USER MOD reduce.3.24.130724 H: found=0, std=0, add=771, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 773 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 33 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 73 HIS : no HD1:sc= -2.5! C(o=-2.5!,f=-3!) USER MOD Set 2.1: A 31 THR OG1 : rot -160:sc= 0.794 USER MOD Set 2.2: A 80 LYS NZ :NH3+ -158:sc= 1.08 (180deg=0) USER MOD Single : A 6 SER OG : rot 45:sc= 0.886 USER MOD Single : A 12 ASN :FLIP amide:sc= -1.09 F(o=-3.3!,f=-1.1) USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot 140:sc= -1.5! USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 29 HIS : no HD1:sc= -0.423 X(o=-0.42,f=0) USER MOD Single : A 35 SER OG : rot 100:sc=-0.00619 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 ASN : amide:sc= 0.0162 X(o=0.016,f=0) USER MOD Single : A 45 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0938) USER MOD Single : A 47 GLN : amide:sc= -0.203 X(o=-0.2,f=-0.2) USER MOD Single : A 49 CYS SG : rot 64:sc= -1.07 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 HIS : no HD1:sc= -0.0325 X(o=-0.032,f=-0.082) USER MOD Single : A 59 LYS NZ :NH3+ -146:sc= -0.331 (180deg=-1.47!) USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 HIS : no HD1:sc= -0.13 X(o=-0.13,f=-0.32) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 ASN :FLIP amide:sc= -0.481 F(o=-2.9,f=-0.48) USER MOD Single : A 76 SER OG : rot -125:sc= 0.509 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 TYR OH : rot 163:sc= 0.183 USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 62 N GLU A 5 3.462 -8.255 -4.345 1.00 0.00 N ATOM 63 CA GLU A 5 2.758 -9.190 -5.199 1.00 0.00 C ATOM 64 C GLU A 5 1.483 -8.567 -5.759 1.00 0.00 C ATOM 65 O GLU A 5 1.435 -8.142 -6.913 1.00 0.00 O ATOM 66 CB GLU A 5 2.429 -10.452 -4.406 1.00 0.00 C ATOM 67 CG GLU A 5 3.567 -11.459 -4.364 1.00 0.00 C ATOM 68 CD GLU A 5 3.354 -12.620 -5.315 1.00 0.00 C ATOM 69 OE1 GLU A 5 2.183 -12.954 -5.592 1.00 0.00 O ATOM 70 OE2 GLU A 5 4.359 -13.195 -5.784 1.00 0.00 O ATOM 0 HA GLU A 5 3.400 -9.448 -6.041 1.00 0.00 H new ATOM 0 HB2 GLU A 5 2.165 -10.172 -3.386 1.00 0.00 H new ATOM 0 HB3 GLU A 5 1.551 -10.927 -4.843 1.00 0.00 H new ATOM 0 HG2 GLU A 5 4.501 -10.956 -4.614 1.00 0.00 H new ATOM 0 HG3 GLU A 5 3.672 -11.841 -3.348 1.00 0.00 H new ATOM 77 N SER A 6 0.460 -8.520 -4.924 1.00 0.00 N ATOM 78 CA SER A 6 -0.831 -7.953 -5.301 1.00 0.00 C ATOM 79 C SER A 6 -1.733 -7.830 -4.077 1.00 0.00 C ATOM 80 O SER A 6 -1.575 -8.572 -3.109 1.00 0.00 O ATOM 81 CB SER A 6 -1.505 -8.824 -6.364 1.00 0.00 C ATOM 82 OG SER A 6 -1.213 -8.354 -7.668 1.00 0.00 O ATOM 0 H SER A 6 0.496 -8.872 -3.967 1.00 0.00 H new ATOM 0 HA SER A 6 -0.664 -6.959 -5.716 1.00 0.00 H new ATOM 0 HB2 SER A 6 -1.167 -9.855 -6.262 1.00 0.00 H new ATOM 0 HB3 SER A 6 -2.584 -8.825 -6.207 1.00 0.00 H new ATOM 0 HG SER A 6 -0.257 -8.149 -7.735 1.00 0.00 H new ATOM 88 N ILE A 7 -2.681 -6.899 -4.117 1.00 0.00 N ATOM 89 CA ILE A 7 -3.594 -6.707 -2.996 1.00 0.00 C ATOM 90 C ILE A 7 -5.046 -6.725 -3.458 1.00 0.00 C ATOM 91 O ILE A 7 -5.413 -6.049 -4.419 1.00 0.00 O ATOM 92 CB ILE A 7 -3.308 -5.386 -2.253 1.00 0.00 C ATOM 93 CG1 ILE A 7 -4.208 -5.264 -1.020 1.00 0.00 C ATOM 94 CG2 ILE A 7 -3.502 -4.198 -3.182 1.00 0.00 C ATOM 95 CD1 ILE A 7 -4.023 -3.969 -0.259 1.00 0.00 C ATOM 0 H ILE A 7 -2.836 -6.271 -4.906 1.00 0.00 H new ATOM 0 HA ILE A 7 -3.429 -7.537 -2.309 1.00 0.00 H new ATOM 0 HB ILE A 7 -2.270 -5.391 -1.922 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -5.249 -5.347 -1.331 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -4.008 -6.101 -0.351 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -3.296 -3.275 -2.640 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -2.820 -4.282 -4.028 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -4.530 -4.184 -3.545 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -4.693 -3.953 0.601 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -2.991 -3.892 0.083 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -4.252 -3.127 -0.912 1.00 0.00 H new ATOM 107 N ARG A 8 -5.868 -7.506 -2.765 1.00 0.00 N ATOM 108 CA ARG A 8 -7.282 -7.619 -3.101 1.00 0.00 C ATOM 109 C ARG A 8 -8.156 -7.269 -1.901 1.00 0.00 C ATOM 110 O ARG A 8 -8.554 -8.146 -1.134 1.00 0.00 O ATOM 111 CB ARG A 8 -7.599 -9.035 -3.584 1.00 0.00 C ATOM 112 CG ARG A 8 -8.526 -9.075 -4.787 1.00 0.00 C ATOM 113 CD ARG A 8 -8.514 -10.439 -5.458 1.00 0.00 C ATOM 114 NE ARG A 8 -8.079 -10.361 -6.850 1.00 0.00 N ATOM 115 CZ ARG A 8 -8.310 -11.311 -7.753 1.00 0.00 C ATOM 116 NH1 ARG A 8 -8.967 -12.413 -7.414 1.00 0.00 N ATOM 117 NH2 ARG A 8 -7.882 -11.159 -8.999 1.00 0.00 N ATOM 0 H ARG A 8 -5.578 -8.071 -1.966 1.00 0.00 H new ATOM 0 HA ARG A 8 -7.499 -6.912 -3.902 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -6.667 -9.540 -3.837 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -8.054 -9.595 -2.767 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -9.541 -8.832 -4.473 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -8.224 -8.313 -5.505 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -7.851 -11.107 -4.908 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -9.513 -10.873 -5.414 1.00 0.00 H new ATOM 0 HE ARG A 8 -7.568 -9.530 -7.148 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -9.298 -12.535 -6.457 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -9.141 -13.138 -8.110 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -7.376 -10.314 -9.265 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -8.059 -11.887 -9.691 1.00 0.00 H new ATOM 131 N PHE A 9 -8.458 -5.984 -1.749 1.00 0.00 N ATOM 132 CA PHE A 9 -9.292 -5.524 -0.645 1.00 0.00 C ATOM 133 C PHE A 9 -10.752 -5.449 -1.077 1.00 0.00 C ATOM 134 O PHE A 9 -11.315 -4.364 -1.223 1.00 0.00 O ATOM 135 CB PHE A 9 -8.817 -4.157 -0.140 1.00 0.00 C ATOM 136 CG PHE A 9 -8.519 -3.171 -1.236 1.00 0.00 C ATOM 137 CD1 PHE A 9 -7.262 -3.116 -1.815 1.00 0.00 C ATOM 138 CD2 PHE A 9 -9.497 -2.295 -1.683 1.00 0.00 C ATOM 139 CE1 PHE A 9 -6.985 -2.209 -2.820 1.00 0.00 C ATOM 140 CE2 PHE A 9 -9.225 -1.386 -2.687 1.00 0.00 C ATOM 141 CZ PHE A 9 -7.968 -1.343 -3.257 1.00 0.00 C ATOM 0 H PHE A 9 -8.139 -5.244 -2.375 1.00 0.00 H new ATOM 0 HA PHE A 9 -9.205 -6.242 0.171 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -9.581 -3.737 0.515 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -7.920 -4.296 0.464 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -6.489 -3.790 -1.477 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -10.482 -2.324 -1.241 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -6.001 -2.177 -3.263 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -9.995 -0.709 -3.026 1.00 0.00 H new ATOM 0 HZ PHE A 9 -7.754 -0.634 -4.043 1.00 0.00 H new ATOM 151 N GLY A 10 -11.357 -6.613 -1.287 1.00 0.00 N ATOM 152 CA GLY A 10 -12.743 -6.662 -1.709 1.00 0.00 C ATOM 153 C GLY A 10 -12.884 -6.599 -3.218 1.00 0.00 C ATOM 154 O GLY A 10 -12.019 -7.091 -3.943 1.00 0.00 O ATOM 0 H GLY A 10 -10.911 -7.523 -1.172 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -13.201 -7.580 -1.341 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -13.288 -5.832 -1.260 1.00 0.00 H new ATOM 158 N PRO A 11 -13.971 -5.996 -3.728 1.00 0.00 N ATOM 159 CA PRO A 11 -14.207 -5.879 -5.171 1.00 0.00 C ATOM 160 C PRO A 11 -13.171 -4.995 -5.864 1.00 0.00 C ATOM 161 O PRO A 11 -13.092 -4.966 -7.092 1.00 0.00 O ATOM 162 CB PRO A 11 -15.600 -5.239 -5.267 1.00 0.00 C ATOM 163 CG PRO A 11 -16.203 -5.394 -3.911 1.00 0.00 C ATOM 164 CD PRO A 11 -15.054 -5.384 -2.946 1.00 0.00 C ATOM 0 HA PRO A 11 -14.135 -6.848 -5.666 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -15.531 -4.188 -5.548 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -16.207 -5.733 -6.026 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -16.899 -4.583 -3.698 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -16.766 -6.324 -3.838 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -14.802 -4.373 -2.627 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -15.277 -5.956 -2.045 1.00 0.00 H new ATOM 172 N ASN A 12 -12.384 -4.268 -5.074 1.00 0.00 N ATOM 173 CA ASN A 12 -11.364 -3.380 -5.621 1.00 0.00 C ATOM 174 C ASN A 12 -9.976 -4.007 -5.541 1.00 0.00 C ATOM 175 O ASN A 12 -9.363 -4.050 -4.474 1.00 0.00 O ATOM 176 CB ASN A 12 -11.372 -2.044 -4.877 1.00 0.00 C ATOM 177 CG ASN A 12 -12.319 -1.039 -5.502 1.00 0.00 C ATOM 178 OD1 ASN A 12 -11.838 0.183 -5.701 1.00 0.00 O flip ATOM 179 ND2 ASN A 12 -13.469 -1.357 -5.803 1.00 0.00 N flip ATOM 0 H ASN A 12 -12.434 -4.277 -4.055 1.00 0.00 H new ATOM 0 HA ASN A 12 -11.600 -3.212 -6.672 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -11.658 -2.211 -3.839 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -10.363 -1.631 -4.867 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -13.797 -2.308 -5.632 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -14.095 -0.670 -6.223 1.00 0.00 H new ATOM 186 N VAL A 13 -9.479 -4.477 -6.680 1.00 0.00 N ATOM 187 CA VAL A 13 -8.155 -5.085 -6.747 1.00 0.00 C ATOM 188 C VAL A 13 -7.119 -4.046 -7.158 1.00 0.00 C ATOM 189 O VAL A 13 -7.422 -3.134 -7.926 1.00 0.00 O ATOM 190 CB VAL A 13 -8.119 -6.257 -7.746 1.00 0.00 C ATOM 191 CG1 VAL A 13 -6.823 -7.041 -7.603 1.00 0.00 C ATOM 192 CG2 VAL A 13 -9.327 -7.164 -7.555 1.00 0.00 C ATOM 0 H VAL A 13 -9.974 -4.448 -7.571 1.00 0.00 H new ATOM 0 HA VAL A 13 -7.922 -5.470 -5.754 1.00 0.00 H new ATOM 0 HB VAL A 13 -8.160 -5.849 -8.756 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -6.816 -7.865 -8.317 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -5.976 -6.383 -7.799 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -6.747 -7.437 -6.590 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -9.282 -7.985 -8.270 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -9.324 -7.565 -6.541 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -10.241 -6.592 -7.716 1.00 0.00 H new ATOM 202 N PHE A 14 -5.900 -4.175 -6.643 1.00 0.00 N ATOM 203 CA PHE A 14 -4.842 -3.225 -6.967 1.00 0.00 C ATOM 204 C PHE A 14 -3.528 -3.940 -7.265 1.00 0.00 C ATOM 205 O PHE A 14 -2.888 -4.486 -6.367 1.00 0.00 O ATOM 206 CB PHE A 14 -4.656 -2.234 -5.815 1.00 0.00 C ATOM 207 CG PHE A 14 -3.518 -1.274 -6.015 1.00 0.00 C ATOM 208 CD1 PHE A 14 -3.542 -0.357 -7.053 1.00 0.00 C ATOM 209 CD2 PHE A 14 -2.425 -1.288 -5.163 1.00 0.00 C ATOM 210 CE1 PHE A 14 -2.497 0.529 -7.237 1.00 0.00 C ATOM 211 CE2 PHE A 14 -1.377 -0.405 -5.342 1.00 0.00 C ATOM 212 CZ PHE A 14 -1.413 0.505 -6.381 1.00 0.00 C ATOM 0 H PHE A 14 -5.622 -4.921 -6.005 1.00 0.00 H new ATOM 0 HA PHE A 14 -5.138 -2.681 -7.864 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -5.578 -1.667 -5.684 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -4.491 -2.791 -4.893 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -4.386 -0.334 -7.726 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -2.392 -1.997 -4.349 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -2.528 1.240 -8.050 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -0.531 -0.426 -4.671 1.00 0.00 H new ATOM 0 HZ PHE A 14 -0.595 1.196 -6.524 1.00 0.00 H new ATOM 222 N TYR A 15 -3.130 -3.922 -8.533 1.00 0.00 N ATOM 223 CA TYR A 15 -1.889 -4.559 -8.953 1.00 0.00 C ATOM 224 C TYR A 15 -0.699 -3.651 -8.665 1.00 0.00 C ATOM 225 O TYR A 15 -0.543 -2.598 -9.281 1.00 0.00 O ATOM 226 CB TYR A 15 -1.942 -4.895 -10.445 1.00 0.00 C ATOM 227 CG TYR A 15 -3.125 -5.753 -10.831 1.00 0.00 C ATOM 228 CD1 TYR A 15 -3.055 -7.139 -10.762 1.00 0.00 C ATOM 229 CD2 TYR A 15 -4.312 -5.177 -11.264 1.00 0.00 C ATOM 230 CE1 TYR A 15 -4.135 -7.927 -11.114 1.00 0.00 C ATOM 231 CE2 TYR A 15 -5.396 -5.958 -11.618 1.00 0.00 C ATOM 232 CZ TYR A 15 -5.303 -7.331 -11.541 1.00 0.00 C ATOM 233 OH TYR A 15 -6.380 -8.111 -11.893 1.00 0.00 O ATOM 0 H TYR A 15 -3.650 -3.473 -9.287 1.00 0.00 H new ATOM 0 HA TYR A 15 -1.769 -5.483 -8.388 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -1.975 -3.968 -11.017 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -1.023 -5.410 -10.726 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -2.142 -7.609 -10.428 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -4.389 -4.102 -11.325 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -4.064 -9.003 -11.055 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -6.312 -5.494 -11.953 1.00 0.00 H new ATOM 0 HH TYR A 15 -7.124 -7.536 -12.170 1.00 0.00 H new ATOM 243 N VAL A 16 0.133 -4.064 -7.717 1.00 0.00 N ATOM 244 CA VAL A 16 1.307 -3.290 -7.333 1.00 0.00 C ATOM 245 C VAL A 16 2.221 -3.011 -8.525 1.00 0.00 C ATOM 246 O VAL A 16 3.032 -2.086 -8.489 1.00 0.00 O ATOM 247 CB VAL A 16 2.117 -4.019 -6.245 1.00 0.00 C ATOM 248 CG1 VAL A 16 1.435 -3.886 -4.892 1.00 0.00 C ATOM 249 CG2 VAL A 16 2.308 -5.484 -6.615 1.00 0.00 C ATOM 0 H VAL A 16 0.016 -4.934 -7.198 1.00 0.00 H new ATOM 0 HA VAL A 16 0.939 -2.341 -6.944 1.00 0.00 H new ATOM 0 HB VAL A 16 3.101 -3.554 -6.176 1.00 0.00 H new ATOM 0 HG11 VAL A 16 2.022 -4.407 -4.136 1.00 0.00 H new ATOM 0 HG12 VAL A 16 1.356 -2.832 -4.627 1.00 0.00 H new ATOM 0 HG13 VAL A 16 0.438 -4.323 -4.943 1.00 0.00 H new ATOM 0 HG21 VAL A 16 2.882 -5.984 -5.835 1.00 0.00 H new ATOM 0 HG22 VAL A 16 1.335 -5.964 -6.713 1.00 0.00 H new ATOM 0 HG23 VAL A 16 2.844 -5.553 -7.562 1.00 0.00 H new ATOM 259 N LEU A 17 2.096 -3.818 -9.574 1.00 0.00 N ATOM 260 CA LEU A 17 2.925 -3.653 -10.764 1.00 0.00 C ATOM 261 C LEU A 17 2.252 -2.753 -11.799 1.00 0.00 C ATOM 262 O LEU A 17 2.926 -2.133 -12.622 1.00 0.00 O ATOM 263 CB LEU A 17 3.233 -5.017 -11.386 1.00 0.00 C ATOM 264 CG LEU A 17 4.344 -5.808 -10.694 1.00 0.00 C ATOM 265 CD1 LEU A 17 5.612 -4.974 -10.598 1.00 0.00 C ATOM 266 CD2 LEU A 17 3.894 -6.258 -9.312 1.00 0.00 C ATOM 0 H LEU A 17 1.431 -4.590 -9.625 1.00 0.00 H new ATOM 0 HA LEU A 17 3.854 -3.175 -10.455 1.00 0.00 H new ATOM 0 HB2 LEU A 17 2.323 -5.616 -11.379 1.00 0.00 H new ATOM 0 HB3 LEU A 17 3.509 -4.869 -12.430 1.00 0.00 H new ATOM 0 HG LEU A 17 4.561 -6.694 -11.291 1.00 0.00 H new ATOM 0 HD11 LEU A 17 6.392 -5.553 -10.103 1.00 0.00 H new ATOM 0 HD12 LEU A 17 5.944 -4.700 -11.599 1.00 0.00 H new ATOM 0 HD13 LEU A 17 5.410 -4.070 -10.023 1.00 0.00 H new ATOM 0 HD21 LEU A 17 4.696 -6.820 -8.833 1.00 0.00 H new ATOM 0 HD22 LEU A 17 3.650 -5.385 -8.706 1.00 0.00 H new ATOM 0 HD23 LEU A 17 3.012 -6.892 -9.405 1.00 0.00 H new ATOM 278 N LYS A 18 0.925 -2.687 -11.761 1.00 0.00 N ATOM 279 CA LYS A 18 0.177 -1.864 -12.707 1.00 0.00 C ATOM 280 C LYS A 18 -0.221 -0.526 -12.090 1.00 0.00 C ATOM 281 O LYS A 18 -0.406 0.462 -12.800 1.00 0.00 O ATOM 282 CB LYS A 18 -1.071 -2.608 -13.186 1.00 0.00 C ATOM 283 CG LYS A 18 -0.810 -4.060 -13.554 1.00 0.00 C ATOM 284 CD LYS A 18 -1.874 -4.594 -14.499 1.00 0.00 C ATOM 285 CE LYS A 18 -1.305 -5.642 -15.442 1.00 0.00 C ATOM 286 NZ LYS A 18 -0.952 -5.064 -16.768 1.00 0.00 N ATOM 0 H LYS A 18 0.347 -3.191 -11.089 1.00 0.00 H new ATOM 0 HA LYS A 18 0.827 -1.664 -13.559 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -1.829 -2.571 -12.403 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -1.482 -2.090 -14.053 1.00 0.00 H new ATOM 0 HG2 LYS A 18 0.171 -4.147 -14.022 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -0.787 -4.667 -12.649 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -2.691 -5.027 -13.922 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -2.294 -3.772 -15.078 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -0.418 -6.090 -14.994 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -2.033 -6.442 -15.577 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -0.568 -5.811 -17.381 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -1.803 -4.659 -17.208 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -0.238 -4.318 -16.643 1.00 0.00 H new ATOM 300 N LEU A 19 -0.358 -0.500 -10.769 1.00 0.00 N ATOM 301 CA LEU A 19 -0.741 0.719 -10.066 1.00 0.00 C ATOM 302 C LEU A 19 -2.128 1.180 -10.503 1.00 0.00 C ATOM 303 O LEU A 19 -2.395 2.377 -10.602 1.00 0.00 O ATOM 304 CB LEU A 19 0.287 1.827 -10.320 1.00 0.00 C ATOM 305 CG LEU A 19 0.928 2.414 -9.059 1.00 0.00 C ATOM 306 CD1 LEU A 19 2.324 1.845 -8.855 1.00 0.00 C ATOM 307 CD2 LEU A 19 0.977 3.933 -9.142 1.00 0.00 C ATOM 0 H LEU A 19 -0.210 -1.308 -10.164 1.00 0.00 H new ATOM 0 HA LEU A 19 -0.769 0.503 -8.998 1.00 0.00 H new ATOM 0 HB2 LEU A 19 1.075 1.431 -10.960 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -0.197 2.632 -10.872 1.00 0.00 H new ATOM 0 HG LEU A 19 0.315 2.136 -8.201 1.00 0.00 H new ATOM 0 HD11 LEU A 19 2.764 2.274 -7.954 1.00 0.00 H new ATOM 0 HD12 LEU A 19 2.264 0.762 -8.749 1.00 0.00 H new ATOM 0 HD13 LEU A 19 2.947 2.091 -9.715 1.00 0.00 H new ATOM 0 HD21 LEU A 19 1.436 4.332 -8.237 1.00 0.00 H new ATOM 0 HD22 LEU A 19 1.566 4.231 -10.009 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -0.035 4.325 -9.239 1.00 0.00 H new ATOM 319 N THR A 20 -3.008 0.218 -10.766 1.00 0.00 N ATOM 320 CA THR A 20 -4.368 0.522 -11.196 1.00 0.00 C ATOM 321 C THR A 20 -5.389 -0.240 -10.356 1.00 0.00 C ATOM 322 O THR A 20 -5.472 -1.466 -10.425 1.00 0.00 O ATOM 323 CB THR A 20 -4.545 0.172 -12.674 1.00 0.00 C ATOM 324 OG1 THR A 20 -3.604 0.870 -13.471 1.00 0.00 O ATOM 325 CG2 THR A 20 -5.925 0.494 -13.205 1.00 0.00 C ATOM 0 H THR A 20 -2.803 -0.778 -10.689 1.00 0.00 H new ATOM 0 HA THR A 20 -4.536 1.590 -11.058 1.00 0.00 H new ATOM 0 HB THR A 20 -4.393 -0.906 -12.735 1.00 0.00 H new ATOM 0 HG1 THR A 20 -3.732 0.631 -14.413 1.00 0.00 H new ATOM 0 HG21 THR A 20 -5.982 0.221 -14.259 1.00 0.00 H new ATOM 0 HG22 THR A 20 -6.671 -0.068 -12.643 1.00 0.00 H new ATOM 0 HG23 THR A 20 -6.117 1.561 -13.096 1.00 0.00 H new ATOM 333 N VAL A 21 -6.167 0.494 -9.566 1.00 0.00 N ATOM 334 CA VAL A 21 -7.183 -0.116 -8.718 1.00 0.00 C ATOM 335 C VAL A 21 -8.486 -0.319 -9.483 1.00 0.00 C ATOM 336 O VAL A 21 -9.164 0.644 -9.842 1.00 0.00 O ATOM 337 CB VAL A 21 -7.465 0.738 -7.466 1.00 0.00 C ATOM 338 CG1 VAL A 21 -8.381 -0.005 -6.506 1.00 0.00 C ATOM 339 CG2 VAL A 21 -6.166 1.122 -6.778 1.00 0.00 C ATOM 0 H VAL A 21 -6.113 1.510 -9.496 1.00 0.00 H new ATOM 0 HA VAL A 21 -6.791 -1.084 -8.405 1.00 0.00 H new ATOM 0 HB VAL A 21 -7.969 1.652 -7.781 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -8.568 0.614 -5.629 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -9.326 -0.226 -7.002 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -7.906 -0.937 -6.198 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -6.385 1.725 -5.897 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -5.633 0.220 -6.477 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -5.546 1.697 -7.466 1.00 0.00 H new ATOM 349 N GLU A 22 -8.831 -1.578 -9.732 1.00 0.00 N ATOM 350 CA GLU A 22 -10.053 -1.907 -10.456 1.00 0.00 C ATOM 351 C GLU A 22 -11.284 -1.597 -9.610 1.00 0.00 C ATOM 352 O GLU A 22 -11.294 -1.830 -8.402 1.00 0.00 O ATOM 353 CB GLU A 22 -10.053 -3.384 -10.856 1.00 0.00 C ATOM 354 CG GLU A 22 -10.908 -3.683 -12.076 1.00 0.00 C ATOM 355 CD GLU A 22 -11.720 -4.954 -11.921 1.00 0.00 C ATOM 356 OE1 GLU A 22 -11.159 -6.048 -12.138 1.00 0.00 O ATOM 357 OE2 GLU A 22 -12.918 -4.855 -11.582 1.00 0.00 O ATOM 0 H GLU A 22 -8.281 -2.387 -9.443 1.00 0.00 H new ATOM 0 HA GLU A 22 -10.089 -1.295 -11.357 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -9.028 -3.698 -11.055 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -10.412 -3.979 -10.016 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -11.582 -2.846 -12.257 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -10.266 -3.771 -12.952 1.00 0.00 H new ATOM 364 N THR A 23 -12.321 -1.072 -10.254 1.00 0.00 N ATOM 365 CA THR A 23 -13.557 -0.730 -9.563 1.00 0.00 C ATOM 366 C THR A 23 -14.765 -1.318 -10.289 1.00 0.00 C ATOM 367 O THR A 23 -14.736 -1.512 -11.504 1.00 0.00 O ATOM 368 CB THR A 23 -13.702 0.791 -9.450 1.00 0.00 C ATOM 369 OG1 THR A 23 -12.506 1.442 -9.840 1.00 0.00 O ATOM 370 CG2 THR A 23 -14.040 1.257 -8.050 1.00 0.00 C ATOM 0 H THR A 23 -12.329 -0.874 -11.255 1.00 0.00 H new ATOM 0 HA THR A 23 -13.514 -1.157 -8.561 1.00 0.00 H new ATOM 0 HB THR A 23 -14.527 1.051 -10.114 1.00 0.00 H new ATOM 0 HG1 THR A 23 -12.724 2.242 -10.362 1.00 0.00 H new ATOM 0 HG21 THR A 23 -14.128 2.343 -8.040 1.00 0.00 H new ATOM 0 HG22 THR A 23 -14.985 0.813 -7.737 1.00 0.00 H new ATOM 0 HG23 THR A 23 -13.250 0.951 -7.364 1.00 0.00 H new ATOM 378 N PRO A 24 -15.849 -1.609 -9.549 1.00 0.00 N ATOM 379 CA PRO A 24 -17.072 -2.177 -10.120 1.00 0.00 C ATOM 380 C PRO A 24 -17.503 -1.468 -11.401 1.00 0.00 C ATOM 381 O PRO A 24 -18.012 -2.096 -12.329 1.00 0.00 O ATOM 382 CB PRO A 24 -18.100 -1.954 -9.014 1.00 0.00 C ATOM 383 CG PRO A 24 -17.312 -1.982 -7.754 1.00 0.00 C ATOM 384 CD PRO A 24 -15.965 -1.408 -8.092 1.00 0.00 C ATOM 0 HA PRO A 24 -16.946 -3.221 -10.408 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -18.614 -1.001 -9.138 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -18.864 -2.732 -9.021 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -17.801 -1.396 -6.975 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -17.218 -3.000 -7.376 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -15.903 -0.352 -7.828 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -15.167 -1.919 -7.553 1.00 0.00 H new ATOM 392 N GLU A 25 -17.295 -0.156 -11.443 1.00 0.00 N ATOM 393 CA GLU A 25 -17.662 0.638 -12.610 1.00 0.00 C ATOM 394 C GLU A 25 -16.507 0.714 -13.603 1.00 0.00 C ATOM 395 O GLU A 25 -16.665 0.392 -14.781 1.00 0.00 O ATOM 396 CB GLU A 25 -18.076 2.048 -12.183 1.00 0.00 C ATOM 397 CG GLU A 25 -19.012 2.731 -13.167 1.00 0.00 C ATOM 398 CD GLU A 25 -19.622 4.001 -12.606 1.00 0.00 C ATOM 399 OE1 GLU A 25 -18.946 4.680 -11.804 1.00 0.00 O ATOM 400 OE2 GLU A 25 -20.775 4.315 -12.967 1.00 0.00 O ATOM 0 H GLU A 25 -16.875 0.379 -10.683 1.00 0.00 H new ATOM 0 HA GLU A 25 -18.505 0.151 -13.099 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -18.562 1.996 -11.209 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -17.182 2.659 -12.061 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -18.464 2.968 -14.079 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -19.809 2.041 -13.444 1.00 0.00 H new ATOM 407 N GLY A 26 -15.345 1.142 -13.120 1.00 0.00 N ATOM 408 CA GLY A 26 -14.180 1.253 -13.979 1.00 0.00 C ATOM 409 C GLY A 26 -12.883 1.015 -13.231 1.00 0.00 C ATOM 410 O GLY A 26 -12.703 -0.028 -12.602 1.00 0.00 O ATOM 0 H GLY A 26 -15.189 1.414 -12.149 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -14.263 0.534 -14.794 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -14.159 2.245 -14.431 1.00 0.00 H new ATOM 414 N SER A 27 -11.976 1.984 -13.301 1.00 0.00 N ATOM 415 CA SER A 27 -10.688 1.875 -12.625 1.00 0.00 C ATOM 416 C SER A 27 -10.338 3.175 -11.907 1.00 0.00 C ATOM 417 O SER A 27 -10.919 4.224 -12.184 1.00 0.00 O ATOM 418 CB SER A 27 -9.590 1.522 -13.630 1.00 0.00 C ATOM 419 OG SER A 27 -9.911 1.996 -14.926 1.00 0.00 O ATOM 0 H SER A 27 -12.109 2.853 -13.819 1.00 0.00 H new ATOM 0 HA SER A 27 -10.761 1.080 -11.883 1.00 0.00 H new ATOM 0 HB2 SER A 27 -8.644 1.955 -13.306 1.00 0.00 H new ATOM 0 HB3 SER A 27 -9.453 0.441 -13.659 1.00 0.00 H new ATOM 0 HG SER A 27 -9.192 1.759 -15.548 1.00 0.00 H new ATOM 425 N VAL A 28 -9.386 3.098 -10.983 1.00 0.00 N ATOM 426 CA VAL A 28 -8.960 4.269 -10.226 1.00 0.00 C ATOM 427 C VAL A 28 -7.446 4.440 -10.285 1.00 0.00 C ATOM 428 O VAL A 28 -6.703 3.715 -9.625 1.00 0.00 O ATOM 429 CB VAL A 28 -9.398 4.175 -8.751 1.00 0.00 C ATOM 430 CG1 VAL A 28 -9.084 5.469 -8.016 1.00 0.00 C ATOM 431 CG2 VAL A 28 -10.880 3.844 -8.651 1.00 0.00 C ATOM 0 H VAL A 28 -8.895 2.237 -10.741 1.00 0.00 H new ATOM 0 HA VAL A 28 -9.439 5.134 -10.685 1.00 0.00 H new ATOM 0 HB VAL A 28 -8.837 3.369 -8.278 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -9.401 5.383 -6.977 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -8.011 5.658 -8.054 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -9.615 6.295 -8.490 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -11.169 3.782 -7.602 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -11.461 4.625 -9.142 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -11.073 2.888 -9.137 1.00 0.00 H new ATOM 441 N HIS A 29 -6.995 5.406 -11.080 1.00 0.00 N ATOM 442 CA HIS A 29 -5.569 5.673 -11.224 1.00 0.00 C ATOM 443 C HIS A 29 -5.039 6.447 -10.021 1.00 0.00 C ATOM 444 O HIS A 29 -5.660 7.408 -9.567 1.00 0.00 O ATOM 445 CB HIS A 29 -5.301 6.458 -12.509 1.00 0.00 C ATOM 446 CG HIS A 29 -3.939 6.221 -13.081 1.00 0.00 C ATOM 447 ND1 HIS A 29 -3.708 6.057 -14.431 1.00 0.00 N ATOM 448 CD2 HIS A 29 -2.730 6.121 -12.480 1.00 0.00 C ATOM 449 CE1 HIS A 29 -2.416 5.866 -14.634 1.00 0.00 C ATOM 450 NE2 HIS A 29 -1.801 5.901 -13.467 1.00 0.00 N ATOM 0 H HIS A 29 -7.597 6.016 -11.634 1.00 0.00 H new ATOM 0 HA HIS A 29 -5.049 4.717 -11.278 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -6.051 6.188 -13.253 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -5.421 7.522 -12.307 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -2.533 6.200 -11.421 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -1.944 5.708 -15.592 1.00 0.00 H new ATOM 0 HE2 HIS A 29 -0.798 5.784 -13.322 1.00 0.00 H new ATOM 459 N LEU A 30 -3.890 6.022 -9.508 1.00 0.00 N ATOM 460 CA LEU A 30 -3.280 6.676 -8.357 1.00 0.00 C ATOM 461 C LEU A 30 -1.789 6.901 -8.584 1.00 0.00 C ATOM 462 O LEU A 30 -1.211 6.382 -9.539 1.00 0.00 O ATOM 463 CB LEU A 30 -3.492 5.836 -7.095 1.00 0.00 C ATOM 464 CG LEU A 30 -3.139 4.353 -7.236 1.00 0.00 C ATOM 465 CD1 LEU A 30 -1.642 4.176 -7.431 1.00 0.00 C ATOM 466 CD2 LEU A 30 -3.614 3.576 -6.017 1.00 0.00 C ATOM 0 H LEU A 30 -3.363 5.228 -9.871 1.00 0.00 H new ATOM 0 HA LEU A 30 -3.760 7.646 -8.227 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -2.893 6.261 -6.289 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -4.536 5.918 -6.794 1.00 0.00 H new ATOM 0 HG LEU A 30 -3.648 3.960 -8.116 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -1.411 3.115 -7.529 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -1.328 4.701 -8.333 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -1.112 4.585 -6.571 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -3.355 2.523 -6.133 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -3.132 3.972 -5.123 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -4.695 3.675 -5.921 1.00 0.00 H new ATOM 478 N THR A 31 -1.171 7.670 -7.695 1.00 0.00 N ATOM 479 CA THR A 31 0.255 7.956 -7.793 1.00 0.00 C ATOM 480 C THR A 31 1.068 6.857 -7.113 1.00 0.00 C ATOM 481 O THR A 31 0.696 6.376 -6.042 1.00 0.00 O ATOM 482 CB THR A 31 0.570 9.311 -7.158 1.00 0.00 C ATOM 483 OG1 THR A 31 -0.520 10.203 -7.313 1.00 0.00 O ATOM 484 CG2 THR A 31 1.795 9.977 -7.745 1.00 0.00 C ATOM 0 H THR A 31 -1.635 8.106 -6.898 1.00 0.00 H new ATOM 0 HA THR A 31 0.528 7.990 -8.848 1.00 0.00 H new ATOM 0 HB THR A 31 0.761 9.099 -6.106 1.00 0.00 H new ATOM 0 HG1 THR A 31 -0.207 11.125 -7.200 1.00 0.00 H new ATOM 0 HG21 THR A 31 1.962 10.934 -7.250 1.00 0.00 H new ATOM 0 HG22 THR A 31 2.664 9.336 -7.597 1.00 0.00 H new ATOM 0 HG23 THR A 31 1.643 10.142 -8.812 1.00 0.00 H new ATOM 492 N PRO A 32 2.190 6.439 -7.724 1.00 0.00 N ATOM 493 CA PRO A 32 3.043 5.387 -7.163 1.00 0.00 C ATOM 494 C PRO A 32 3.726 5.816 -5.873 1.00 0.00 C ATOM 495 O PRO A 32 4.146 4.979 -5.074 1.00 0.00 O ATOM 496 CB PRO A 32 4.078 5.135 -8.262 1.00 0.00 C ATOM 497 CG PRO A 32 4.109 6.396 -9.054 1.00 0.00 C ATOM 498 CD PRO A 32 2.712 6.950 -9.005 1.00 0.00 C ATOM 0 HA PRO A 32 2.467 4.501 -6.895 1.00 0.00 H new ATOM 0 HB2 PRO A 32 5.057 4.910 -7.839 1.00 0.00 H new ATOM 0 HB3 PRO A 32 3.796 4.285 -8.883 1.00 0.00 H new ATOM 0 HG2 PRO A 32 4.824 7.103 -8.634 1.00 0.00 H new ATOM 0 HG3 PRO A 32 4.417 6.204 -10.082 1.00 0.00 H new ATOM 0 HD2 PRO A 32 2.710 8.040 -9.034 1.00 0.00 H new ATOM 0 HD3 PRO A 32 2.113 6.607 -9.849 1.00 0.00 H new ATOM 506 N SER A 33 3.827 7.121 -5.670 1.00 0.00 N ATOM 507 CA SER A 33 4.452 7.655 -4.468 1.00 0.00 C ATOM 508 C SER A 33 3.504 7.550 -3.289 1.00 0.00 C ATOM 509 O SER A 33 3.920 7.258 -2.170 1.00 0.00 O ATOM 510 CB SER A 33 4.875 9.110 -4.679 1.00 0.00 C ATOM 511 OG SER A 33 3.757 9.930 -4.968 1.00 0.00 O ATOM 0 H SER A 33 3.485 7.829 -6.320 1.00 0.00 H new ATOM 0 HA SER A 33 5.343 7.065 -4.255 1.00 0.00 H new ATOM 0 HB2 SER A 33 5.379 9.479 -3.785 1.00 0.00 H new ATOM 0 HB3 SER A 33 5.593 9.168 -5.497 1.00 0.00 H new ATOM 0 HG SER A 33 4.054 10.855 -5.097 1.00 0.00 H new ATOM 517 N GLU A 34 2.228 7.766 -3.556 1.00 0.00 N ATOM 518 CA GLU A 34 1.211 7.674 -2.520 1.00 0.00 C ATOM 519 C GLU A 34 0.825 6.226 -2.316 1.00 0.00 C ATOM 520 O GLU A 34 0.654 5.764 -1.188 1.00 0.00 O ATOM 521 CB GLU A 34 -0.016 8.513 -2.882 1.00 0.00 C ATOM 522 CG GLU A 34 0.230 10.011 -2.813 1.00 0.00 C ATOM 523 CD GLU A 34 -0.981 10.779 -2.323 1.00 0.00 C ATOM 524 OE1 GLU A 34 -1.738 10.228 -1.497 1.00 0.00 O ATOM 525 OE2 GLU A 34 -1.172 11.931 -2.765 1.00 0.00 O ATOM 0 H GLU A 34 1.870 8.006 -4.480 1.00 0.00 H new ATOM 0 HA GLU A 34 1.620 8.069 -1.590 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -0.340 8.252 -3.890 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -0.833 8.256 -2.208 1.00 0.00 H new ATOM 0 HG2 GLU A 34 1.072 10.207 -2.150 1.00 0.00 H new ATOM 0 HG3 GLU A 34 0.511 10.375 -3.801 1.00 0.00 H new ATOM 532 N SER A 35 0.734 5.503 -3.414 1.00 0.00 N ATOM 533 CA SER A 35 0.418 4.092 -3.353 1.00 0.00 C ATOM 534 C SER A 35 1.667 3.319 -2.942 1.00 0.00 C ATOM 535 O SER A 35 1.603 2.131 -2.629 1.00 0.00 O ATOM 536 CB SER A 35 -0.119 3.599 -4.698 1.00 0.00 C ATOM 537 OG SER A 35 0.913 3.045 -5.497 1.00 0.00 O ATOM 0 H SER A 35 0.874 5.868 -4.356 1.00 0.00 H new ATOM 0 HA SER A 35 -0.363 3.926 -2.611 1.00 0.00 H new ATOM 0 HB2 SER A 35 -0.893 2.850 -4.530 1.00 0.00 H new ATOM 0 HB3 SER A 35 -0.588 4.427 -5.230 1.00 0.00 H new ATOM 0 HG SER A 35 0.887 2.067 -5.433 1.00 0.00 H new ATOM 543 N GLY A 36 2.807 4.018 -2.927 1.00 0.00 N ATOM 544 CA GLY A 36 4.049 3.398 -2.531 1.00 0.00 C ATOM 545 C GLY A 36 4.144 3.251 -1.032 1.00 0.00 C ATOM 546 O GLY A 36 4.746 2.301 -0.530 1.00 0.00 O ATOM 0 H GLY A 36 2.883 5.002 -3.184 1.00 0.00 H new ATOM 0 HA2 GLY A 36 4.132 2.417 -2.999 1.00 0.00 H new ATOM 0 HA3 GLY A 36 4.886 3.996 -2.892 1.00 0.00 H new ATOM 550 N ILE A 37 3.534 4.185 -0.310 1.00 0.00 N ATOM 551 CA ILE A 37 3.546 4.133 1.148 1.00 0.00 C ATOM 552 C ILE A 37 2.717 2.960 1.636 1.00 0.00 C ATOM 553 O ILE A 37 3.156 2.178 2.479 1.00 0.00 O ATOM 554 CB ILE A 37 3.014 5.435 1.783 1.00 0.00 C ATOM 555 CG1 ILE A 37 3.812 6.640 1.282 1.00 0.00 C ATOM 556 CG2 ILE A 37 3.071 5.349 3.302 1.00 0.00 C ATOM 557 CD1 ILE A 37 3.034 7.520 0.336 1.00 0.00 C ATOM 0 H ILE A 37 3.030 4.979 -0.705 1.00 0.00 H new ATOM 0 HA ILE A 37 4.585 4.010 1.455 1.00 0.00 H new ATOM 0 HB ILE A 37 1.973 5.564 1.485 1.00 0.00 H new ATOM 0 HG12 ILE A 37 4.135 7.234 2.137 1.00 0.00 H new ATOM 0 HG13 ILE A 37 4.713 6.287 0.781 1.00 0.00 H new ATOM 0 HG21 ILE A 37 2.692 6.276 3.733 1.00 0.00 H new ATOM 0 HG22 ILE A 37 2.459 4.514 3.642 1.00 0.00 H new ATOM 0 HG23 ILE A 37 4.103 5.196 3.619 1.00 0.00 H new ATOM 0 HD11 ILE A 37 3.659 8.355 0.019 1.00 0.00 H new ATOM 0 HD12 ILE A 37 2.734 6.940 -0.537 1.00 0.00 H new ATOM 0 HD13 ILE A 37 2.147 7.902 0.841 1.00 0.00 H new ATOM 569 N LEU A 38 1.527 2.832 1.079 1.00 0.00 N ATOM 570 CA LEU A 38 0.638 1.736 1.432 1.00 0.00 C ATOM 571 C LEU A 38 1.194 0.425 0.888 1.00 0.00 C ATOM 572 O LEU A 38 0.828 -0.658 1.346 1.00 0.00 O ATOM 573 CB LEU A 38 -0.769 1.984 0.881 1.00 0.00 C ATOM 574 CG LEU A 38 -0.909 1.840 -0.637 1.00 0.00 C ATOM 575 CD1 LEU A 38 -1.210 0.397 -1.013 1.00 0.00 C ATOM 576 CD2 LEU A 38 -1.996 2.764 -1.160 1.00 0.00 C ATOM 0 H LEU A 38 1.152 3.473 0.380 1.00 0.00 H new ATOM 0 HA LEU A 38 0.573 1.673 2.518 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -1.458 1.289 1.361 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -1.081 2.989 1.165 1.00 0.00 H new ATOM 0 HG LEU A 38 0.037 2.124 -1.098 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -1.306 0.316 -2.096 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -0.398 -0.245 -0.671 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -2.142 0.085 -0.542 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -2.082 2.649 -2.240 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -2.946 2.510 -0.691 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -1.740 3.797 -0.924 1.00 0.00 H new ATOM 588 N LYS A 39 2.089 0.538 -0.091 1.00 0.00 N ATOM 589 CA LYS A 39 2.710 -0.626 -0.700 1.00 0.00 C ATOM 590 C LYS A 39 3.758 -1.220 0.226 1.00 0.00 C ATOM 591 O LYS A 39 3.889 -2.438 0.332 1.00 0.00 O ATOM 592 CB LYS A 39 3.343 -0.247 -2.042 1.00 0.00 C ATOM 593 CG LYS A 39 4.058 -1.397 -2.732 1.00 