USER MOD reduce.3.24.130724 H: found=0, std=0, add=579, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 575 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 39 HIS : no HE2:sc= 0.683 K(o=0.95,f=-4.2!) USER MOD Set 1.2: A 63 HIS : no HE2:sc= 0.263 K(o=0.95,f=-1.1) USER MOD Set 2.1: A 30 TYR OH : rot -72:sc= 0.478 USER MOD Set 2.2: A 71 SER OG : rot -74:sc= 1.21 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 TYR OH : rot 180:sc= -0.0405 USER MOD Single : A 8 THR OG1 : rot 180:sc= -0.236 USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 HIS : no HD1:sc= -0.648 K(o=-0.65,f=-2.5) USER MOD Single : A 16 LYS NZ :NH3+ -112:sc= 0.977 (180deg=-0.741) USER MOD Single : A 20 SER OG : rot 37:sc= 0.00906 USER MOD Single : A 21 THR OG1 : rot 80:sc= 0 USER MOD Single : A 26 HIS : no HE2:sc= 0.0771 K(o=0.077,f=-5.3!) USER MOD Single : A 27 HIS : no HD1:sc= -0.464 K(o=-0.46,f=-1.5) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot 92:sc= 0.462 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0.381 K(o=0.38,f=-1.4) USER MOD Single : A 55 THR OG1 : rot 32:sc= 0.355 USER MOD Single : A 57 ASN : amide:sc= -0.031 K(o=-0.031,f=-1.5!) USER MOD Single : A 64 SER OG : rot -160:sc= -0.0194 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 TYR OH : rot -129:sc= 1.38 USER MOD Single : A 80 HIS : no HD1:sc= -1.35 X(o=-1.4,f=-1.3) USER MOD ----------------------------------------------------------------- ATOM 65 N LYS A 5 1.110 -9.176 -11.209 1.00 0.00 N ATOM 66 CA LYS A 5 1.776 -9.172 -9.915 1.00 0.00 C ATOM 67 C LYS A 5 0.708 -9.444 -8.841 1.00 0.00 C ATOM 68 O LYS A 5 0.580 -8.727 -7.858 1.00 0.00 O ATOM 69 CB LYS A 5 2.661 -7.922 -9.737 1.00 0.00 C ATOM 70 CG LYS A 5 4.104 -8.127 -10.250 1.00 0.00 C ATOM 71 CD LYS A 5 4.624 -7.040 -11.211 1.00 0.00 C ATOM 72 CE LYS A 5 5.654 -6.098 -10.571 1.00 0.00 C ATOM 73 NZ LYS A 5 6.327 -5.266 -11.591 1.00 0.00 N ATOM 0 HA LYS A 5 2.509 -9.973 -9.819 1.00 0.00 H new ATOM 0 HB2 LYS A 5 2.208 -7.084 -10.267 1.00 0.00 H new ATOM 0 HB3 LYS A 5 2.691 -7.652 -8.681 1.00 0.00 H new ATOM 0 HG2 LYS A 5 4.773 -8.179 -9.391 1.00 0.00 H new ATOM 0 HG3 LYS A 5 4.158 -9.091 -10.755 1.00 0.00 H new ATOM 0 HD2 LYS A 5 5.073 -7.520 -12.081 1.00 0.00 H new ATOM 0 HD3 LYS A 5 3.780 -6.452 -11.572 1.00 0.00 H new ATOM 0 HE2 LYS A 5 5.159 -5.455 -9.843 1.00 0.00 H new ATOM 0 HE3 LYS A 5 6.396 -6.683 -10.028 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 7.017 -4.640 -11.128 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 6.818 -5.880 -12.271 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 5.620 -4.691 -12.092 1.00 0.00 H new ATOM 87 N TYR A 6 -0.092 -10.503 -9.018 1.00 0.00 N ATOM 88 CA TYR A 6 -1.044 -10.886 -7.976 1.00 0.00 C ATOM 89 C TYR A 6 -0.300 -11.307 -6.700 1.00 0.00 C ATOM 90 O TYR A 6 0.543 -12.201 -6.767 1.00 0.00 O ATOM 91 CB TYR A 6 -1.993 -11.985 -8.470 1.00 0.00 C ATOM 92 CG TYR A 6 -2.983 -11.514 -9.517 1.00 0.00 C ATOM 93 CD1 TYR A 6 -3.980 -10.583 -9.169 1.00 0.00 C ATOM 94 CD2 TYR A 6 -2.901 -11.985 -10.840 1.00 0.00 C ATOM 95 CE1 TYR A 6 -4.854 -10.087 -10.153 1.00 0.00 C ATOM 96 CE2 TYR A 6 -3.748 -11.457 -11.830 1.00 0.00 C ATOM 97 CZ TYR A 6 -4.717 -10.500 -11.487 1.00 0.00 C ATOM 98 OH TYR A 6 -5.544 -9.995 -12.445 1.00 0.00 O ATOM 0 H TYR A 6 -0.099 -11.094 -9.850 1.00 0.00 H new ATOM 0 HA TYR A 6 -1.659 -10.019 -7.734 1.00 0.00 H new ATOM 0 HB2 TYR A 6 -1.403 -12.803 -8.884 1.00 0.00 H new ATOM 0 HB3 TYR A 6 -2.542 -12.387 -7.619 1.00 0.00 H new ATOM 0 HD1 TYR A 6 -4.074 -10.250 -8.146 1.00 0.00 H new ATOM 0 HD2 TYR A 6 -2.186 -12.753 -11.096 1.00 0.00 H new ATOM 0 HE1 TYR A 6 -5.631 -9.388 -9.882 1.00 0.00 H new ATOM 0 HE2 TYR A 6 -3.654 -11.787 -12.854 1.00 0.00 H new ATOM 0 HH TYR A 6 -5.314 -10.385 -13.314 1.00 0.00 H new ATOM 108 N TYR A 7 -0.596 -10.685 -5.549 1.00 0.00 N ATOM 109 CA TYR A 7 0.065 -10.993 -4.278 1.00 0.00 C ATOM 110 C TYR A 7 -0.961 -11.330 -3.193 1.00 0.00 C ATOM 111 O TYR A 7 -2.050 -10.758 -3.170 1.00 0.00 O ATOM 112 CB TYR A 7 0.935 -9.810 -3.843 1.00 0.00 C ATOM 113 CG TYR A 7 2.048 -9.431 -4.798 1.00 0.00 C ATOM 114 CD1 TYR A 7 3.085 -10.346 -5.057 1.00 0.00 C ATOM 115 CD2 TYR A 7 2.129 -8.122 -5.309 1.00 0.00 C ATOM 116 CE1 TYR A 7 4.199 -9.954 -5.818 1.00 0.00 C ATOM 117 CE2 TYR A 7 3.251 -7.725 -6.054 1.00 0.00 C ATOM 118 CZ TYR A 7 4.286 -8.640 -6.306 1.00 0.00 C ATOM 119 OH TYR A 7 5.403 -8.231 -6.971 1.00 0.00 O ATOM 0 H TYR A 7 -1.303 -9.953 -5.476 1.00 0.00 H new ATOM 0 HA TYR A 7 0.700 -11.868 -4.422 1.00 0.00 H new ATOM 0 HB2 TYR A 7 0.292 -8.942 -3.700 1.00 0.00 H new ATOM 0 HB3 TYR A 7 1.376 -10.043 -2.874 1.00 0.00 H new ATOM 0 HD1 TYR A 7 3.024 -11.352 -4.670 1.00 0.00 H new ATOM 0 HD2 TYR A 7 1.327 -7.422 -5.128 1.00 0.00 H new ATOM 0 HE1 TYR A 7 4.987 -10.662 -6.027 1.00 0.00 H new ATOM 0 HE2 TYR A 7 3.318 -6.716 -6.433 1.00 0.00 H new ATOM 0 HH TYR A 7 5.298 -7.295 -7.241 1.00 0.00 H new ATOM 129 N THR A 8 -0.615 -12.266 -2.300 1.00 0.00 N ATOM 130 CA THR A 8 -1.484 -12.758 -1.234 1.00 0.00 C ATOM 131 C THR A 8 -1.221 -12.003 0.069 1.00 0.00 C ATOM 132 O THR A 8 -0.151 -11.420 0.238 1.00 0.00 O ATOM 133 CB THR A 8 -1.224 -14.259 -1.013 1.00 0.00 C ATOM 134 OG1 THR A 8 0.126 -14.470 -0.657 1.00 0.00 O ATOM 135 CG2 THR A 8 -1.545 -15.108 -2.243 1.00 0.00 C ATOM 0 H THR A 8 0.303 -12.711 -2.303 1.00 0.00 H new ATOM 0 HA THR A 8 -2.521 -12.598 -1.529 1.00 0.00 H new ATOM 0 HB THR A 8 -1.891 -14.571 -0.209 1.00 0.00 H new ATOM 0 HG1 THR A 8 0.282 -15.427 -0.517 1.00 0.00 H new ATOM 0 HG21 THR A 8 -1.341 -16.156 -2.025 1.00 0.00 H new ATOM 0 HG22 THR A 8 -2.597 -14.989 -2.503 1.00 0.00 H new ATOM 0 HG23 THR A 8 -0.926 -14.785 -3.080 1.00 0.00 H new ATOM 143 N LEU A 9 -2.182 -12.039 1.003 1.00 0.00 N ATOM 144 CA LEU A 9 -2.108 -11.325 2.266 1.00 0.00 C ATOM 145 C LEU A 9 -0.786 -11.613 2.971 1.00 0.00 C ATOM 146 O LEU A 9 -0.018 -10.688 3.193 1.00 0.00 O ATOM 147 CB LEU A 9 -3.294 -11.681 3.173 1.00 0.00 C ATOM 148 CG LEU A 9 -4.682 -11.178 2.741 1.00 0.00 C ATOM 149 CD1 LEU A 9 -4.724 -9.677 2.430 1.00 0.00 C ATOM 150 CD2 LEU A 9 -5.273 -11.967 1.571 1.00 0.00 C ATOM 0 H LEU A 9 -3.042 -12.576 0.891 1.00 0.00 H new ATOM 0 HA LEU A 9 -2.158 -10.258 2.051 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -3.340 -12.767 3.260 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -3.087 -11.290 4.169 1.00 0.00 H new ATOM 0 HG LEU A 9 -5.306 -11.352 3.618 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -5.734 -9.395 2.132 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -4.437 -9.113 3.318 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -4.031 -9.454 1.619 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -6.252 -11.561 1.316 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -4.612 -11.888 0.708 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -5.377 -13.014 1.854 1.00 0.00 H new ATOM 162 N GLU A 10 -0.499 -12.879 3.295 1.00 0.00 N ATOM 163 CA GLU A 10 0.753 -13.247 3.945 1.00 0.00 C ATOM 164 C GLU A 10 1.958 -12.688 3.193 1.00 0.00 C ATOM 165 O GLU A 10 2.814 -12.051 3.804 1.00 0.00 O ATOM 166 CB GLU A 10 0.872 -14.769 4.067 1.00 0.00 C ATOM 167 CG GLU A 10 0.053 -15.307 5.241 1.00 0.00 C ATOM 168 CD GLU A 10 0.278 -16.806 5.381 1.00 0.00 C ATOM 169 OE1 GLU A 10 -0.257 -17.534 4.519 1.00 0.00 O ATOM 170 OE2 GLU A 10 1.021 -17.184 6.311 1.00 0.00 O ATOM 0 H GLU A 10 -1.123 -13.665 3.114 1.00 0.00 H new ATOM 0 HA GLU A 10 0.743 -12.811 4.944 1.00 0.00 H new ATOM 0 HB2 GLU A 10 0.533 -15.236 3.142 1.00 0.00 H new ATOM 0 HB3 GLU A 10 1.919 -15.043 4.197 1.00 0.00 H new ATOM 0 HG2 GLU A 10 0.342 -14.799 6.161 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -1.006 -15.102 5.082 1.00 0.00 H new ATOM 177 N GLU A 11 2.035 -12.935 1.882 1.00 0.00 N ATOM 178 CA GLU A 11 3.132 -12.465 1.044 1.00 0.00 C ATOM 179 C GLU A 11 3.335 -10.963 1.283 1.00 0.00 C ATOM 180 O GLU A 11 4.407 -10.533 1.706 1.00 0.00 O ATOM 181 CB GLU A 11 2.858 -12.872 -0.416 1.00 0.00 C ATOM 182 CG GLU A 11 4.076 -12.829 -1.352 1.00 0.00 C ATOM 183 CD GLU A 11 3.997 -13.915 -2.427 1.00 0.00 C ATOM 184 OE1 GLU A 11 4.095 -15.112 -2.085 1.00 0.00 O ATOM 185 OE2 GLU A 11 3.800 -13.568 -3.612 1.00 0.00 O ATOM 0 H GLU A 11 1.331 -13.470 1.373 1.00 0.00 H new ATOM 0 HA GLU A 11 4.082 -12.932 1.303 1.00 0.00 H new ATOM 0 HB2 GLU A 11 2.451 -13.883 -0.423 1.00 0.00 H new ATOM 0 HB3 GLU A 11 2.087 -12.215 -0.820 1.00 0.00 H new ATOM 0 HG2 GLU A 11 4.137 -11.850 -1.827 1.00 0.00 H new ATOM 0 HG3 GLU A 11 4.988 -12.958 -0.770 1.00 0.00 H new ATOM 192 N ILE A 12 2.274 -10.174 1.120 1.00 0.00 N ATOM 193 CA ILE A 12 2.308 -8.736 1.347 1.00 0.00 C ATOM 194 C ILE A 12 2.680 -8.424 2.806 1.00 0.00 C ATOM 195 O ILE A 12 3.442 -7.497 3.059 1.00 0.00 O ATOM 196 CB ILE A 12 0.968 -8.106 0.932 1.00 0.00 C ATOM 197 CG1 ILE A 12 0.597 -8.476 -0.518 1.00 0.00 C ATOM 198 CG2 ILE A 12 1.047 -6.577 1.039 1.00 0.00 C ATOM 199 CD1 ILE A 12 -0.919 -8.492 -0.707 1.00 0.00 C ATOM 0 H ILE A 12 1.361 -10.521 0.824 1.00 0.00 H new ATOM 0 HA ILE A 12 3.084 -8.290 0.725 1.00 0.00 H new ATOM 0 HB ILE A 12 0.204 -8.494 1.605 1.00 0.00 H new ATOM 0 HG12 ILE A 12 1.046 -7.760 -1.206 1.00 0.00 H new ATOM 0 HG13 ILE A 12 1.008 -9.455 -0.764 1.00 0.00 H new ATOM 0 HG21 ILE A 12 0.093 -6.142 0.743 1.00 0.00 H new ATOM 0 HG22 ILE A 12 1.270 -6.295 2.068 1.00 0.00 H new ATOM 0 HG23 ILE A 12 1.834 -6.207 0.382 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -1.154 -8.756 -1.738 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -1.362 -9.227 -0.034 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -1.324 -7.505 -0.483 1.00 0.00 H new ATOM 211 N GLN A 13 2.195 -9.212 3.767 1.00 0.00 N ATOM 212 CA GLN A 13 2.469 -9.054 5.191 1.00 0.00 C ATOM 213 C GLN A 13 3.968 -9.112 5.478 1.00 0.00 C ATOM 214 O GLN A 13 4.448 -8.440 6.387 1.00 0.00 O ATOM 215 CB GLN A 13 1.698 -10.089 6.023 1.00 0.00 C ATOM 216 CG GLN A 13 1.467 -9.591 7.455 1.00 0.00 C ATOM 217 CD GLN A 13 1.241 -10.755 8.412 1.00 0.00 C ATOM 218 OE1 GLN A 13 0.131 -11.257 8.549 1.00 0.00 O ATOM 219 NE2 GLN A 13 2.300 -11.200 9.084 1.00 0.00 N ATOM 0 H GLN A 13 1.582 -10.002 3.566 1.00 0.00 H new ATOM 0 HA GLN A 13 2.118 -8.066 5.488 1.00 0.00 H new ATOM 0 HB2 GLN A 13 0.739 -10.298 5.549 1.00 0.00 H new ATOM 0 HB3 GLN A 13 2.253 -11.027 6.047 1.00 0.00 H new ATOM 0 HG2 GLN A 13 2.327 -9.008 7.784 1.00 0.00 H new ATOM 0 HG3 GLN A 13 0.604 -8.926 7.477 1.00 0.00 H new ATOM 0 HE21 GLN A 13 3.211 -10.762 8.949 1.00 0.00 H new ATOM 0 HE22 GLN A 13 2.201 -11.979 9.734 1.00 0.00 H new ATOM 228 N LYS A 14 4.715 -9.911 4.709 1.00 0.00 N ATOM 229 CA LYS A 14 6.161 -9.978 4.864 1.00 0.00 C ATOM 230 C LYS A 14 6.793 -8.681 4.332 1.00 0.00 C ATOM 231 O LYS A 14 7.808 -8.222 4.852 1.00 0.00 O ATOM 232 CB LYS A 14 6.703 -11.270 4.229 1.00 0.00 C ATOM 233 CG LYS A 14 6.201 -12.506 5.013 1.00 0.00 C ATOM 234 CD LYS A 14 5.458 -13.526 4.135 1.00 0.00 C ATOM 235 CE LYS A 14 6.341 -14.555 3.419 1.00 0.00 C ATOM 236 NZ LYS A 14 6.714 -15.684 4.295 1.00 0.00 N ATOM 0 H LYS A 14 4.339 -10.515 3.978 1.00 0.00 H new ATOM 0 HA LYS A 14 6.440 -10.038 5.916 1.00 0.00 H new ATOM 0 HB2 LYS A 14 6.381 -11.335 3.190 1.00 0.00 H new ATOM 0 HB3 LYS A 14 7.793 -11.252 4.225 1.00 0.00 H new ATOM 0 HG2 LYS A 14 7.051 -12.997 5.486 1.00 0.00 H new ATOM 0 HG3 LYS A 14 5.538 -12.175 5.813 1.00 0.00 H new ATOM 0 HD2 LYS A 14 4.741 -14.061 4.758 1.00 0.00 H new ATOM 0 HD3 LYS A 14 4.884 -12.982 3.385 1.00 0.00 H new ATOM 0 HE2 LYS A 14 5.814 -14.936 2.544 1.00 0.00 H new ATOM 0 HE3 LYS A 14 7.245 -14.065 3.058 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 7.310 -16.352 3.766 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 7.241 -15.326 5.117 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 5.854 -16.170 4.620 1.00 0.00 H new ATOM 250 N HIS A 15 6.158 -8.035 3.351 1.00 0.00 N ATOM 251 CA HIS A 15 6.548 -6.728 2.842 1.00 0.00 C ATOM 252 C HIS A 15 5.968 -5.608 3.723 1.00 0.00 C ATOM 253 O HIS A 15 5.244 -4.727 3.251 1.00 0.00 O ATOM 254 CB HIS A 15 6.109 -6.625 1.377 1.00 0.00 C ATOM 255 CG HIS A 15 6.968 -7.416 0.423 1.00 0.00 C ATOM 256 ND1 HIS A 15 7.870 -6.887 -0.470 1.00 0.00 N ATOM 257 CD2 HIS A 15 6.993 -8.776 0.274 1.00 0.00 C ATOM 258 CE1 HIS A 15 8.437 -7.909 -1.131 1.00 0.00 C ATOM 259 NE2 HIS A 15 7.938 -9.082 -0.712 1.00 0.00 N ATOM 0 H HIS A 15 5.339 -8.420 2.880 1.00 0.00 H new ATOM 0 HA HIS A 15 7.631 -6.609 2.881 1.00 0.00 H new ATOM 0 HB2 HIS A 15 5.078 -6.969 1.292 1.00 0.00 H new ATOM 0 HB3 HIS A 15 6.121 -5.577 1.077 1.00 0.00 H new ATOM 0 HD2 HIS A 15 6.391 -9.487 0.820 1.00 0.00 H new ATOM 0 HE1 HIS A 15 9.192 -7.802 -1.896 1.00 0.00 H new ATOM 0 HE2 HIS A 15 8.196 -10.011 -1.045 1.00 0.00 H new ATOM 267 N LYS A 16 6.335 -5.625 5.010 1.00 0.00 N ATOM 268 CA LYS A 16 6.106 -4.533 5.952 1.00 0.00 C ATOM 269 C LYS A 16 7.451 -4.053 6.487 1.00 0.00 C ATOM 270 O LYS A 16 7.734 -2.853 6.457 1.00 0.00 O ATOM 271 CB LYS A 16 5.194 -4.990 7.104 1.00 0.00 C ATOM 272 CG LYS A 16 5.054 -3.921 8.217 1.00 0.00 C ATOM 273 CD LYS A 16 4.991 -4.535 9.628 1.00 0.00 C ATOM 274 CE LYS A 16 3.566 -4.526 10.200 1.00 0.00 C ATOM 275 NZ LYS A 16 3.225 -3.225 10.820 1.00 0.00 N ATOM 0 H LYS A 16 6.812 -6.422 5.432 1.00 0.00 H new ATOM 0 HA LYS A 16 5.604 -3.712 5.441 1.00 0.00 H new ATOM 0 HB2 LYS A 16 4.207 -5.227 6.708 1.00 0.00 H new ATOM 0 HB3 LYS A 16 5.593 -5.908 7.536 1.00 0.00 H new ATOM 0 HG2 LYS A 16 5.898 -3.233 8.162 1.00 0.00 H new ATOM 0 HG3 LYS A 16 4.152 -3.334 8.040 1.00 0.00 H new ATOM 0 HD2 LYS A 16 5.361 -5.560 9.594 1.00 0.00 H new ATOM 0 HD3 LYS A 16 5.652 -3.980 10.294 1.00 0.00 H new ATOM 0 HE2 LYS A 16 2.855 -4.746 9.404 1.00 0.00 H new ATOM 0 HE3 LYS A 16 3.468 -5.318 10.942 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 3.130 -3.345 11.849 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 3.979 -2.537 10.620 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 2.326 -2.878 10.428 1.00 0.00 H new ATOM 334 N SER A 20 10.766 -3.446 2.234 1.00 0.00 N ATOM 335 CA SER A 20 9.846 -2.887 1.257 1.00 0.00 C ATOM 336 C SER A 20 8.488 -2.701 1.927 1.00 0.00 C ATOM 337 O SER A 20 7.930 -3.675 2.425 1.00 0.00 O ATOM 338 CB SER A 20 9.686 -3.829 0.059 1.00 0.00 C ATOM 339 OG SER A 20 10.889 -4.008 -0.658 1.00 0.00 O ATOM 0 HA SER A 20 10.238 -1.935 0.900 1.00 0.00 H new ATOM 0 HB2 SER A 20 9.329 -4.798 0.409 1.00 0.00 H new ATOM 0 HB3 SER A 20 8.924 -3.431 -0.611 1.00 0.00 H new ATOM 0 HG SER A 20 11.643 -4.026 -0.032 1.00 0.00 H new ATOM 345 N THR A 21 7.960 -1.478 1.950 1.00 0.00 N ATOM 346 CA THR A 21 6.701 -1.146 2.577 1.00 0.00 C ATOM 347 C THR A 21 5.579 -1.293 1.551 1.00 0.00 C ATOM 348 O THR A 21 5.401 -0.409 0.710 1.00 0.00 O ATOM 349 CB THR A 21 6.822 0.293 3.089 1.00 0.00 C ATOM 350 OG1 THR A 21 7.960 0.379 3.925 1.00 0.00 O ATOM 351 CG2 THR A 21 5.581 0.668 3.883 1.00 0.00 C ATOM 0 H THR A 21 8.417 -0.675 1.518 1.00 0.00 H new ATOM 0 HA THR A 21 6.468 -1.809 3.411 1.00 0.00 H new ATOM 0 HB THR A 21 6.920 0.977 2.246 1.00 0.00 H new ATOM 0 HG1 THR A 21 8.766 0.455 3.373 1.00 0.00 H new ATOM 0 HG21 THR A 21 5.675 1.692 4.243 1.00 0.00 H new ATOM 0 HG22 THR A 21 4.702 0.588 3.244 1.00 0.00 H new ATOM 0 HG23 THR A 21 5.475 -0.007 4.732 1.00 0.00 H new ATOM 359 N TRP A 22 4.836 -2.401 1.608 1.00 0.00 N ATOM 360 CA TRP A 22 3.700 -2.630 0.727 1.00 0.00 C ATOM 361 C TRP A 22 2.384 -2.462 1.474 1.00 0.00 C ATOM 362 O TRP A 22 2.270 -2.777 2.662 1.00 0.00 O ATOM 363 CB TRP A 22 3.749 -4.018 0.123 1.00 0.00 C ATOM 364 CG TRP A 22 4.848 -4.295 -0.851 1.00 0.00 C ATOM 365 CD1 TRP A 22 5.897 -3.507 -1.171 1.00 0.00 C ATOM 366 CD2 TRP A 22 4.974 -5.469 -1.685 1.00 0.00 C ATOM 367 NE1 TRP A 22 6.648 -4.117 -2.151 1.00 0.00 N ATOM 368 CE2 TRP A 22 6.135 -5.348 -2.497 1.00 0.00 C ATOM 369 CE3 TRP A 22 4.183 -6.615 -1.845 1.00 0.00 C ATOM 370 CZ2 TRP A 22 6.510 -6.344 -3.410 1.00 0.00 C ATOM 371 CZ3 TRP A 22 4.565 -7.643 -2.723 1.00 0.00 C ATOM 372 CH2 TRP A 22 5.737 -7.515 -3.491 1.00 0.00 C ATOM 0 H TRP A 22 5.009 -3.160 2.267 1.00 0.00 H new ATOM 0 HA TRP A 22 3.759 -1.888 -0.070 1.00 0.00 H new ATOM 0 HB2 TRP A 22 3.828 -4.739 0.937 1.00 0.00 H new ATOM 0 HB3 TRP A 22 2.798 -4.204 -0.377 1.00 0.00 H new ATOM 0 HD1 TRP A 22 6.114 -2.547 -0.727 1.00 0.00 H new ATOM 0 HE1 TRP A 22 7.483 -3.707 -2.570 1.00 0.00 H new ATOM 0 HE3 TRP A 22 3.265 -6.709 -1.284 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 7.378 -6.214 -4.040 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 3.958 -8.532 -2.809 1.00 0.00 H new ATOM 0 HH2 TRP A 22 6.043 -8.319 -4.144 1.00 0.00 H new ATOM 383 N VAL A 23 1.376 -2.002 0.740 1.00 0.00 N ATOM 384 CA VAL A 23 0.027 -1.789 1.231 1.00 0.00 C ATOM 385 C VAL A 23 -0.963 -2.170 0.138 1.00 0.00 C ATOM 386 O VAL A 23 -0.717 -1.878 -1.032 1.00 0.00 O ATOM 387 CB VAL A 23 -0.172 -0.319 1.631 1.00 0.00 C ATOM 388 CG1 VAL A 23 0.361 -0.036 3.034 1.00 0.00 C ATOM 389 CG2 VAL A 23 0.481 0.671 0.673 1.00 0.00 C ATOM 0 H VAL A 23 1.484 -1.760 -0.245 1.00 0.00 H new ATOM 0 HA VAL A 23 -0.139 -2.409 2.112 1.00 0.00 H new ATOM 0 HB VAL A 23 -1.252 -0.174 1.595 1.00 0.00 H new ATOM 0 HG11 