USER MOD reduce.3.24.130724 H: found=0, std=0, add=743, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 745 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 76 HIS : no HE2:sc= -0.321 K(o=-0.32,f=-2.1) USER MOD Set 1.2: A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 41 SER OG : rot 180:sc= 0.181 USER MOD Set 2.2: A 43 LYS NZ :NH3+ -178:sc= -1.52 (180deg=-1.87!) USER MOD Set 3.1: A 36 SER OG : rot -60:sc= -4.1! USER MOD Set 3.2: A 70 MET CE :methyl 160:sc= -4.53! (180deg=-5.24!) USER MOD Set 4.1: A 31 SER OG : rot 180:sc= 0 USER MOD Set 4.2: A 33 SER OG : rot 180:sc= 0.131 USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 161:sc= -3.21! USER MOD Single : A 11 HIS : no HE2:sc= -0.236 K(o=-0.24,f=-1.1) USER MOD Single : A 12 GLN : amide:sc= -0.261 K(o=-0.26,f=-1.7!) USER MOD Single : A 15 CYS SG : rot 180:sc= 0 USER MOD Single : A 18 ASN : amide:sc= -1.29! C(o=-1.3!,f=-1.2!) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 ASN : amide:sc= -0.362 K(o=-0.36,f=-1.5) USER MOD Single : A 49 LYS NZ :NH3+ 175:sc= -0.235 (180deg=-0.265) USER MOD Single : A 50 HIS : no HD1:sc= -0.275 X(o=-0.27,f=-0.42) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 GLN : amide:sc= 0.283 K(o=0.28,f=-6.4!) USER MOD Single : A 58 ASN : amide:sc= -0.575 X(o=-0.57,f=-0.36) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 CYS SG : rot 41:sc= 0.737 USER MOD Single : A 64 GLN : amide:sc= -0.0303 X(o=-0.03,f=0) USER MOD Single : A 68 HIS : no HD1:sc= -0.925 K(o=-0.93,f=-0.099) USER MOD Single : A 69 THR OG1 : rot 120:sc= -1.55! USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 THR OG1 : rot 63:sc= -3.67! USER MOD Single : A 85 SER OG : rot 180:sc= -0.243 USER MOD Single : A 87 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 GLN : amide:sc= -0.291 X(o=-0.29,f=-0.089) USER MOD ----------------------------------------------------------------- ATOM 42 N TRP A 3 9.912 5.597 8.747 1.00 0.00 N ATOM 43 CA TRP A 3 8.463 5.545 8.591 1.00 0.00 C ATOM 44 C TRP A 3 7.783 6.660 9.381 1.00 0.00 C ATOM 45 O TRP A 3 7.397 6.473 10.534 1.00 0.00 O ATOM 46 CB TRP A 3 7.923 4.183 9.036 1.00 0.00 C ATOM 47 CG TRP A 3 8.412 3.750 10.387 1.00 0.00 C ATOM 48 CD1 TRP A 3 9.106 4.501 11.292 1.00 0.00 C ATOM 49 CD2 TRP A 3 8.243 2.458 10.983 1.00 0.00 C ATOM 50 NE1 TRP A 3 9.378 3.756 12.414 1.00 0.00 N ATOM 51 CE2 TRP A 3 8.859 2.499 12.249 1.00 0.00 C ATOM 52 CE3 TRP A 3 7.631 1.271 10.571 1.00 0.00 C ATOM 53 CZ2 TRP A 3 8.880 1.399 13.103 1.00 0.00 C ATOM 54 CZ3 TRP A 3 7.651 0.181 11.420 1.00 0.00 C ATOM 55 CH2 TRP A 3 8.272 0.251 12.673 1.00 0.00 C ATOM 0 HA TRP A 3 8.237 5.687 7.534 1.00 0.00 H new ATOM 0 HB2 TRP A 3 6.834 4.221 9.049 1.00 0.00 H new ATOM 0 HB3 TRP A 3 8.207 3.432 8.299 1.00 0.00 H new ATOM 0 HD1 TRP A 3 9.398 5.530 11.147 1.00 0.00 H new ATOM 0 HE1 TRP A 3 9.884 4.085 13.236 1.00 0.00 H new ATOM 0 HE3 TRP A 3 7.151 1.207 9.606 1.00 0.00 H new ATOM 0 HZ2 TRP A 3 9.359 1.450 14.070 1.00 0.00 H new ATOM 0 HZ3 TRP A 3 7.180 -0.741 11.112 1.00 0.00 H new ATOM 0 HH2 TRP A 3 8.271 -0.619 13.313 1.00 0.00 H new ATOM 66 N TYR A 4 7.637 7.820 8.748 1.00 0.00 N ATOM 67 CA TYR A 4 6.999 8.965 9.386 1.00 0.00 C ATOM 68 C TYR A 4 5.487 8.771 9.448 1.00 0.00 C ATOM 69 O TYR A 4 4.838 