0.00 C ATOM 594 CD LYS A 39 5.189 -0.897 -3.616 1.00 0.00 C ATOM 595 CE LYS A 39 4.712 -0.633 -5.035 1.00 0.00 C ATOM 596 NZ LYS A 39 5.665 0.225 -5.792 1.00 0.00 N ATOM 0 H LYS A 39 2.398 1.430 -0.478 1.00 0.00 H new ATOM 0 HA LYS A 39 1.939 -1.376 -0.874 1.00 0.00 H new ATOM 0 HB2 LYS A 39 2.566 0.135 -2.704 1.00 0.00 H new ATOM 0 HB3 LYS A 39 4.052 0.565 -1.882 1.00 0.00 H new ATOM 0 HG2 LYS A 39 4.455 -2.082 -1.983 1.00 0.00 H new ATOM 0 HG3 LYS A 39 3.346 -1.961 -3.334 1.00 0.00 H new ATOM 0 HD2 LYS A 39 5.604 0.018 -3.194 1.00 0.00 H new ATOM 0 HD3 LYS A 39 5.992 -1.634 -3.632 1.00 0.00 H new ATOM 0 HE2 LYS A 39 4.584 -1.581 -5.557 1.00 0.00 H new ATOM 0 HE3 LYS A 39 3.735 -0.151 -5.005 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 5.303 0.381 -6.754 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 5.768 1.140 -5.308 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 6.591 -0.246 -5.843 1.00 0.00 H new ATOM 610 N ARG A 40 4.498 -0.352 0.899 1.00 0.00 N ATOM 611 CA ARG A 40 5.535 -0.799 1.822 1.00 0.00 C ATOM 612 C ARG A 40 4.919 -1.494 3.023 1.00 0.00 C ATOM 613 O ARG A 40 5.463 -2.471 3.539 1.00 0.00 O ATOM 614 CB ARG A 40 6.403 0.378 2.272 1.00 0.00 C ATOM 615 CG ARG A 40 7.077 1.111 1.124 1.00 0.00 C ATOM 616 CD ARG A 40 8.518 0.661 0.944 1.00 0.00 C ATOM 617 NE ARG A 40 8.617 -0.777 0.707 1.00 0.00 N ATOM 618 CZ ARG A 40 8.380 -1.353 -0.470 1.00 0.00 C ATOM 619 NH1 ARG A 40 8.034 -0.617 -1.519 1.00 0.00 N ATOM 620 NH2 ARG A 40 8.489 -2.668 -0.597 1.00 0.00 N ATOM 0 H ARG A 40 4.402 0.661 0.826 1.00 0.00 H new ATOM 0 HA ARG A 40 6.170 -1.514 1.299 1.00 0.00 H new ATOM 0 HB2 ARG A 40 5.785 1.082 2.829 1.00 0.00 H new ATOM 0 HB3 ARG A 40 7.168 0.013 2.958 1.00 0.00 H new ATOM 0 HG2 ARG A 40 6.522 0.934 0.203 1.00 0.00 H new ATOM 0 HG3 ARG A 40 7.051 2.184 1.311 1.00 0.00 H new ATOM 0 HD2 ARG A 40 8.963 1.198 0.107 1.00 0.00 H new ATOM 0 HD3 ARG A 40 9.093 0.922 1.832 1.00 0.00 H new ATOM 0 HE ARG A 40 8.883 -1.375 1.489 1.00 0.00 H new ATOM 0 HH11 ARG A 40 7.948 0.395 -1.426 1.00 0.00 H new ATOM 0 HH12 ARG A 40 7.854 -1.064 -2.418 1.00 0.00 H new ATOM 0 HH21 ARG A 40 8.754 -3.238 0.206 1.00 0.00 H new ATOM 0 HH22 ARG A 40 8.308 -3.110 -1.498 1.00 0.00 H new ATOM 634 N LEU A 41 3.770 -0.999 3.446 1.00 0.00 N ATOM 635 CA LEU A 41 3.057 -1.586 4.571 1.00 0.00 C ATOM 636 C LEU A 41 2.291 -2.821 4.112 1.00 0.00 C ATOM 637 O LEU A 41 1.895 -3.658 4.923 1.00 0.00 O ATOM 638 CB LEU A 41 2.105 -0.560 5.194 1.00 0.00 C ATOM 639 CG LEU A 41 2.352 -0.261 6.674 1.00 0.00 C ATOM 640 CD1 LEU A 41 3.588 0.609 6.843 1.00 0.00 C ATOM 641 CD2 LEU A 41 1.135 0.413 7.290 1.00 0.00 C ATOM 0 H LEU A 41 3.308 -0.191 3.028 1.00 0.00 H new ATOM 0 HA LEU A 41 3.779 -1.885 5.331 1.00 0.00 H new ATOM 0 HB2 LEU A 41 2.182 0.372 4.633 1.00 0.00 H new ATOM 0 HB3 LEU A 41 1.082 -0.919 5.077 1.00 0.00 H new ATOM 0 HG LEU A 41 2.523 -1.204 7.193 1.00 0.00 H new ATOM 0 HD11 LEU A 41 3.748 0.812 7.902 1.00 0.00 H new ATOM 0 HD12 LEU A 41 4.456 0.090 6.437 1.00 0.00 H new ATOM 0 HD13 LEU A 41 3.446 1.550 6.311 1.00 0.00 H new ATOM 0 HD21 LEU A 41 1.327 0.619 8.343 1.00 0.00 H new ATOM 0 HD22 LEU A 41 0.934 1.349 6.768 1.00 0.00 H new ATOM 0 HD23 LEU A 41 0.271 -0.245 7.201 1.00 0.00 H new ATOM 653 N LEU A 42 2.102 -2.936 2.798 1.00 0.00 N ATOM 654 CA LEU A 42 1.406 -4.076 2.224 1.00 0.00 C ATOM 655 C LEU A 42 2.331 -5.282 2.166 1.00 0.00 C ATOM 656 O LEU A 42 1.883 -6.426 2.234 1.00 0.00 O ATOM 657 CB LEU A 42 0.884 -3.735 0.825 1.00 0.00 C ATOM 658 CG LEU A 42 -0.639 -3.678 0.700 1.00 0.00 C ATOM 659 CD1 LEU A 42 -1.248 -5.044 0.973 1.00 0.00 C ATOM 660 CD2 LEU A 42 -1.212 -2.637 1.650 1.00 0.00 C ATOM 0 H LEU A 42 2.423 -2.251 2.114 1.00 0.00 H new ATOM 0 HA LEU A 42 0.555 -4.320 2.859 1.00 0.00 H new ATOM 0 HB2 LEU A 42 1.294 -2.771 0.525 1.00 0.00 H new ATOM 0 HB3 LEU A 42 1.264 -4.476 0.121 1.00 0.00 H new ATOM 0 HG LEU A 42 -0.891 -3.388 -0.320 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -2.332 -4.984 0.880 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -0.861 -5.765 0.253 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -0.988 -5.363 1.982 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -2.297 -2.609 1.548 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -0.950 -2.897 2.676 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -0.800 -1.657 1.408 1.00 0.00 H new ATOM 672 N ILE A 43 3.630 -5.020 2.059 1.00 0.00 N ATOM 673 CA ILE A 43 4.612 -6.096 2.015 1.00 0.00 C ATOM 674 C ILE A 43 4.618 -6.846 3.340 1.00 0.00 C ATOM 675 O ILE A 43 4.859 -8.052 3.384 1.00 0.00 O ATOM 676 CB ILE A 43 6.039 -5.584 1.719 1.00 0.00 C ATOM 677 CG1 ILE A 43 6.011 -4.410 0.735 1.00 0.00 C ATOM 678 CG2 ILE A 43 6.896 -6.715 1.168 1.00 0.00 C ATOM 679 CD1 ILE A 43 5.190 -4.677 -0.507 1.00 0.00 C ATOM 0 H ILE A 43 4.024 -4.081 2.002 1.00 0.00 H new ATOM 0 HA ILE A 43 4.320 -6.759 1.201 1.00 0.00 H new ATOM 0 HB ILE A 43 6.475 -5.230 2.653 1.00 0.00 H new ATOM 0 HG12 ILE A 43 5.611 -3.532 1.242 1.00 0.00 H new ATOM 0 HG13 ILE A 43 7.033 -4.170 0.440 1.00 0.00 H new ATOM 0 HG21 ILE A 43 7.900 -6.344 0.963 1.00 0.00 H new ATOM 0 HG22 ILE A 43 6.950 -7.521 1.900 1.00 0.00 H new ATOM 0 HG23 ILE A 43 6.453 -7.091 0.246 1.00 0.00 H new ATOM 0 HD11 ILE A 43 5.217 -3.802 -1.156 1.00 0.00 H new ATOM 0 HD12 ILE A 43 5.602 -5.535 -1.038 1.00 0.00 H new ATOM 0 HD13 ILE A 43 4.159 -4.887 -0.223 1.00 0.00 H new ATOM 691 N ASN A 44 4.335 -6.120 4.419 1.00 0.00 N ATOM 692 CA ASN A 44 4.290 -6.711 5.749 1.00 0.00 C ATOM 693 C ASN A 44 2.879 -7.191 6.061 1.00 0.00 C ATOM 694 O ASN A 44 2.681 -8.253 6.651 1.00 0.00 O ATOM 695 CB ASN A 44 4.748 -5.696 6.796 1.00 0.00 C ATOM 696 CG ASN A 44 6.157 -5.197 6.540 1.00 0.00 C ATOM 697 OD1 ASN A 44 7.113 -5.656 7.165 1.00 0.00 O ATOM 698 ND2 ASN A 44 6.291 -4.253 5.616 1.00 0.00 N ATOM 0 H ASN A 44 4.134 -5.120 4.395 1.00 0.00 H new ATOM 0 HA ASN A 44 4.965 -7.566 5.776 1.00 0.00 H new ATOM 0 HB2 ASN A 44 4.061 -4.850 6.802 1.00 0.00 H new ATOM 0 HB3 ASN A 44 4.701 -6.152 7.785 1.00 0.00 H new ATOM 0 HD21 ASN A 44 7.215 -3.879 5.399 1.00 0.00 H new ATOM 0 HD22 ASN A 44 5.470 -3.902 5.123 1.00 0.00 H new ATOM 705 N LYS A 45 1.908 -6.395 5.643 1.00 0.00 N ATOM 706 CA LYS A 45 0.498 -6.710 5.845 1.00 0.00 C ATOM 707 C LYS A 45 0.183 -6.985 7.313 1.00 0.00 C ATOM 708 O LYS A 45 0.239 -8.126 7.770 1.00 0.00 O ATOM 709 CB LYS A 45 0.097 -7.912 4.988 1.00 0.00 C ATOM 710 CG LYS A 45 -0.304 -7.538 3.569 1.00 0.00 C ATOM 711 CD LYS A 45 -1.806 -7.671 3.355 1.00 0.00 C ATOM 712 CE LYS A 45 -2.136 -8.734 2.317 1.00 0.00 C ATOM 713 NZ LYS A 45 -2.814 -8.154 1.124 1.00 0.00 N ATOM 0 H LYS A 45 2.071 -5.514 5.155 1.00 0.00 H new ATOM 0 HA LYS A 45 -0.081 -5.838 5.539 1.00 0.00 H new ATOM 0 HB2 LYS A 45 0.930 -8.614 4.949 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -0.734 -8.429 5.468 1.00 0.00 H new ATOM 0 HG2 LYS A 45 0.004 -6.513 3.362 1.00 0.00 H new ATOM 0 HG3 LYS A 45 0.223 -8.178 2.861 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -2.287 -7.924 4.300 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -2.214 -6.712 3.036 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -1.219 -9.235 2.006 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -2.777 -9.493 2.766 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -3.158 -8.922 0.512 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -3.618 -7.570 1.431 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -2.140 -7.565 0.594 1.00 0.00 H new ATOM 727 N GLY A 46 -0.164 -5.928 8.037 1.00 0.00 N ATOM 728 CA GLY A 46 -0.507 -6.057 9.442 1.00 0.00 C ATOM 729 C GLY A 46 0.705 -6.144 10.350 1.00 0.00 C ATOM 730 O GLY A 46 0.789 -7.030 11.200 1.00 0.00 O ATOM 0 H GLY A 46 -0.214 -4.976 7.673 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -1.115 -5.203 9.740 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -1.120 -6.948 9.579 1.00 0.00 H new ATOM 734 N GLN A 47 1.639 -5.215 10.179 1.00 0.00 N ATOM 735 CA GLN A 47 2.844 -5.182 10.999 1.00 0.00 C ATOM 736 C GLN A 47 3.017 -3.809 11.640 1.00 0.00 C ATOM 737 O GLN A 47 2.547 -2.803 11.108 1.00 0.00 O ATOM 738 CB GLN A 47 4.072 -5.522 10.156 1.00 0.00 C ATOM 739 CG GLN A 47 4.365 -7.012 10.083 1.00 0.00 C ATOM 740 CD GLN A 47 4.736 -7.599 11.430 1.00 0.00 C ATOM 741 OE1 GLN A 47 4.004 -8.417 11.987 1.00 0.00 O ATOM 742 NE2 GLN A 47 5.879 -7.182 11.963 1.00 0.00 N ATOM 0 H GLN A 47 1.585 -4.475 9.480 1.00 0.00 H new ATOM 0 HA GLN A 47 2.741 -5.927 11.788 1.00 0.00 H new ATOM 0 HB2 GLN A 47 3.927 -5.139 9.146 1.00 0.00 H new ATOM 0 HB3 GLN A 47 4.940 -5.009 10.570 1.00 0.00 H new ATOM 0 HG2 GLN A 47 3.490 -7.532 9.693 1.00 0.00 H new ATOM 0 HG3 GLN A 47 5.179 -7.185 9.379 1.00 0.00 H new ATOM 0 HE21 GLN A 47 6.455 -6.502 11.466 1.00 0.00 H new ATOM 0 HE22 GLN A 47 6.180 -7.541 12.869 1.00 0.00 H new ATOM 751 N LEU A 48 3.690 -3.773 12.784 1.00 0.00 N ATOM 752 CA LEU A 48 3.918 -2.518 13.491 1.00 0.00 C ATOM 753 C LEU A 48 4.899 -1.636 12.726 1.00 0.00 C ATOM 754 O LEU A 48 6.062 -1.996 12.541 1.00 0.00 O ATOM 755 CB LEU A 48 4.440 -2.791 14.905 1.00 0.00 C ATOM 756 CG LEU A 48 3.571 -2.226 16.031 1.00 0.00 C ATOM 757 CD1 LEU A 48 4.160 -2.572 17.390 1.00 0.00 C ATOM 758 CD2 LEU A 48 3.421 -0.719 15.882 1.00 0.00 C ATOM 0 H LEU A 48 4.086 -4.595 13.241 1.00 0.00 H new ATOM 0 HA LEU A 48 2.968 -1.989 13.564 1.00 0.00 H new ATOM 0 HB2 LEU A 48 4.531 -3.869 15.042 1.00 0.00 H new ATOM 0 HB3 LEU A 48 5.442 -2.372 14.994 1.00 0.00 H new ATOM 0 HG LEU A 48 2.583 -2.680 15.962 1.00 0.00 H new ATOM 0 HD11 LEU A 48 3.527 -2.161 18.176 1.00 0.00 H new ATOM 0 HD12 LEU A 48 4.215 -3.655 17.498 1.00 0.00 H new ATOM 0 HD13 LEU A 48 5.161 -2.148 17.471 1.00 0.00 H new ATOM 0 HD21 LEU A 48 2.800 -0.333 16.691 1.00 0.00 H new ATOM 0 HD22 LEU A 48 4.404 -0.250 15.924 1.00 0.00 H new ATOM 0 HD23 LEU A 48 2.951 -0.493 14.925 1.00 0.00 H new ATOM 770 N CYS A 49 4.420 -0.478 12.281 1.00 0.00 N ATOM 771 CA CYS A 49 5.251 0.458 11.533 1.00 0.00 C ATOM 772 C CYS A 49 5.144 1.860 12.121 1.00 0.00 C ATOM 773 O CYS A 49 4.482 2.731 11.558 1.00 0.00 O ATOM 774 CB CYS A 49 4.840 0.473 10.060 1.00 0.00 C ATOM 775 SG CYS A 49 4.961 -1.135 9.243 1.00 0.00 S ATOM 0 H CYS A 49 3.460 -0.166 12.426 1.00 0.00 H new ATOM 0 HA CYS A 49 6.288 0.130 11.606 1.00 0.00 H new ATOM 0 HB2 CYS A 49 3.813 0.831 9.984 1.00 0.00 H new ATOM 0 HB3 CYS A 49 5.467 1.188 9.526 1.00 0.00 H new ATOM 0 HG CYS A 49 4.121 -1.963 9.789 1.00 0.00 H new ATOM 781 N LEU A 50 5.798 2.063 13.261 1.00 0.00 N ATOM 782 CA LEU A 50 5.785 3.353 13.950 1.00 0.00 C ATOM 783 C LEU A 50 5.975 4.512 12.975 1.00 0.00 C ATOM 784 O LEU A 50 6.354 4.312 11.821 1.00 0.00 O ATOM 785 CB LEU A 50 6.880 3.396 15.022 1.00 0.00 C ATOM 786 CG LEU A 50 6.866 2.244 16.037 1.00 0.00 C ATOM 787 CD1 LEU A 50 5.446 1.761 16.296 1.00 0.00 C ATOM 788 CD2 LEU A 50 7.744 1.096 15.555 1.00 0.00 C ATOM 0 H LEU A 50 6.349 1.345 13.732 