A 39 4.132 1.854 -6.197 1.00 0.00 C ATOM 550 CG ARG A 39 5.039 0.839 -5.521 1.00 0.00 C ATOM 551 CD ARG A 39 5.756 -0.033 -6.540 1.00 0.00 C ATOM 552 NE ARG A 39 7.032 0.544 -6.953 1.00 0.00 N ATOM 553 CZ ARG A 39 7.659 0.215 -8.077 1.00 0.00 C ATOM 554 NH1 ARG A 39 7.129 -0.683 -8.896 1.00 0.00 N ATOM 555 NH2 ARG A 39 8.817 0.784 -8.384 1.00 0.00 N ATOM 0 H ARG A 39 2.533 1.191 -4.443 1.00 0.00 H new ATOM 0 HA ARG A 39 4.314 3.349 -4.665 1.00 0.00 H new ATOM 0 HB2 ARG A 39 3.331 1.325 -6.714 1.00 0.00 H new ATOM 0 HB3 ARG A 39 4.702 2.389 -6.956 1.00 0.00 H new ATOM 0 HG2 ARG A 39 5.773 1.359 -4.905 1.00 0.00 H new ATOM 0 HG3 ARG A 39 4.450 0.211 -4.853 1.00 0.00 H new ATOM 0 HD2 ARG A 39 5.926 -1.022 -6.115 1.00 0.00 H new ATOM 0 HD3 ARG A 39 5.119 -0.167 -7.414 1.00 0.00 H new ATOM 0 HE ARG A 39 7.466 1.238 -6.345 1.00 0.00 H new ATOM 0 HH11 ARG A 39 6.238 -1.122 -8.663 1.00 0.00 H new ATOM 0 HH12 ARG A 39 7.612 -0.934 -9.759 1.00 0.00 H new ATOM 0 HH21 ARG A 39 9.228 1.475 -7.757 1.00 0.00 H new ATOM 0 HH22 ARG A 39 9.297 0.530 -9.247 1.00 0.00 H new ATOM 569 N LYS A 40 1.558 3.596 -6.461 1.00 0.00 N ATOM 570 CA LYS A 40 0.732 4.527 -7.220 1.00 0.00 C ATOM 571 C LYS A 40 0.512 5.819 -6.441 1.00 0.00 C ATOM 572 O LYS A 40 0.675 6.914 -6.978 1.00 0.00 O ATOM 573 CB LYS A 40 -0.616 3.886 -7.558 1.00 0.00 C ATOM 574 CG LYS A 40 -0.497 2.482 -8.125 1.00 0.00 C ATOM 575 CD LYS A 40 -1.687 2.132 -9.002 1.00 0.00 C ATOM 576 CE LYS A 40 -2.860 1.626 -8.175 1.00 0.00 C ATOM 577 NZ LYS A 40 -3.523 2.727 -7.423 1.00 0.00 N ATOM 0 H LYS A 40 1.133 2.680 -6.313 1.00 0.00 H new ATOM 0 HA LYS A 40 1.255 4.767 -8.146 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -1.230 3.854 -6.658 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -1.138 4.516 -8.278 1.00 0.00 H new ATOM 0 HG2 LYS A 40 0.421 2.400 -8.707 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -0.422 1.764 -7.308 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -1.993 3.011 -9.570 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -1.396 1.371 -9.726 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -3.586 1.145 -8.830 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -2.511 0.867 -7.475 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -4.546 2.547 -7.375 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -3.134 2.773 -6.460 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -3.353 3.631 -7.909 1.00 0.00 H new ATOM 591 N ALA A 41 0.141 5.684 -5.172 1.00 0.00 N ATOM 592 CA ALA A 41 -0.098 6.841 -4.318 1.00 0.00 C ATOM 593 C ALA A 41 1.178 7.652 -4.123 1.00 0.00 C ATOM 594 O ALA A 41 1.243 8.826 -4.490 1.00 0.00 O ATOM 595 CB ALA A 41 -0.655 6.398 -2.973 1.00 0.00 C ATOM 0 H ALA A 41 -0.001 4.784 -4.713 1.00 0.00 H new ATOM 0 HA ALA A 41 -0.832 7.480 -4.810 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -0.829 7.272 -2.345 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -1.595 5.868 -3.125 1.00 0.00 H new ATOM 0 HB3 ALA A 41 0.059 5.736 -2.484 1.00 0.00 H new ATOM 601 N THR A 42 2.193 7.020 -3.542 1.00 0.00 N ATOM 602 CA THR A 42 3.467 7.683 -3.296 1.00 0.00 C ATOM 603 C THR A 42 3.822 8.632 -4.435 1.00 0.00 C ATOM 604 O THR A 42 4.107 9.809 -4.212 1.00 0.00 O ATOM 605 CB THR A 42 4.607 6.663 -3.119 1.00 0.00 C ATOM 606 OG1 THR A 42 4.573 5.702 -4.180 1.00 0.00 O ATOM 607 CG2 THR A 42 4.494 5.951 -1.779 1.00 0.00 C ATOM 0 H THR A 42 2.157 6.049 -3.233 1.00 0.00 H new ATOM 0 HA THR A 42 3.353 8.253 -2.374 1.00 0.00 H new ATOM 0 HB THR A 42 5.554 7.202 -3.147 1.00 0.00 H new ATOM 0 HG1 THR A 42 3.731 5.789 -4.674 1.00 0.00 H new ATOM 0 HG21 THR A 42 5.310 5.236 -1.677 1.00 0.00 H new ATOM 0 HG22 THR A 42 4.550 6.682 -0.973 1.00 0.00 H new ATOM 0 HG23 THR A 42 3.541 5.424 -1.726 1.00 0.00 H new ATOM 615 N THR A 43 3.802 8.113 -5.659 1.00 0.00 N ATOM 616 CA THR A 43 4.121 8.914 -6.834 1.00 0.00 C ATOM 617 C THR A 43 3.369 10.240 -6.818 1.00 0.00 C ATOM 618 O THR A 43 3.977 11.310 -6.848 1.00 0.00 O ATOM 619 CB THR A 43 3.784 8.162 -8.136 1.00 0.00 C ATOM 620 OG1 THR A 43 4.426 6.882 -8.142 1.00 0.00 O ATOM 621 CG2 THR A 43 4.225 8.961 -9.352 1.00 0.00 C ATOM 0 H THR A 43 3.568 7.141 -5.862 1.00 0.00 H new ATOM 0 HA THR A 43 5.193 9.107 -6.801 1.00 0.00 H new ATOM 0 HB THR A 43 2.703 8.027 -8.182 1.00 0.00 H new ATOM 0 HG1 THR A 43 3.935 6.267 -7.559 1.00 0.00 H new ATOM 0 HG21 THR A 43 3.977 8.410 -10.259 1.00 0.00 H new ATOM 0 HG22 THR A 43 3.713 9.923 -9.360 1.00 0.00 H new ATOM 0 HG23 THR A 43 5.302 9.123 -9.310 1.00 0.00 H new ATOM 629 N TYR A 44 2.044 10.162 -6.768 1.00 0.00 N ATOM 630 CA TYR A 44 1.208 11.357 -6.748 1.00 0.00 C ATOM 631 C TYR A 44 1.686 12.338 -5.682 1.00 0.00 C ATOM 632 O TYR A 44 1.741 13.547 -5.914 1.00 0.00 O ATOM 633 CB TYR A 44 -0.252 10.979 -6.493 1.00 0.00 C ATOM 634 CG TYR A 44 -1.142 12.166 -6.201 1.00 0.00 C ATOM 635 CD1 TYR A 44 -1.141 13.280 -7.032 1.00 0.00 C ATOM 636 CD2 TYR A 44 -1.983 12.174 -5.096 1.00 0.00 C ATOM 637 CE1 TYR A 44 -1.952 14.367 -6.769 1.00 0.00 C ATOM 638 CE2 TYR A 44 -2.798 13.256 -4.826 