8.541 8.428 1.00 0.00 O ATOM 70 CB TYR A 4 7.334 10.251 8.624 1.00 0.00 C ATOM 71 CG TYR A 4 6.616 11.476 9.146 1.00 0.00 C ATOM 72 CD1 TYR A 4 6.630 11.789 10.499 1.00 0.00 C ATOM 73 CD2 TYR A 4 5.922 12.318 8.285 1.00 0.00 C ATOM 74 CE1 TYR A 4 5.974 12.906 10.980 1.00 0.00 C ATOM 75 CE2 TYR A 4 5.264 13.437 8.758 1.00 0.00 C ATOM 76 CZ TYR A 4 5.293 13.726 10.105 1.00 0.00 C ATOM 77 OH TYR A 4 4.638 14.840 10.579 1.00 0.00 O ATOM 0 H TYR A 4 7.952 7.991 7.793 1.00 0.00 H new ATOM 0 HA TYR A 4 7.380 9.048 10.404 1.00 0.00 H new ATOM 0 HB2 TYR A 4 8.409 10.423 8.675 1.00 0.00 H new ATOM 0 HB3 TYR A 4 7.082 10.115 7.572 1.00 0.00 H new ATOM 0 HD1 TYR A 4 7.162 11.149 11.187 1.00 0.00 H new ATOM 0 HD2 TYR A 4 5.897 12.094 7.229 1.00 0.00 H new ATOM 0 HE1 TYR A 4 5.994 13.136 12.035 1.00 0.00 H new ATOM 0 HE2 TYR A 4 4.730 14.082 8.076 1.00 0.00 H new ATOM 0 HH TYR A 4 4.210 15.310 9.833 1.00 0.00 H new ATOM 129 N VAL A 8 4.132 6.279 4.719 1.00 0.00 N ATOM 130 CA VAL A 8 4.808 7.168 3.783 1.00 0.00 C ATOM 131 C VAL A 8 5.073 6.471 2.450 1.00 0.00 C ATOM 132 O VAL A 8 4.995 5.247 2.352 1.00 0.00 O ATOM 133 CB VAL A 8 6.129 7.685 4.366 1.00 0.00 C ATOM 134 CG1 VAL A 8 6.465 9.053 3.792 1.00 0.00 C ATOM 135 CG2 VAL A 8 6.036 7.739 5.880 1.00 0.00 C ATOM 0 HA VAL A 8 4.145 8.015 3.609 1.00 0.00 H new ATOM 0 HB VAL A 8 6.932 7.001 4.091 1.00 0.00 H new ATOM 0 HG11 VAL A 8 7.405 9.405 4.217 1.00 0.00 H new ATOM 0 HG12 VAL A 8 6.561 8.979 2.709 1.00 0.00 H new ATOM 0 HG13 VAL A 8 5.670 9.756 4.039 1.00 0.00 H new ATOM 0 HG21 VAL A 8 6.977 8.107 6.289 1.00 0.00 H new ATOM 0 HG22 VAL A 8 5.227 8.409 6.171 1.00 0.00 H new ATOM 0 HG23 VAL A 8 5.837 6.740 6.268 1.00 0.00 H new ATOM 145 N THR A 9 5.361 7.265 1.420 1.00 0.00 N ATOM 146 CA THR A 9 5.614 6.741 0.084 1.00 0.00 C ATOM 147 C THR A 9 5.907 7.901 -0.879 1.00 0.00 C ATOM 148 O THR A 9 5.953 9.054 -0.452 1.00 0.00 O ATOM 149 CB THR A 9 4.412 5.873 -0.352 1.00 0.00 C ATOM 150 OG1 THR A 9 4.658 4.516 -0.047 1.00 0.00 O ATOM 151 CG2 THR A 9 4.051 5.936 -1.823 1.00 0.00 C ATOM 0 H THR A 9 5.425 8.281 1.489 1.00 0.00 H new ATOM 0 HA THR A 9 6.495 6.100 0.075 1.00 0.00 H new ATOM 0 HB THR A 9 3.573 6.293 0.203 1.00 0.00 H new ATOM 0 HG1 THR A 9 3.810 4.024 -0.036 1.00 0.00 H new ATOM 0 HG21 THR A 9 3.195 5.289 -2.016 1.00 0.00 H new ATOM 0 HG22 THR A 9 3.799 6.962 -2.092 1.00 0.00 H new ATOM 0 HG23 THR A 9 4.899 5.602 -2.420 1.00 0.00 H new ATOM 159 N ARG A 10 6.135 7.595 -2.162 1.00 0.00 N ATOM 160 CA ARG A 10 6.453 8.605 -3.172 1.00 0.00 C ATOM 161 C ARG A 10 7.918 8.988 -3.045 1.00 0.00 C ATOM 162 O ARG A 10 8.691 8.867 -3.994 1.00 0.00 O ATOM 163 CB ARG A 10 5.533 9.824 -3.029 1.00 0.00 C ATOM 164 CG ARG A 10 6.103 11.132 -3.571 1.00 0.00 C ATOM 165 CD ARG A 10 5.787 11.311 -5.048 1.00 0.00 C ATOM 166 NE ARG A 10 6.997 11.459 -5.854 1.00 0.00 N ATOM 167 CZ ARG A 10 7.021 12.027 -7.058 1.00 0.00 C ATOM 168 NH1 ARG A 10 5.905 12.501 -7.600 1.00 0.00 N ATOM 169 NH2 ARG A 10 8.164 12.121 -7.724 1.00 0.00 N ATOM 0 H ARG A 10 6.104 6.643 -2.526 1.00 0.00 H new ATOM 0 HA ARG A 10 6.284 8.195 -4.168 1.00 0.00 H new ATOM 0 HB2 ARG A 10 4.595 9.614 -3.543 1.00 0.00 H new ATOM 0 HB3 ARG A 10 5.295 9.959 -1.974 1.00 0.00 H new ATOM 0 HG2 ARG A 10 