1.00 0.00 H new ATOM 0 HA LEU A 50 4.809 3.462 14.423 1.00 0.00 H new ATOM 0 HB2 LEU A 50 7.850 3.405 14.524 1.00 0.00 H new ATOM 0 HB3 LEU A 50 6.793 4.336 15.566 1.00 0.00 H new ATOM 0 HG LEU A 50 7.271 2.617 16.978 1.00 0.00 H new ATOM 0 HD11 LEU A 50 5.465 0.945 17.018 1.00 0.00 H new ATOM 0 HD12 LEU A 50 4.849 2.582 16.692 1.00 0.00 H new ATOM 0 HD13 LEU A 50 5.005 1.409 15.363 1.00 0.00 H new ATOM 0 HD21 LEU A 50 7.722 0.289 16.287 1.00 0.00 H new ATOM 0 HD22 LEU A 50 7.371 0.729 14.599 1.00 0.00 H new ATOM 0 HD23 LEU A 50 8.769 1.448 15.434 1.00 0.00 H new ATOM 800 N ARG A 51 5.709 5.726 13.452 1.00 0.00 N ATOM 801 CA ARG A 51 5.849 6.925 12.630 1.00 0.00 C ATOM 802 C ARG A 51 7.166 6.920 11.873 1.00 0.00 C ATOM 803 O ARG A 51 7.186 6.867 10.647 1.00 0.00 O ATOM 804 CB ARG A 51 5.747 8.180 13.501 1.00 0.00 C ATOM 805 CG ARG A 51 4.624 9.118 13.086 1.00 0.00 C ATOM 806 CD ARG A 51 4.284 10.105 14.191 1.00 0.00 C ATOM 807 NE ARG A 51 2.849 10.368 14.268 1.00 0.00 N ATOM 808 CZ ARG A 51 2.312 11.339 15.003 1.00 0.00 C ATOM 809 NH1 ARG A 51 3.085 12.141 15.725 1.00 0.00 N ATOM 810 NH2 ARG A 51 0.997 11.511 15.014 1.00 0.00 N ATOM 0 H ARG A 51 5.395 5.905 14.406 1.00 0.00 H new ATOM 0 HA ARG A 51 5.038 6.930 11.901 1.00 0.00 H new ATOM 0 HB2 ARG A 51 5.595 7.881 14.538 1.00 0.00 H new ATOM 0 HB3 ARG A 51 6.694 8.719 13.460 1.00 0.00 H new ATOM 0 HG2 ARG A 51 4.917 9.662 12.188 1.00 0.00 H new ATOM 0 HG3 ARG A 51 3.738 8.536 12.831 1.00 0.00 H new ATOM 0 HD2 ARG A 51 4.632 9.713 15.147 1.00 0.00 H new ATOM 0 HD3 ARG A 51 4.815 11.041 14.017 1.00 0.00 H new ATOM 0 HE ARG A 51 2.222 9.773 13.727 1.00 0.00 H new ATOM 0 HH11 ARG A 51 4.097 12.015 15.719 1.00 0.00 H new ATOM 0 HH12 ARG A 51 2.667 12.883 16.286 1.00 0.00 H new ATOM 0 HH21 ARG A 51 0.398 10.899 14.459 1.00 0.00 H new ATOM 0 HH22 ARG A 51 0.585 12.255 15.577 1.00 0.00 H new ATOM 824 N LYS A 52 8.257 6.968 12.621 1.00 0.00 N ATOM 825 CA LYS A 52 9.603 6.968 12.045 1.00 0.00 C ATOM 826 C LYS A 52 9.804 5.807 11.074 1.00 0.00 C ATOM 827 O LYS A 52 10.734 5.818 10.268 1.00 0.00 O ATOM 828 CB LYS A 52 10.655 6.908 13.154 1.00 0.00 C ATOM 829 CG LYS A 52 11.966 7.585 12.787 1.00 0.00 C ATOM 830 CD LYS A 52 12.527 8.388 13.951 1.00 0.00 C ATOM 831 CE LYS A 52 12.320 9.881 13.752 1.00 0.00 C ATOM 832 NZ LYS A 52 11.941 10.565 15.020 1.00 0.00 N ATOM 0 H LYS A 52 8.241 7.008 13.640 1.00 0.00 H new ATOM 0 HA LYS A 52 9.719 7.896 11.485 1.00 0.00 H new ATOM 0 HB2 LYS A 52 10.252 7.378 14.051 1.00 0.00 H new ATOM 0 HB3 LYS A 52 10.851 5.865 13.401 1.00 0.00 H new ATOM 0 HG2 LYS A 52 12.692 6.832 12.481 1.00 0.00 H new ATOM 0 HG3 LYS A 52 11.809 8.243 11.932 1.00 0.00 H new ATOM 0 HD2 LYS A 52 12.045 8.073 14.877 1.00 0.00 H new ATOM 0 HD3 LYS A 52 13.591 8.179 14.059 1.00 0.00 H new ATOM 0 HE2 LYS A 52 13.235 10.325 13.360 1.00 0.00 H new ATOM 0 HE3 LYS A 52 11.542 10.043 13.006 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 11.809 11.581 14.841 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 11.054 10.160 15.382 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 12.695 10.433 15.724 1.00 0.00 H new ATOM 846 N HIS A 53 8.932 4.811 11.142 1.00 0.00 N ATOM 847 CA HIS A 53 9.028 3.668 10.247 1.00 0.00 C ATOM 848 C HIS A 53 8.221 3.919 8.975 1.00 0.00 C ATOM 849 O HIS A 53 8.356 3.194 7.990 1.00 0.00 O ATOM 850 CB HIS A 53 8.538 2.396 10.945 1.00 0.00 C ATOM 851 CG HIS A 53 9.646 1.483 11.369 1.00 0.00 C ATOM 852 ND1 HIS A 53 10.820 1.936 11.934 1.00 0.00 N ATOM 853 CD2 HIS A 53 9.755 0.135 11.310 1.00 0.00 C ATOM 854 CE1 HIS A 53 11.603 0.907 12.202 1.00 0.00 C ATOM 855 NE2 HIS A 53 10.980 -0.197 11.834 1.00 0.00 N ATOM 0 H HIS A 53 8.156 4.771 11.803 1.00 0.00 H new ATOM 0 HA HIS A 53 10.075 3.531 9.975 1.00 0.00 H new ATOM 0 HB2 HIS A 53 7.952 2.674 11.821 1.00 0.00 H new ATOM 0 HB3 HIS A 53 7.870 1.857 10.273 1.00 0.00 H new ATOM 0 HD2 HIS A 53 9.016 -0.551 10.923 1.00 0.00 H new ATOM 0 HE1 HIS A 53 12.586 0.960 12.647 1.00 0.00 H new ATOM 0 HE2 HIS A 53 11.349 -1.144 11.924 1.00 0.00 H new ATOM 864 N LEU A 54 7.383 4.954 9.003 1.00 0.00 N ATOM 865 CA LEU A 54 6.564 5.298 7.852 1.00 0.00 C ATOM 866 C LEU A 54 7.279 6.283 6.944 1.00 0.00 C ATOM 867 O LEU A 54 7.109 6.242 5.730 1.00 0.00 O ATOM 868 CB LEU A 54 5.215 5.865 8.296 1.00 0.00 C ATOM 869 CG LEU A 54 4.070 5.665 7.303 1.00 0.00 C ATOM 870 CD1 LEU A 54 3.364 4.343 7.561 1.00 0.00 C ATOM 871 CD2 LEU A 54 3.086 6.821 7.387 1.00 0.00 C ATOM 0 H LEU A 54 7.257 5.565 9.810 1.00 0.00 H new ATOM 0 HA LEU A 54 6.386 4.383 7.286 1.00 0.00 H new ATOM 0 HB2 LEU A 54 4.938 5.403 9.244 1.00 0.00 H new ATOM 0 HB3 LEU A 54 5.331 6.933 8.483 1.00 0.00 H new ATOM 0 HG LEU A 54 4.487 5.640 6.296 1.00 0.00 H new ATOM 0 HD11 LEU A 54 2.552 4.218 6.845 1.00 0.00 H new ATOM 0 HD12 LEU A 54 4.074 3.524 7.451 1.00 0.00 H new ATOM 0 HD13 LEU A 54 2.959 4.338 8.573 1.00 0.00 H new ATOM 0 HD21 LEU A 54 2.277 6.663 6.674 1.00 0.00 H new ATOM 0 HD22 LEU A 54 2.675 6.877 8.395 1.00 0.00 H new ATOM 0 HD23 LEU A 54 3.599 7.754 7.153 1.00 0.00 H new ATOM 883 N LEU A 55 8.098 7.151 7.523 1.00 0.00 N ATOM 884 CA LEU A 55 8.846 8.107 6.715 1.00 0.00 C ATOM 885 C LEU A 55 10.151 7.477 6.237 1.00 0.00 C ATOM 886 O LEU A 55 10.843 8.035 5.387 1.00 0.00 O ATOM 887 CB LEU A 55 9.118 9.430 7.455 1.00 0.00 C ATOM 888 CG LEU A 55 9.630 9.334 8.893 1.00 0.00 C ATOM 889 CD1 LEU A 55 8.472 9.179 9.859 1.00 0.00 C ATOM 890 CD2 LEU A 55 10.622 8.193 9.043 1.00 0.00 C ATOM 0 H LEU A 55 8.260 7.214 8.528 1.00 0.00 H new ATOM 0 HA LEU A 55 8.226 8.357 5.854 1.00 0.00 H new ATOM 0 HB2 LEU A 55 9.845 9.998 6.875 1.00 0.00 H new ATOM 0 HB3 LEU A 55 8.194 10.009 7.463 1.00 0.00 H new ATOM 0 HG LEU A 55 10.152 10.260 9.132 1.00 0.00 H new ATOM 0 HD11 LEU A 55 8.854 9.112 10.878 1.00 0.00 H new ATOM 0 HD12 LEU A 55 7.811 10.041 9.776 1.00 0.00 H new ATOM 0 HD13 LEU A 55 7.917 8.272 9.619 1.00 0.00 H new ATOM 0 HD21 LEU A 55 10.970 8.147 10.075 1.00 0.00 H new ATOM 0 HD22 LEU A 55 10.137 7.253 8.782 1.00 0.00 H new ATOM 0 HD23 LEU A 55 11.471 8.360 8.380 1.00 0.00 H new ATOM 902 N GLU A 56 10.476 6.299 6.779 1.00 0.00 N ATOM 903 CA GLU A 56 11.687 5.596 6.390 1.00 0.00 C ATOM 904 C GLU A 56 11.426 4.708 5.179 1.00 0.00 C ATOM 905 O GLU A 56 12.333 4.435 4.393 1.00 0.00 O ATOM 906 CB GLU A 56 12.233 4.767 7.559 1.00 0.00 C ATOM 907 CG GLU A 56 11.508 3.448 7.778 1.00 0.00 C ATOM 908 CD GLU A 56 12.061 2.330 6.917 1.00 0.00 C ATOM 909 OE1 GLU A 56 13.223 1.929 7.139 1.00 0.00 O ATOM 910 OE2 GLU A 56 11.333 1.855 6.021 1.00 0.00 O ATOM 0 H GLU A 56 9.916 5.820 7.484 1.00 0.00 H new ATOM 0 HA GLU A 56 12.438 6.337 6.117 1.00 0.00 H new ATOM 0 HB2 GLU A 56 13.289 4.564 7.384 1.00 0.00 H new ATOM 0 HB3 GLU A 56 12.170 5.360 8.471 1.00 0.00 H new ATOM 0 HG2 GLU A 56 11.585 3.165 8.828 1.00 0.00 H new ATOM 0 HG3 GLU A 56 10.448 3.579 7.560 1.00 0.00 H new ATOM 917 N GLU A 57 10.179 4.266 5.025 1.00 0.00 N ATOM 918 CA GLU A 57 9.820 3.419 3.892 1.00 0.00 C ATOM 919 C GLU A 57 9.611 4.260 2.638 1.00 0.00 C ATOM 920 O GLU A 57 9.808 3.782 1.521 1.00 0.00 O ATOM 921 CB GLU A 57 8.581 2.571 4.202 1.00 0.00 C ATOM 922 CG GLU A 57 7.350 3.380 4.560 1.00 0.00 C ATOM 923 CD GLU A 57 6.441 2.655 5.533 1.00 0.00 C ATOM 924 OE1 GLU A 57 6.940 1.781 6.272 1.00 0.00 O ATOM 925 OE2 GLU A 57 5.230 2.961 5.555 1.00 0.00 O ATOM 0 H GLU A 57 9.411 4.477 5.662 1.00 0.00 H new ATOM 0 HA GLU A 57 10.647 2.734 3.708 1.00 0.00 H new ATOM 0 HB2 GLU A 57 8.354 1.949 3.336 1.00 0.00 H new ATOM 0 HB3 GLU A 57 8.812 1.897 5.027 1.00 0.00 H new ATOM 0 HG2 GLU A 57 7.658 4.331 4.995 1.00 0.00 H new ATOM 0 HG3 GLU A 57 6.794 3.611 3.651 1.00 0.00 H new ATOM 932 N ILE A 58 9.266 5.529 2.829 1.00 0.00 N ATOM 933 CA ILE A 58 9.098 6.441 1.701 1.00 0.00 C ATOM 934 C ILE A 58 10.437 7.100 1.399 1.00 0.00 C ATOM 935 O ILE A 58 10.686 7.550 0.285 1.00 0.00 O ATOM 936 CB ILE A 58 8.040 7.554 1.932 1.00 0.00 C ATOM 937 CG1 ILE A 58 7.258 7.345 3.235 1.00 0.00 C ATOM 938 CG2 ILE A 58 7.090 7.630 0.743 1.00 0.00 C ATOM 939 CD1 ILE A 58 6.174 6.289 3.150 1.00 0.00 C ATOM 0 H ILE A 58 9.098 5.947 3.744 1.00 0.00 H new ATOM 0 HA ILE A 58 8.737 5.837 0.869 1.00 0.00 H new ATOM 0 HB ILE A 58 8.573 8.500 2.026 1.00 0.00 H new ATOM 0 HG12 ILE A 58 7.957 7.068 4.024 1.00 0.00 H new ATOM 0 HG13 ILE A 58 6.804 8.292 3.528 1.00 0.00 H new ATOM 0 HG21 ILE A 58 6.353 8.414 0.916 1.00 0.00 H new ATOM 0 HG22 ILE A 58 7.656 7.857 -0.161 1.00 0.00 H new ATOM 0 HG23 ILE A 58 6.581 6.674 0.622 1.00 0.00 H new ATOM 0 HD11 ILE A 58 5.671 6.205 4.113 1.00 0.00 H new ATOM 0 HD12 ILE A 58 5.450 6.572 2.386 1.00 0.00 H new ATOM 0 HD13 ILE A 58 6.620 5.329 2.889 1.00 0.00 H new ATOM 951 N LYS A 59 11.300 7.137 2.410 1.00 0.00 N ATOM 952 CA LYS A 59 12.625 7.720 2.268 1.00 0.00 C ATOM 953 C LYS A 59 13.522 6.793 1.459 1.00 0.00 C ATOM 954 O LYS A 59 14.437 7.242 0.771 1.00 0.00 O ATOM 955 CB LYS A 59 13.235 7.986 3.645 1.00 0.00 C ATOM 956 CG LYS A 59 14.636 8.574 3.589 1.00 0.00 C ATOM 957 CD LYS A 59 15.076 9.099 4.947 1.00 0.00 C ATOM 958 CE LYS A 59 16.451 8.574 5.330 1.00 0.00 C ATOM 959 NZ LYS A 59 16.543 7.096 5.178 1.00 0.00 N ATOM 0 H LYS A 59 11.102 6.768 3.340 1.00 0.00 H new ATOM 0 HA LYS A 59 12.538 8.669 1.738 1.00 0.00 H new ATOM 0 HB2 LYS A 59 12.586 8.668 4.195 1.00 0.00 H new ATOM 0 HB3 LYS A 59 13.265 7.052 4.206 1.00 0.00 H new ATOM 0 HG2 LYS A 59 15.338 7.813 3.247 1.00 0.00 H new ATOM 0 HG3 LYS A 59 14.663 9.383 2.859 1.00 0.00 H new ATOM 0 HD2 LYS A 59 15.094 10.189 4.928 1.00 0.00 H new ATOM 0 HD3 LYS A 59 14.349 8.805 5.704 1.00 0.00 H new ATOM 0 HE2 LYS A 59 17.208 9.051 4.707 1.00 0.00 H new ATOM 0 HE3 LYS A 59 16.669 8.847 6.362 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 17.168 6.710 5.914 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 15.596 6.678 5.273 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 16.930 6.867 4.240 1.00 0.00 H new ATOM 973 N ASN A 60 13.240 5.493 1.532 1.00 0.00 N ATOM 974 CA ASN A 60 14.004 4.506 0.794 1.00 0.00 C ATOM 975 C ASN A 60 13.350 4.236 -0.559 1.00 0.00 C ATOM 976 O ASN A 60 13.426 3.127 -1.089 1.00 0.00 O ATOM 977 CB ASN A 60 14.119 3.208 1.598 1.00 0.00 C ATOM 978 CG ASN A 60 15.530 2.957 2.092 1.00 0.00 C ATOM 979 OD1 ASN A 60 16.334 2.320 1.412 1.00 0.00 O ATOM 980 ND2 ASN A 60 15.838 3.458 3.283 1.00 0.00 N ATOM 0 H ASN A 60 12.485 5.105 2.098 1.00 0.00 H new ATOM 0 HA ASN A 60 15.007 4.898 0.625 1.00 0.00 H new ATOM 0 HB2 ASN A 60 13.441 3.251 2.450 1.00 0.00 H new ATOM 0 HB3 ASN A 60 13.800 2.370 0.978 1.00 0.00 H new ATOM 0 HD21 ASN A 60 16.773 3.321 3.668 1.00 0.00 H new ATOM 0 HD22 ASN A 60 15.140 3.980 3.813 1.00 0.00 H new ATOM 987 N HIS A 61 12.701 5.261 -1.108 1.00 0.00 N ATOM 988 CA HIS A 61 12.025 5.148 -2.389 1.00 0.00 C ATOM 989 C HIS A 61 11.729 6.531 -2.967 1.00 0.00 C ATOM 990 O HIS A 61 12.088 6.828 -4.106 1.00 0.00 O ATOM 991 CB HIS A 61 10.726 4.355 -2.230 