1.00 0.00 C ATOM 639 CZ TYR A 44 -2.779 14.350 -5.665 1.00 0.00 C ATOM 640 OH TYR A 44 -3.589 15.430 -5.399 1.00 0.00 O ATOM 0 H TYR A 44 1.525 9.284 -6.741 1.00 0.00 H new ATOM 0 HA TYR A 44 1.286 11.841 -7.722 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -0.639 10.451 -7.364 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -0.298 10.286 -5.653 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -0.496 13.296 -7.898 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -2.000 11.319 -4.436 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -1.939 15.225 -7.424 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -3.447 13.245 -3.962 1.00 0.00 H new ATOM 0 HH TYR A 44 -3.834 15.870 -6.240 1.00 0.00 H new ATOM 650 N LEU A 45 2.029 11.810 -4.513 1.00 0.00 N ATOM 651 CA LEU A 45 2.503 12.637 -3.409 1.00 0.00 C ATOM 652 C LEU A 45 3.785 13.372 -3.790 1.00 0.00 C ATOM 653 O LEU A 45 3.913 14.575 -3.566 1.00 0.00 O ATOM 654 CB LEU A 45 2.745 11.777 -2.168 1.00 0.00 C ATOM 655 CG LEU A 45 1.495 11.324 -1.411 1.00 0.00 C ATOM 656 CD1 LEU A 45 1.872 10.404 -0.261 1.00 0.00 C ATOM 657 CD2 LEU A 45 0.716 12.528 -0.900 1.00 0.00 C ATOM 0 H LEU A 45 1.988 10.812 -4.305 1.00 0.00 H new ATOM 0 HA LEU A 45 1.734 13.377 -3.186 1.00 0.00 H new ATOM 0 HB2 LEU A 45 3.305 10.891 -2.468 1.00 0.00 H new ATOM 0 HB3 LEU A 45 3.379 12.337 -1.480 1.00 0.00 H new ATOM 0 HG LEU A 45 0.858 10.769 -2.099 1.00 0.00 H new ATOM 0 HD11 LEU A 45 0.970 10.092 0.266 1.00 0.00 H new ATOM 0 HD12 LEU A 45 2.387 9.526 -0.651 1.00 0.00 H new ATOM 0 HD13 LEU A 45 2.530 10.934 0.428 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -0.170 12.187 -0.364 1.00 0.00 H new ATOM 0 HD22 LEU A 45 1.346 13.110 -0.227 1.00 0.00 H new ATOM 0 HD23 LEU A 45 0.414 13.150 -1.743 1.00 0.00 H new ATOM 669 N SER A 46 4.731 12.639 -4.369 1.00 0.00 N ATOM 670 CA SER A 46 6.003 13.220 -4.781 1.00 0.00 C ATOM 671 C SER A 46 5.787 14.334 -5.801 1.00 0.00 C ATOM 672 O SER A 46 6.512 15.328 -5.811 1.00 0.00 O ATOM 673 CB SER A 46 6.913 12.142 -5.371 1.00 0.00 C ATOM 674 OG SER A 46 8.279 12.459 -5.166 1.00 0.00 O ATOM 0 H SER A 46 4.640 11.642 -4.563 1.00 0.00 H new ATOM 0 HA SER A 46 6.482 13.647 -3.899 1.00 0.00 H new ATOM 0 HB2 SER A 46 6.687 11.180 -4.912 1.00 0.00 H new ATOM 0 HB3 SER A 46 6.716 12.040 -6.438 1.00 0.00 H new ATOM 0 HG SER A 46 8.840 11.753 -5.551 1.00 0.00 H new ATOM 680 N GLU A 47 4.785 14.158 -6.656 1.00 0.00 N ATOM 681 CA GLU A 47 4.474 15.148 -7.681 1.00 0.00 C ATOM 682 C GLU A 47 3.988 16.450 -7.051 1.00 0.00 C ATOM 683 O GLU A 47 4.373 17.539 -7.474 1.00 0.00 O ATOM 684 CB GLU A 47 3.413 14.605 -8.641 1.00 0.00 C ATOM 685 CG GLU A 47 3.936 13.535 -9.584 1.00 0.00 C ATOM 686 CD GLU A 47 4.665 14.117 -10.780 1.00 0.00 C ATOM 687 OE1 GLU A 47 4.075 14.968 -11.477 1.00 0.00 O ATOM 688 OE2 GLU A 47 5.825 13.721 -11.018 1.00 0.00 O ATOM 0 H GLU A 47 4.175 13.340 -6.660 1.00 0.00 H new ATOM 0 HA GLU A 47 5.387 15.354 -8.239 1.00 0.00 H new ATOM 0 HB2 GLU A 47 2.587 14.194 -8.061 1.00 0.00 H new ATOM 0 HB3 GLU A 47 3.010 15.430 -9.229 1.00 0.00 H new ATOM 0 HG2 GLU A 47 4.610 12.874 -9.039 1.00 0.00 H new ATOM 0 HG3 GLU A 47 3.103 12.925 -9.933 1.00 0.00 H new ATOM 695 N ALA A 48 3.138 16.327 -6.037 1.00 0.00 N ATOM 696 CA ALA A 48 2.599 17.493 -5.347 1.00 0.00 C ATOM 697 C ALA A 48 3.714 18.322 -4.718 1.00 0.00 C ATOM 698 O ALA A 48 3.875 19.501 -5.032 1.00 0.00 O ATOM 699 CB ALA A 48 1.597 17.062 -4.286 1.00 0.00 C ATOM 0 H ALA A 48 2.808 15.432 -5.675 1.00 0.00 H new ATOM 0 HA ALA A 48 2.088 18.116 -6.082 1.00 0.00 H new ATOM 0 HB1 ALA A 48 1.203 17.943 -3.779 1.00 0.00 H new ATOM 0 HB2 ALA A 48 0.779 16.518 -4.758 1.00 0.00 H new ATOM 0 HB3 ALA A 48 2.091 16.416 -3.560 1.00 0.00 H new ATOM 705 N MET A 49 4.479 17.699 -3.829 1.00 0.00 N ATOM 706 CA MET A 49 5.579 18.381 -3.157 1.00 0.00 C ATOM 707 C MET A 49 6.549 18.979 -4.171 1.00 0.00 C ATOM 708 O MET A 49 7.160 20.019 -3.923 1.00 0.00 O ATOM 709 CB MET A 49 6.321 17.412 -2.235 1.00 0.00 C ATOM 710 CG MET A 49 6.868 16.188 -2.952 1.00 0.00 C ATOM 711 SD MET A 49 7.656 15.018 -1.829 1.00 0.00 S ATOM 712 CE MET A 49 6.572 15.131 -0.408 1.00 0.00 C ATOM 0 H MET A 49 4.358 16.723 -3.557 1.00 0.00 H new ATOM 0 HA MET A 49 5.160 19.191 -2.560 1.00 0.00 H new ATOM 0 HB2 MET A 49 7.145 17.940 -1.755 1.00 0.00 H new ATOM 0 HB3 MET A 49 5.646 17.087 -1.443 1.00 0.00 H new ATOM 0 HG2 MET A 49 6.056 15.688 -3.480 1.00 0.00 H new ATOM 0 HG3 MET A 49 7.590 16.505 -3.705 1.00 0.00 H new ATOM 0 HE1 MET A 49 6.721 14.262 0.233 1.00 0.00 H new ATOM 0 HE2 MET A 49 6.799 16.038 0.152 1.00 0.00 H new ATOM 0 HE3 MET A 49 5.535 15.161 -0.743 1.00 0.00 H new ATOM 722 N LYS A 50 6.686 18.316 -5.314 1.00 0.00 N ATOM 723 CA LYS A 50 7.581 18.782 -6.367 1.00 0.00 C ATOM 724 C LYS A 50 7.076 20.088 -6.972 1.00 0.00 C ATOM 725 O LYS A 50 7.831 20.820 -7.612 1.00 0.00 O ATOM 726 CB LYS A 50 7.712 17.719 -7.460 1.00 0.00 C ATOM 727 CG LYS A 50 8.752 16.655 -7.152 1.00 0.00 C ATOM 728 CD LYS A 50 8.670 15.495 -8.131 1.00 0.00 C ATOM 729 CE LYS