VAL A 23 0.201 1.014 3.279 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -0.165 -0.661 3.756 1.00 0.00 H new ATOM 0 HG13 VAL A 23 1.427 -0.259 3.070 1.00 0.00 H new ATOM 0 HG21 VAL A 23 0.298 1.688 1.020 1.00 0.00 H new ATOM 0 HG22 VAL A 23 1.555 0.488 0.636 1.00 0.00 H new ATOM 0 HG23 VAL A 23 0.058 0.546 -0.324 1.00 0.00 H new ATOM 399 N ILE A 24 -2.084 -2.794 0.518 1.00 0.00 N ATOM 400 CA ILE A 24 -3.211 -2.987 -0.370 1.00 0.00 C ATOM 401 C ILE A 24 -4.228 -1.884 -0.120 1.00 0.00 C ATOM 402 O ILE A 24 -4.749 -1.726 0.990 1.00 0.00 O ATOM 403 CB ILE A 24 -3.794 -4.401 -0.313 1.00 0.00 C ATOM 404 CG1 ILE A 24 -4.391 -4.775 1.044 1.00 0.00 C ATOM 405 CG2 ILE A 24 -2.688 -5.388 -0.671 1.00 0.00 C ATOM 406 CD1 ILE A 24 -5.919 -4.824 1.030 1.00 0.00 C ATOM 0 H ILE A 24 -2.225 -3.176 1.453 1.00 0.00 H new ATOM 0 HA ILE A 24 -2.868 -2.904 -1.401 1.00 0.00 H new ATOM 0 HB ILE A 24 -4.620 -4.438 -1.023 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -4.004 -5.747 1.350 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -4.063 -4.052 1.791 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -3.082 -6.404 -0.637 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -2.321 -5.175 -1.675 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -1.870 -5.292 0.042 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -6.283 -5.095 2.021 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -6.312 -3.846 0.754 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -6.253 -5.567 0.305 1.00 0.00 H new ATOM 418 N LEU A 25 -4.450 -1.087 -1.160 1.00 0.00 N ATOM 419 CA LEU A 25 -5.364 0.032 -1.149 1.00 0.00 C ATOM 420 C LEU A 25 -6.370 -0.279 -2.250 1.00 0.00 C ATOM 421 O LEU A 25 -5.981 -0.464 -3.402 1.00 0.00 O ATOM 422 CB LEU A 25 -4.608 1.350 -1.340 1.00 0.00 C ATOM 423 CG LEU A 25 -3.455 1.515 -0.331 1.00 0.00 C ATOM 424 CD1 LEU A 25 -2.492 2.594 -0.800 1.00 0.00 C ATOM 425 CD2 LEU A 25 -3.972 1.945 1.034 1.00 0.00 C ATOM 0 H LEU A 25 -3.981 -1.212 -2.057 1.00 0.00 H new ATOM 0 HA LEU A 25 -5.882 0.163 -0.199 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -4.210 1.394 -2.354 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -5.303 2.183 -1.234 1.00 0.00 H new ATOM 0 HG LEU A 25 -2.958 0.548 -0.259 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -1.683 2.699 -0.077 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -2.078 2.316 -1.769 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -3.023 3.542 -0.890 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -3.134 2.053 1.723 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -4.491 2.899 0.942 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -4.661 1.192 1.416 1.00 0.00 H new ATOM 437 N HIS A 26 -7.645 -0.439 -1.898 1.00 0.00 N ATOM 438 CA HIS A 26 -8.703 -0.707 -2.871 1.00 0.00 C ATOM 439 C HIS A 26 -8.369 -1.930 -3.745 1.00 0.00 C ATOM 440 O HIS A 26 -8.440 -1.861 -4.972 1.00 0.00 O ATOM 441 CB HIS A 26 -8.950 0.540 -3.737 1.00 0.00 C ATOM 442 CG HIS A 26 -9.276 1.795 -2.967 1.00 0.00 C ATOM 443 ND1 HIS A 26 -10.537 2.198 -2.592 1.00 0.00 N ATOM 444 CD2 HIS A 26 -8.416 2.830 -2.707 1.00 0.00 C ATOM 445 CE1 HIS A 26 -10.437 3.448 -2.117 1.00 0.00 C ATOM 446 NE2 HIS A 26 -9.168 3.887 -2.184 1.00 0.00 N ATOM 0 H HIS A 26 -7.973 -0.387 -0.934 1.00 0.00 H new ATOM 0 HA HIS A 26 -9.617 -0.941 -2.326 1.00 0.00 H new ATOM 0 HB2 HIS A 26 -8.064 0.724 -4.344 1.00 0.00 H new ATOM 0 HB3 HIS A 26 -9.769 0.330 -4.425 1.00 0.00 H new ATOM 0 HD1 HIS A 26 -11.392 1.646 -2.662 1.00 0.00 H new ATOM 0 HD2 HIS A 26 -7.349 2.829 -2.876 1.00 0.00 H new ATOM 0 HE1 HIS A 26 -11.265 4.025 -1.732 1.00 0.00 H new ATOM 454 N HIS A 27 -7.997 -3.047 -3.109 1.00 0.00 N ATOM 455 CA HIS A 27 -7.677 -4.322 -3.754 1.00 0.00 C ATOM 456 C HIS A 27 -6.441 -4.283 -4.669 1.00 0.00 C ATOM 457 O HIS A 27 -6.189 -5.253 -5.386 1.00 0.00 O ATOM 458 CB HIS A 27 -8.910 -4.912 -4.464 1.00 0.00 C ATOM 459 CG HIS A 27 -9.959 -5.409 -3.505 1.00 0.00 C ATOM 460 ND1 HIS A 27 -10.031 -6.683 -2.992 1.00 0.00 N ATOM 461 CD2 HIS A 27 -10.942 -4.665 -2.911 1.00 0.00 C ATOM 462 CE1 HIS A 27 -11.029 -6.701 -2.094 1.00 0.00 C ATOM 463 NE2 HIS A 27 -11.623 -5.497 -2.019 1.00 0.00 N ATOM 0 H HIS A 27 -7.908 -3.087 -2.094 1.00 0.00 H new ATOM 0 HA HIS A 27 -7.394 -4.996 -2.946 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -9.348 -4.152 -5.111 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -8.594 -5.734 -5.106 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -11.153 -3.623 -3.098 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -11.315 -7.564 -1.512 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -12.414 -5.242 -1.428 1.00 0.00 H new ATOM 471 N LYS A 28 -5.633 -3.218 -4.630 1.00 0.00 N ATOM 472 CA LYS A 28 -4.413 -3.124 -5.421 1.00 0.00 C ATOM 473 C LYS A 28 -3.209 -2.956 -4.511 1.00 0.00 C ATOM 474 O LYS A 28 -3.281 -2.193 -3.547 1.00 0.00 O ATOM 475 CB LYS A 28 -4.527 -1.963 -6.400 1.00 0.00 C ATOM 476 CG LYS A 28 -5.362 -2.387 -7.615 1.00 0.00 C ATOM 477 CD LYS A 28 -6.521 -1.418 -7.847 1.00 0.00 C ATOM 478 CE LYS A 28 -6.859 -1.369 -9.338 1.00 0.00 C ATOM 479 NZ LYS A 28 -7.931 -0.396 -9.602 1.00 0.00 N ATOM 0 H LYS A 28 -5.811 -2.400 -4.048 1.00 0.00 H new ATOM 0 HA LYS A 28 -4.277 -4.044 -5.989 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -4.990 -1.107 -5.910 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -3.534 -1.648 -6.722 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -4.729 -2.422 -8.502 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -5.750 -3.394 -7.461 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -7.394 -1.736 -7.276 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -6.253 -0.423 -7.492 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -5.970 -1.100 -9.908 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -7.168 -2.358 -9.678 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -8.143 -0.381 -10.620 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -8.785 -0.669 -9.075 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -7.624 0.550 -9.298 1.00 0.00 H new ATOM 493 N VAL A 29 -2.124 -3.677 -4.815 1.00 0.00 N ATOM 494 CA VAL A 29 -0.915 -3.664 -4.018 1.00 0.00 C ATOM 495 C VAL A 29 -0.016 -2.550 -4.544 1.00 0.00 C ATOM 496 O VAL A 29 0.334 -2.515 -5.729 1.00 0.00 O ATOM 497 CB VAL A 29 -0.207 -5.032 -4.005 1.00 0.00 C ATOM 498 CG1 VAL A 29 0.818 -5.050 -2.860 1.00 0.00 C ATOM 499 CG2 VAL A 29 -1.174 -6.212 -3.835 1.00 0.00 C ATOM 0 H VAL A 29 -2.071 -4.288 -5.630 1.00 0.00 H new ATOM 0 HA VAL A 29 -1.167 -3.468 -2.976 1.00 0.00 H new ATOM 0 HB VAL A 29 0.276 -5.155 -4.974 1.00 0.00 H new ATOM 0 HG11 VAL A 29 1.326 -6.014 -2.841 1.00 0.00 H new ATOM 0 HG12 VAL A 29 1.550 -4.257 -3.015 1.00 0.00 H new ATOM 0 HG13 VAL A 29 0.306 -4.891 -1.911 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -0.612 -7.146 -3.834 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -1.710 -6.110 -2.891 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -1.888 -6.219 -4.659 1.00 0.00 H new ATOM 509 N TYR A 30 0.335 -1.634 -3.647 1.00 0.00 N ATOM 510 CA TYR A 30 1.191 -0.497 -3.912 1.00 0.00 C ATOM 511 C TYR A 30 2.456 -0.640 -3.066 1.00 0.00 C ATOM 512 O TYR A 30 2.353 -0.856 -1.856 1.00 0.00 O ATOM 513 CB TYR A 30 0.406 0.777 -3.579 1.00 0.00 C ATOM 514 CG TYR A 30 -0.820 0.968 -4.452 1.00 0.00 C ATOM 515 CD1 TYR A 30 -0.645 1.336 -5.791 1.00 0.00 C ATOM 516 CD2 TYR A 30 -2.118 0.715 -3.974 1.00 0.00 C ATOM 517 CE1 TYR A 30 -1.751 1.479 -6.642 1.00 0.00 C ATOM 518 CE2 TYR A 30 -3.229 0.970 -4.801 1.00 0.00 C ATOM 519 CZ TYR A 30 -3.045 1.347 -6.135 1.00 0.00 C ATOM 520 OH TYR A 30 -4.107 1.726 -6.903 1.00 0.00 O ATOM 0 H TYR A 30 0.015 -1.671 -2.679 1.00 0.00 H new ATOM 0 HA TYR A 30 1.493 -0.444 -4.958 1.00 0.00 H new ATOM 0 HB2 TYR A 30 0.098 0.744 -2.534 1.00 0.00 H new ATOM 0 HB3 TYR A 30 1.062 1.640 -3.691 1.00 0.00 H new ATOM 0 HD1 TYR A 30 0.350 1.511 -6.172 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -2.262 0.327 -2.977 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -1.601 1.691 -7.690 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -4.228 0.874 -4.403 1.00 0.00 H new ATOM 0 HH TYR A 30 -4.131 2.704 -6.968 1.00 0.00 H new ATOM 530 N ASP A 31 3.630 -0.539 -3.703 1.00 0.00 N ATOM 531 CA ASP A 31 4.915 -0.441 -3.014 1.00 0.00 C ATOM 532 C ASP A 31 5.179 1.037 -2.776 1.00 0.00 C ATOM 533 O ASP A 31 5.122 1.824 -3.721 1.00 0.00 O ATOM 534 CB ASP A 31 6.055 -1.052 -3.847 1.00 0.00 C ATOM 535 CG ASP A 31 7.400 -1.020 -3.126 1.00 0.00 C ATOM 536 OD1 ASP A 31 7.773 0.053 -2.605 1.00 0.00 O ATOM 537 OD2 ASP A 31 8.049 -2.087 -3.058 1.00 0.00 O ATOM 0 H ASP A 31 3.711 -0.523 -4.720 1.00 0.00 H new ATOM 0 HA ASP A 31 4.876 -0.997 -2.077 1.00 0.00 H new ATOM 0 HB2 ASP A 31 5.805 -2.084 -4.094 1.00 0.00 H new ATOM 0 HB3 ASP A 31 6.140 -0.511 -4.789 1.00 0.00 H new ATOM 542 N LEU A 32 5.437 1.418 -1.525 1.00 0.00 N ATOM 543 CA LEU A 32 5.680 2.809 -1.172 1.00 0.00 C ATOM 544 C LEU A 32 7.055 2.972 -0.512 1.00 0.00 C ATOM 545 O LEU A 32 7.298 3.938 0.207 1.00 0.00 O ATOM 546 CB LEU A 32 4.502 3.294 -0.312 1.00 0.00 C ATOM 547 CG LEU A 32 3.147 3.145 -1.042 1.00 0.00 C ATOM 548 CD1 LEU A 32 2.000 3.359 -0.070 1.00 0.00 C ATOM 549 CD2 LEU A 32 2.946 4.097 -2.232 1.00 0.00 C ATOM 0 H LEU A 32 5.482 0.773 -0.736 1.00 0.00 H new ATOM 0 HA LEU A 32 5.724 3.442 -2.058 1.00 0.00 H new ATOM 0 HB2 LEU A 32 4.476 2.727 0.619 1.00 0.00 H new ATOM 0 HB3 LEU A 32 4.656 4.339 -0.044 1.00 0.00 H new ATOM 0 HG LEU A 32 3.159 2.131 -1.442 1.00 0.00 H new ATOM 0 HD11 LEU A 32 1.052 3.251 -0.597 1.00 0.00 H new ATOM 0 HD12 LEU A 32 2.057 2.620 0.729 1.00 0.00 H new ATOM 0 HD13 LEU A 32 2.066 4.360 0.357 1.00 0.00 H new ATOM 0 HD21 LEU A 32 1.968 3.918 -2.680 1.00 0.00 H new ATOM 0 HD22 LEU A 32 3.004 5.129 -1.886 1.00 0.00 H new ATOM 0 HD23 LEU A 32 3.723 3.920 -2.975 1.00 0.00 H new ATOM 561 N THR A 33 7.988 2.063 -0.799 1.00 0.00 N ATOM 562 CA THR A 33 9.297 2.009 -0.163 1.00 0.00 C ATOM 563 C THR A 33 10.107 3.277 -0.424 1.00 0.00 C ATOM 564 O THR A 33 10.630 3.881 0.508 1.00 0.00 O ATOM 565 CB THR A 33 10.018 0.734 -0.607 1.00 0.00 C ATOM 566 OG1 THR A 33 9.137 -0.350 -0.404 1.00 0.00 O ATOM 567 CG2 THR A 33 11.302 0.492 0.191 1.00 0.00 C ATOM 0 H THR A 33 7.848 1.331 -1.495 1.00 0.00 H new ATOM 0 HA THR A 33 9.173 1.968 0.919 1.00 0.00 H new ATOM 0 HB THR A 33 10.300 0.836 -1.655 1.00 0.00 H new ATOM 0 HG1 THR A 33 8.617 -0.506 -1.220 1.00 0.00 H new ATOM 0 HG21 THR A 33 11.780 -0.423 -0.158 1.00 0.00 H new ATOM 0 HG22 THR A 33 11.981 1.333 0.051 1.00 0.00 H new ATOM 0 HG23 THR A 33 11.060 0.394 1.249 1.00 0.00 H new ATOM 575 N LYS A 34 10.183 3.721 -1.679 1.00 0.00 N ATOM 576 CA LYS A 34 10.819 4.991 -2.004 1.00 0.00 C ATOM 577 C LYS A 34 9.814 6.146 -1.965 1.00 0.00 C ATOM 578 O LYS A 34 10.034 7.166 -2.610 1.00 0.00 O ATOM 579 CB LYS A 34 11.521 4.874 -3.360 1.00 0.00 C ATOM 580 CG LYS A 34 12.680 3.869 -3.283 1.00 0.00 C ATOM 581 CD LYS A 34 13.760 4.195 -4.333 1.00 0.00 C ATOM 582 CE LYS A 34 13.303 3.968 -5.783 1.00 0.00 C ATOM 583 NZ LYS A 34 13.350 2.542 -6.166 1.00 0.00 N ATOM 0 H LYS A 34 9.811 3.218 -2.485 1.00 0.00 H new ATOM 0 HA LYS A 34 11.571 5.221 -1.249 1.00 0.00 H new ATOM 0 HB2 LYS A 34 10.807 4.556 -4.119 1.00 0.00 H new ATOM 0 HB3 LYS A 34 11.898 5.850 -3.666 1.00 0.00 H new ATOM 0 HG2 LYS A 34 13.119 3.889 -2.285 1.00 0.00 H new ATOM 0 HG3 LYS A 34 12.303 2.859 -3.445 1.00 0.00 H new ATOM 0 HD2 LYS A 34 14.065 5.235 -4.216 1.00 0.00 H new ATOM 0 HD3 LYS A 34 14.640 3.581 -4.139 1.00 0.00 H new ATOM 0 HE2 LYS A 34 12.286 4.342 -5.904 1.00 0.00 H new ATOM 0 HE3 LYS A 34 13.937 4.544 -6.457 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 13.034 2.437 -7.151 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 14.325 2.190 -6.076 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 12.725 1.994 -5.541 1.00 0.00 H new ATOM 597 N PHE A 35 8.723 5.995 -1.207 1.00 0.00 N ATOM 598 CA PHE A 35 7.753 7.052 -0.970 1.00 0.00 C ATOM 599 C PHE A 35 7.625 7.360 0.525 1.00 0.00 C ATOM 600 O PHE A 35 6.923 8.292 0.893 1.00 0.00 O ATOM 601 CB PHE A 35 6.416 6.637 -1.590 1.00 0.00 C ATOM 602 CG PHE A 35 5.314 7.677 -1.537 1.00 0.00 C ATOM 603 CD1 PHE A 35 5.530 8.975 -2.035 1.00 0.00 C ATOM 604 CD2 PHE A 35 4.070 7.350 -0.968 1.00 0.00 C ATOM 605 CE1 PHE A 35 4.529 9.953 -1.919 1.00 0.00 C ATOM 606 CE2 PHE A 35 3.060 8.318 -0.873 1.00 0.00 C ATOM 607 CZ PHE A 35 3.297 9.627 -1.325 1.00 0.00 C ATOM 0 H PHE A 35 8.492 5.120 -0.737 1.00 0.00 H new ATOM 0 HA PHE A 35 8.089 7.975 -1.443 1.00 0.00 H new ATOM 0 HB2 PHE A 35 6.588 6.370 -2.633 1.00 0.00 H new ATOM 0 HB3 PHE A 35 6.066 5.737 -1.084 1.00 0.00 H new ATOM 0 HD1 PHE A 35 6.469 9.220 -2.508 1.00 0.00 H new ATOM 0 HD2 PHE A 35 3.892 6.349 -0.603 1.00 0.00 H new ATOM 0 HE1 PHE A 35 4.705 10.954 -2.285 1.00 0.00 H new ATOM 0 HE2 PHE A 35 2.100 8.057 -0.452 1.00 0.00 H new ATOM 0 HZ PHE A 35 2.533 10.383 -1.216 1.00 0.00 H new ATOM 617 N LEU A 36 8.305 6.607 1.397 1.00 0.00 N ATOM 618 CA LEU A 36 8.157 6.721 2.839 1.00 0.00 C ATOM 619 C LEU A 36 8.319 8.164 3.323 1.00 0.00 C ATOM 620 O LEU A 36 7.383 8.745 3.866 1.00 0.00 O ATOM 621 CB LEU A 36 9.158 5.777 3.516 1.00 0.00 C ATOM 622 CG LEU A 36 8.827 4.289 3.342 1.00 0.00 C ATOM 623 CD1 LEU A 36 9.815 3.441 4.150 1.00 0.00 C ATOM 624 CD2 LEU A 36 7.403 3.958 3.787 1.00 0.00 C ATOM 0 H LEU A 36 8.979 5.896 1.111 1.00 0.00 H new ATOM 0 HA LEU A 36 7.144 6.428 3.115 1.00 0.00 H new ATOM 0 HB2 LEU A 36 10.152 5.967 3.112 1.00 0.00 H new ATOM 0 HB3 LEU A 36 9.197 6.008 4.581 1.00 0.00 H new ATOM 0 HG LEU A 36 8.908 4.061 2.279 1.00 0.00 H new ATOM 0 HD11 LEU A 36 9.576 2.385 4.024 1.00 0.00 H new ATOM 0 HD12 LEU A 36 10.829 3.629 3.797 1.00 0.00 H new ATOM 0 HD13 LEU A 36 9.743 3.705 5.205 1.00 0.00 H new ATOM 0 HD21 LEU A 36 7.216 2.894 3.645 1.00 0.00 H new ATOM 0 HD22 LEU A 36 7.283 4.210 4.841 1.00 0.00 H new ATOM 0 HD23 LEU A 36 6.693 4.534 3.193 1.00 0.00 H new ATOM 636 N GLU A 37 9.505 8.746 3.129 1.00 0.00 N ATOM 637 CA GLU A 37 9.787 10.098 3.594 1.00 0.00 C ATOM 638 C GLU A 37 9.073 11.141 2.721 1.00 0.00 C ATOM 639 O GLU A 37 8.572 12.142 3.228 1.00 0.00 O ATOM 640 CB GLU A 37 11.308 10.293 3.678 1.00 0.00 C ATOM 641 CG GLU A 37 11.681 11.598 4.396 1.00 0.00 C ATOM 642 CD GLU A 37 13.071 11.520 5.015 1.00 0.00 C ATOM 643 OE1 GLU A 37 13.181 10.858 6.068 1.00 0.00 O ATOM 644 OE2 GLU A 37 13.996 12.115 4.422 1.00 0.00 O ATOM 0 H GLU A 37 10.286 8.296 2.651 1.00 0.00 H new ATOM 0 HA GLU A 37 9.387 10.245 4.597 1.00 0.00 H new ATOM 0 HB2 GLU A 37 11.753 9.449 4.205 1.00 0.00 H new ATOM 0 HB3 GLU A 37 11.729 10.299 2.673 1.00 0.00 H new ATOM 0 HG2 GLU A 37 11.643 12.427 3.689 1.00 0.00 H new ATOM 0 HG3 GLU A 37 10.947 11.809 5.174 1.00 0.00 H new ATOM 651 N GLU A 38 9.009 10.894 1.407 1.00 0.00 N ATOM 652 CA GLU A 38 8.311 11.747 0.443 1.00 0.00 C ATOM 653 C GLU A 38 6.853 11.991 0.853 1.00 0.00 C ATOM 654 O GLU A 38 6.360 13.115 0.772 1.00 0.00 O ATOM 655 CB GLU A 38 8.376 11.097 -0.952 1.00 0.00 C ATOM 656 CG GLU A 38 9.428 11.720 -1.882 1.00 0.00 C ATOM 657 CD GLU A 38 8.770 12.607 -2.933 1.00 0.00 C ATOM 658 OE1 GLU A 38 8.394 13.740 -2.566 1.00 0.00 O ATOM 659 OE2 GLU A 38 8.625 12.119 -4.073 1.00 0.00 O ATOM 0 H GLU A 38 9.450 10.080 0.978 1.00 0.00 H new ATOM 0 HA GLU A 38 8.806 12.718 0.420 1.00 0.00 H new ATOM 0 HB2 GLU A 38 8.591 10.035 -0.837 1.00 0.00 H new ATOM 0 HB3 GLU A 38 7.397 11.175 -1.424 1.00 0.00 H new ATOM 0 HG2 GLU A 38 10.135 12.307 -1.296 1.00 0.00 H new ATOM 0 HG3 GLU A 38 9.998 10.931 -2.372 1.00 0.00 H new ATOM 666 N HIS A 39 6.147 10.931 1.251 1.00 0.00 N ATOM 667 CA HIS A 39 4.750 10.993 1.645 1.00 0.00 C ATOM 668 C HIS A 39 4.544 12.104 2.678 1.00 0.00 C ATOM 669 O HIS A 39 5.092 12.012 3.775 1.00 0.00 O ATOM 670 CB HIS A 39 4.332 9.637 2.219 1.00 0.00 C ATOM 671 CG HIS A 39 2.921 9.565 2.752 1.00 0.00 C ATOM 672 ND1 HIS A 39 2.562 9.076 3.986 1.00 0.00 N ATOM 673 CD2 HIS A 39 1.765 9.784 2.051 1.00 0.00 C ATOM 674 CE1 HIS A 39 1.226 9.013 4.028 1.00 0.00 C ATOM 675 NE2 HIS A 39 0.687 9.435 2.873 1.00 0.00 N ATOM 0 H HIS A 39 6.542 9.992 1.307 1.00 0.00 H new ATOM 0 HA HIS A 39 4.132 11.219 0.776 1.00 0.00 H new ATOM 0 HB2 HIS A 39 4.447 8.882 1.442 1.00 0.00 H new ATOM 0 HB3 HIS A 39 5.020 9.375 3.023 1.00 0.00 H new ATOM 0 HD1 HIS A 39 3.200 8.809 4.736 1.00 0.00 H new ATOM 0 HD2 HIS A 39 1.697 10.160 1.041 1.00 0.00 H new ATOM 0 HE1 HIS A 39 0.657 8.668 4.879 1.00 0.00 H new ATOM 683 N PRO A 40 3.730 13.132 2.390 1.00 0.00 N ATOM 684 CA PRO A 40 3.512 14.225 3.325 1.00 0.00 C ATOM 685 C PRO A 40 2.805 13.736 4.594 1.00 0.00 C ATOM 686 O PRO A 40 2.942 14.354 5.646 1.00 0.00 O ATOM 687 CB PRO A 40 2.701 15.272 2.558 1.00 0.00 C ATOM 688 CG PRO A 40 1.959 14.437 1.521 1.00 0.00 C ATOM 689 CD PRO A 40 2.953 13.330 1.178 1.00 0.00 C ATOM 0 HA PRO A 40 4.450 14.655 3.677 1.00 0.00 H new ATOM 0 HB2 PRO A 40 2.013 15.808 3.212 1.00 0.00 H new ATOM 0 HB3 PRO A 40 3.344 16.018 2.091 1.00 0.00 H new ATOM 0 HG2 PRO A 40 1.030 14.032 1.922 1.00 0.00 H new ATOM 0 HG3 PRO A 40 1.697 15.027 0.643 1.00 0.00 H new