1.00 0.00 C ATOM 992 CG HIS A 61 10.218 3.773 -3.512 1.00 0.00 C ATOM 993 ND1 HIS A 61 11.046 3.238 -4.476 1.00 0.00 N ATOM 994 CD2 HIS A 61 8.957 3.644 -3.989 1.00 0.00 C ATOM 995 CE1 HIS A 61 10.317 2.805 -5.490 1.00 0.00 C ATOM 996 NE2 HIS A 61 9.047 3.039 -5.219 1.00 0.00 N ATOM 0 H HIS A 61 12.632 6.183 -0.678 1.00 0.00 H new ATOM 0 HA HIS A 61 12.682 4.619 -3.080 1.00 0.00 H new ATOM 0 HB2 HIS A 61 10.887 3.549 -1.514 1.00 0.00 H new ATOM 0 HB3 HIS A 61 9.961 5.007 -1.809 1.00 0.00 H new ATOM 0 HD2 HIS A 61 8.050 3.958 -3.494 1.00 0.00 H new ATOM 0 HE1 HIS A 61 10.696 2.339 -6.387 1.00 0.00 H new ATOM 0 HE2 HIS A 61 8.260 2.808 -5.825 1.00 0.00 H new ATOM 1005 N ALA A 62 11.075 7.372 -2.169 1.00 0.00 N ATOM 1006 CA ALA A 62 10.731 8.727 -2.592 1.00 0.00 C ATOM 1007 C ALA A 62 9.973 9.475 -1.496 1.00 0.00 C ATOM 1008 O ALA A 62 8.742 9.464 -1.465 1.00 0.00 O ATOM 1009 CB ALA A 62 9.906 8.689 -3.871 1.00 0.00 C ATOM 0 H ALA A 62 10.772 7.138 -1.224 1.00 0.00 H new ATOM 0 HA ALA A 62 11.660 9.263 -2.785 1.00 0.00 H new ATOM 0 HB1 ALA A 62 9.657 9.706 -4.174 1.00 0.00 H new ATOM 0 HB2 ALA A 62 10.481 8.206 -4.661 1.00 0.00 H new ATOM 0 HB3 ALA A 62 8.988 8.128 -3.695 1.00 0.00 H new ATOM 1015 N LYS A 63 10.713 10.126 -0.601 1.00 0.00 N ATOM 1016 CA LYS A 63 10.105 10.881 0.493 1.00 0.00 C ATOM 1017 C LYS A 63 10.079 12.370 0.177 1.00 0.00 C ATOM 1018 O LYS A 63 10.225 13.209 1.066 1.00 0.00 O ATOM 1019 CB LYS A 63 10.865 10.643 1.801 1.00 0.00 C ATOM 1020 CG LYS A 63 12.305 11.136 1.770 1.00 0.00 C ATOM 1021 CD LYS A 63 12.448 12.491 2.445 1.00 0.00 C ATOM 1022 CE LYS A 63 13.790 12.626 3.147 1.00 0.00 C ATOM 1023 NZ LYS A 63 13.650 13.216 4.507 1.00 0.00 N ATOM 0 H LYS A 63 11.733 10.146 -0.611 1.00 0.00 H new ATOM 0 HA LYS A 63 9.080 10.530 0.610 1.00 0.00 H new ATOM 0 HB2 LYS A 63 10.337 11.142 2.614 1.00 0.00 H new ATOM 0 HB3 LYS A 63 10.860 9.576 2.025 1.00 0.00 H new ATOM 0 HG2 LYS A 63 12.949 10.411 2.268 1.00 0.00 H new ATOM 0 HG3 LYS A 63 12.644 11.206 0.736 1.00 0.00 H new ATOM 0 HD2 LYS A 63 12.344 13.281 1.702 1.00 0.00 H new ATOM 0 HD3 LYS A 63 11.643 12.625 3.168 1.00 0.00 H new ATOM 0 HE2 LYS A 63 14.260 11.645 3.224 1.00 0.00 H new ATOM 0 HE3 LYS A 63 14.452 13.250 2.547 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 14.587 13.291 4.951 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 13.225 14.163 4.433 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 13.039 12.607 5.088 1.00 0.00 H new ATOM 1092 N ARG A 68 5.534 17.754 1.642 1.00 0.00 N ATOM 1093 CA ARG A 68 6.278 18.315 2.765 1.00 0.00 C ATOM 1094 C ARG A 68 6.631 17.240 3.788 1.00 0.00 C ATOM 1095 O ARG A 68 7.640 17.340 4.486 1.00 0.00 O ATOM 1096 CB ARG A 68 5.470 19.428 3.435 1.00 0.00 C ATOM 1097 CG ARG A 68 4.861 20.415 2.452 1.00 0.00 C ATOM 1098 CD ARG A 68 3.664 21.137 3.052 1.00 0.00 C ATOM 1099 NE ARG A 68 3.878 22.580 3.131 1.00 0.00 N ATOM 1100 CZ ARG A 68 3.161 23.395 3.902 1.00 0.00 C ATOM 1101 NH1 ARG A 68 2.184 22.913 4.660 1.00 0.00 N ATOM 1102 NH2 ARG A 68 3.421 24.695 3.915 1.00 0.00 N ATOM 0 HA ARG A 68 7.207 18.731 2.375 1.00 0.00 H new ATOM 0 HB2 ARG A 68 4.673 18.980 4.028 1.00 0.00 H new ATOM 0 HB3 ARG A 68 6.116 19.969 4.126 1.00 0.00 H new ATOM 0 HG2 ARG A 68 5.614 21.144 2.154 1.00 0.00 H new ATOM 0 HG3 ARG A 68 4.553 19.887 1.549 1.00 0.00 H new ATOM 0 HD2 ARG A 68 2.779 20.934 2.449 1.00 0.00 H new ATOM 0 HD3 ARG A 68 3.467 20.745 4.050 1.00 0.00 H new ATOM 0 HE ARG A 68 4.620 22.987 2.562 1.00 0.00 H new ATOM 0 HH11 ARG A 68 1.979 21.914 4.654 1.00 0.00 H new ATOM 0 HH12 ARG A 68 1.638 23.542 5.249 1.00 0.00 H new ATOM 0 HH21 ARG A 68 4.170 25.071 3.334 1.00 0.00 H new ATOM 0 HH22 ARG A 68 2.872 25.319 4.506 1.00 0.00 H new ATOM 1116 N ASN A 69 5.793 16.218 3.871 1.00 0.00 N ATOM 1117 CA ASN A 69 6.011 15.121 4.810 1.00 0.00 C ATOM 1118 C ASN A 69 5.228 13.880 4.392 1.00 0.00 C ATOM 1119 O ASN A 69 4.496 13.900 3.403 1.00 0.00 O ATOM 1120 CB ASN A 69 5.609 15.536 6.231 1.00 0.00 C ATOM 1121 CG ASN A 69 4.519 16.593 6.252 1.00 0.00 C ATOM 1122 OD1 ASN A 69 3.561 16.479 5.339 1.00 0.00 O flip ATOM 1123 ND2 ASN A 69 4.538 17.503 7.082 1.00 0.00 N flip ATOM 0 H ASN A 69 4.953 16.123 3.300 1.00 0.00 H new ATOM 0 HA ASN A 69 7.074 14.881 4.799 1.00 0.00 H new ATOM 0 HB2 ASN A 69 5.266 14.657 6.777 1.00 0.00 H new ATOM 0 HB3 ASN A 69 6.486 15.915 6.755 1.00 0.00 H new ATOM 0 HD21 ASN A 69 5.293 17.554 7.766 1.00 0.00 H new ATOM 0 HD22 ASN A 69 3.799 18.206 7.085 1.00 0.00 H new ATOM 1130 N VAL A 70 5.387 12.801 5.154 1.00 0.00 N ATOM 1131 CA VAL A 70 4.694 11.552 4.862 1.00 0.00 C ATOM 1132 C VAL A 70 3.345 11.491 5.568 1.00 0.00 C ATOM 1133 O VAL A 70 2.430 10.803 5.118 1.00 0.00 O ATOM 1134 CB VAL A 70 5.542 10.328 5.271 1.00 0.00 C ATOM 1135 CG1 VAL A 70 5.802 10.327 6.767 1.00 0.00 C ATOM 1136 CG2 VAL A 70 4.865 9.034 4.847 1.00 0.00 C ATOM 0 H VAL A 70 5.989 12.768 5.977 1.00 0.00 H new ATOM 0 HA VAL A 70 4.532 11.524 3.784 1.00 0.00 H new ATOM 0 HB VAL A 70 6.501 10.397 4.757 1.00 0.00 H new ATOM 0 HG11 VAL A 70 6.401 9.456 7.032 1.00 0.00 H new ATOM 0 HG12 VAL A 70 6.339 11.234 7.044 1.00 0.00 H new ATOM 0 HG13 VAL A 70 4.853 10.290 7.301 1.00 0.00 H new ATOM 0 HG21 VAL A 70 5.481 8.186 5.146 1.00 0.00 H new ATOM 0 HG22 VAL A 70 3.889 8.960 5.326 1.00 0.00 H new ATOM 0 HG23 VAL A 70 4.739 9.027 3.764 1.00 0.00 H new ATOM 1146 N ASP A 71 3.226 12.217 6.671 1.00 0.00 N ATOM 1147 CA ASP A 71 1.984 12.247 7.433 1.00 0.00 C ATOM 1148 C ASP A 71 0.855 12.816 6.594 1.00 0.00 C ATOM 1149 O ASP A 71 -0.092 12.112 6.241 1.00 0.00 O ATOM 1150 CB ASP A 71 2.158 13.068 8.713 1.00 0.00 C ATOM 1151 CG ASP A 71 1.658 12.335 9.942 1.00 0.00 C ATOM 1152 OD1 ASP A 71 2.152 11.220 10.211 1.00 0.00 O ATOM 1153 OD2 ASP A 71 0.771 12.876 10.636 1.00 0.00 O ATOM 0 H ASP A 71 3.973 12.793 7.058 1.00 0.00 H new ATOM 0 HA ASP A 71 1.729 11.224 7.708 1.00 0.00 H new ATOM 0 HB2 ASP A 71 3.212 13.314 8.843 1.00 0.00 H new ATOM 0 HB3 ASP A 71 1.621 14.011 8.612 1.00 0.00 H new ATOM 1158 N VAL A 72 0.970 14.089 6.271 1.00 0.00 N ATOM 1159 CA VAL A 72 -0.033 14.763 5.458 1.00 0.00 C ATOM 1160 C VAL A 72 -0.226 14.036 4.134 1.00 0.00 C ATOM 1161 O VAL A 72 -1.280 14.138 3.505 1.00 0.00 O ATOM 1162 CB VAL A 72 0.346 16.232 5.187 1.00 0.00 C ATOM 1163 CG1 VAL A 72 -0.772 16.949 4.443 1.00 0.00 C ATOM 1164 CG2 VAL A 72 0.673 16.945 6.491 1.00 0.00 C ATOM 0 H VAL A 72 1.749 14.682 6.558 1.00 0.00 H new ATOM 0 HA VAL A 72 -0.966 14.748 6.021 1.00 0.00 H new ATOM 0 HB VAL A 72 1.234 16.248 4.556 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -0.483 17.984 4.262 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -0.953 16.451 3.490 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -1.682 16.926 5.043 1.00 0.00 H new ATOM 0 HG21 VAL A 72 0.939 17.981 6.282 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -0.196 16.918 7.148 1.00 0.00 H new ATOM 0 HG23 VAL A 72 1.511 16.447 6.978 1.00 0.00 H new ATOM 1174 N HIS A 73 0.792 13.287 3.724 1.00 0.00 N ATOM 1175 CA HIS A 73 0.722 12.529 2.486 1.00 0.00 C ATOM 1176 C HIS A 73 -0.215 11.342 2.649 1.00 0.00 C ATOM 1177 O HIS A 73 -0.837 10.891 1.687 1.00 0.00 O ATOM 1178 CB HIS A 73 2.112 12.050 2.067 1.00 0.00 C ATOM 1179 CG HIS A 73 2.322 12.057 0.585 1.00 0.00 C ATOM 1180 ND1 HIS A 73 2.010 13.138 -0.213 1.00 0.00 N ATOM 1181 CD2 HIS A 73 2.813 11.107 -0.245 1.00 0.00 C ATOM 1182 CE1 HIS A 73 2.298 12.852 -1.470 1.00 0.00 C ATOM 1183 NE2 HIS A 73 2.787 11.626 -1.516 1.00 0.00 N ATOM 0 H HIS A 73 1.672 13.190 4.231 1.00 0.00 H new ATOM 0 HA HIS A 73 0.333 13.182 1.705 1.00 0.00 H new ATOM 0 HB2 HIS A 73 2.864 12.685 2.536 1.00 0.00 H new ATOM 0 HB3 HIS A 73 2.269 11.039 2.444 1.00 0.00 H new ATOM 0 HD2 HIS A 73 3.160 10.125 0.039 1.00 0.00 H new ATOM 0 HE1 HIS A 73 2.158 13.509 -2.316 1.00 0.00 H new ATOM 0 HE2 HIS A 73 3.096 11.143 -2.360 1.00 0.00 H new ATOM 1192 N ILE A 74 -0.324 10.850 3.878 1.00 0.00 N ATOM 1193 CA ILE A 74 -1.201 9.726 4.166 1.00 0.00 C ATOM 1194 C ILE A 74 -2.655 10.109 3.916 1.00 0.00 C ATOM 1195 O ILE A 74 -3.482 9.265 3.572 1.00 0.00 O ATOM 1196 CB ILE A 74 -1.040 9.235 5.623 1.00 0.00 C ATOM 1197 CG1 ILE A 74 0.365 8.672 5.840 1.00 0.00 C ATOM 1198 CG2 ILE A 74 -2.089 8.183 5.958 1.00 0.00 C ATOM 1199 CD1 ILE A 74 0.924 8.958 7.216 1.00 0.00 C ATOM 0 H ILE A 74 0.182 11.211 4.686 1.00 0.00 H new ATOM 0 HA ILE A 74 -0.917 8.913 3.498 1.00 0.00 H new ATOM 0 HB ILE A 74 -1.184 10.086 6.289 1.00 0.00 H new ATOM 0 HG12 ILE A 74 0.344 7.594 5.682 1.00 0.00 H new ATOM 0 HG13 ILE A 74 1.036 9.091 5.090 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -1.956 7.852 6.988 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -3.084 8.611 5.840 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -1.978 7.332 5.286 1.00 0.00 H new ATOM 0 HD11 ILE A 74 1.923 8.530 7.299 1.00 0.00 H new ATOM 0 HD12 ILE A 74 0.977 10.036 7.370 1.00 0.00 H new ATOM 0 HD13 ILE A 74 0.275 8.515 7.972 1.00 0.00 H new ATOM 1211 N ALA A 75 -2.954 11.392 4.088 1.00 0.00 N ATOM 1212 CA ALA A 75 -4.305 11.894 3.877 1.00 0.00 C ATOM 1213 C ALA A 75 -4.694 11.795 2.414 1.00 0.00 C ATOM 1214 O ALA A 75 -5.711 11.195 2.067 1.00 0.00 O ATOM 1215 CB ALA A 75 -4.426 13.328 4.369 1.00 0.00 C ATOM 0 H ALA A 75 -2.279 12.102 4.373 1.00 0.00 H new ATOM 0 HA ALA A 75 -4.992 11.275 4.453 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -5.442 13.685 4.203 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -4.197 13.368 5.434 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -3.725 13.960 3.823 1.00 0.00 H new ATOM 1221 N SER A 76 -3.868 12.368 1.560 1.00 0.00 N ATOM 1222 CA SER A 76 -4.113 12.324 0.125 1.00 0.00 C ATOM 1223 C SER A 76 -4.137 10.879 -0.349 1.00 0.00 C ATOM 1224 O SER A 76 -4.737 10.556 -1.374 1.00 0.00 O ATOM 1225 CB SER A 76 -3.045 13.115 -0.632 1.00 0.00 C ATOM 1226 OG SER A 76 -3.468 13.412 -1.951 1.00 0.00 O ATOM 0 H SER A 76 -3.022 12.869 1.831 1.00 0.00 H new ATOM 0 HA SER A 76 -5.081 12.782 -0.078 1.00 0.00 H new ATOM 0 HB2 SER A 76 -2.828 14.041 -0.099 1.00 0.00 H new ATOM 0 HB3 SER A 76 -2.119 12.542 -0.665 1.00 0.00 H new ATOM 0 HG SER A 76 -2.800 13.086 -2.590 1.00 0.00 H new ATOM 1232 N LEU A 77 -3.494 10.010 0.423 1.00 0.00 N ATOM 1233 CA LEU A 77 -3.454 8.595 0.107 1.00 0.00 C ATOM 1234 C LEU A 77 -4.853 8.019 0.153 1.00 0.00 C ATOM 1235 O LEU A 77 -5.239 7.213 -0.692 1.00 0.00 O ATOM 1236 CB LEU A 77 -2.558 7.854 1.100 1.00 0.00 C ATOM 1237 CG LEU A 77 -1.470 6.988 0.469 1.00 0.00 C ATOM 1238 CD1 LEU A 77 -0.133 7.703 0.523 1.00 0.00 C ATOM 1239 CD2 LEU A 77 -1.384 5.640 1.171 1.00 0.00 C ATOM 0 H LEU A 77 -2.993 10.266 1.274 1.00 0.00 H new ATOM 0 HA LEU A 77 -3.045 8.472 -0.896 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -2.084 8.586 1.754 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -3.184 7.222 1.729 1.00 0.00 H new ATOM 0 HG LEU A 77 -1.729 6.813 -0.575 1.00 0.00 H new ATOM 0 