A 50 9.473 15.774 -9.393 1.00 0.00 C ATOM 730 NZ LYS A 50 10.881 15.305 -9.269 1.00 0.00 N ATOM 0 H LYS A 50 6.188 17.454 -5.535 1.00 0.00 H new ATOM 0 HA LYS A 50 8.560 18.962 -5.924 1.00 0.00 H new ATOM 0 HB2 LYS A 50 6.745 17.238 -7.605 1.00 0.00 H new ATOM 0 HB3 LYS A 50 7.970 18.206 -8.400 1.00 0.00 H new ATOM 0 HG2 LYS A 50 9.748 17.096 -7.192 1.00 0.00 H new ATOM 0 HG3 LYS A 50 8.607 16.286 -6.137 1.00 0.00 H new ATOM 0 HD2 LYS A 50 9.042 14.588 -7.654 1.00 0.00 H new ATOM 0 HD3 LYS A 50 7.628 15.312 -8.394 1.00 0.00 H new ATOM 0 HE2 LYS A 50 8.999 15.281 -10.242 1.00 0.00 H new ATOM 0 HE3 LYS A 50 9.463 16.844 -9.600 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 11.395 15.513 -10.149 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 11.341 15.794 -8.475 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 10.891 14.279 -9.096 1.00 0.00 H new ATOM 744 N LEU A 51 5.796 20.375 -6.763 1.00 0.00 N ATOM 745 CA LEU A 51 5.190 21.594 -7.286 1.00 0.00 C ATOM 746 C LEU A 51 5.198 22.700 -6.236 1.00 0.00 C ATOM 747 O LEU A 51 5.746 23.780 -6.459 1.00 0.00 O ATOM 748 CB LEU A 51 3.756 21.319 -7.743 1.00 0.00 C ATOM 749 CG LEU A 51 3.588 20.881 -9.198 1.00 0.00 C ATOM 750 CD1 LEU A 51 4.153 19.484 -9.403 1.00 0.00 C ATOM 751 CD2 LEU A 51 2.122 20.930 -9.604 1.00 0.00 C ATOM 0 H LEU A 51 5.158 19.780 -6.235 1.00 0.00 H new ATOM 0 HA LEU A 51 5.780 21.926 -8.141 1.00 0.00 H new ATOM 0 HB2 LEU A 51 3.333 20.546 -7.101 1.00 0.00 H new ATOM 0 HB3 LEU A 51 3.166 22.222 -7.586 1.00 0.00 H new ATOM 0 HG LEU A 51 4.143 21.572 -9.832 1.00 0.00 H new ATOM 0 HD11 LEU A 51 4.025 19.189 -10.444 1.00 0.00 H new ATOM 0 HD12 LEU A 51 5.214 19.480 -9.153 1.00 0.00 H new ATOM 0 HD13 LEU A 51 3.626 18.780 -8.759 1.00 0.00 H new ATOM 0 HD21 LEU A 51 2.021 20.615 -10.643 1.00 0.00 H new ATOM 0 HD22 LEU A 51 1.545 20.262 -8.965 1.00 0.00 H new ATOM 0 HD23 LEU A 51 1.748 21.948 -9.496 1.00 0.00 H new ATOM 763 N THR A 52 4.587 22.423 -5.088 1.00 0.00 N ATOM 764 CA THR A 52 4.524 23.394 -4.002 1.00 0.00 C ATOM 765 C THR A 52 5.914 23.903 -3.639 1.00 0.00 C ATOM 766 O THR A 52 6.835 23.117 -3.417 1.00 0.00 O ATOM 767 CB THR A 52 3.867 22.790 -2.746 1.00 0.00 C ATOM 768 OG1 THR A 52 3.431 23.836 -1.871 1.00 0.00 O ATOM 769 CG2 THR A 52 4.839 21.879 -2.012 1.00 0.00 C ATOM 0 H THR A 52 4.129 21.534 -4.886 1.00 0.00 H new ATOM 0 HA THR A 52 3.916 24.226 -4.357 1.00 0.00 H new ATOM 0 HB THR A 52 3.007 22.198 -3.061 1.00 0.00 H new ATOM 0 HG1 THR A 52 2.752 23.487 -1.257 1.00 0.00 H new ATOM 0 HG21 THR A 52 4.353 21.464 -1.129 1.00 0.00 H new ATOM 0 HG22 THR A 52 5.146 21.068 -2.672 1.00 0.00 H new ATOM 0 HG23 THR A 52 5.716 22.451 -1.708 1.00 0.00 H new ATOM 777 N GLU A 53 6.059 25.223 -3.579 1.00 0.00 N ATOM 778 CA GLU A 53 7.338 25.837 -3.243 1.00 0.00 C ATOM 779 C GLU A 53 7.464 26.041 -1.736 1.00 0.00 C ATOM 780 O GLU A 53 8.561 25.977 -1.179 1.00 0.00 O ATOM 781 CB GLU A 53 7.492 27.177 -3.965 1.00 0.00 C ATOM 782 CG GLU A 53 8.913 27.715 -3.953 1.00 0.00 C ATOM 783 CD GLU A 53 8.964 29.230 -3.994 1.00 0.00 C ATOM 784 OE1 GLU A 53 8.877 29.855 -2.916 1.00 0.00 O ATOM 785 OE2 GLU A 53 9.089 29.790 -5.102 1.00 0.00 O ATOM 0 H GLU A 53 5.306 25.888 -3.759 1.00 0.00 H new ATOM 0 HA GLU A 53 8.131 25.164 -3.569 1.00 0.00 H new ATOM 0 HB2 GLU A 53 7.164 27.063 -4.998 1.00 0.00 H new ATOM 0 HB3 GLU A 53 6.831 27.909 -3.500 1.00 0.00 H new ATOM 0 HG2 GLU A 53 9.423 27.362 -3.057 1.00 0.00 H new ATOM 0 HG3 GLU A 53 9.457 27.314 -4.808 1.00 0.00 H new ATOM 792 N SER A 54 6.334 26.287 -1.081 1.00 0.00 N ATOM 793 CA SER A 54 6.317 26.505 0.360 1.00 0.00 C ATOM 794 C SER A 54 7.038 25.375 1.089 1.00 0.00 C ATOM 795 O SER A 54 7.219 24.287 0.543 1.00 0.00 O ATOM 796 CB SER A 54 4.877 26.615 0.864 1.00 0.00 C ATOM 797 OG SER A 54 4.842 26.905 2.251 1.00 0.00 O ATOM 0 H SER A 54 5.418 26.340 -1.526 1.00 0.00 H new ATOM 0 HA SER A 54 6.839 27.439 0.567 1.00 0.00 H new ATOM 0 HB2 SER A 54 4.354 27.397 0.313 1.00 0.00 H new ATOM 0 HB3 SER A 54 4.349 25.681 0.671 1.00 0.00 H new ATOM 0 HG SER A 54 3.910 26.972 2.548 1.00 0.00 H new ATOM 803 N GLU A 55 7.447 25.642 2.325 1.00 0.00 N ATOM 804 CA GLU A 55 8.149 24.648 3.129 1.00 0.00 C ATOM 805 C GLU A 55 7.161 23.743 3.859 1.00 0.00 C ATOM 806 O GLU A 55 7.109 22.538 3.613 1.00 0.00 O ATOM 807 CB GLU A 55 9.071 25.335 4.139 1.00 0.00 C ATOM 808 CG GLU A 55 9.827 24.364 5.030 1.00 0.00 C ATOM 809 CD GLU A 55 10.351 25.019 6.293 1.00 0.00 C ATOM 810 OE1 GLU A 55 11.183 25.944 6.182 1.00 0.00 O ATOM 811 OE2 GLU A 55 9.928 24.607 7.394 1.00 0.00 O ATOM 0 H GLU A 55 7.305 26.538 2.792 1.00 0.00 H new ATOM 0 HA GLU A 55 8.750 24.034 2.458 1.00 0.00 H new ATOM 0 HB2 GLU A 55 9.788 25.955 3.601 1.00 0.00 H new ATOM 0 HB3 GLU A 55 8.478 26.003 4.764 1.00 0.00 H new ATOM 0 HG2 GLU A 55 9.170 23.537 5.300 1.00 0.00 H new ATOM 0 HG3 GLU A 55 10.662 23.939 4.472 1.00 0.00 H new ATOM 818 N GLN A 56 6.380 24.333 4.759 1.00 0.00 N ATOM 819 CA GLN A 56 5.395 23.580 5.526 1.00 0.00 C ATOM 820 C GLN A 56 4.674 22.567 4.641 1.00 0.00 C ATOM 