5.693 11.970 -3.007 1.00 0.00 H new ATOM 0 HG3 ARG A 10 7.183 11.147 -3.425 1.00 0.00 H new ATOM 0 HD2 ARG A 10 5.218 10.452 -5.403 1.00 0.00 H new ATOM 0 HD3 ARG A 10 5.155 12.189 -5.179 1.00 0.00 H new ATOM 0 HE ARG A 10 7.875 11.107 -5.472 1.00 0.00 H new ATOM 0 HH11 ARG A 10 5.022 12.431 -7.094 1.00 0.00 H new ATOM 0 HH12 ARG A 10 5.931 12.935 -8.523 1.00 0.00 H new ATOM 0 HH21 ARG A 10 9.025 11.758 -7.314 1.00 0.00 H new ATOM 0 HH22 ARG A 10 8.183 12.556 -8.646 1.00 0.00 H new ATOM 183 N HIS A 11 8.295 9.412 -1.851 1.00 0.00 N ATOM 184 CA HIS A 11 9.674 9.769 -1.570 1.00 0.00 C ATOM 185 C HIS A 11 10.353 8.592 -0.886 1.00 0.00 C ATOM 186 O HIS A 11 11.435 8.155 -1.286 1.00 0.00 O ATOM 187 CB HIS A 11 9.742 11.011 -0.680 1.00 0.00 C ATOM 188 CG HIS A 11 11.136 11.510 -0.457 1.00 0.00 C ATOM 189 ND1 HIS A 11 12.237 10.979 -1.097 1.00 0.00 N ATOM 190 CD2 HIS A 11 11.608 12.497 0.341 1.00 0.00 C ATOM 191 CE1 HIS A 11 13.324 11.618 -0.702 1.00 0.00 C ATOM 192 NE2 HIS A 11 12.969 12.544 0.170 1.00 0.00 N ATOM 0 H HIS A 11 7.662 9.518 -1.058 1.00 0.00 H new ATOM 0 HA HIS A 11 10.186 10.000 -2.504 1.00 0.00 H new ATOM 0 HB2 HIS A 11 9.148 11.805 -1.132 1.00 0.00 H new ATOM 0 HB3 HIS A 11 9.288 10.783 0.284 1.00 0.00 H new ATOM 0 HD1 HIS A 11 12.215 10.213 -1.770 1.00 0.00 H new ATOM 0 HD2 HIS A 11 11.022 13.130 0.991 1.00 0.00 H new ATOM 0 HE1 HIS A 11 14.331 11.417 -1.036 1.00 0.00 H new ATOM 201 N GLN A 12 9.686 8.067 0.137 1.00 0.00 N ATOM 202 CA GLN A 12 10.195 6.924 0.873 1.00 0.00 C ATOM 203 C GLN A 12 9.951 5.636 0.094 1.00 0.00 C ATOM 204 O GLN A 12 10.769 4.718 0.134 1.00 0.00 O ATOM 205 CB GLN A 12 9.543 6.843 2.253 1.00 0.00 C ATOM 206 CG GLN A 12 9.656 8.133 3.048 1.00 0.00 C ATOM 207 CD GLN A 12 10.826 8.125 4.013 1.00 0.00 C ATOM 208 OE1 GLN A 12 11.241 7.072 4.495 1.00 0.00 O ATOM 209 NE2 GLN A 12 11.364 9.305 4.300 1.00 0.00 N ATOM 0 H GLN A 12 8.789 8.419 0.473 1.00 0.00 H new ATOM 0 HA GLN A 12 11.270 7.050 1.005 1.00 0.00 H new ATOM 0 HB2 GLN A 12 8.490 6.588 2.135 1.00 0.00 H new ATOM 0 HB3 GLN A 12 10.005 6.034 2.819 1.00 0.00 H new ATOM 0 HG2 GLN A 12 9.764 8.971 2.359 1.00 0.00 H new ATOM 0 HG3 GLN A 12 8.733 8.294 3.604 1.00 0.00 H new ATOM 0 HE21 GLN A 12 10.988 10.153 3.877 1.00 0.00 H new ATOM 0 HE22 GLN A 12 12.153 9.363 4.943 1.00 0.00 H new ATOM 218 N ALA A 13 8.824 5.569 -0.621 1.00 0.00 N ATOM 219 CA ALA A 13 8.503 4.381 -1.405 1.00 0.00 C ATOM 220 C ALA A 13 9.600 4.080 -2.424 1.00 0.00 C ATOM 221 O ALA A 13 9.748 2.945 -2.869 1.00 0.00 O ATOM 222 CB ALA A 13 7.158 4.537 -2.091 1.00 0.00 C ATOM 0 H ALA A 13 8.129 6.314 -0.671 1.00 0.00 H new ATOM 0 HA ALA A 13 8.442 3.535 -0.721 1.00 0.00 H new ATOM 0 HB1 ALA A 13 6.939 3.640 -2.670 1.00 0.00 H new ATOM 0 HB2 ALA A 13 6.381 4.683 -1.340 1.00 0.00 H new ATOM 0 HB3 ALA A 13 7.187 5.400 -2.756 1.00 0.00 H new ATOM 228 N GLU A 14 10.390 5.091 -2.767 1.00 0.00 N ATOM 229 CA GLU A 14 11.493 4.901 -3.703 1.00 0.00 C ATOM 230 C GLU A 14 12.740 4.589 -2.913 1.00 0.00 C ATOM 231 O GLU A 14 13.480 3.660 -3.218 1.00 0.00 O ATOM 232 CB GLU A 14 11.746 6.132 -4.567 1.00 0.00 C ATOM 233 CG GLU A 14 10.554 7.049 -4.699 1.00 0.00 C ATOM 234 CD GLU A 14 9.778 6.826 -5.982 1.00 0.00 C ATOM 235 OE1 GLU A 14 10.324 7.126 -7.065 1.00 0.00 O ATOM 236 OE2 GLU A 14 8.625 6.353 -5.905 1.00 0.00 O ATOM 0 H GLU A 14 10.289 6.043 -2.415 1.00 0.00 H new ATOM 0 HA GLU A 14 11.228 4.083 -4.373 1.00 0.00 H new ATOM 0 HB2 GLU A 14 12.578 6.695 -4.144 1.00 0.00 H new ATOM 0 HB3 GLU A 14 12.053 5.808 -5.561 1.00 0.00 H new ATOM 0 HG2 GLU A 14 9.890 6.898 -3.848 1.00 0.00 H new ATOM 0 HG3 GLU A 14 10.892 8.084 -4.660 1.00 0.00 H new ATOM 243 N CYS A 15 12.951 5.377 -1.874 1.00 0.00 N ATOM 244 CA CYS A 15 14.101 5.189 -1.004 1.00 0.00 C ATOM 245 C CYS A 15 13.938 3.936 -0.139 1.00 0.00 C ATOM 246 O CYS A 15 14.820 3.612 0.657 1.00 0.00 O ATOM 247 CB CYS A 15 14.299 6.417 -0.114 1.00 0.00 C ATOM 248 SG CYS A 15 15.452 7.637 -0.786 1.00 0.00 S ATOM 0 H CYS A 15 12.343 6.153 -1.611 1.00 0.00 H new ATOM 0 HA CYS A 15 14.982 5.058 -1.633 1.00 0.00 H new ATOM 0 HB2 CYS A 15 13.333 6.896 0.047 1.00 0.00 H new ATOM 0 HB3 CYS A 15 14.659 6.091 0.862 1.00 0.00 H new ATOM 0 HG CYS A 15 15.551 8.639 0.036 1.00 0.00 H new ATOM 254 N ALA A 16 12.809 3.233 -0.286 1.00 0.00 N ATOM 255 CA ALA A 16 12.562 2.030 0.501 1.00 0.00 C ATOM 256 C ALA A 16 12.524 0.772 -0.363 1.00 0.00 C ATOM 257 O ALA A 16 12.959 -0.295 0.070 1.00 0.00 O ATOM 258 CB ALA A 16 11.268 2.176 1.288 1.00 0.00 C ATOM 0 H ALA A 16 12.062 3.477 -0.937 1.00 0.00 H new ATOM 0 HA ALA A 16 13.395 1.916 1.195 1.00 0.00 H new ATOM 0 HB1 ALA A 16 11.093 1.272 1.872 1.00 0.00 H new ATOM 0 HB2 ALA A 16 11.344 3.032 1.958 1.00 0.00 H new ATOM 0 HB3 ALA A 16 10.438 2.328 0.598 1.00 0.00 H new ATOM 264 N LEU A 17 12.028 0.899 -1.587 1.00 0.00 N ATOM 265 CA LEU A 17 11.973 -0.241 -2.502 1.00 0.00 C ATOM 266 C LEU A 17 12.730 0.076 -3.786 1.00 0.00 C ATOM 267 O LEU A 17 12.770 -0.734 -4.712 1.00 0.00 O ATOM 268 CB LEU A 17 10.530 -0.627 -2.849 1.00 0.00 C ATOM 269 CG LEU A 17 9.456 0.048 -2.008 1.00 0.00 C ATOM 270 CD1 LEU A 17 8.066 -0.378 -2.456 1.00 0.00 C ATOM 271 CD2 LEU A 17 9.673 -0.263 -0.538 1.00 0.00 C ATOM 0 H LEU A 17 11.660 1.770 -1.970 1.00 0.00 H new ATOM 0 HA LEU A 17 12.439 -1.085 -1.993 1.00 0.00 H new ATOM 0 HB2 LEU A 17 10.350 -0.389 -3.897 1.00 0.00 H new ATOM 0 HB3 LEU A 17 10.425 -1.707 -2.744 1.00 0.00 H new ATOM 0 HG LEU A 17 9.532 1.126 -2.149 1.00 0.00 H new ATOM 0 HD11 LEU A 17 7.317 0.118 -1.839 1.00 0.00 H new ATOM 0 HD12 LEU A 17 7.919 -0.100 -3.500 1.00 0.00 H new ATOM 0 HD13 LEU A 17 7.965 -1.458 -2.351 1.00 0.00 H new ATOM 0 HD21 LEU A 17 8.899 0.225 0.055 1.00 0.00 H new ATOM 0 HD22 LEU A 17 9.624 -1.341 -0.383 1.00 0.00 H new ATOM 0 HD23 LEU A 17 10.652 0.104 -0.229 1.00 0.00 H new ATOM 283 N ASN A 18 13.323 1.269 -3.838 1.00 0.00 N ATOM 284 CA ASN A 18 14.070 1.704 -5.012 1.00 0.00 C ATOM 285 C ASN A 18 13.231 1.579 -6.280 1.00 0.00 C ATOM 286 O ASN A 18 13.753 1.598 -7.395 1.00 0.00 O ATOM 287 CB ASN A 18 15.325 0.865 -5.114 1.00 0.00 C ATOM 288 CG ASN A 18 16.165 1.180 -6.337 1.00 0.00 C ATOM 289 OD1 ASN A 18 16.673 0.279 -7.004 1.00 0.00 O ATOM 290 ND2 ASN A 18 16.315 2.465 -6.637 1.00 0.00 N ATOM 0 H ASN A 18 13.299 1.950 -3.079 1.00 0.00 H new ATOM 0 HA ASN A 18 14.332 2.757 -4.907 1.00 0.00 H new ATOM 0 HB2 ASN A 18 15.928 1.018 -4.219 1.00 0.00 H new ATOM 0 HB3 ASN A 18 15.047 -0.189 -5.135 1.00 0.00 H new ATOM 0 HD21 ASN A 18 16.869 