HD11 LEU A 77 0.634 7.075 0.070 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -0.201 8.644 -0.023 1.00 0.00 H new ATOM 0 HD13 LEU A 77 0.130 7.905 1.561 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -0.603 5.037 0.707 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -1.147 5.793 2.224 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -2.340 5.124 1.085 1.00 0.00 H new ATOM 1251 N ARG A 78 -5.605 8.446 1.155 1.00 0.00 N ATOM 1252 CA ARG A 78 -6.970 7.984 1.342 1.00 0.00 C ATOM 1253 C ARG A 78 -7.810 8.212 0.089 1.00 0.00 C ATOM 1254 O ARG A 78 -8.819 7.539 -0.121 1.00 0.00 O ATOM 1255 CB ARG A 78 -7.609 8.695 2.538 1.00 0.00 C ATOM 1256 CG ARG A 78 -7.685 7.837 3.790 1.00 0.00 C ATOM 1257 CD ARG A 78 -7.714 8.691 5.047 1.00 0.00 C ATOM 1258 NE ARG A 78 -6.978 8.072 6.147 1.00 0.00 N ATOM 1259 CZ ARG A 78 -6.545 8.737 7.215 1.00 0.00 C ATOM 1260 NH1 ARG A 78 -6.774 10.039 7.334 1.00 0.00 N ATOM 1261 NH2 ARG A 78 -5.881 8.098 8.169 1.00 0.00 N ATOM 0 H ARG A 78 -5.289 9.117 1.856 1.00 0.00 H new ATOM 0 HA ARG A 78 -6.937 6.912 1.536 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -7.039 9.597 2.760 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -8.615 9.013 2.265 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -8.578 7.213 3.752 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -6.828 7.165 3.825 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -7.286 9.670 4.830 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -8.748 8.855 5.350 1.00 0.00 H new ATOM 0 HE ARG A 78 -6.785 7.072 6.093 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -7.285 10.536 6.604 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -6.439 10.543 8.155 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -5.703 7.097 8.084 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -5.549 8.607 8.988 1.00 0.00 H new ATOM 1275 N LYS A 79 -7.397 9.167 -0.735 1.00 0.00 N ATOM 1276 CA LYS A 79 -8.129 9.477 -1.958 1.00 0.00 C ATOM 1277 C LYS A 79 -7.685 8.598 -3.122 1.00 0.00 C ATOM 1278 O LYS A 79 -8.424 8.420 -4.091 1.00 0.00 O ATOM 1279 CB LYS A 79 -7.960 10.952 -2.321 1.00 0.00 C ATOM 1280 CG LYS A 79 -8.803 11.889 -1.471 1.00 0.00 C ATOM 1281 CD LYS A 79 -9.238 13.114 -2.258 1.00 0.00 C ATOM 1282 CE LYS A 79 -10.355 12.781 -3.234 1.00 0.00 C ATOM 1283 NZ LYS A 79 -10.915 14.003 -3.874 1.00 0.00 N ATOM 0 H LYS A 79 -6.565 9.737 -0.581 1.00 0.00 H new ATOM 0 HA LYS A 79 -9.183 9.272 -1.769 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -6.910 11.225 -2.216 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -8.222 11.092 -3.370 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -9.682 11.359 -1.106 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -8.233 12.201 -0.596 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -9.574 13.890 -1.570 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -8.386 13.519 -2.803 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -9.976 12.109 -4.004 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -11.149 12.249 -2.710 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -11.674 13.733 -4.532 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -11.300 14.633 -3.142 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -10.163 14.497 -4.396 1.00 0.00 H new ATOM 1297 N LYS A 80 -6.480 8.055 -3.029 1.00 0.00 N ATOM 1298 CA LYS A 80 -5.950 7.204 -4.080 1.00 0.00 C ATOM 1299 C LYS A 80 -6.306 5.744 -3.843 1.00 0.00 C ATOM 1300 O LYS A 80 -6.880 5.079 -4.707 1.00 0.00 O ATOM 1301 CB LYS A 80 -4.432 7.364 -4.180 1.00 0.00 C ATOM 1302 CG LYS A 80 -4.000 8.518 -5.072 1.00 0.00 C ATOM 1303 CD LYS A 80 -3.169 9.537 -4.309 1.00 0.00 C ATOM 1304 CE LYS A 80 -3.363 10.940 -4.862 1.00 0.00 C ATOM 1305 NZ LYS A 80 -2.737 11.100 -6.204 1.00 0.00 N ATOM 0 H LYS A 80 -5.852 8.189 -2.236 1.00 0.00 H new ATOM 0 HA LYS A 80 -6.405 7.515 -5.021 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -4.024 7.516 -3.181 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -4.002 6.439 -4.563 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -3.422 8.132 -5.912 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -4.881 9.006 -5.489 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -3.446 9.519 -3.255 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -2.115 9.265 -4.366 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -4.429 11.159 -4.930 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -2.932 11.665 -4.172 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -2.556 12.108 -6.385 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -1.839 10.576 -6.233 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -3.378 10.727 -6.933 1.00 0.00 H new ATOM 1319 N LEU A 81 -5.941 5.253 -2.673 1.00 0.00 N ATOM 1320 CA LEU A 81 -6.188 3.869 -2.299 1.00 0.00 C ATOM 1321 C LEU A 81 -7.602 3.661 -1.746 1.00 0.00 C ATOM 1322 O LEU A 81 -8.103 2.537 -1.722 1.00 0.00 O ATOM 1323 CB LEU A 81 -5.125 3.423 -1.289 1.00 0.00 C ATOM 1324 CG LEU A 81 -5.527 3.443 0.189 1.00 0.00 C ATOM 1325 CD1 LEU A 81 -4.317 3.147 1.063 1.00 0.00 C ATOM 1326 CD2 LEU A 81 -6.142 4.783 0.562 1.00 0.00 C ATOM 0 H LEU A 81 -5.466 5.800 -1.955 1.00 0.00 H new ATOM 0 HA LEU A 81 -6.118 3.253 -3.195 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -4.818 2.409 -1.544 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -4.250 4.061 -1.412 1.00 0.00 H new ATOM 0 HG LEU A 81 -6.277 2.670 0.356 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -4.613 3.164 2.112 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -3.920 2.163 0.813 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -3.550 3.902 0.891 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -6.420 4.775 1.616 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -5.418 5.578 0.384 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -7.030 4.958 -0.046 1.00 0.00 H new ATOM 1338 N GLY A 82 -8.242 4.741 -1.307 1.00 0.00 N ATOM 1339 CA GLY A 82 -9.589 4.632 -0.771 1.00 0.00 C ATOM 1340 C GLY A 82 -9.631 4.667 0.747 1.00 0.00 C ATOM 1341 O GLY A 82 -9.108 5.591 1.369 1.00 0.00 O ATOM 0 H GLY A 82 -7.855 5.685 -1.312 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -10.197 5.447 -1.164 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -10.038 3.702 -1.120 1.00 0.00 H new ATOM 1345 N ALA A 83 -10.267 3.660 1.343 1.00 0.00 N ATOM 1346 CA ALA A 83 -10.390 3.582 2.796 1.00 0.00 C ATOM 1347 C ALA A 83 -9.170 2.925 3.434 1.00 0.00 C ATOM 1348 O ALA A 83 -8.903 3.112 4.621 1.00 0.00 O ATOM 1349 CB ALA A 83 -11.655 2.828 3.177 1.00 0.00 C ATOM 0 H ALA A 83 -10.705 2.887 0.841 1.00 0.00 H new ATOM 0 HA ALA A 83 -10.451 4.601 3.177 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -11.735 2.777 4.263 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -12.524 3.348 2.773 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -11.614 1.818 2.768 1.00 0.00 H new ATOM 1355 N TYR A 84 -8.431 2.160 2.641 1.00 0.00 N ATOM 1356 CA TYR A 84 -7.238 1.478 3.125 1.00 0.00 C ATOM 1357 C TYR A 84 -6.274 2.470 3.766 1.00 0.00 C ATOM 1358 O TYR A 84 -5.464 2.104 4.614 1.00 0.00 O ATOM 1359 CB TYR A 84 -6.546 0.734 1.980 1.00 0.00 C ATOM 1360 CG TYR A 84 -6.386 -0.748 2.233 1.00 0.00 C ATOM 1361 CD1 TYR A 84 -7.487 -1.594 2.240 1.00 0.00 C ATOM 1362 CD2 TYR A 84 -5.132 -1.300 2.465 1.00 0.00 C ATOM 1363 CE1 TYR A 84 -7.344 -2.949 2.472 1.00 0.00 C ATOM 1364 CE2 TYR A 84 -4.981 -2.654 2.697 1.00 0.00 C ATOM 1365 CZ TYR A 84 -6.090 -3.474 2.700 1.00 0.00 C ATOM 1366 OH TYR A 84 -5.943 -4.822 2.931 1.00 0.00 O ATOM 0 H TYR A 84 -8.638 1.996 1.656 1.00 0.00 H new ATOM 0 HA TYR A 84 -7.542 0.753 3.880 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -7.120 0.878 1.064 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -5.563 1.174 1.813 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -8.471 -1.187 2.061 1.00 0.00 H new ATOM 0 HD2 TYR A 84 -4.262 -0.661 2.464 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -8.211 -3.593 2.475 1.00 0.00 H new ATOM 0 HE2 TYR A 84 -4.000 -3.068 2.875 1.00 0.00 H new ATOM 0 HH TYR A 84 -4.995 -5.028 3.072 1.00 0.00 H new ATOM 1376 N GLY A 85 -6.375 3.732 3.365 1.00 0.00 N ATOM 1377 CA GLY A 85 -5.512 4.750 3.928 1.00 0.00 C ATOM 1378 C GLY A 85 -5.756 4.922 5.412 1.00 0.00 C ATOM 1379 O GLY A 85 -4.867 5.339 6.154 1.00 0.00 O ATOM 0 H GLY A 85 -7.036 4.066 2.664 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -4.470 4.480 3.758 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -5.683 5.698 3.417 1.00 0.00 H new ATOM 1383 N SER A 86 -6.969 4.586 5.844 1.00 0.00 N ATOM 1384 CA SER A 86 -7.336 4.687 7.248 1.00 0.00 C ATOM 1385 C SER A 86 -6.789 3.500 8.033 1.00 0.00 C ATOM 1386 O SER A 86 -6.626 3.572 9.251 1.00 0.00 O ATOM 1387 CB SER A 86 -8.858 4.760 7.396 1.00 0.00 C ATOM 1388 OG SER A 86 -9.288 6.095 7.597 1.00 0.00 O ATOM 0 H SER A 86 -7.714 4.241 5.238 1.00 0.00 H new ATOM 0 HA SER A 86 -6.899 5.600 7.652 1.00 0.00 H new ATOM 0 HB2 SER A 86 -9.333 4.352 6.504 1.00 0.00 H new ATOM 0 HB3 SER A 86 -9.175 4.142 8.236 1.00 0.00 H new ATOM 0 HG SER A 86 -10.264 6.114 7.687 1.00 0.00 H new ATOM 1394 N ARG A 87 -6.499 2.408 7.325 1.00 0.00 N ATOM 1395 CA ARG A 87 -5.960 1.205 7.958 1.00 0.00 C ATOM 1396 C ARG A 87 -4.808 1.563 8.898 1.00 0.00 C ATOM 1397 O ARG A 87 -4.603 0.912 9.922 1.00 0.00 O ATOM 1398 CB ARG A 87 -5.500 0.209 6.882 1.00 0.00 C ATOM 1399 CG ARG A 87 -4.522 -0.859 7.369 1.00 0.00 C ATOM 1400 CD ARG A 87 -3.276 -0.925 6.495 1.00 0.00 C ATOM 1401 NE ARG A 87 -2.851 0.392 6.020 1.00 0.00 N ATOM 1402 CZ ARG A 87 -2.140 0.588 4.909 1.00 0.00 C ATOM 1403 NH1 ARG A 87 -1.757 -0.442 4.166 1.00 0.00 N ATOM 1404 NH2 ARG A 87 -1.811 1.819 4.540 1.00 0.00 N ATOM 0 H ARG A 87 -6.628 2.332 6.316 1.00 0.00 H new ATOM 0 HA ARG A 87 -6.744 0.736 8.552 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -6.378 -0.286 6.467 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -5.033 0.765 6.069 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -4.233 -0.645 8.398 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -5.016 -1.831 7.372 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -2.464 -1.383 7.060 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -3.471 -1.570 5.639 1.00 0.00 H new ATOM 0 HE ARG A 87 -3.114 1.209 6.571 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -2.006 -1.391 4.443 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -1.213 -0.285 3.317 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -2.102 2.616 5.106 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -1.267 1.968 3.690 1.00 0.00 H new ATOM 1418 N ILE A 88 -4.066 2.608 8.545 1.00 0.00 N ATOM 1419 CA ILE A 88 -2.943 3.057 9.361 1.00 0.00 C ATOM 1420 C ILE A 88 -3.419 3.467 10.752 1.00 0.00 C ATOM 1421 O ILE A 88 -3.726 4.634 10.995 1.00 0.00 O ATOM 1422 CB ILE A 88 -2.213 4.244 8.699 1.00 0.00 C ATOM 1423 CG1 ILE A 88 -1.843 3.896 7.256 1.00 0.00 C ATOM 1424 CG2 