ATOM 0 HD2 PRO A 40 2.439 12.415 0.885 1.00 0.00 H new ATOM 0 HD3 PRO A 40 3.591 13.618 0.343 1.00 0.00 H new ATOM 697 N GLY A 41 2.076 12.614 4.520 1.00 0.00 N ATOM 698 CA GLY A 41 1.507 11.973 5.696 1.00 0.00 C ATOM 699 C GLY A 41 2.533 11.184 6.515 1.00 0.00 C ATOM 700 O GLY A 41 2.180 10.624 7.551 1.00 0.00 O ATOM 0 H GLY A 41 1.869 12.133 3.644 1.00 0.00 H new ATOM 0 HA2 GLY A 41 1.053 12.734 6.331 1.00 0.00 H new ATOM 0 HA3 GLY A 41 0.708 11.301 5.383 1.00 0.00 H new ATOM 704 N GLY A 42 3.790 11.119 6.066 1.00 0.00 N ATOM 705 CA GLY A 42 4.893 10.560 6.823 1.00 0.00 C ATOM 706 C GLY A 42 5.169 9.102 6.542 1.00 0.00 C ATOM 707 O GLY A 42 4.315 8.369 6.041 1.00 0.00 O ATOM 0 H GLY A 42 4.066 11.463 5.146 1.00 0.00 H new ATOM 0 HA2 GLY A 42 5.793 11.135 6.608 1.00 0.00 H new ATOM 0 HA3 GLY A 42 4.685 10.679 7.886 1.00 0.00 H new ATOM 711 N GLU A 43 6.368 8.671 6.936 1.00 0.00 N ATOM 712 CA GLU A 43 6.785 7.301 6.743 1.00 0.00 C ATOM 713 C GLU A 43 6.037 6.393 7.724 1.00 0.00 C ATOM 714 O GLU A 43 5.686 5.260 7.404 1.00 0.00 O ATOM 715 CB GLU A 43 8.311 7.182 6.963 1.00 0.00 C ATOM 716 CG GLU A 43 8.763 5.729 7.232 1.00 0.00 C ATOM 717 CD GLU A 43 10.267 5.493 7.122 1.00 0.00 C ATOM 718 OE1 GLU A 43 10.943 6.318 6.478 1.00 0.00 O ATOM 719 OE2 GLU A 43 10.706 4.445 7.651 1.00 0.00 O ATOM 0 H GLU A 43 7.063 9.262 7.392 1.00 0.00 H new ATOM 0 HA GLU A 43 6.552 6.992 5.724 1.00 0.00 H new ATOM 0 HB2 GLU A 43 8.831 7.563 6.084 1.00 0.00 H new ATOM 0 HB3 GLU A 43 8.603 7.811 7.804 1.00 0.00 H new ATOM 0 HG2 GLU A 43 8.437 5.442 8.232 1.00 0.00 H new ATOM 0 HG3 GLU A 43 8.254 5.070 6.529 1.00 0.00 H new ATOM 726 N GLU A 44 5.856 6.865 8.958 1.00 0.00 N ATOM 727 CA GLU A 44 5.411 6.023 10.051 1.00 0.00 C ATOM 728 C GLU A 44 4.047 5.410 9.737 1.00 0.00 C ATOM 729 O GLU A 44 3.930 4.189 9.700 1.00 0.00 O ATOM 730 CB GLU A 44 5.406 6.805 11.366 1.00 0.00 C ATOM 731 CG GLU A 44 5.297 5.817 12.536 1.00 0.00 C ATOM 732 CD GLU A 44 4.877 6.526 13.815 1.00 0.00 C ATOM 733 OE1 GLU A 44 3.719 6.992 13.838 1.00 0.00 O ATOM 734 OE2 GLU A 44 5.728 6.608 14.727 1.00 0.00 O ATOM 0 H GLU A 44 6.015 7.838 9.220 1.00 0.00 H new ATOM 0 HA GLU A 44 6.114 5.199 10.170 1.00 0.00 H new ATOM 0 HB2 GLU A 44 6.318 7.396 11.456 1.00 0.00 H new ATOM 0 HB3 GLU A 44 4.570 7.504 11.385 1.00 0.00 H new ATOM 0 HG2 GLU A 44 4.573 5.039 12.293 1.00 0.00 H new ATOM 0 HG3 GLU A 44 6.256 5.323 12.689 1.00 0.00 H new ATOM 741 N VAL A 45 3.024 6.233 9.468 1.00 0.00 N ATOM 742 CA VAL A 45 1.697 5.749 9.165 1.00 0.00 C ATOM 743 C VAL A 45 1.741 4.724 8.019 1.00 0.00 C ATOM 744 O VAL A 45 1.069 3.694 8.079 1.00 0.00 O ATOM 745 CB VAL A 45 0.799 6.974 8.924 1.00 0.00 C ATOM 746 CG1 VAL A 45 0.975 7.619 7.544 1.00 0.00 C ATOM 747 CG2 VAL A 45 -0.642 6.636 9.206 1.00 0.00 C ATOM 0 H VAL A 45 3.107 7.250 9.458 1.00 0.00 H new ATOM 0 HA VAL A 45 1.262 5.192 9.994 1.00 0.00 H new ATOM 0 HB VAL A 45 1.126 7.737 9.631 1.00 0.00 H new ATOM 0 HG11 VAL A 45 0.306 8.475 7.455 1.00 0.00 H new ATOM 0 HG12 VAL A 45 2.007 7.950 7.426 1.00 0.00 H new ATOM 0 HG13 VAL A 45 0.737 6.890 6.769 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -1.263 7.514 9.030 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -0.962 5.828 8.548 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -0.745 6.321 10.244 1.00 0.00 H new ATOM 757 N LEU A 46 2.600 4.964 7.018 1.00 0.00 N ATOM 758 CA LEU A 46 2.888 3.983 5.983 1.00 0.00 C ATOM 759 C LEU A 46 3.384 2.668 6.596 1.00 0.00 C ATOM 760 O LEU A 46 2.750 1.627 6.416 1.00 0.00 O ATOM 761 CB LEU A 46 3.842 4.553 4.913 1.00 0.00 C ATOM 762 CG LEU A 46 3.119 5.457 3.908 1.00 0.00 C ATOM 763 CD1 LEU A 46 4.130 6.321 3.144 1.00 0.00 C ATOM 764 CD2 LEU A 46 2.383 4.606 2.876 1.00 0.00 C ATOM 0 H LEU A 46 3.108 5.842 6.911 1.00 0.00 H new ATOM 0 HA LEU A 46 1.959 3.751 5.462 1.00 0.00 H new ATOM 0 HB2 LEU A 46 4.635 5.119 5.402 1.00 0.00 H new ATOM 0 HB3 LEU A 46 4.319 3.730 4.380 1.00 0.00 H new ATOM 0 HG LEU A 46 2.422 6.084 4.465 1.00 0.00 H new ATOM 0 HD11 LEU A 46 3.602 6.957 2.434 1.00 0.00 H new ATOM 0 HD12 LEU A 46 4.682 6.943 3.848 1.00 0.00 H new ATOM 0 HD13 LEU A 46 4.826 5.677 2.606 1.00 0.00 H new ATOM 0 HD21 LEU A 46 1.872 5.256 2.166 1.00 0.00 H new ATOM 0 HD22 LEU A 46 3.099 3.979 2.344 1.00 0.00 H new ATOM 0 HD23 LEU A 46 1.652 3.974 3.380 1.00 0.00 H new ATOM 776 N ARG A 47 4.506 2.699 7.319 1.00 0.00 N ATOM 777 CA ARG A 47 5.143 1.481 7.820 1.00 0.00 C ATOM 778 C ARG A 47 4.344 0.733 8.888 1.00 0.00 C ATOM 779 O ARG A 47 4.462 -0.488 9.029 1.00 0.00 O ATOM 780 CB ARG A 47 6.597 1.750 8.229 1.00 0.00 C ATOM 781 CG ARG A 47 7.499 1.395 7.047 1.00 0.00 C ATOM 782 CD ARG A 47 8.958 1.720 7.345 1.00 0.00 C ATOM 783 NE ARG A 47 9.489 0.889 8.432 1.00 0.00 N ATOM 784 CZ ARG A 47 10.679 1.078 9.020 1.00 0.00 C ATOM 785 NH1 ARG A 47 11.427 2.148 8.725 1.00 0.00 N ATOM 786 NH2 ARG A 47 11.118 0.181 9.908 1.00 0.00 N ATOM 0 H ARG A 47 4.993 3.559 7.571 1.00 0.00 H new ATOM 0 HA ARG A 47 5.157 0.783 6.983 1.00 0.00 H new ATOM 0 HB2 ARG A 47 6.727 2.796 8.505 1.00 0.00 H new ATOM 0 HB3 ARG A 47 6.863 1.154 9.102 1.00 0.00 H new ATOM 0 HG2 ARG A 47 7.400 0.334 6.818 1.00 0.00 H new ATOM 0 HG3 ARG A 47 7.176 1.944 6.163 1.00 0.00 H new ATOM 0 HD2 ARG A 47 9.555 1.568 6.446 1.00 0.00 H new ATOM 0 HD3 ARG A 47 9.049 2.772 7.614 1.00 0.00 H new ATOM 0 HE ARG A 47 8.913 0.115 8.763 1.00 0.00 H new ATOM 0 HH11 ARG A 47 11.094 2.832 8.046 1.00 0.00 H new ATOM 0 HH12 ARG A 47 12.330 2.280 9.180 1.00 0.00 H new ATOM 0 HH21 ARG A 47 10.549 -0.636 10.131 1.00 0.00 H new ATOM 0 HH22 ARG A 47 12.022 0.313 10.362 1.00 0.00 H new ATOM 800 N GLU A 48 3.510 1.457 9.620 1.00 0.00 N ATOM 801 CA GLU A 48 2.616 0.907 10.611 1.00 0.00 C ATOM 802 C GLU A 48 1.645 -0.063 9.942 1.00 0.00 C ATOM 803 O GLU A 48 1.614 -1.251 10.274 1.00 0.00 O ATOM 804 CB GLU A 48 1.884 2.070 11.295 1.00 0.00 C ATOM 805 CG GLU A 48 2.584 2.484 12.594 1.00 0.00 C ATOM 806 CD GLU A 48 2.377 1.433 13.679 1.00 0.00 C ATOM 807 OE1 GLU A 48 1.285 1.458 14.286 1.00 0.00 O ATOM 808 OE2 GLU A 48 3.285 0.590 13.842 1.00 0.00 O ATOM 0 H GLU A 48 3.440 2.471 9.533 1.00 0.00 H new ATOM 0 HA GLU A 48 3.166 0.346 11.367 1.00 0.00 H new ATOM 0 HB2 GLU A 48 1.838 2.922 10.617 1.00 0.00 H new ATOM 0 HB3 GLU A 48 0.856 1.779 11.511 1.00 0.00 H new ATOM 0 HG2 GLU A 48 3.650 2.619 12.411 1.00 0.00 H new ATOM 0 HG3 GLU A 48 2.194 3.444 12.932 1.00 0.00 H new ATOM 815 N GLN A 49 0.863 0.453 8.994 1.00 0.00 N ATOM 816 CA GLN A 49 -0.256 -0.265 8.394 1.00 0.00 C ATOM 817 C GLN A 49 0.169 -1.156 7.233 1.00 0.00 C ATOM 818 O GLN A 49 -0.551 -2.071 6.836 1.00 0.00 O ATOM 819 CB GLN A 49 -1.295 0.750 7.924 1.00 0.00 C ATOM 820 CG GLN A 49 -2.417 0.891 8.956 1.00 0.00 C ATOM 821 CD GLN A 49 -3.278 -0.363 9.088 1.00 0.00 C ATOM 822 OE1 GLN A 49 -3.134 -1.303 8.316 1.00 0.00 O ATOM 823 NE2 GLN A 49 -4.178 -0.370 10.062 1.00 0.00 N ATOM 0 H GLN A 49 0.992 1.392 8.618 1.00 0.00 H new ATOM 0 HA GLN A 49 -0.677 -0.925 9.153 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -0.819 1.717 7.762 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -1.711 0.436 6.967 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -1.981 1.127 9.927 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -3.053 1.732 8.679 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -4.264 0.435 10.683 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -4.784 -1.180 10.191 1.00 0.00 H new ATOM 832 N ALA A 50 1.334 -0.873 6.661 1.00 0.00 N ATOM 833 CA ALA A 50 1.993 -1.782 5.743 1.00 0.00 C ATOM 834 C ALA A 50 1.907 -3.241 6.181 1.00 0.00 C ATOM 835 O ALA A 50 1.855 -3.560 7.368 1.00 0.00 O ATOM 836 CB ALA A 50 3.440 -1.368 5.539 1.00 0.00 C ATOM 0 H ALA A 50 1.845 -0.005 6.824 1.00 0.00 H new ATOM 0 HA ALA A 50 1.460 -1.713 4.795 1.00 0.00 H new ATOM 0 HB1 ALA A 50 3.922 -2.059 4.848 1.00 0.00 H new ATOM 0 HB2 ALA A 50 3.475 -0.359 5.127 1.00 0.00 H new ATOM 0 HB3 ALA A 50 3.962 -1.388 6.495 1.00 0.00 H new ATOM 842 N GLY A 51 1.906 -4.115 5.179 1.00 0.00 N ATOM 843 CA GLY A 51 1.658 -5.533 5.343 1.00 0.00 C ATOM 844 C GLY A 51 0.356 -5.960 4.667 1.00 0.00 C ATOM 845 O GLY A 51 -0.015 -7.128 4.717 1.00 0.00 O ATOM 0 H GLY A 51 2.082 -3.845 4.211 1.00 0.00 H new ATOM 0 HA2 GLY A 51 2.489 -6.099 4.922 1.00 0.00 H new ATOM 0 HA3 GLY A 51 1.613 -5.774 6.405 1.00 0.00 H new ATOM 849 N GLY A 52 -0.326 -5.031 3.991 1.00 0.00 N ATOM 850 CA GLY A 52 -1.425 -5.376 3.112 1.00 0.00 C ATOM 851 C GLY A 52 -2.773 -5.364 3.815 1.00 0.00 C ATOM 852 O GLY A 52 -3.521 -6.324 3.679 1.00 0.00 O ATOM 0 H GLY A 