821 O GLN A 56 4.757 21.361 4.868 1.00 0.00 O ATOM 822 CB GLN A 56 4.381 24.529 6.165 1.00 0.00 C ATOM 823 CG GLN A 56 4.833 25.092 7.503 1.00 0.00 C ATOM 824 CD GLN A 56 4.841 24.048 8.602 1.00 0.00 C ATOM 825 OE1 GLN A 56 5.849 23.853 9.282 1.00 0.00 O ATOM 826 NE2 GLN A 56 3.713 23.371 8.784 1.00 0.00 N ATOM 0 H GLN A 56 6.411 25.330 4.974 1.00 0.00 H new ATOM 0 HA GLN A 56 5.921 23.039 6.312 1.00 0.00 H new ATOM 0 HB2 GLN A 56 4.187 25.354 5.480 1.00 0.00 H new ATOM 0 HB3 GLN A 56 3.438 24.000 6.303 1.00 0.00 H new ATOM 0 HG2 GLN A 56 5.834 25.511 7.397 1.00 0.00 H new ATOM 0 HG3 GLN A 56 4.173 25.911 7.790 1.00 0.00 H new ATOM 0 HE21 GLN A 56 2.901 23.565 8.197 1.00 0.00 H new ATOM 0 HE22 GLN A 56 3.658 22.657 9.510 1.00 0.00 H new ATOM 835 N ALA A 57 3.967 23.068 3.633 1.00 0.00 N ATOM 836 CA ALA A 57 3.233 22.207 2.714 1.00 0.00 C ATOM 837 C ALA A 57 4.047 20.969 2.352 1.00 0.00 C ATOM 838 O ALA A 57 3.596 19.840 2.544 1.00 0.00 O ATOM 839 CB ALA A 57 2.855 22.978 1.457 1.00 0.00 C ATOM 0 H ALA A 57 3.887 24.065 3.432 1.00 0.00 H new ATOM 0 HA ALA A 57 2.322 21.877 3.214 1.00 0.00 H new ATOM 0 HB1 ALA A 57 2.307 22.323 0.779 1.00 0.00 H new ATOM 0 HB2 ALA A 57 2.228 23.828 1.726 1.00 0.00 H new ATOM 0 HB3 ALA A 57 3.759 23.336 0.964 1.00 0.00 H new ATOM 845 N HIS A 58 5.249 21.189 1.827 1.00 0.00 N ATOM 846 CA HIS A 58 6.126 20.091 1.439 1.00 0.00 C ATOM 847 C HIS A 58 6.359 19.141 2.610 1.00 0.00 C ATOM 848 O HIS A 58 6.215 17.925 2.475 1.00 0.00 O ATOM 849 CB HIS A 58 7.463 20.632 0.932 1.00 0.00 C ATOM 850 CG HIS A 58 8.500 19.571 0.727 1.00 0.00 C ATOM 851 ND1 HIS A 58 8.926 18.730 1.733 1.00 0.00 N ATOM 852 CD2 HIS A 58 9.196 19.216 -0.379 1.00 0.00 C ATOM 853 CE1 HIS A 58 9.840 17.905 1.256 1.00 0.00 C ATOM 854 NE2 HIS A 58 10.022 18.178 -0.023 1.00 0.00 N ATOM 0 H HIS A 58 5.637 22.118 1.661 1.00 0.00 H new ATOM 0 HA HIS A 58 5.639 19.537 0.636 1.00 0.00 H new ATOM 0 HB2 HIS A 58 7.300 21.156 -0.010 1.00 0.00 H new ATOM 0 HB3 HIS A 58 7.842 21.366 1.643 1.00 0.00 H new ATOM 0 HD2 HIS A 58 9.116 19.665 -1.358 1.00 0.00 H new ATOM 0 HE1 HIS A 58 10.352 17.137 1.817 1.00 0.00 H new ATOM 0 HE2 HIS A 58 10.671 17.696 -0.646 1.00 0.00 H new ATOM 863 N LEU A 59 6.721 19.703 3.758 1.00 0.00 N ATOM 864 CA LEU A 59 6.975 18.907 4.953 1.00 0.00 C ATOM 865 C LEU A 59 5.790 17.998 5.264 1.00 0.00 C ATOM 866 O LEU A 59 5.954 16.794 5.466 1.00 0.00 O ATOM 867 CB LEU A 59 7.258 19.820 6.148 1.00 0.00 C ATOM 868 CG LEU A 59 8.720 20.215 6.358 1.00 0.00 C ATOM 869 CD1 LEU A 59 9.345 20.667 5.048 1.00 0.00 C ATOM 870 CD2 LEU A 59 8.831 21.309 7.410 1.00 0.00 C ATOM 0 H LEU A 59 6.845 20.707 3.886 1.00 0.00 H new ATOM 0 HA LEU A 59 7.849 18.283 4.765 1.00 0.00 H new ATOM 0 HB2 LEU A 59 6.669 20.730 6.032 1.00 0.00 H new ATOM 0 HB3 LEU A 59 6.903 19.324 7.051 1.00 0.00 H new ATOM 0 HG LEU A 59 9.265 19.340 6.713 1.00 0.00 H new ATOM 0 HD11 LEU A 59 10.385 20.944 5.218 1.00 0.00 H new ATOM 0 HD12 LEU A 59 9.300 19.854 4.324 1.00 0.00 H new ATOM 0 HD13 LEU A 59 8.799 21.528 4.662 1.00 0.00 H new ATOM 0 HD21 LEU A 59 9.879 21.578 7.546 1.00 0.00 H new ATOM 0 HD22 LEU A 59 8.271 22.186 7.084 1.00 0.00 H new ATOM 0 HD23 LEU A 59 8.423 20.949 8.354 1.00 0.00 H new ATOM 882 N SER A 60 4.596 18.581 5.298 1.00 0.00 N ATOM 883 CA SER A 60 3.384 17.823 5.586 1.00 0.00 C ATOM 884 C SER A 60 3.276 16.604 4.675 1.00 0.00 C ATOM 885 O SER A 60 2.552 15.653 4.973 1.00 0.00 O ATOM 886 CB SER A 60 2.150 18.712 5.416 1.00 0.00 C ATOM 887 OG SER A 60 1.870 19.429 6.605 1.00 0.00 O ATOM 0 H SER A 60 4.442 19.575 5.130 1.00 0.00 H new ATOM 0 HA SER A 60 3.436 17.479 6.619 1.00 0.00 H new ATOM 0 HB2 SER A 60 2.312 19.411 4.596 1.00 0.00 H new ATOM 0 HB3 SER A 60 1.290 18.098 5.147 1.00 0.00 H new ATOM 0 HG SER A 60 1.078 19.991 6.470 1.00 0.00 H new ATOM 893 N LEU A 61 4.001 16.640 3.562 1.00 0.00 N ATOM 894 CA LEU A 61 3.988 15.538 2.605 1.00 0.00 C ATOM 895 C LEU A 61 5.140 14.574 2.870 1.00 0.00 C ATOM 896 O LEU A 61 4.926 13.380 3.076 1.00 0.00 O ATOM 897 CB LEU A 61 4.077 16.077 1.176 1.00 0.00 C ATOM 898 CG LEU A 61 3.032 17.123 0.787 1.00 0.00 C ATOM 899 CD1 LEU A 61 3.416 17.802 -0.518 1.00 0.00 C ATOM 900 CD2 LEU A 61 1.655 16.486 0.674 1.00 0.00 C ATOM 0 H LEU A 61 4.605 17.419 3.300 1.00 0.00 H new ATOM 0 HA LEU A 61 3.050 14.996 2.724 1.00 0.00 H new ATOM 0 HB2 LEU A 61 5.067 16.511 1.034 1.00 0.00 H new ATOM 0 HB3 LEU A 61 3.995 15.237 0.486 1.00 0.00 H new ATOM 0 HG LEU A 61 2.996 17.881 1.570 1.00 0.00 H new ATOM 0 HD11 LEU A 61 2.660 18.543 -0.779 1.00 0.00 H new ATOM 0 HD12 LEU A 61 4.382 18.294 -0.402 1.00 0.00 H new ATOM 0 HD13 LEU A 61 3.482 17.057 -1.310 1.00 0.00 H new ATOM 0 HD21 LEU A 61 0.924 17.246 0.396 1.00 0.00 H new ATOM 0 HD22 LEU A 61 1.676 15.707 -0.088 1.00 0.00 H new ATOM 0 HD23 LEU A 61 1.377 16.048 1.633 1.00 0.00 H new ATOM 912 N GLU A 62 6.360 15.102 2.865 1.00 0.00 N ATOM 913 CA GLU A 62 7.545 14.287 3.106 1.00 0.00 C ATOM 914 C GLU A 62 7.315 13.323 4.266 1.00 0.00 C ATOM 915 O GLU A 62 7.981 12.292 4.372 1.00 0.00 O ATOM 