2.738 -7.448 1.00 0.00 H new ATOM 0 HD22 ASN A 18 15.876 3.179 -6.056 1.00 0.00 H new ATOM 297 N GLU A 19 11.925 1.455 -6.091 1.00 0.00 N ATOM 298 CA GLU A 19 10.982 1.325 -7.199 1.00 0.00 C ATOM 299 C GLU A 19 11.520 0.379 -8.268 1.00 0.00 C ATOM 300 O GLU A 19 11.326 0.600 -9.463 1.00 0.00 O ATOM 301 CB GLU A 19 10.689 2.696 -7.811 1.00 0.00 C ATOM 302 CG GLU A 19 11.897 3.344 -8.469 1.00 0.00 C ATOM 303 CD GLU A 19 11.507 4.409 -9.475 1.00 0.00 C ATOM 304 OE1 GLU A 19 10.441 4.265 -10.109 1.00 0.00 O ATOM 305 OE2 GLU A 19 12.268 5.388 -9.629 1.00 0.00 O ATOM 0 H GLU A 19 11.488 1.441 -5.170 1.00 0.00 H new ATOM 0 HA GLU A 19 10.056 0.906 -6.806 1.00 0.00 H new ATOM 0 HB2 GLU A 19 9.896 2.591 -8.551 1.00 0.00 H new ATOM 0 HB3 GLU A 19 10.312 3.359 -7.032 1.00 0.00 H new ATOM 0 HG2 GLU A 19 12.530 3.788 -7.701 1.00 0.00 H new ATOM 0 HG3 GLU A 19 12.490 2.577 -8.967 1.00 0.00 H new ATOM 312 N ARG A 20 12.205 -0.673 -7.828 1.00 0.00 N ATOM 313 CA ARG A 20 12.778 -1.644 -8.751 1.00 0.00 C ATOM 314 C ARG A 20 12.304 -3.063 -8.446 1.00 0.00 C ATOM 315 O ARG A 20 12.605 -3.994 -9.194 1.00 0.00 O ATOM 316 CB ARG A 20 14.305 -1.584 -8.698 1.00 0.00 C ATOM 317 CG ARG A 20 14.901 -0.482 -9.560 1.00 0.00 C ATOM 318 CD ARG A 20 16.289 -0.851 -10.060 1.00 0.00 C ATOM 319 NE ARG A 20 16.261 -2.008 -10.953 1.00 0.00 N ATOM 320 CZ ARG A 20 16.512 -3.258 -10.565 1.00 0.00 C ATOM 321 NH1 ARG A 20 16.797 -3.526 -9.296 1.00 0.00 N ATOM 322 NH2 ARG A 20 16.470 -4.246 -11.448 1.00 0.00 N ATOM 0 H ARG A 20 12.375 -0.873 -6.842 1.00 0.00 H new ATOM 0 HA ARG A 20 12.437 -1.386 -9.754 1.00 0.00 H new ATOM 0 HB2 ARG A 20 14.619 -1.435 -7.665 1.00 0.00 H new ATOM 0 HB3 ARG A 20 14.709 -2.544 -9.019 1.00 0.00 H new ATOM 0 HG2 ARG A 20 14.246 -0.290 -10.410 1.00 0.00 H new ATOM 0 HG3 ARG A 20 14.955 0.442 -8.984 1.00 0.00 H new ATOM 0 HD2 ARG A 20 16.724 0.000 -10.584 1.00 0.00 H new ATOM 0 HD3 ARG A 20 16.935 -1.066 -9.209 1.00 0.00 H new ATOM 0 HE ARG A 20 16.035 -1.849 -11.935 1.00 0.00 H new ATOM 0 HH11 ARG A 20 16.825 -2.772 -8.609 1.00 0.00 H new ATOM 0 HH12 ARG A 20 16.988 -4.486 -9.008 1.00 0.00 H new ATOM 0 HH21 ARG A 20 16.246 -4.049 -12.423 1.00 0.00 H new ATOM 0 HH22 ARG A 20 16.662 -5.203 -11.152 1.00 0.00 H new ATOM 336 N GLY A 21 11.564 -3.234 -7.351 1.00 0.00 N ATOM 337 CA GLY A 21 11.078 -4.556 -7.001 1.00 0.00 C ATOM 338 C GLY A 21 11.995 -5.272 -6.028 1.00 0.00 C ATOM 339 O GLY A 21 12.832 -6.078 -6.434 1.00 0.00 O ATOM 0 H GLY A 21 11.296 -2.489 -6.708 1.00 0.00 H new ATOM 0 HA2 GLY A 21 10.084 -4.470 -6.562 1.00 0.00 H new ATOM 0 HA3 GLY A 21 10.976 -5.154 -7.907 1.00 0.00 H new ATOM 343 N VAL A 22 11.845 -4.972 -4.742 1.00 0.00 N ATOM 344 CA VAL A 22 12.673 -5.587 -3.712 1.00 0.00 C ATOM 345 C VAL A 22 11.851 -6.515 -2.823 1.00 0.00 C ATOM 346 O VAL A 22 10.887 -6.086 -2.191 1.00 0.00 O ATOM 347 CB VAL A 22 13.351 -4.521 -2.826 1.00 0.00 C ATOM 348 CG1 VAL A 22 14.697 -5.019 -2.325 1.00 0.00 C ATOM 349 CG2 VAL A 22 13.508 -3.208 -3.579 1.00 0.00 C ATOM 0 H VAL A 22 11.157 -4.307 -4.389 1.00 0.00 H new ATOM 0 HA VAL A 22 13.439 -6.166 -4.229 1.00 0.00 H new ATOM 0 HB VAL A 22 12.710 -4.339 -1.963 1.00 0.00 H new ATOM 0 HG11 VAL A 22 15.159 -4.253 -1.702 1.00 0.00 H new ATOM 0 HG12 VAL