52 -0.128 -4.032 4.042 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -1.450 -4.675 2.278 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -1.250 -6.366 2.691 1.00 0.00 H new ATOM 856 N ASP A 53 -3.109 -4.244 4.467 1.00 0.00 N ATOM 857 CA ASP A 53 -4.483 -3.922 4.853 1.00 0.00 C ATOM 858 C ASP A 53 -4.591 -2.439 5.216 1.00 0.00 C ATOM 859 O ASP A 53 -5.131 -2.072 6.249 1.00 0.00 O ATOM 860 CB ASP A 53 -4.986 -4.859 5.978 1.00 0.00 C ATOM 861 CG ASP A 53 -5.864 -6.002 5.479 1.00 0.00 C ATOM 862 OD1 ASP A 53 -6.703 -5.735 4.588 1.00 0.00 O ATOM 863 OD2 ASP A 53 -5.709 -7.116 6.025 1.00 0.00 O ATOM 0 H ASP A 53 -2.430 -3.534 4.742 1.00 0.00 H new ATOM 0 HA ASP A 53 -5.143 -4.096 4.003 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -4.126 -5.276 6.503 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -5.548 -4.271 6.704 1.00 0.00 H new ATOM 868 N ALA A 54 -4.085 -1.551 4.356 1.00 0.00 N ATOM 869 CA ALA A 54 -4.038 -0.131 4.686 1.00 0.00 C ATOM 870 C ALA A 54 -5.229 0.647 4.130 1.00 0.00 C ATOM 871 O ALA A 54 -5.378 1.828 4.453 1.00 0.00 O ATOM 872 CB ALA A 54 -2.732 0.443 4.170 1.00 0.00 C ATOM 0 H ALA A 54 -3.708 -1.789 3.439 1.00 0.00 H new ATOM 0 HA ALA A 54 -4.095 -0.031 5.770 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -2.682 1.505 4.409 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -1.896 -0.075 4.640 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -2.679 0.312 3.089 1.00 0.00 H new ATOM 878 N THR A 55 -6.057 0.020 3.281 1.00 0.00 N ATOM 879 CA THR A 55 -7.248 0.665 2.734 1.00 0.00 C ATOM 880 C THR A 55 -8.034 1.349 3.859 1.00 0.00 C ATOM 881 O THR A 55 -8.389 2.519 3.727 1.00 0.00 O ATOM 882 CB THR A 55 -8.147 -0.316 1.957 1.00 0.00 C ATOM 883 OG1 THR A 55 -7.452 -1.059 0.972 1.00 0.00 O ATOM 884 CG2 THR A 55 -9.208 0.486 1.195 1.00 0.00 C ATOM 0 H THR A 55 -5.918 -0.938 2.960 1.00 0.00 H new ATOM 0 HA THR A 55 -6.915 1.415 2.017 1.00 0.00 H new ATOM 0 HB THR A 55 -8.559 -1.000 2.699 1.00 0.00 H new ATOM 0 HG1 THR A 55 -6.530 -1.212 1.268 1.00 0.00 H new ATOM 0 HG21 THR A 55 -9.851 -0.197 0.640 1.00 0.00 H new ATOM 0 HG22 THR A 55 -9.809 1.058 1.902 1.00 0.00 H new ATOM 0 HG23 THR A 55 -8.719 1.168 0.500 1.00 0.00 H new ATOM 892 N GLU A 56 -8.260 0.626 4.961 1.00 0.00 N ATOM 893 CA GLU A 56 -8.960 1.114 6.139 1.00 0.00 C ATOM 894 C GLU A 56 -8.467 2.511 6.531 1.00 0.00 C ATOM 895 O GLU A 56 -9.223 3.478 6.549 1.00 0.00 O ATOM 896 CB GLU A 56 -8.817 0.069 7.264 1.00 0.00 C ATOM 897 CG GLU A 56 -7.383 -0.227 7.755 1.00 0.00 C ATOM 898 CD GLU A 56 -7.290 -1.511 8.587 1.00 0.00 C ATOM 899 OE1 GLU A 56 -7.982 -2.485 8.219 1.00 0.00 O ATOM 900 OE2 GLU A 56 -6.516 -1.503 9.572 1.00 0.00 O ATOM 0 H GLU A 56 -7.950 -0.341 5.054 1.00 0.00 H new ATOM 0 HA GLU A 56 -10.023 1.234 5.931 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -9.407 0.404 8.117 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -9.259 -0.866 6.919 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -6.719 -0.309 6.894 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -7.028 0.613 8.352 1.00 0.00 H new ATOM 907 N ASN A 57 -7.163 2.622 6.766 1.00 0.00 N ATOM 908 CA ASN A 57 -6.526 3.816 7.300 1.00 0.00 C ATOM 909 C ASN A 57 -6.459 4.925 6.249 1.00 0.00 C ATOM 910 O ASN A 57 -6.567 6.109 6.564 1.00 0.00 O ATOM 911 CB ASN A 57 -5.118 3.444 7.776 1.00 0.00 C ATOM 912 CG ASN A 57 -4.752 4.095 9.107 1.00 0.00 C ATOM 913 OD1 ASN A 57 -4.268 3.421 10.011 1.00 0.00 O ATOM 914 ND2 ASN A 57 -4.959 5.400 9.249 1.00 0.00 N ATOM 0 H ASN A 57 -6.506 1.863 6.585 1.00 0.00 H new ATOM 0 HA ASN A 57 -7.115 4.196 8.135 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -5.047 2.361 7.875 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -4.393 3.743 7.019 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -4.714 5.863 10.124 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -5.363 5.939 8.483 1.00 0.00 H new ATOM 921 N PHE A 58 -6.228 4.538 4.992 1.00 0.00 N ATOM 922 CA PHE A 58 -6.200 5.458 3.863 1.00 0.00 C ATOM 923 C PHE A 58 -7.565 6.134 3.669 1.00 0.00 C ATOM 924 O PHE A 58 -7.630 7.351 3.450 1.00 0.00 O ATOM 925 CB PHE A 58 -5.748 4.676 2.624 1.00 0.00 C ATOM 926 CG PHE A 58 -5.821 5.428 1.310 1.00 0.00 C ATOM 927 CD1 PHE A 58 -7.039 5.482 0.614 1.00 0.00 C ATOM 928 CD2 PHE A 58 -4.685 6.054 0.766 1.00 0.00 C ATOM 929 CE1 PHE A 58 -7.138 6.208 -0.578 1.00 0.00 C ATOM 930 CE2 PHE A 58 -4.766 6.720 -0.470 1.00 0.00 C ATOM 931 CZ PHE A 58 -5.996 6.797 -1.145 1.00 0.00 C ATOM 0 H PHE A 58 -6.054 3.567 4.732 1.00 0.00 H new ATOM 0 HA PHE A 58 -5.493 6.267 4.047 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -4.720 4.350 2.778 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -6.359 3.777 2.542 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -7.903 4.961 1.000 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -3.747 6.023 1.300 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -8.096 6.316 -1.064 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -3.884 7.172 -0.900 1.00 0.00 H new ATOM 0 HZ PHE A 58 -6.063 7.306 -2.095 1.00 0.00 H new ATOM 941 N GLU A 59 -8.641 5.338 3.729 1.00 0.00 N ATOM 942 CA GLU A 59 -10.014 5.797 3.545 1.00 0.00 C ATOM 943 C GLU A 59 -10.533 6.504 4.800 1.00 0.00 C ATOM 944 O GLU A 59 -11.291 7.461 4.664 1.00 0.00 O ATOM 945 CB GLU A 59 -10.926 4.631 3.133 1.00 0.00 C ATOM 946 CG GLU A 59 -10.767 4.216 1.655 1.00 0.00 C ATOM 947 CD GLU A 59 -11.299 5.244 0.641 1.00 0.00 C ATOM 948 OE1 GLU A 59 -12.539 5.365 0.571 1.00 0.00 O ATOM 949 OE2 GLU A 59 -10.503 5.854 -0.118 1.00 0.00 O ATOM 0 H GLU A 59 -8.574 4.337 3.911 1.00 0.00 H new ATOM 0 HA GLU A 59 -10.024 6.527 2.736 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -10.712 3.771 3.768 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -11.964 4.911 3.314 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -9.711 4.038 1.453 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -11.285 3.270 1.499 1.00 0.00 H new ATOM 956 N ASP A 60 -10.119 6.073 6.002 1.00 0.00 N ATOM 957 CA ASP A 60 -10.376 6.799 7.248 1.00 0.00 C ATOM 958 C ASP A 60 -10.059 8.284 7.051 1.00 0.00 C ATOM 959 O ASP A 60 -10.902 9.153 7.258 1.00 0.00 O ATOM 960 CB ASP A 60 -9.528 6.214 8.387 1.00 0.00 C ATOM 961 CG ASP A 60 -9.554 7.116 9.615 1.00 0.00 C ATOM 962 OD1 ASP A 60 -10.674 7.465 10.043 1.00 0.00 O ATOM 963 OD2 ASP A 60 -8.446 7.480 10.067 1.00 0.00 O ATOM 0 H ASP A 60 -9.595 5.208 6.133 1.00 0.00 H new ATOM 0 HA ASP A 60 -11.427 6.694 7.515 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -9.903 5.225 8.651 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -8.500 6.086 8.049 1.00 0.00 H new ATOM 968 N VAL A 61 -8.843 8.560 6.574 1.00 0.00 N ATOM 969 CA VAL A 61 -8.457 9.905 6.183 1.00 0.00 C ATOM 970 C VAL A 61 -9.287 10.401 4.995 1.00 0.00 C ATOM 971 O VAL A 61 -9.836 11.500 5.053 1.00 0.00 O ATOM 972 CB VAL A 61 -6.938 9.973 5.962 1.00 0.00 C ATOM 973 CG1 VAL A 61 -6.524 11.245 5.207 1.00 0.00 C ATOM 974 CG2 VAL A 61 -6.224 9.945 7.318 1.00 0.00 C ATOM 0 H VAL A 61 -8.110 7.861 6.451 1.00 0.00 H new ATOM 0 HA VAL A 61 -8.682 10.599 6.993 1.00 0.00 H new ATOM 0 HB VAL A 61 -6.653 9.112 5.358 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -5.442 11.252 5.072 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -7.011 11.264 4.232 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -6.824 12.122 5.780 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -5.146 9.993 7.163 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -6.543 10.799 7.915 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -6.474 9.023 7.842 1.00 0.00 H new ATOM 984 N GLY A 62 -9.364 9.631 3.906 1.00 0.00 N ATOM 985 CA GLY A 62 -10.097 10.067 2.725 1.00 0.00 C ATOM 986 C GLY A 62 -9.223 11.026 1.924 1.00 0.00 C ATOM 987 O GLY A 62 -9.464 12.230 1.870 1.00 0.00 O ATOM 0 H GLY A 62 -8.930 8.712 3.822 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -10.371 9.207 2.113 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -11.025 10.559 3.018 1.00 0.00 H new ATOM 991 N HIS A 63 -8.177 10.461 1.323 1.00 0.00 N ATOM 992 CA HIS A 63 -7.141 11.180 0.598 1.00 0.00 C ATOM 993 C HIS A 63 -7.662 12.000 -0.584 1.00 0.00 C ATOM 994 O HIS A 63 -8.718 11.707 -1.149 1.00 0.00 O ATOM 995 CB HIS A 63 -6.155 10.150 0.057 1.00 0.00 C ATOM 996 CG HIS A 63 -5.136 9.705 1.062 1.00 0.00 C ATOM 997 ND1 HIS A 63 -5.340 8.924 2.178 1.00 0.00 N ATOM 998 CD2 HIS A 63 -3.809 10.016 0.994 1.00 0.00 C ATOM 999 CE1 HIS A 63 -4.136 8.769 2.759 1.00 0.00 C ATOM 1000 NE2 HIS A 63 -3.166 9.400 2.064 1.00 0.00 N ATOM 0 H HIS