916 CB GLU A 62 8.753 15.179 3.401 1.00 0.00 C ATOM 917 CG GLU A 62 8.864 15.590 4.859 1.00 0.00 C ATOM 918 CD GLU A 62 10.180 16.275 5.174 1.00 0.00 C ATOM 919 OE1 GLU A 62 10.613 17.126 4.370 1.00 0.00 O ATOM 920 OE2 GLU A 62 10.776 15.959 6.225 1.00 0.00 O ATOM 0 H GLU A 62 6.554 16.089 2.697 1.00 0.00 H new ATOM 0 HA GLU A 62 7.744 13.705 2.206 1.00 0.00 H new ATOM 0 HB2 GLU A 62 9.662 14.653 3.110 1.00 0.00 H new ATOM 0 HB3 GLU A 62 8.692 16.075 2.783 1.00 0.00 H new ATOM 0 HG2 GLU A 62 8.041 16.261 5.107 1.00 0.00 H new ATOM 0 HG3 GLU A 62 8.758 14.708 5.490 1.00 0.00 H new ATOM 927 N LEU A 63 6.369 13.665 5.133 1.00 0.00 N ATOM 928 CA LEU A 63 6.051 12.830 6.287 1.00 0.00 C ATOM 929 C LEU A 63 5.046 11.745 5.913 1.00 0.00 C ATOM 930 O LEU A 63 5.270 10.563 6.173 1.00 0.00 O ATOM 931 CB LEU A 63 5.493 13.689 7.423 1.00 0.00 C ATOM 932 CG LEU A 63 6.487 14.633 8.101 1.00 0.00 C ATOM 933 CD1 LEU A 63 5.753 15.657 8.953 1.00 0.00 C ATOM 934 CD2 LEU A 63 7.479 13.847 8.945 1.00 0.00 C ATOM 0 H LEU A 63 5.809 14.514 5.060 1.00 0.00 H new ATOM 0 HA LEU A 63 6.970 12.348 6.621 1.00 0.00 H new ATOM 0 HB2 LEU A 63 4.668 14.283 7.031 1.00 0.00 H new ATOM 0 HB3 LEU A 63 5.076 13.027 8.182 1.00 0.00 H new ATOM 0 HG LEU A 63 7.041 15.164 7.327 1.00 0.00 H new ATOM 0 HD11 LEU A 63 6.476 16.320 9.428 1.00 0.00 H new ATOM 0 HD12 LEU A 63 5.083 16.242 8.323 1.00 0.00 H new ATOM 0 HD13 LEU A 63 5.173 15.144 9.720 1.00 0.00 H new ATOM 0 HD21 LEU A 63 8.178 14.535 9.420 1.00 0.00 H new ATOM 0 HD22 LEU A 63 6.942 13.289 9.712 1.00 0.00 H new ATOM 0 HD23 LEU A 63 8.028 13.153 8.309 1.00 0.00 H new ATOM 946 N GLN A 64 3.940 12.156 5.301 1.00 0.00 N ATOM 947 CA GLN A 64 2.902 11.218 4.890 1.00 0.00 C ATOM 948 C GLN A 64 3.482 10.115 4.010 1.00 0.00 C ATOM 949 O GLN A 64 3.026 8.972 4.049 1.00 0.00 O ATOM 950 CB GLN A 64 1.789 11.952 4.141 1.00 0.00 C ATOM 951 CG GLN A 64 0.455 11.223 4.166 1.00 0.00 C ATOM 952 CD GLN A 64 -0.341 11.507 5.425 1.00 0.00 C ATOM 953 OE1 GLN A 64 -0.193 12.562 6.043 1.00 0.00 O ATOM 954 NE2 GLN A 64 -1.193 10.565 5.811 1.00 0.00 N ATOM 0 H GLN A 64 3.740 13.131 5.079 1.00 0.00 H new ATOM 0 HA GLN A 64 2.486 10.760 5.787 1.00 0.00 H new ATOM 0 HB2 GLN A 64 1.661 12.942 4.578 1.00 0.00 H new ATOM 0 HB3 GLN A 64 2.095 12.098 3.105 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -0.132 11.517 3.296 1.00 0.00 H new ATOM 0 HG3 GLN A 64 0.630 10.150 4.085 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -1.284 9.706 5.269 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -1.757 10.700 6.650 1.00 0.00 H new ATOM 963 N ARG A 65 4.489 10.466 3.217 1.00 0.00 N ATOM 964 CA ARG A 65 5.130 9.506 2.326 1.00 0.00 C ATOM 965 C ARG A 65 5.814 8.398 3.122 1.00 0.00 C ATOM 966 O ARG A 65 5.656 7.215 2.821 1.00 0.00 O ATOM 967 CB ARG A 65 6.151 10.212 1.431 1.00 0.00 C ATOM 968 CG ARG A 65 6.328 9.553 0.073 1.00 0.00 C ATOM 969 CD ARG A 65 7.337 10.303 -0.782 1.00 0.00 C ATOM 970 NE ARG A 65 8.707 10.097 -0.320 1.00 0.00 N ATOM 971 CZ ARG A 65 9.279 10.826 0.632 1.00 0.00 C ATOM 972 NH1 ARG A 65 8.602 11.804 1.219 1.00 0.00 N ATOM 973 NH2 ARG A 65 10.530 10.578 0.998 1.00 0.00 N ATOM 0 H ARG A 65 4.879 11.408 3.173 1.00 0.00 H new ATOM 0 HA ARG A 65 4.359 9.057 1.701 1.00 0.00 H new ATOM 0 HB2 ARG A 65 5.840 11.247 1.286 1.00 0.00 H new ATOM 0 HB3 ARG A 65 7.114 10.237 1.942 1.00 0.00 H new ATOM 0 HG2 ARG A 65 6.658 8.523 0.207 1.00 0.00 H new ATOM 0 HG3 ARG A 65 5.368 9.516 -0.443 1.00 0.00 H new ATOM 0 HD2 ARG A 65 7.250 9.974 -1.817 1.00 0.00 H new ATOM 0 HD3 ARG A 65 7.105 11.368 -0.766 1.00 0.00 H new ATOM 0 HE ARG A 65 9.255 9.353 -0.752 1.00 0.00 H new ATOM 0 HH11 ARG A 65 7.640 11.998 0.940 1.00 0.00 H new ATOM 0 HH12 ARG A 65 9.043 12.362 1.950 1.00 0.00 H new ATOM 0 HH21 ARG A 65 11.054 9.827 0.548 1.00 0.00 H new ATOM 0 HH22 ARG A 65 10.968 11.138 1.729 1.00 0.00 H new ATOM 987 N ASP A 66 6.576 8.791 4.137 1.00 0.00 N ATOM 988 CA ASP A 66 7.284 7.831 4.977 1.00 0.00 C ATOM 989 C ASP A 66 6.469 6.553 5.148 1.00 0.00 C ATOM 990 O ASP A 66 6.871 5.483 4.692 1.00 0.00 O ATOM 991 CB ASP A 66 7.587 8.445 6.345 1.00 0.00 C ATOM 992 CG ASP A 66 8.401 7.519 7.227 1.00 0.00 C ATOM 993 OD1 ASP A 66 9.487 7.085 6.789 1.00 0.00 O ATOM 994 OD2 ASP A 66 7.951 7.226 8.355 1.00 0.00 O ATOM 0 H ASP A 66 6.719 9.767 4.398 1.00 0.00 H new ATOM 0 HA ASP A 66 8.223 7.578 4.485 1.00 0.00 H new ATOM 0 HB2 ASP A 66 8.129 9.381 6.208 1.00 0.00 H new ATOM 0 HB3 ASP A 66 6.650 8.689 6.846 1.00 0.00 H new ATOM 999 N SER A 67 5.322 6.673 5.810 1.00 0.00 N ATOM 1000 CA SER A 67 4.453 5.526 6.046 1.00 0.00 C ATOM 1001 C SER A 67 4.079 4.848 4.732 1.00 0.00 C ATOM 1002 O SER A 67 4.338 3.660 4.537 1.00 0.00 O ATOM 1003 CB SER A 67 3.187 5.963 6.786 1.00 0.00 C ATOM 1004 OG SER A 67 3.502 6.797 7.887 1.00 0.00 O ATOM 0 H SER A 67 4.973 7.552 6.192 1.00 0.00 H new ATOM 0 HA SER A 67 4.997 4.810 6.662 1.00 0.00 H new ATOM 0 HB2 SER A 67 2.527 6.494 6.101 1.00 0.00 H new ATOM 0 HB3 SER A 67 2.644 5.084 7.135 1.00 0.00 H new ATOM 0 HG SER A 67 2.676 7.064 