A 22 14.554 -5.926 -1.738 1.00 0.00 H new ATOM 0 HG13 VAL A 22 15.344 -5.235 -3.175 1.00 0.00 H new ATOM 0 HG21 VAL A 22 13.988 -2.473 -2.933 1.00 0.00 H new ATOM 0 HG22 VAL A 22 14.122 -3.368 -4.465 1.00 0.00 H new ATOM 0 HG23 VAL A 22 12.526 -2.841 -3.879 1.00 0.00 H new ATOM 359 N GLU A 23 12.253 -7.787 -2.776 1.00 0.00 N ATOM 360 CA GLU A 23 11.576 -8.801 -1.961 1.00 0.00 C ATOM 361 C GLU A 23 10.055 -8.596 -1.929 1.00 0.00 C ATOM 362 O GLU A 23 9.336 -9.111 -2.786 1.00 0.00 O ATOM 363 CB GLU A 23 12.150 -8.804 -0.539 1.00 0.00 C ATOM 364 CG GLU A 23 11.429 -9.747 0.411 1.00 0.00 C ATOM 365 CD GLU A 23 12.373 -10.437 1.376 1.00 0.00 C ATOM 366 OE1 GLU A 23 13.127 -9.730 2.077 1.00 0.00 O ATOM 367 OE2 GLU A 23 12.358 -11.684 1.431 1.00 0.00 O ATOM 0 H GLU A 23 13.053 -8.143 -3.299 1.00 0.00 H new ATOM 0 HA GLU A 23 11.759 -9.771 -2.423 1.00 0.00 H new ATOM 0 HB2 GLU A 23 13.203 -9.082 -0.583 1.00 0.00 H new ATOM 0 HB3 GLU A 23 12.104 -7.792 -0.136 1.00 0.00 H new ATOM 0 HG2 GLU A 23 10.683 -9.188 0.976 1.00 0.00 H new ATOM 0 HG3 GLU A 23 10.893 -10.499 -0.167 1.00 0.00 H new ATOM 374 N GLY A 24 9.573 -7.846 -0.938 1.00 0.00 N ATOM 375 CA GLY A 24 8.148 -7.595 -0.820 1.00 0.00 C ATOM 376 C GLY A 24 7.843 -6.490 0.170 1.00 0.00 C ATOM 377 O GLY A 24 7.334 -6.751 1.259 1.00 0.00 O ATOM 0 H GLY A 24 10.146 -7.409 -0.216 1.00 0.00 H new ATOM 0 HA2 GLY A 24 7.746 -7.327 -1.797 1.00 0.00 H new ATOM 0 HA3 GLY A 24 7.644 -8.510 -0.508 1.00 0.00 H new ATOM 381 N ASP A 25 8.164 -5.255 -0.200 1.00 0.00 N ATOM 382 CA ASP A 25 7.927 -4.116 0.677 1.00 0.00 C ATOM 383 C ASP A 25 6.721 -3.297 0.225 1.00 0.00 C ATOM 384 O ASP A 25 6.574 -2.988 -0.956 1.00 0.00 O ATOM 385 CB ASP A 25 9.170 -3.228 0.726 1.00 0.00 C ATOM 386 CG ASP A 25 9.122 -2.222 1.859 1.00 0.00 C ATOM 387 OD1 ASP A 25 8.138 -1.456 1.933 1.00 0.00 O ATOM 388 OD2 ASP A 25 10.069 -2.199 2.674 1.00 0.00 O ATOM 0 H ASP A 25 8.587 -5.018 -1.097 1.00 0.00 H new ATOM 0 HA ASP A 25 7.713 -4.502 1.674 1.00 0.00 H new ATOM 0 HB2 ASP A 25 10.055 -3.854 0.838 1.00 0.00 H new ATOM 0 HB3 ASP A 25 9.272 -2.699 -0.221 1.00 0.00 H new ATOM 393 N PHE A 26 5.874 -2.934 1.184 1.00 0.00 N ATOM 394 CA PHE A 26 4.684 -2.132 0.912 1.00 0.00 C ATOM 395 C PHE A 26 4.598 -0.988 1.900 1.00 0.00 C ATOM 396 O PHE A 26 4.842 -1.163 3.094 1.00 0.00 O ATOM 397 CB PHE A 26 3.409 -2.968 1.028 1.00 0.00 C ATOM 398 CG PHE A 26 2.395 -2.754 -0.076 1.00 0.00 C ATOM 399 CD1 PHE A 26 2.314 -1.547 -0.748 1.00 0.00 C ATOM 400 CD2 PHE A 26 1.514 -3.769 -0.435 1.00 0.00 C ATOM 401 CE1 PHE A 26 1.381 -1.352 -1.752 1.00 0.00 C ATOM 402 CE2 PHE A 26 0.580 -3.579 -1.438 1.00 0.00 C ATOM 403 CZ PHE A 26 0.513 -2.369 -2.097 1.00 0.00 C ATOM 0 H PHE A 26 5.991 -3.185 2.166 1.00 0.00 H new ATOM 0 HA PHE A 26 4.769 -1.753 -0.107 1.00 0.00 H new ATOM 0 HB2 PHE A 26 3.685 -4.022 1.046 1.00 0.00 H new ATOM 0 HB3 PHE A 26 2.934 -2.746 1.984 1.00 0.00 H new ATOM 0 HD1 PHE A 26 2.988 -0.745 -0.485 1.00 0.00 H new ATOM 0 HD2 PHE A 26 1.560 -4.719 0.077 1.00 0.00 H new ATOM 0 HE1 PHE A 26 1.332 -0.403 -2.266 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -0.096 -4.378 -1.705 1.00 0.00 H new ATOM 0 HZ PHE A 26 -0.216 -2.218 -2.880 1.00 0.00 H new ATOM 413 N LEU A 27 4.233 0.172 1.404 