A 63 -8.026 9.452 1.330 1.00 0.00 H new ATOM 0 HA HIS A 63 -6.690 11.884 1.297 1.00 0.00 H new ATOM 0 HB2 HIS A 63 -6.709 9.280 -0.295 1.00 0.00 H new ATOM 0 HB3 HIS A 63 -5.641 10.571 -0.807 1.00 0.00 H new ATOM 0 HD1 HIS A 63 -6.228 8.539 2.500 1.00 0.00 H new ATOM 0 HD2 HIS A 63 -3.340 10.632 0.242 1.00 0.00 H new ATOM 0 HE1 HIS A 63 -3.967 8.210 3.667 1.00 0.00 H new ATOM 1008 N SER A 64 -6.859 12.980 -1.010 1.00 0.00 N ATOM 1009 CA SER A 64 -7.105 13.735 -2.226 1.00 0.00 C ATOM 1010 C SER A 64 -7.067 12.861 -3.481 1.00 0.00 C ATOM 1011 O SER A 64 -6.609 11.715 -3.494 1.00 0.00 O ATOM 1012 CB SER A 64 -6.074 14.857 -2.384 1.00 0.00 C ATOM 1013 OG SER A 64 -4.823 14.321 -2.775 1.00 0.00 O ATOM 0 H SER A 64 -6.017 13.268 -0.512 1.00 0.00 H new ATOM 0 HA SER A 64 -8.108 14.150 -2.126 1.00 0.00 H new ATOM 0 HB2 SER A 64 -6.419 15.575 -3.128 1.00 0.00 H new ATOM 0 HB3 SER A 64 -5.968 15.398 -1.444 1.00 0.00 H new ATOM 0 HG SER A 64 -4.113 14.965 -2.570 1.00 0.00 H new ATOM 1019 N THR A 65 -7.488 13.482 -4.578 1.00 0.00 N ATOM 1020 CA THR A 65 -7.411 12.920 -5.914 1.00 0.00 C ATOM 1021 C THR A 65 -5.958 12.843 -6.403 1.00 0.00 C ATOM 1022 O THR A 65 -5.614 11.917 -7.141 1.00 0.00 O ATOM 1023 CB THR A 65 -8.332 13.735 -6.832 1.00 0.00 C ATOM 1024 OG1 THR A 65 -9.630 13.704 -6.269 1.00 0.00 O ATOM 1025 CG2 THR A 65 -8.386 13.163 -8.249 1.00 0.00 C ATOM 0 H THR A 65 -7.902 14.414 -4.558 1.00 0.00 H new ATOM 0 HA THR A 65 -7.760 11.887 -5.918 1.00 0.00 H new ATOM 0 HB THR A 65 -7.946 14.751 -6.908 1.00 0.00 H new ATOM 0 HG1 THR A 65 -10.244 14.219 -6.833 1.00 0.00 H new ATOM 0 HG21 THR A 65 -9.050 13.772 -8.862 1.00 0.00 H new ATOM 0 HG22 THR A 65 -7.386 13.168 -8.682 1.00 0.00 H new ATOM 0 HG23 THR A 65 -8.761 12.140 -8.214 1.00 0.00 H new ATOM 1033 N ASP A 66 -5.096 13.771 -5.968 1.00 0.00 N ATOM 1034 CA ASP A 66 -3.670 13.742 -6.285 1.00 0.00 C ATOM 1035 C ASP A 66 -3.101 12.391 -5.855 1.00 0.00 C ATOM 1036 O ASP A 66 -2.516 11.654 -6.647 1.00 0.00 O ATOM 1037 CB ASP A 66 -2.935 14.897 -5.576 1.00 0.00 C ATOM 1038 CG ASP A 66 -2.736 16.110 -6.474 1.00 0.00 C ATOM 1039 OD1 ASP A 66 -3.730 16.512 -7.117 1.00 0.00 O ATOM 1040 OD2 ASP A 66 -1.596 16.622 -6.483 1.00 0.00 O ATOM 0 H ASP A 66 -5.372 14.562 -5.386 1.00 0.00 H new ATOM 0 HA ASP A 66 -3.528 13.871 -7.358 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -3.501 15.194 -4.693 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -1.964 14.545 -5.229 1.00 0.00 H new ATOM 1045 N ALA A 67 -3.323 12.034 -4.590 1.00 0.00 N ATOM 1046 CA ALA A 67 -2.877 10.751 -4.073 1.00 0.00 C ATOM 1047 C ALA A 67 -3.422 9.587 -4.908 1.00 0.00 C ATOM 1048 O ALA A 67 -2.699 8.624 -5.170 1.00 0.00 O ATOM 1049 CB ALA A 67 -3.296 10.609 -2.614 1.00 0.00 C ATOM 0 H ALA A 67 -3.809 12.618 -3.909 1.00 0.00 H new ATOM 0 HA ALA A 67 -1.790 10.716 -4.139 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -2.959 9.646 -2.231 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -2.847 11.410 -2.027 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -4.382 10.670 -2.540 1.00 0.00 H new ATOM 1055 N ARG A 68 -4.695 9.652 -5.319 1.00 0.00 N ATOM 1056 CA ARG A 68 -5.296 8.582 -6.106 1.00 0.00 C ATOM 1057 C ARG A 68 -4.527 8.311 -7.403 1.00 0.00 C ATOM 1058 O ARG A 68 -4.285 7.149 -7.723 1.00 0.00 O ATOM 1059 CB ARG A 68 -6.780 8.830 -6.414 1.00 0.00 C ATOM 1060 CG ARG A 68 -7.681 8.763 -5.170 1.00 0.00 C ATOM 1061 CD ARG A 68 -9.025 8.100 -5.523 1.00 0.00 C ATOM 1062 NE ARG A 68 -10.045 8.276 -4.467 1.00 0.00 N ATOM 1063 CZ ARG A 68 -10.236 7.483 -3.391 1.00 0.00 C ATOM 1064 NH1 ARG A 68 -9.413 6.459 -3.170 1.00 0.00 N ATOM 1065 NH2 ARG A 68 -11.247 7.695 -2.541 1.00 0.00 N ATOM 0 H ARG A 68 -5.321 10.432 -5.118 1.00 0.00 H new ATOM 0 HA ARG A 68 -5.232 7.693 -5.478 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -6.888 9.810 -6.879 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -7.121 8.092 -7.141 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -7.184 8.197 -4.382 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -7.853 9.767 -4.782 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -9.399 8.521 -6.456 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -8.866 7.035 -5.694 1.00 0.00 H new ATOM 0 HE ARG A 68 -10.668 9.078 -4.561 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -8.642 6.276 -3.812 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -9.554 5.858 -2.358 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -11.893 8.469 -2.699 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -11.372 7.083 -1.735 1.00 0.00 H new ATOM 1079 N GLU A 69 -4.172 9.336 -8.187 1.00 0.00 N ATOM 1080 CA GLU A 69 -3.431 9.058 -9.416 1.00 0.00 C ATOM 1081 C GLU A 69 -2.011 8.583 -9.082 1.00 0.00 C ATOM 1082 O GLU A 69 -1.507 7.631 -9.684 1.00 0.00 O ATOM 1083 CB GLU A 69 -3.535 10.199 -10.436 1.00 0.00 C ATOM 1084 CG GLU A 69 -2.658 11.412 -10.131 1.00 0.00 C ATOM 1085 CD GLU A 69 -1.289 11.301 -10.793 1.00 0.00 C ATOM 1086 OE1 GLU A 69 -1.266 11.390 -12.039 1.00 0.00 O ATOM 1087 OE2 GLU A 69 -0.305 11.090 -10.055 1.00 0.00 O ATOM 0 H GLU A 69 -4.375 10.319 -8.004 1.00 0.00 H new ATOM 0 HA GLU A 69 -3.899 8.225 -9.941 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -3.268 9.813 -11.420 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -4.574 10.524 -10.492 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -3.157 12.317 -10.477 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -2.534 11.509 -9.052 1.00 0.00 H new ATOM 1094 N LEU A 70 -1.410 9.176 -8.048 1.00 0.00 N ATOM 1095 CA LEU A 70 -0.073 8.818 -7.610 1.00 0.00 C ATOM 1096 C LEU A 70 -0.031 7.343 -7.181 1.00 0.00 C ATOM 1097 O LEU A 70 0.963 6.660 -7.425 1.00 0.00 O ATOM 1098 CB LEU A 70 0.366 9.789 -6.502 1.00 0.00 C ATOM 1099 CG LEU A 70 1.850 10.192 -6.521 1.00 0.00 C ATOM 1100 CD1 LEU A 70 2.777 8.980 -6.519 1.00 0.00 C ATOM 1101 CD2 LEU A 70 2.183 11.112 -7.703 1.00 0.00 C ATOM 0 H LEU A 70 -1.842 9.917 -7.496 1.00 0.00 H new ATOM 0 HA LEU A 70 0.640 8.914 -8.429 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -0.238 10.693 -6.576 1.00 0.00 H new ATOM 0 HB3 LEU A 70 0.144 9.335 -5.536 1.00 0.00 H new ATOM 0 HG LEU A 70 2.021 10.748 -5.599 1.00 0.00 H new ATOM 0 HD11 LEU A 70 3.814 9.315 -6.533 1.00 0.00 H new ATOM 0 HD12 LEU A 70 2.599 8.387 -5.622 1.00 0.00 H new ATOM 0 HD13 LEU A 70 2.581 8.371 -7.401 1.00 0.00 H new ATOM 0 HD21 LEU A 70 3.241 11.371 -7.676 1.00 0.00 H new ATOM 0 HD22 LEU A 70 1.959 10.599 -8.638 1.00 0.00 H new ATOM 0 HD23 LEU A 70 1.585 12.021 -7.636 1.00 0.00 H new ATOM 1113 N SER A 71 -1.112 6.812 -6.589 1.00 0.00 N ATOM 1114 CA SER A 71 -1.193 5.385 -6.285 1.00 0.00 C ATOM 1115 C SER A 71 -0.864 4.570 -7.534 1.00 0.00 C ATOM 1116 O SER A 71 -0.028 3.675 -7.488 1.00 0.00 O ATOM 1117 CB SER A 71 -2.548 4.978 -5.670 1.00 0.00 C ATOM 1118 OG SER A 71 -3.520 4.600 -6.632 1.00 0.00 O ATOM 0 H SER A 71 -1.934 7.350 -6.315 1.00 0.00 H new ATOM 0 HA SER A 71 -0.450 5.166 -5.518 1.00 0.00 H new ATOM 0 HB2 SER A 71 -2.390 4.148 -4.981 1.00 0.00 H new ATOM 0 HB3 SER A 71 -2.935 5.811 -5.083 1.00 0.00 H new ATOM 0 HG SER A 71 -3.853 5.399 -7.092 1.00 0.00 H new ATOM 1124 N LYS A 72 -1.489 4.895 -8.667 1.00 0.00 N ATOM 1125 CA LYS A 72 -1.287 4.182 -9.919 1.00 0.00 C ATOM 1126 C LYS A 72 0.197 4.144 -10.303 1.00 0.00 C ATOM 1127 O LYS A 72 0.717 3.090 -10.657 1.00 0.00 O ATOM 1128 CB LYS A 72 -2.189 4.778 -11.012 1.00 0.00 C ATOM 1129 CG LYS A 72 -3.159 3.721 -11.567 1.00 0.00 C ATOM 1130 CD LYS A 72 -4.439 4.336 -12.148 1.00 0.00 C ATOM 1131 CE LYS A 72 -5.325 4.931 -11.036 1.00 0.00 C ATOM 1132 NZ LYS A 72 -6.752 4.961 -11.415 1.00 0.00 N ATOM 0 H LYS A 72 -2.153 5.666 -8.737 1.00 0.00 H new ATOM 0 HA LYS A 72 -1.583 3.140 -9.796 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -2.754 5.616 -10.604 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -1.574 5.172 -11.821 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -2.655 3.143 -12.342 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -3.424 3.025 -10.772 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -4.179 5.115 -12.865 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -4.997 3.574 -12.693 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -5.205 4.344 -10.125 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -4.990 5.943 -10.809 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -7.309 5.369 -10.637 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -6.872 5.542 -12.269 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -7.081 3.993 -11.606 1.00 