8.342 1.00 0.00 H new ATOM 1010 N HIS A 68 3.469 5.612 3.831 1.00 0.00 N ATOM 1011 CA HIS A 68 3.059 5.086 2.534 1.00 0.00 C ATOM 1012 C HIS A 68 4.096 4.105 1.993 1.00 0.00 C ATOM 1013 O HIS A 68 3.767 3.199 1.228 1.00 0.00 O ATOM 1014 CB HIS A 68 2.854 6.228 1.538 1.00 0.00 C ATOM 1015 CG HIS A 68 1.477 6.816 1.577 1.00 0.00 C ATOM 1016 ND1 HIS A 68 0.339 6.083 1.314 1.00 0.00 N ATOM 1017 CD2 HIS A 68 1.058 8.073 1.851 1.00 0.00 C ATOM 1018 CE1 HIS A 68 -0.720 6.865 1.423 1.00 0.00 C ATOM 1019 NE2 HIS A 68 -0.311 8.078 1.749 1.00 0.00 N ATOM 0 H HIS A 68 3.248 6.597 3.975 1.00 0.00 H new ATOM 0 HA HIS A 68 2.116 4.556 2.667 1.00 0.00 H new ATOM 0 HB2 HIS A 68 3.582 7.013 1.743 1.00 0.00 H new ATOM 0 HB3 HIS A 68 3.056 5.862 0.531 1.00 0.00 H new ATOM 0 HD2 HIS A 68 1.684 8.916 2.103 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -1.746 6.564 1.271 1.00 0.00 H new ATOM 0 HE2 HIS A 68 -0.914 8.887 1.900 1.00 0.00 H new ATOM 1028 N MET A 69 5.348 4.293 2.397 1.00 0.00 N ATOM 1029 CA MET A 69 6.432 3.424 1.953 1.00 0.00 C ATOM 1030 C MET A 69 6.720 2.342 2.989 1.00 0.00 C ATOM 1031 O MET A 69 6.953 1.183 2.643 1.00 0.00 O ATOM 1032 CB MET A 69 7.696 4.244 1.690 1.00 0.00 C ATOM 1033 CG MET A 69 7.726 4.891 0.315 1.00 0.00 C ATOM 1034 SD MET A 69 7.574 3.690 -1.021 1.00 0.00 S ATOM 1035 CE MET A 69 9.000 2.652 -0.707 1.00 0.00 C ATOM 0 H MET A 69 5.637 5.038 3.030 1.00 0.00 H new ATOM 0 HA MET A 69 6.121 2.941 1.026 1.00 0.00 H new ATOM 0 HB2 MET A 69 7.780 5.021 2.450 1.00 0.00 H new ATOM 0 HB3 MET A 69 8.567 3.598 1.797 1.00 0.00 H new ATOM 0 HG2 MET A 69 6.915 5.616 0.241 1.00 0.00 H new ATOM 0 HG3 MET A 69 8.659 5.443 0.198 1.00 0.00 H new ATOM 0 HE1 MET A 69 9.222 2.060 -1.595 1.00 0.00 H new ATOM 0 HE2 MET A 69 9.859 3.278 -0.464 1.00 0.00 H new ATOM 0 HE3 MET A 69 8.788 1.986 0.129 1.00 0.00 H new ATOM 1045 N LYS A 70 6.702 2.726 4.260 1.00 0.00 N ATOM 1046 CA LYS A 70 6.960 1.789 5.347 1.00 0.00 C ATOM 1047 C LYS A 70 6.077 0.552 5.220 1.00 0.00 C ATOM 1048 O LYS A 70 6.495 -0.556 5.555 1.00 0.00 O ATOM 1049 CB LYS A 70 6.718 2.465 6.699 1.00 0.00 C ATOM 1050 CG LYS A 70 5.296 2.309 7.211 1.00 0.00 C ATOM 1051 CD LYS A 70 5.151 2.843 8.626 1.00 0.00 C ATOM 1052 CE LYS A 70 5.524 1.792 9.660 1.00 0.00 C ATOM 1053 NZ LYS A 70 4.429 0.803 9.865 1.00 0.00 N ATOM 0 H LYS A 70 6.511 3.681 4.563 1.00 0.00 H new ATOM 0 HA LYS A 70 8.003 1.477 5.285 1.00 0.00 H new ATOM 0 HB2 LYS A 70 7.407 2.048 7.433 1.00 0.00 H new ATOM 0 HB3 LYS A 70 6.949 3.527 6.612 1.00 0.00 H new ATOM 0 HG2 LYS A 70 4.610 2.838 6.549 1.00 0.00 H new ATOM 0 HG3 LYS A 70 5.013 1.257 7.188 1.00 0.00 H new ATOM 0 HD2 LYS A 70 5.786 3.720 8.752 1.00 0.00 H new ATOM 0 HD3 LYS A 70 4.123 3.167 8.790 1.00 0.00 H new ATOM 0 HE2 LYS A 70 6.427 1.273 9.340 1.00 0.00 H new ATOM 0 HE3 LYS A 70 5.755 2.280 10.607 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 4.606 0.265 10.738 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 3.520 1.303 9.944 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 4.396 0.150 9.057 1.00 0.00 H new ATOM 1067 N GLN A 71 4.857 0.749 4.733 1.00 0.00 N ATOM 1068 CA GLN A 71 3.916 -0.352 4.561 1.00 0.00 C ATOM 1069 C GLN A 71 4.266 -1.179 3.328 1.00 0.00 C ATOM 1070 O GLN A 71 4.132 -2.404 3.331 1.00 0.00 O ATOM 1071 CB GLN A 71 2.488 0.183 4.442 1.00 0.00 C ATOM 1072 CG GLN A 71 1.796 0.373 5.781 1.00 0.00 C ATOM 1073 CD GLN A 71 1.736 -0.906 6.593 1.00 0.00 C ATOM 1074 OE1 GLN A 71 1.262 -1.937 6.115 1.00 0.00 O ATOM 1075 NE2 GLN A 71 2.217 -0.846 7.830 1.00 0.00 N ATOM 0 H GLN A 71 4.496 1.660 4.450 1.00 0.00 H new ATOM 0 HA GLN A 71 3.983 -0.995 5.439 1.00 0.00 H new ATOM 0 HB2 GLN A 71 2.509 1.137 3.915 1.00 0.00 H new ATOM 0 HB3 GLN A 71 1.901 -0.505 3.833 1.00 0.00 H new ATOM 0 HG2 GLN A 71 2.322 1.137 6.353 1.00 0.00 H new ATOM 0 HG3 GLN A 71 0.784 0.741 5.614 1.00 0.00 H new ATOM 0 HE21 GLN A 71 2.601 0.029 8.186 1.00 0.00 H new ATOM 0 HE22 GLN A 71 2.203 -1.675 8.424 1.00 0.00 H new ATOM 1084 N LEU A 72 4.714 -0.504 2.276 1.00 0.00 N ATOM 1085 CA LEU A 72 5.084 -1.177 1.035 1.00 0.00 C ATOM 1086 C LEU A 72 6.202 -2.186 1.275 1.00 0.00 C ATOM 1087 O LEU A 72 6.085 -3.357 0.911 1.00 0.00 O ATOM 1088 CB LEU A 72 5.522 -0.152 -0.013 1.00 0.00 C ATOM 1089 CG LEU A 72 6.252 -0.712 -1.234 1.00 0.00 C ATOM 1090 CD1 LEU A 72 5.449 -1.837 -1.867 1.00 0.00 C ATOM 1091 CD2 LEU A 72 6.518 0.391 -2.248 1.00 0.00 C ATOM 0 H LEU A 72 4.830 0.509 2.257 1.00 0.00 H new ATOM 0 HA LEU A 72 4.209 -1.713 0.666 1.00 0.00 H new ATOM 0 HB2 LEU A 72 4.639 0.386 -0.358 1.00 0.00 H new ATOM 0 HB3 LEU A 72 6.171 0.578 0.471 1.00 0.00 H new ATOM 0 HG LEU A 72 7.210 -1.117 -0.907 1.00 0.00 H new ATOM 0 HD11 LEU A 72 5.985 -2.223 -2.734 1.00 0.00 H new ATOM 0 HD12 LEU A 72 5.310 -2.638 -1.141 1.00 0.00 H new ATOM 0 HD13 LEU A 72 4.476 -1.458 -2.180 1.00 0.00 H new ATOM 0 HD21 LEU A 72 7.038 -0.025 -3.111 1.00 0.00 H new ATOM 0 HD22 LEU A 72 5.571 0.825 -2.570 1.00 0.00 H new ATOM 0 HD23 LEU A 72 7.135 1.164 -1.791 1.00 0.00 H new ATOM 1103 N LEU A 73 7.285 -1.725 1.892 1.00 0.00 N ATOM 1104 CA LEU A 73 8.425 -2.588 2.183 1.00 0.00 C ATOM 1105 C LEU A 73 8.003 -3.776 3.041 1.00 0.00 C ATOM 1106 O LEU A 73 8.478 -4.896 2.848 1.00 0.00 O ATOM 1107 CB LEU A 73 9.522 -1.794 2.895 1.00 0.00 C ATOM 1108 CG LEU A 73 9.836 -0.415 2.315 1.00 0.00 C ATOM 1109 CD1 LEU A 73 11.009 0.218 3.048 1.00 0.00 C ATOM 1110 CD2 LEU A 73 10.127 -0.516 0.825 1.00 0.00 C ATOM 0 H LEU A 73 7.398 -0.759 2.200 1.00 0.00 H new ATOM 0 HA LEU A 73 8.814 -2.966 1.238 1.00 0.00 H new ATOM 0 HB2 LEU A 73 9.234 -1.670 3.939 1.00 0.00 H new ATOM 0 HB3 LEU A 73 10.437 -2.387 2.885 1.00 0.00 H new ATOM 0 HG LEU A 73 8.962 0.222 2.451 1.00 0.00 H new ATOM 0 HD11 LEU A 73 11.218 1.199 2.621 1.00 0.00 H new ATOM 0 HD12 LEU A 73 10.762 0.327 4.104 1.00 0.00 H new ATOM 0 HD13 LEU A 73 11.888 -0.418 2.944 1.00 0.00 H new ATOM 0 HD21 LEU A 73 10.348 0.475 0.429 1.00 0.00 H new ATOM 0 HD22 LEU A 73 10.984 -1.170 0.665 1.00 0.00 H new ATOM 0 HD23 LEU A 73 9.257 -0.926 0.311 1.00 0.00 H new ATOM 1122 N LEU A 74 7.106 -3.526 3.989 1.00 0.00 N ATOM 1123 CA LEU A 74 6.617 -4.576 4.876 1.00 0.00 C ATOM 1124 C LEU A 74 5.819 -5.618 4.099 1.00 0.00 C ATOM 1125 O LEU A 74 6.122 -6.810 4.149 1.00 0.00 O ATOM 1126 CB LEU A 74 5.749 -3.973 5.982 1.00 0.00 C ATOM 1127 CG LEU A 74 6.485 -3.540 7.251 1.00 0.00 C ATOM 1128 CD1 LEU A 74 5.565 -2.728 8.150 1.00 0.00 C ATOM 1129 CD2 LEU A 74 7.026 -4.752 7.994 1.00 0.00 C ATOM 0 H LEU A 74 6.703 -2.605 4.163 1.00 0.00 H new ATOM 0 HA LEU A 74 7.479 -5.068 5.326 1.00 0.00 H new ATOM 0 HB2 LEU A 74 5.227 -3.107 5.575 1.00 0.00 H new ATOM 0 HB3 LEU A 74 4.988 -4.703 6.258 1.00 0.00 H new ATOM 0 HG LEU A 74 7.327 -2.910 6.963 1.00 0.00 H new ATOM 0 HD11 LEU A 74 6.105 -2.428 9.048 1.00 0.00 H new ATOM 0 HD12 LEU A 74 5.227 -1.840 7.617 1.00 0.00 H new ATOM 0 HD13 LEU A 74 4.703 -3.333 8.430 1.00 0.00 H new ATOM 0 HD21 LEU A 74 7.546 -4.425 8.894 1.00 0.00 H new ATOM 0 HD22 LEU A 74 6.200 -5.408 8.271 1.00 0.00 H new ATOM 0 HD23 LEU A 74 7.719 -5.294 7.351 1.00 0.00 H new ATOM 1141 N ILE A 75 4.800 -5.159 3.380 1.00 0.00 N ATOM 1142 CA ILE A 75 3.960 -6.051 2.589 1.00 0.00 C ATOM 1143 C ILE A 75 4.792 -6.843 1.586 1.00 0.00 C ATOM 1144 O ILE A 75 4.623 -8.054 1.444 1.00 0.00 O ATOM 1145 CB ILE A 75 2.868 -5.273 1.832 1.00 0.00 C ATOM 1146 CG1 ILE A 75 1.944 -4.557 2.820 1.00 0.00 C ATOM 1147 CG2 ILE A 75 2.072 -6.212 0.938 1.00 0.00 C ATOM 1148 CD1 ILE A 75 1.159 -3.423 2.199 1.00 0.00 C ATOM 0 H ILE A 75 4.536 -4.175 3.329 1.00 0.00 H new ATOM 0 HA ILE A 75 3.485 -6.739 3.288 1.00 0.00 H new ATOM 0 HB ILE A 75 3.347 -4.523 1.202 1.00 0.00 H new ATOM 0 HG12 ILE A 75 1.248 -5.281 3.244 1.00 0.00 H new ATOM 0 HG13 ILE A 75 2.540 -4.167 3.645 1.00 0.00 H new ATOM 0 HG21 ILE A 75 1.304 -5.647 0.410 1.00 0.00 H new ATOM 0 HG22 ILE A 75 2.740 -6.680 0.215 1.00 0.00 H new ATOM 0 HG23 ILE A 75 1.601 -6.983 1.548 1.00 0.00 H new ATOM 0 HD11 ILE A 75 0.526 -2.961 2.957 1.00 0.00 H new ATOM 0 HD12 ILE A 75 1.848 -2.679 1.800 1.00 0.00 H new ATOM 0 HD13 ILE A 75 0.536 -3.810 1.393 1.00 0.00 H new ATOM 1160 N GLN A 76 5.692 -6.151 0.895 1.00 0.00 N ATOM 1161 CA GLN A 76 6.551 -6.791 -0.094 1.00 0.00 C ATOM 1162 C GLN A 76 7.243 -8.015 0.496 1.00 0.00 C ATOM 1163 O GLN A 76 7.157 -9.113 -0.053 1.00 0.00 O ATOM 1164 CB GLN A 76 7.595 -5.800 -0.611 1.00 0.00 C ATOM 1165 CG GLN A 76 7.129 -4.998 -1.816 1.00 0.00 C ATOM 1166 CD GLN A 76 8.280 -4.511 -2.674 1.00 0.00 C ATOM 1167 OE1 GLN A 76 8.856 -5.272 -3.451 1.00 0.00 O ATOM 1168 NE2 GLN A 76 8.622 -3.235 -2.536 1.00 0.00 N ATOM 0 H GLN A 76 5.845 -5.148 1.002 1.00 0.00 H new ATOM 0 HA GLN A 76 5.925 -7.116 -0.925 1.00 0.00 H new ATOM 0 HB2 GLN A 76 7.860 -5.112 0.192 1.00 0.00 H new ATOM 0 HB3 GLN A 76 8.501 -6.345 -0.876 1.00 0.00 H new ATOM 0 HG2 GLN A 76 6.464 -5.613 -2.422 1.00 0.00 H new ATOM 0 HG3 GLN A 76 6.548 -4.142 -1.475 1.00 0.00 H new ATOM 0 HE21 GLN A 76 8.117 -2.640 -1.880 1.00 0.00 H new ATOM 0 HE22 GLN A 76 9.390 -2.850 -3.086 1.00 0.00 H new ATOM 1177 N GLU A 77 7.930 -7.817 1.617 1.00 0.00 N ATOM 1178 CA GLU A 77 8.638 -8.906 2.281 1.00 0.00 C ATOM 1179 C GLU A 77 7.661 -9.974 2.766 1.00 0.00 C ATOM 1180 O GLU A 77 7.990 -11.160 2.800 1.00 0.00 O ATOM 1181 CB GLU A 77 9.452 -8.370 3.460 1.00 0.00 C ATOM 1182 CG GLU A 77 8.612 -7.657 4.506 1.00 0.00 C ATOM 1183 CD GLU A 77 9.353 -7.459 5.814 1.00 0.00 C ATOM 1184 OE1 GLU A 77 9.754 -8.471 6.427 1.00 0.00 O ATOM 1185 OE2 GLU A 77 9.531 -6.294 6.225 1.00 0.00 O ATOM 0 H GLU A 77 8.011 -6.914 2.084 1.00 0.00 H new ATOM 0 HA GLU A 77 9.316 -9.360 1.558 1.00 0.00 H new ATOM 0 HB2 GLU A 77 9.979 -9.198 3.933 1.00 0.00 H new ATOM 0 HB3 GLU A 77 10.210 -7.682 3.085 1.00 0.00 H new ATOM 0 HG2 GLU A 77 8.302 -6.687 4.118 1.00 0.00 H new ATOM 0 HG3 GLU A 77 7.704 -8.231 4.690 1.00 0.00 H new ATOM 1192 N ARG A 78 6.461 -9.544 3.140 1.00 0.00 N ATOM 1193 CA ARG A 78 5.438 -10.462 3.625 1.00 0.00 C ATOM 1194 C ARG A 78 4.851 -11.278 2.477 1.00 0.00 C ATOM 1195 O ARG A 78 4.250 -12.330 2.694 1.00 0.00 O ATOM 1196 