1.00 0.00 N ATOM 414 CA LEU A 27 4.096 1.340 2.261 1.00 0.00 C ATOM 415 C LEU A 27 3.034 2.288 1.728 1.00 0.00 C ATOM 416 O LEU A 27 3.130 2.775 0.602 1.00 0.00 O ATOM 417 CB LEU A 27 5.436 2.066 2.410 1.00 0.00 C ATOM 418 CG LEU A 27 6.182 2.343 1.106 1.00 0.00 C ATOM 419 CD1 LEU A 27 7.028 3.602 1.238 1.00 0.00 C ATOM 420 CD2 LEU A 27 7.049 1.152 0.723 1.00 0.00 C ATOM 0 H LEU A 27 4.026 0.337 0.419 1.00 0.00 H new ATOM 0 HA LEU A 27 3.780 0.995 3.245 1.00 0.00 H new ATOM 0 HB2 LEU A 27 5.261 3.015 2.917 1.00 0.00 H new ATOM 0 HB3 LEU A 27 6.081 1.473 3.058 1.00 0.00 H new ATOM 0 HG LEU A 27 5.450 2.500 0.314 1.00 0.00 H new ATOM 0 HD11 LEU A 27 7.554 3.787 0.301 1.00 0.00 H new ATOM 0 HD12 LEU A 27 6.384 4.451 1.466 1.00 0.00 H new ATOM 0 HD13 LEU A 27 7.753 3.471 2.041 1.00 0.00 H new ATOM 0 HD21 LEU A 27 7.573 1.368 -0.208 1.00 0.00 H new ATOM 0 HD22 LEU A 27 7.776 0.962 1.513 1.00 0.00 H new ATOM 0 HD23 LEU A 27 6.420 0.272 0.590 1.00 0.00 H new ATOM 432 N ILE A 28 2.023 2.545 2.554 1.00 0.00 N ATOM 433 CA ILE A 28 0.937 3.441 2.183 1.00 0.00 C ATOM 434 C ILE A 28 1.096 4.764 2.921 1.00 0.00 C ATOM 435 O ILE A 28 1.529 4.787 4.072 1.00 0.00 O ATOM 436 CB ILE A 28 -0.444 2.821 2.491 1.00 0.00 C ATOM 437 CG1 ILE A 28 -1.576 3.730 2.021 1.00 0.00 C ATOM 438 CG2 ILE A 28 -0.590 2.519 3.961 1.00 0.00 C ATOM 439 CD1 ILE A 28 -2.940 3.097 2.188 1.00 0.00 C ATOM 0 H ILE A 28 1.935 2.143 3.487 1.00 0.00 H new ATOM 0 HA ILE A 28 0.987 3.611 1.107 1.00 0.00 H new ATOM 0 HB ILE A 28 -0.509 1.883 1.940 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -1.543 4.665 2.581 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -1.423 3.982 0.972 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -1.572 2.084 4.147 1.00 0.00 H new ATOM 0 HG22 ILE A 28 0.183 1.814 4.266 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -0.487 3.441 4.534 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -3.707 3.788 1.838 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -2.988 2.177 1.606 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -3.109 2.870 3.241 1.00 0.00 H new ATOM 451 N ARG A 29 0.790 5.866 2.249 1.00 0.00 N ATOM 452 CA ARG A 29 0.952 7.183 2.855 1.00 0.00 C ATOM 453 C ARG A 29 -0.322 8.010 2.824 1.00 0.00 C ATOM 454 O ARG A 29 -1.204 7.797 1.992 1.00 0.00 O ATOM 455 CB ARG A 29 2.071 7.946 2.151 1.00 0.00 C ATOM 456 CG ARG A 29 1.914 8.031 0.643 1.00 0.00 C ATOM 457 CD ARG A 29 3.140 8.668 -0.003 1.00 0.00 C ATOM 458 NE ARG A 29 2.809 9.900 -0.716 1.00 0.00 N ATOM 459 CZ ARG A 29 2.714 11.094 -0.134 1.00 0.00 C ATOM 460 NH1 ARG A 29 2.918 11.225 1.171 1.00 0.00 N ATOM 461 NH2 ARG A 29 2.412 12.162 -0.860 1.00 0.00 N ATOM 0 H ARG A 29 0.432 5.876 1.294 1.00 0.00 H new ATOM 0 HA ARG A 29 1.205 7.018 3.902 1.00 0.00 H new ATOM 0 HB2 ARG A 29 2.118 8.956 2.558 1.00 0.00 H new ATOM 0 HB3 ARG A 29 3.022 7.466 2.379 1.00 0.00 H new ATOM 0 HG2 ARG A 29 1.761 7.032 0.234 1.00 0.00 H new ATOM 0 HG3 ARG A 29 1.026 8.615 0.399 1.00 0.00 H new ATOM 0 HD2 ARG A 29 3.883 8.883 0.765 1.00 0.00 H new ATOM 0 HD3 ARG A 29 3.593 7.959 -0.696 1.00 0.00 H new ATOM 0 HE ARG A 29 2.641 9.842 -1.720 1.00 0.00 H new ATOM 0 HH11 ARG A 29 3.149 10.408 1.736 1.00 0.00 H new ATOM 0 HH12 ARG A 29 2.843 