ILE A 88 -0.970 4.623 9.493 1.00 0.00 C ATOM 1425 CD1 ILE A 88 -2.149 5.002 6.270 1.00 0.00 C ATOM 0 H ILE A 88 -4.222 3.159 7.701 1.00 0.00 H new ATOM 0 HA ILE A 88 -2.248 2.222 9.449 1.00 0.00 H new ATOM 0 HB ILE A 88 -2.884 5.103 8.691 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -0.779 3.662 7.209 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -2.381 2.996 6.958 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -0.471 5.462 9.009 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -1.258 4.907 10.505 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -0.291 3.771 9.534 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -1.861 4.686 5.267 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -3.217 5.221 6.289 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -1.590 5.897 6.543 1.00 0.00 H new ATOM 1437 N VAL A 89 -3.489 2.495 11.659 1.00 0.00 N ATOM 1438 CA VAL A 89 -3.940 2.753 13.022 1.00 0.00 C ATOM 1439 C VAL A 89 -2.877 3.487 13.831 1.00 0.00 C ATOM 1440 O VAL A 89 -1.686 3.210 13.705 1.00 0.00 O ATOM 1441 CB VAL A 89 -4.306 1.444 13.747 1.00 0.00 C ATOM 1442 CG1 VAL A 89 -4.973 1.736 15.083 1.00 0.00 C ATOM 1443 CG2 VAL A 89 -5.206 0.583 12.872 1.00 0.00 C ATOM 0 H VAL A 89 -3.239 1.524 11.474 1.00 0.00 H new ATOM 0 HA VAL A 89 -4.827 3.382 12.945 1.00 0.00 H new ATOM 0 HB VAL A 89 -3.387 0.892 13.941 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -5.223 0.797 15.578 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -4.291 2.308 15.713 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -5.883 2.312 14.917 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -5.454 -0.338 13.400 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -6.122 1.129 12.644 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -4.687 0.340 11.944 1.00 0.00 H new ATOM 1453 N THR A 90 -3.318 4.423 14.666 1.00 0.00 N ATOM 1454 CA THR A 90 -2.406 5.196 15.502 1.00 0.00 C ATOM 1455 C THR A 90 -2.691 4.946 16.980 1.00 0.00 C ATOM 1456 O THR A 90 -3.669 5.453 17.528 1.00 0.00 O ATOM 1457 CB THR A 90 -2.534 6.689 15.191 1.00 0.00 C ATOM 1458 OG1 THR A 90 -3.081 6.887 13.899 1.00 0.00 O ATOM 1459 CG2 THR A 90 -1.213 7.427 15.247 1.00 0.00 C ATOM 0 H THR A 90 -4.302 4.665 14.782 1.00 0.00 H new ATOM 0 HA THR A 90 -1.387 4.875 15.283 1.00 0.00 H new ATOM 0 HB THR A 90 -3.190 7.090 15.964 1.00 0.00 H new ATOM 0 HG1 THR A 90 -3.156 7.847 13.719 1.00 0.00 H new ATOM 0 HG21 THR A 90 -1.375 8.480 15.017 1.00 0.00 H new ATOM 0 HG22 THR A 90 -0.787 7.335 16.246 1.00 0.00 H new ATOM 0 HG23 THR A 90 -0.525 6.998 14.518 1.00 0.00 H new ATOM 1467 N LEU A 91 -1.833 4.156 17.617 1.00 0.00 N ATOM 1468 CA LEU A 91 -1.997 3.834 19.030 1.00 0.00 C ATOM 1469 C LEU A 91 -1.204 4.797 19.909 1.00 0.00 C ATOM 1470 O LEU A 91 -0.082 5.177 19.576 1.00 0.00 O ATOM 1471 CB LEU A 91 -1.551 2.394 19.298 1.00 0.00 C ATOM 1472 CG LEU A 91 -2.552 1.542 20.081 1.00 0.00 C ATOM 1473 CD1 LEU A 91 -3.429 0.742 19.131 1.00 0.00 C ATOM 1474 CD2 LEU A 91 -1.826 0.617 21.046 1.00 0.00 C ATOM 0 H LEU A 91 -1.018 3.727 17.178 1.00 0.00 H new ATOM 0 HA LEU A 91 -3.053 3.935 19.279 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -1.352 1.908 18.343 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -0.609 2.417 19.847 1.00 0.00 H new ATOM 0 HG LEU A 91 -3.192 2.208 20.660 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -4.135 0.142 19.705 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -3.977 1.424 18.481 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -2.804 0.086 18.525 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -2.554 0.019 21.594 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -1.161 -0.042 20.488 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -1.241 1.211 21.749 1.00 0.00 H new ATOM 1486 N ARG A 92 -1.794 5.182 21.036 1.00 0.00 N ATOM 1487 CA ARG A 92 -1.140 6.094 21.966 1.00 0.00 C ATOM 1488 C ARG A 92 -0.301 5.318 22.976 1.00 0.00 C ATOM 1489 O ARG A 92 -0.636 5.247 24.158 1.00 0.00 O ATOM 1490 CB ARG A 92 -2.181 6.948 22.694 1.00 0.00 C ATOM 1491 CG ARG A 92 -3.214 6.131 23.455 1.00 0.00 C ATOM 1492 CD ARG A 92 -4.633 6.564 23.118 1.00 0.00 C ATOM 1493 NE ARG A 92 -5.437 6.787 24.317 1.00 0.00 N ATOM 1494 CZ ARG A 92 -5.325 7.862 25.095 1.00 0.00 C ATOM 1495 NH1 ARG A 92 -4.444 8.811 24.805 1.00 0.00 N ATOM 1496 NH2 ARG A 92 -6.097 7.988 26.166 1.00 0.00 N ATOM 0 H ARG A 92 -2.723 4.877 21.327 1.00 0.00 H new ATOM 0 HA ARG A 92 -0.481 6.750 21.397 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -1.670 7.613 23.391 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -2.693 7.580 21.968 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -3.090 5.075 23.217 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -3.045 6.238 24.527 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -4.602 7.479 22.527 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -5.107 5.802 22.500 1.00 0.00 H new ATOM 0 HE ARG A 92 -6.124 6.078 24.573 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -3.848 8.719 23.982 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -4.363 9.632 25.405 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -6.776 7.262 26.393 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -6.012 8.811 26.762 1.00 0.00 H new ATOM 1510 N GLY A 93 0.791 4.734 22.496 1.00 0.00 N ATOM 1511 CA GLY A 93 1.666 3.964 23.359 1.00 0.00 C ATOM 1512 C GLY A 93 2.701 3.185 22.576 1.00 0.00 C ATOM 1513 O GLY A 93 3.840 3.032 23.017 1.00 0.00 O ATOM 0 H GLY A 93 1.086 4.781 21.521 1.00 0.00 H new ATOM 0 HA2 GLY A 93 2.169 4.635 24.055 1.00 0.00 H new ATOM 0 HA3 GLY A 93 1.069 3.274 23.956 1.00 0.00 H new ATOM 1517 N VAL A 94 2.305 2.698 21.406 1.00 0.00 N ATOM 1518 CA VAL A 94 3.206 1.936 20.553 1.00 0.00 C ATOM 1519 C VAL A 94 3.476 2.681 19.249 1.00 0.00 C ATOM 1520 O VAL A 94 4.587 2.645 18.722 1.00 0.00 O ATOM 1521 CB VAL A 94 2.638 0.537 20.240 1.00 0.00 C ATOM 1522 CG1 VAL A 94 1.263 0.643 19.599 1.00 0.00 C ATOM 1523 CG2 VAL A 94 3.594 -0.246 19.351 1.00 0.00 C ATOM 0 H VAL A 94 1.366 2.818 21.027 1.00 0.00 H new ATOM 0 HA VAL A 94 4.142 1.815 21.098 1.00 0.00 H new ATOM 0 HB VAL A 94 2.530 -0.005 21.180 1.00 0.00 H new ATOM 0 HG11 VAL A 94 0.882 -0.356 19.387 1.00 0.00 H new ATOM 0 HG12 VAL A 94 0.582 1.154 20.280 1.00 0.00 H new ATOM 0 HG13 VAL A 94 1.337 1.208 18.670 1.00 0.00 H new ATOM 0 HG21 VAL A 94 3.174 -1.230 19.143 1.00 0.00 H new ATOM 0 HG22 VAL A 94 3.742 0.291 18.414 1.00 0.00 H new ATOM 0 HG23 VAL A 94 4.552 -0.361 19.859 1.00 0.00 H new ATOM 1533 N GLY A 95 2.455 3.364 18.737 1.00 0.00 N ATOM 1534 CA GLY A 95 2.609 4.113 17.503 1.00 0.00 C ATOM 1535 C GLY A 95 1.694 3.623 16.399 1.00 0.00 C ATOM 1536 O GLY A 95 0.570 3.192 16.658 1.00 0.00 O ATOM 0 H GLY A 95 1.526 3.412 19.154 1.00 0.00 H new ATOM 0 HA2 GLY A 95 2.406 5.167 17.695 1.00 0.00 H new ATOM 0 HA3 GLY A 95 3.644 4.043 17.168 1.00 0.00 H new ATOM 1540 N TYR A 96 2.178 3.693 15.165 1.00 0.00 N ATOM 1541 CA TYR A 96 1.405 3.260 14.009 1.00 0.00 C ATOM 1542 C TYR A 96 1.250 1.743 14.000 1.00 0.00 C ATOM 1543 O TYR A 96 2.227 1.012 14.149 1.00 0.00 O ATOM 1544 CB TYR A 96 2.088 3.722 12.721 1.00 0.00 C ATOM 1545 CG TYR A 96 1.622 5.075 12.226 1.00 0.00 C ATOM 1546 CD1 TYR A 96 0.289 5.458 12.322 1.00 0.00 C ATOM 1547 CD2 TYR A 96 2.521 5.972 11.663 1.00 0.00 C ATOM 1548 CE1 TYR A 96 -0.133 6.694 11.870 1.00 0.00 C ATOM 1549 CE2 TYR A 96 2.107 7.209 11.209 1.00 0.00 C ATOM 1550 CZ TYR A 96 0.779 7.566 11.315 1.00 0.00 C ATOM 1551 OH TYR A 96 0.363 8.797 10.864 1.00 0.00 O ATOM 0 H TYR A 96 3.107 4.048 14.939 1.00 0.00 H new ATOM 0 HA TYR A 96 0.413 3.708 14.071 1.00 0.00 H new ATOM 0 HB2 TYR A 96 3.165 3.759 12.886 1.00 0.00 H new ATOM 0 HB3 TYR A 96 1.910 2.981 11.942 1.00 0.00 H new ATOM 0 HD1 TYR A 96 -0.429 4.778 12.757 1.00 0.00 H new ATOM 0 HD2 TYR A 96 3.562 5.697 11.579 1.00 0.00 H new ATOM 0 HE1 TYR A 96 -1.173 6.975 11.951 1.00 0.00 H new ATOM 0 HE2 TYR A 96 2.820 7.893 10.773 1.00 0.00 H new ATOM 0 HH TYR A 96 1.139 9.386 10.757 1.00 0.00 H new ATOM 1561 N LEU A 97 0.018 1.275 13.826 1.00 0.00 N ATOM 1562 CA LEU A 97 -0.251 -0.157 13.802 1.00 0.00 C ATOM 1563 C LEU A 97 -1.092 -0.545 12.593 1.00 0.00 C ATOM 1564 O LEU A 97 -2.086 0.107 12.273 1.00 0.00 O ATOM 1565 CB LEU A 97 -0.964 -0.589 15.087 1.00 0.00 C ATOM 1566 CG LEU A 97 -1.190 -2.098 15.238 1.00 0.00 C ATOM 1567 CD1 LEU A 97 -2.372 -2.554 14.393 1.00 0.00 C ATOM 1568 CD2 LEU A 97 0.066 -2.874 14.862 1.00 0.00 C ATOM 0 H LEU A 97 -0.805 1.864 13.700 1.00 0.00 H new ATOM 0 HA LEU A 97 0.708 -0.670 13.731 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -0.383 -0.239 15.940 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -1.931 -0.088 15.132 1.00 0.00 H new ATOM 0 HG LEU A 97 -1.417 -2.302 16.284 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -2.514 -3.628 14.515 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -3.272 -2.030 14.714 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -2.177 -2.331 13.344 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -0.118 -3.942 14.977 1.00 0.00 H new ATOM 0 HD22 LEU A 97 0.329 -2.661 13.826 1.00 0.00 H new ATOM 0 HD23 LEU A 97 0.887 -2.575 15.514 1.00 0.00 H new ATOM 1580 N PHE A 98 -0.687 -1.624 11.938 1.00 0.00 N ATOM 1581 CA PHE A 98 -1.394 -2.132 10.771 1.00 0.00 C ATOM 1582 C PHE A 98 -2.418 -3.176 11.203 1.00 0.00 C ATOM 1583 O PHE A 98 -2.091 -4.349 11.377 1.00 0.00 O ATOM 1584 CB PHE A 98 -0.391 -2.742 9.791 1.00 0.00 C ATOM 1585 CG PHE A 98 -0.923 -2.971 8.401 1.00 0.00 C ATOM 1586 CD1 PHE A 98 -2.130 -3.624 8.190 1.00 0.00 C ATOM 1587 CD2 PHE A 98 -0.197 -2.551 7.297 1.00 0.00 C ATOM 1588 CE1 PHE A 98 -2.599 -3.847 6.910 1.00 0.00 C ATOM 1589 CE2 PHE A 98 -0.661 -2.775 6.015 1.00 0.00 C ATOM 1590 CZ PHE A 98 -1.864 -3.423 5.822 1.00 0.00 C ATOM 0 H PHE A 98 0.135 -2.169 12.198 1.00 0.00 H new ATOM 0 HA PHE A 98 -1.917 -1.314 10.276 1.00 0.00 H new ATOM 0 HB2 PHE A 98 0.478 -2.087 9.729 1.00 0.00 H new ATOM 0 HB3 PHE A 98 -0.045 -3.694 10.193 1.00 0.00 H new ATOM 0 HD1 PHE A 98 -2.709 -3.962 9.037 1.00 0.00 H new ATOM 0 HD2 PHE A 98 0.744 -2.042 7.441 1.00 0.00 H new ATOM 0 HE1 PHE A 98 -3.541 -4.353 6.761 1.00 0.00 H new ATOM 0 HE2 PHE A 98 -0.083 -2.443 5.165 1.00 0.00 H new ATOM 0 HZ PHE A 98 -2.230 -3.598 4.821 1.00 0.00 H new ATOM 1600 N SER A 99 -3.656 -2.739 11.390 1.00 0.00 N ATOM 1601 CA SER A 99 -4.726 -3.635 11.818 1.00 0.00 C ATOM 1602 C SER A 99 -5.725 -3.886 10.692 1.00 0.00 C ATOM 1603 O SER A 99 -6.669 -3.119 10.504 1.00 0.00 O ATOM 1604 CB SER A 99 -5.450 -3.053 13.033 1.00 0.00 C ATOM 1605 OG SER A 99 -6.634 -3.778 13.317 1.00 0.00 O ATOM 0 H SER A 99 -3.946 -1.771 11.253 1.00 0.00 H new ATOM 0 HA SER A 99 -4.272 -4.588 12.090 1.00 0.00 H new ATOM 0 HB2 SER A 99 -4.789 -3.076 13.899 1.00 0.00 H new ATOM 0 HB3 SER A 99 -5.696 -2.007 12.847 1.00 0.00 H new ATOM 0 HG SER A 99 -7.077 -3.387 14.099 1.00 0.00 H new