CB ARG A 78 4.325 -9.689 4.336 1.00 0.00 C ATOM 1197 CG ARG A 78 4.767 -9.046 5.640 1.00 0.00 C ATOM 1198 CD ARG A 78 4.950 -10.083 6.738 1.00 0.00 C ATOM 1199 NE ARG A 78 5.681 -9.544 7.882 1.00 0.00 N ATOM 1200 CZ ARG A 78 6.205 -10.300 8.841 1.00 0.00 C ATOM 1201 NH1 ARG A 78 6.079 -11.619 8.793 1.00 0.00 N ATOM 1202 NH2 ARG A 78 6.856 -9.736 9.850 1.00 0.00 N ATOM 0 H ARG A 78 6.173 -8.566 3.117 1.00 0.00 H new ATOM 0 HA ARG A 78 5.906 -11.146 4.333 1.00 0.00 H new ATOM 0 HB2 ARG A 78 3.949 -8.914 3.668 1.00 0.00 H new ATOM 0 HB3 ARG A 78 3.495 -10.367 4.538 1.00 0.00 H new ATOM 0 HG2 ARG A 78 5.703 -8.510 5.484 1.00 0.00 H new ATOM 0 HG3 ARG A 78 4.027 -8.309 5.953 1.00 0.00 H new ATOM 0 HD2 ARG A 78 3.974 -10.439 7.067 1.00 0.00 H new ATOM 0 HD3 ARG A 78 5.486 -10.944 6.338 1.00 0.00 H new ATOM 0 HE ARG A 78 5.795 -8.533 7.948 1.00 0.00 H new ATOM 0 HH11 ARG A 78 5.579 -12.056 8.019 1.00 0.00 H new ATOM 0 HH12 ARG A 78 6.482 -12.197 9.530 1.00 0.00 H new ATOM 0 HH21 ARG A 78 6.954 -8.722 9.890 1.00 0.00 H new ATOM 0 HH22 ARG A 78 7.258 -10.317 10.586 1.00 0.00 H new ATOM 1216 N TRP A 79 5.030 -10.786 1.256 1.00 0.00 N ATOM 1217 CA TRP A 79 4.519 -11.469 0.074 1.00 0.00 C ATOM 1218 C TRP A 79 5.452 -12.598 -0.349 1.00 0.00 C ATOM 1219 O TRP A 79 5.052 -13.760 -0.407 1.00 0.00 O ATOM 1220 CB TRP A 79 4.342 -10.478 -1.077 1.00 0.00 C ATOM 1221 CG TRP A 79 3.673 -11.075 -2.278 1.00 0.00 C ATOM 1222 CD1 TRP A 79 2.797 -12.123 -2.292 1.00 0.00 C ATOM 1223 CD2 TRP A 79 3.828 -10.660 -3.640 1.00 0.00 C ATOM 1224 NE1 TRP A 79 2.398 -12.384 -3.581 1.00 0.00 N ATOM 1225 CE2 TRP A 79 3.015 -11.501 -4.426 1.00 0.00 C ATOM 1226 CE3 TRP A 79 4.572 -9.660 -4.271 1.00 0.00 C ATOM 1227 CZ2 TRP A 79 2.929 -11.370 -5.809 1.00 0.00 C ATOM 1228 CZ3 TRP A 79 4.485 -9.532 -5.645 1.00 0.00 C ATOM 1229 CH2 TRP A 79 3.668 -10.382 -6.401 1.00 0.00 C ATOM 0 H TRP A 79 5.525 -9.916 1.059 1.00 0.00 H new ATOM 0 HA TRP A 79 3.550 -11.900 0.325 1.00 0.00 H new ATOM 0 HB2 TRP A 79 3.755 -9.628 -0.728 1.00 0.00 H new ATOM 0 HB3 TRP A 79 5.319 -10.093 -1.368 1.00 0.00 H new ATOM 0 HD1 TRP A 79 2.467 -12.666 -1.419 1.00 0.00 H new ATOM 0 HE1 TRP A 79 1.747 -13.117 -3.863 1.00 0.00 H new ATOM 0 HE3 TRP A 79 5.204 -8.999 -3.696 1.00 0.00 H new ATOM 0 HZ2 TRP A 79 2.301 -12.025 -6.394 1.00 0.00 H new ATOM 0 HZ3 TRP A 79 5.057 -8.763 -6.144 1.00 0.00 H new ATOM 0 HH2 TRP A 79 3.620 -10.255 -7.472 1.00 0.00 H new ATOM 1240 N LYS A 80 6.700 -12.248 -0.645 1.00 0.00 N ATOM 1241 CA LYS A 80 7.692 -13.232 -1.062 1.00 0.00 C ATOM 1242 C LYS A 80 7.697 -14.432 -0.120 1.00 0.00 C ATOM 1243 O LYS A 80 7.996 -15.554 -0.531 1.00 0.00 O ATOM 1244 CB LYS A 80 9.084 -12.597 -1.103 1.00 0.00 C ATOM 1245 CG LYS A 80 9.576 -12.122 0.254 1.00 0.00 C ATOM 1246 CD LYS A 80 11.085 -11.946 0.269 1.00 0.00 C ATOM 1247 CE LYS A 80 11.509 -10.853 1.238 1.00 0.00 C ATOM 1248 NZ LYS A 80 11.536 -9.514 0.588 1.00 0.00 N ATOM 0 H LYS A 80 7.048 -11.290 -0.604 1.00 0.00 H new ATOM 0 HA LYS A 80 7.427 -13.578 -2.061 1.00 0.00 H new ATOM 0 HB2 LYS A 80 9.793 -13.321 -1.504 1.00 0.00 H new ATOM 0 HB3 LYS A 80 9.068 -11.752 -1.791 1.00 0.00 H new ATOM 0 HG2 LYS A 80 9.096 -11.176 0.506 1.00 0.00 H new ATOM 0 HG3 LYS A 80 9.285 -12.841 1.020 1.00 0.00 H new ATOM 0 HD2 LYS A 80 11.559 -12.886 0.550 1.00 0.00 H new ATOM 0 HD3 LYS A 80 11.434 -11.700 -0.734 1.00 0.00 H new ATOM 0 HE2 LYS A 80 10.822 -10.832 2.084 1.00 0.00 H new ATOM 0 HE3 LYS A 80 12.497 -11.084 1.635 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 11.373 -8.777 1.304 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 12.463 -9.364 0.141 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 10.791 -9.464 -0.136 1.00 0.00 H new ATOM 1262 N ARG A 81 7.364 -14.189 1.143 1.00 0.00 N ATOM 1263 CA ARG A 81 7.330 -15.251 2.142 1.00 0.00 C ATOM 1264 C ARG A 81 6.092 -16.125 1.964 1.00 0.00 C ATOM 1265 O ARG A 81 6.163 -17.349 2.079 1.00 0.00 O ATOM 1266 CB ARG A 81 7.348 -14.655 3.551 1.00 0.00 C ATOM 1267 CG ARG A 81 8.701 -14.094 3.958 1.00 0.00 C ATOM 1268 CD ARG A 81 8.601 -13.262 5.226 1.00 0.00 C ATOM 1269 NE ARG A 81 9.698 -12.305 5.342 1.00 0.00 N ATOM 1270 CZ ARG A 81 10.954 -12.655 5.597 1.00 0.00 C ATOM 1271 NH1 ARG A 81 11.269 -13.932 5.762 1.00 0.00 N ATOM 1272 NH2 ARG A 81 11.897 -11.726 5.687 1.00 0.00 N ATOM 0 H ARG A 81 7.114 -13.267 1.499 1.00 0.00 H new ATOM 0 HA ARG A 81 8.215 -15.872 2.006 1.00 0.00 H new ATOM 0 HB2 ARG A 81 6.603 -13.862 3.610 1.00 0.00 H new ATOM 0 HB3 ARG A 81 7.053 -15.424 4.265 1.00 0.00 H new ATOM 0 HG2 ARG A 81 9.404 -14.913 4.113 1.00 0.00 H new ATOM 0 HG3 ARG A 81 9.100 -13.481 3.150 1.00 0.00 H new ATOM 0 HD2 ARG A 81 7.651 -12.727 5.234 1.00 0.00 H new ATOM 0 HD3 ARG A 81 8.603 -13.922 6.093 1.00 0.00 H new ATOM 0 HE ARG A 81 9.489 -11.314 5.221 1.00 0.00 H new ATOM 0 HH11 ARG A 81 10.546 -14.649 5.693 1.00 0.00 H new ATOM 0 HH12 ARG A 81 12.234 -14.198 5.958 1.00 0.00 H new ATOM 0 HH21 ARG A 81 11.658 -10.743 5.560 1.00 0.00 H new ATOM 0 HH22 ARG A 81 12.861 -11.995 5.883 1.00 0.00 H new