0.00 H new ATOM 1146 N THR A 73 0.900 5.266 -10.162 1.00 0.00 N ATOM 1147 CA THR A 73 2.345 5.330 -10.348 1.00 0.00 C ATOM 1148 C THR A 73 3.119 4.325 -9.467 1.00 0.00 C ATOM 1149 O THR A 73 4.226 3.930 -9.828 1.00 0.00 O ATOM 1150 CB THR A 73 2.785 6.794 -10.173 1.00 0.00 C ATOM 1151 OG1 THR A 73 2.526 7.493 -11.372 1.00 0.00 O ATOM 1152 CG2 THR A 73 4.255 6.969 -9.803 1.00 0.00 C ATOM 0 H THR A 73 0.479 6.161 -9.914 1.00 0.00 H new ATOM 0 HA THR A 73 2.599 5.010 -11.359 1.00 0.00 H new ATOM 0 HB THR A 73 2.211 7.191 -9.336 1.00 0.00 H new ATOM 0 HG1 THR A 73 2.801 8.428 -11.271 1.00 0.00 H new ATOM 0 HG21 THR A 73 4.480 8.030 -9.699 1.00 0.00 H new ATOM 0 HG22 THR A 73 4.456 6.462 -8.859 1.00 0.00 H new ATOM 0 HG23 THR A 73 4.881 6.540 -10.586 1.00 0.00 H new ATOM 1160 N TYR A 74 2.554 3.882 -8.339 1.00 0.00 N ATOM 1161 CA TYR A 74 3.166 2.919 -7.426 1.00 0.00 C ATOM 1162 C TYR A 74 2.570 1.518 -7.567 1.00 0.00 C ATOM 1163 O TYR A 74 2.885 0.633 -6.769 1.00 0.00 O ATOM 1164 CB TYR A 74 2.988 3.412 -5.985 1.00 0.00 C ATOM 1165 CG TYR A 74 3.867 4.585 -5.604 1.00 0.00 C ATOM 1166 CD1 TYR A 74 5.261 4.504 -5.786 1.00 0.00 C ATOM 1167 CD2 TYR A 74 3.312 5.725 -4.995 1.00 0.00 C ATOM 1168 CE1 TYR A 74 6.069 5.626 -5.539 1.00 0.00 C ATOM 1169 CE2 TYR A 74 4.149 6.790 -4.619 1.00 0.00 C ATOM 1170 CZ TYR A 74 5.497 6.791 -5.008 1.00 0.00 C ATOM 1171 OH TYR A 74 6.260 7.902 -4.810 1.00 0.00 O ATOM 0 H TYR A 74 1.633 4.194 -8.030 1.00 0.00 H new ATOM 0 HA TYR A 74 4.223 2.846 -7.681 1.00 0.00 H new ATOM 0 HB2 TYR A 74 1.945 3.694 -5.838 1.00 0.00 H new ATOM 0 HB3 TYR A 74 3.193 2.586 -5.305 1.00 0.00 H new ATOM 0 HD1 TYR A 74 5.709 3.578 -6.116 1.00 0.00 H new ATOM 0 HD2 TYR A 74 2.248 5.782 -4.817 1.00 0.00 H new ATOM 0 HE1 TYR A 74 7.126 5.592 -5.757 1.00 0.00 H new ATOM 0 HE2 TYR A 74 3.755 7.606 -4.032 1.00 0.00 H new ATOM 0 HH TYR A 74 6.131 8.228 -3.895 1.00 0.00 H new ATOM 1181 N ILE A 75 1.679 1.307 -8.538 1.00 0.00 N ATOM 1182 CA ILE A 75 0.977 0.042 -8.684 1.00 0.00 C ATOM 1183 C ILE A 75 1.980 -1.050 -9.040 1.00 0.00 C ATOM 1184 O ILE A 75 2.535 -1.061 -10.137 1.00 0.00 O ATOM 1185 CB ILE A 75 -0.207 0.201 -9.658 1.00 0.00 C ATOM 1186 CG1 ILE A 75 -1.367 -0.737 -9.278 1.00 0.00 C ATOM 1187 CG2 ILE A 75 0.140 0.040 -11.146 1.00 0.00 C ATOM 1188 CD1 ILE A 75 -2.680 -0.254 -9.898 1.00 0.00 C ATOM 0 H ILE A 75 1.429 2.006 -9.238 1.00 0.00 H new ATOM 0 HA ILE A 75 0.520 -0.273 -7.746 1.00 0.00 H new ATOM 0 HB ILE A 75 -0.513 1.241 -9.544 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -1.149 -1.749 -9.619 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -1.466 -0.780 -8.193 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -0.761 0.170 -11.746 1.00 0.00 H new ATOM 0 HG22 ILE A 75 0.877 0.791 -11.431 1.00 0.00 H new ATOM 0 HG23 ILE A 75 0.550 -0.955 -11.318 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -3.486 -0.931 -9.617 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -2.906 0.749 -9.536 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -2.584 -0.235 -10.984 1.00 0.00 H new ATOM 1200 N ILE A 76 2.256 -1.951 -8.096 1.00 0.00 N ATOM 1201 CA ILE A 76 3.156 -3.056 -8.367 1.00 0.00 C ATOM 1202 C ILE A 76 2.352 -4.226 -8.911 1.00 0.00 C ATOM 1203 O ILE A 76 2.779 -4.846 -9.879 1.00 0.00 O ATOM 1204 CB ILE A 76 4.026 -3.414 -7.151 1.00 0.00 C ATOM 1205 CG1 ILE A 76 3.213 -3.731 -5.885 1.00 0.00 C ATOM 1206 CG2 ILE A 76 5.007 -2.264 -6.890 1.00 0.00 C ATOM 1207 CD1 ILE A 76 4.067 -4.288 -4.748 1.00 0.00 C ATOM 0 H ILE A 76 1.872 -1.933 -7.151 1.00 0.00 H new ATOM 0 HA ILE A 76 3.875 -2.759 -9.131 1.00 0.00 H new ATOM 0 HB ILE A 76 4.564 -4.331 -7.390 1.00 0.00 H new ATOM 0 HG12 ILE A 76 2.713 -2.824 -5.545 1.00 0.00 H new ATOM 0 HG13 ILE A 76 2.433 -4.451 -6.132 1.00 0.00 H new ATOM 0 HG21 ILE A 76 5.630 -2.506 -6.029 1.00 0.00 H new ATOM 0 HG22 ILE A 76 5.639 -2.119 -7.766 1.00 0.00 H new ATOM 0 HG23 ILE A 76 4.450 -1.349 -6.689 1.00 0.00 H new ATOM 0 HD11 ILE A 76 3.435 -4.491 -3.884 1.00 0.00 H new ATOM 0 HD12 ILE A 76 4.546 -5.212 -5.072 1.00 0.00 H new ATOM 0 HD13 ILE A 76 4.830 -3.559 -4.476 1.00 0.00 H new ATOM 1219 N GLY A 77 1.203 -4.517 -8.302 1.00 0.00 N ATOM 1220 CA GLY A 77 0.450 -5.732 -8.535 1.00 0.00 C ATOM 1221 C GLY A 77 -0.904 -5.604 -7.841 1.00 0.00 C ATOM 1222 O GLY A 77 -1.231 -4.523 -7.347 1.00 0.00 O ATOM 0 H GLY A 77 0.767 -3.896 -7.620 1.00 0.00 H new ATOM 0 HA2 GLY A 77 0.314 -5.894 -9.604 1.00 0.00 H new ATOM 0 HA3 GLY A 77 0.993 -6.594 -8.149 1.00 0.00 H new ATOM 1226 N GLU A 78 -1.690 -6.681 -7.796 1.00 0.00 N ATOM 1227 CA GLU A 78 -3.056 -6.633 -7.286 1.00 0.00 C ATOM 1228 C GLU A 78 -3.277 -7.660 -6.179 1.00 0.00 C ATOM 1229 O GLU A 78 -2.542 -8.642 -6.072 1.00 0.00 O ATOM 1230 CB GLU A 78 -4.069 -6.736 -8.433 1.00 0.00 C ATOM 1231 CG GLU A 78 -3.878 -5.586 -9.438 1.00 0.00 C ATOM 1232 CD GLU A 78 -5.152 -5.283 -10.218 1.00 0.00 C ATOM 1233 OE1 GLU A 78 -5.811 -6.257 -10.637 1.00 0.00 O ATOM 1234 OE2 GLU A 78 -5.460 -4.076 -10.355 1.00 0.00 O ATOM 0 H GLU A 78 -1.397 -7.606 -8.111 1.00 0.00 H new ATOM 0 HA GLU A 78 -3.221 -5.662 -6.819 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -3.952 -7.693 -8.942 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -5.082 -6.710 -8.032 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -3.559 -4.690 -8.905 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -3.080 -5.844 -10.135 1.00 0.00 H new ATOM 1241 N LEU A 79 -4.249 -7.400 -5.302 1.00 0.00 N ATOM 1242 CA LEU A 79 -4.532 -8.297 -4.199 1.00 0.00 C ATOM 1243 C LEU A 79 -5.073 -9.606 -4.776 1.00 0.00 C ATOM 1244 O LEU A 79 -5.877 -9.580 -5.708 1.00 0.00 O ATOM 1245 CB LEU A 79 -5.532 -7.620 -3.252 1.00 0.00 C ATOM 1246 CG LEU A 79 -5.968 -8.518 -2.088 1.00 0.00 C ATOM 1247 CD1 LEU A 79 -4.845 -8.790 -1.083 1.00 0.00 C ATOM 1248 CD2 LEU A 79 -7.142 -7.866 -1.357 1.00 0.00 C ATOM 0 H LEU A 79 -4.848 -6.575 -5.341 1.00 0.00 H new ATOM 0 HA LEU A 79 -3.635 -8.523 -3.622 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -5.084 -6.710 -2.852 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -6.413 -7.319 -3.819 1.00 0.00 H new ATOM 0 HG LEU A 79 -6.255 -9.477 -2.519 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -5.219 -9.431 -0.285 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -4.016 -9.286 -1.589 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -4.499 -7.847 -0.659 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -7.454 -8.503 -0.529 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -6.836 -6.893 -0.972 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -7.975 -7.736 -2.049 1.00 0.00 H new ATOM 1260 N HIS A 80 -4.612 -10.744 -4.251 1.00 0.00 N ATOM 1261 CA HIS A 80 -4.966 -12.053 -4.774 1.00 0.00 C ATOM 1262 C HIS A 80 -6.489 -12.219 -4.964 1.00 0.00 C ATOM 1263 O HIS A 80 -7.267 -11.862 -4.073 1.00 0.00 O ATOM 1264 CB HIS A 80 -4.395 -13.123 -3.843 1.00 0.00 C ATOM 1265 CG HIS A 80 -4.092 -14.426 -4.521 1.00 0.00 C ATOM 1266 ND1 HIS A 80 -4.721 -15.620 -4.283 1.00 0.00 N ATOM 1267 CD2 HIS A 80 -3.072 -14.666 -5.402 1.00 0.00 C ATOM 1268 CE1 HIS A 80 -4.125 -16.555 -5.033 1.00 0.00 C ATOM 1269 NE2 HIS A 80 -3.103 -16.025 -5.730 1.00 0.00 N ATOM 0 H HIS A 80 -3.982 -10.777 -3.450 1.00 0.00 H new ATOM 0 HA HIS A 80 -4.532 -12.163 -5.768 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -3.481 -12.742 -3.386 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -5.104 -13.302 -3.035 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -2.369 -13.936 -5.777 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -4.423 -17.592 -5.073 1.00 0.00 H new ATOM 0 HE2 HIS A 80 -2.477 -16.516 -6.369 1.00 0.00 H new ATOM 1277 N PRO A 81 -6.930 -12.759 -6.114 1.00 0.00 N ATOM 1278 CA PRO A 81 -8.340 -12.824 -6.466 1.00 0.00 C ATOM 1279 C PRO A 81 -9.151 -13.693 -5.492 1.00 0.00 C ATOM 1280 O PRO A 81 -10.352 -13.471 -5.321 1.00 0.00 O ATOM 1281 CB PRO A 81 -8.396 -13.300 -7.921 1.00 0.00 C ATOM 1282 CG PRO A 81 -7.057 -14.004 -8.138 1.00 0.00 C ATOM 1283 CD PRO A 81 -6.108 -13.266 -7.200 1.00 0.00 C ATOM 0 HA PRO A 81 -8.816 -11.847 -6.379 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -9.233 -13.978 -8.086 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -8.522 -12.464 -8.609 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -7.117 -15.065 -7.894 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -6.730 -13.934 -9.176 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -5.334 -13.934 -6.824 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -5.602 -12.452 -7.719 1.00 0.00 H new