12.143 1.609 1.00 0.00 H new ATOM 0 HH21 ARG A 29 2.253 12.068 -1.863 1.00 0.00 H new ATOM 0 HH22 ARG A 29 2.339 13.077 -0.415 1.00 0.00 H new ATOM 475 N ASP A 30 -0.393 8.971 3.740 1.00 0.00 N ATOM 476 CA ASP A 30 -1.540 9.866 3.834 1.00 0.00 C ATOM 477 C ASP A 30 -1.281 11.134 3.026 1.00 0.00 C ATOM 478 O ASP A 30 -0.303 11.842 3.266 1.00 0.00 O ATOM 479 CB ASP A 30 -1.822 10.231 5.295 1.00 0.00 C ATOM 480 CG ASP A 30 -1.674 9.047 6.233 1.00 0.00 C ATOM 481 OD1 ASP A 30 -0.587 8.435 6.248 1.00 0.00 O ATOM 482 OD2 ASP A 30 -2.645 8.736 6.953 1.00 0.00 O ATOM 0 H ASP A 30 0.335 9.150 4.431 1.00 0.00 H new ATOM 0 HA ASP A 30 -2.412 9.352 3.428 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -1.140 11.023 5.606 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -2.833 10.630 5.377 1.00 0.00 H new ATOM 487 N SER A 31 -2.153 11.414 2.064 1.00 0.00 N ATOM 488 CA SER A 31 -2.000 12.595 1.221 1.00 0.00 C ATOM 489 C SER A 31 -2.762 13.786 1.793 1.00 0.00 C ATOM 490 O SER A 31 -3.960 13.699 2.063 1.00 0.00 O ATOM 491 CB SER A 31 -2.483 12.298 -0.201 1.00 0.00 C ATOM 492 OG SER A 31 -1.509 12.676 -1.158 1.00 0.00 O ATOM 0 H SER A 31 -2.970 10.842 1.849 1.00 0.00 H new ATOM 0 HA SER A 31 -0.941 12.851 1.193 1.00 0.00 H new ATOM 0 HB2 SER A 31 -2.702 11.235 -0.300 1.00 0.00 H new ATOM 0 HB3 SER A 31 -3.413 12.834 -0.392 1.00 0.00 H new ATOM 0 HG SER A 31 -1.840 12.475 -2.058 1.00 0.00 H new ATOM 498 N GLU A 32 -2.057 14.900 1.968 1.00 0.00 N ATOM 499 CA GLU A 32 -2.664 16.114 2.502 1.00 0.00 C ATOM 500 C GLU A 32 -3.311 16.928 1.386 1.00 0.00 C ATOM 501 O GLU A 32 -4.322 17.598 1.600 1.00 0.00 O ATOM 502 CB GLU A 32 -1.616 16.959 3.230 1.00 0.00 C ATOM 503 CG GLU A 32 -2.204 18.137 3.991 1.00 0.00 C ATOM 504 CD GLU A 32 -2.750 17.739 5.349 1.00 0.00 C ATOM 505 OE1 GLU A 32 -3.713 16.945 5.392 1.00 0.00 O ATOM 506 OE2 GLU A 32 -2.216 18.224 6.369 1.00 0.00 O ATOM 0 H GLU A 32 -1.065 14.987 1.748 1.00 0.00 H new ATOM 0 HA GLU A 32 -3.438 15.824 3.213 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -1.070 16.324 3.927 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -0.893 17.331 2.504 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -1.437 18.900 4.121 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -3.002 18.585 3.399 1.00 0.00 H new ATOM 513 N SER A 33 -2.726 16.862 0.193 1.00 0.00 N ATOM 514 CA SER A 33 -3.252 17.591 -0.958 1.00 0.00 C ATOM 515 C SER A 33 -4.700 17.195 -1.228 1.00 0.00 C ATOM 516 O SER A 33 -5.580 18.050 -1.327 1.00 0.00 O ATOM 517 CB SER A 33 -2.394 17.323 -2.197 1.00 0.00 C ATOM 518 OG SER A 33 -1.652 16.124 -2.055 1.00 0.00 O ATOM 0 H SER A 33 -1.889 16.312 -0.002 1.00 0.00 H new ATOM 0 HA SER A 33 -3.219 18.657 -0.732 1.00 0.00 H new ATOM 0 HB2 SER A 33 -3.033 17.257 -3.078 1.00 0.00 H new ATOM 0 HB3 SER A 33 -1.713 18.159 -2.359 1.00 0.00 H new ATOM 0 HG SER A 33 -1.114 15.975 -2.860 1.00 0.00 H new ATOM 524 N SER A 34 -4.941 15.892 -1.336 1.00 0.00 N ATOM 525 CA SER A 34 -6.284 15.382 -1.583 1.00 0.00 C ATOM 526 C SER A 34 -7.025 15.172 -0.267 1.00 0.00 C ATOM 527 O SER A 34 -6.408 15.091 0.795 1.00 0.00 O ATOM 528 CB SER A 34 -6.224 14.066 -2.360 1.00 0.00 C ATOM 529 OG SER A 34 -6.117 14.300 -3.754 1.00 0.00 O ATOM 0 H SER A 34 -4.224 15.171 -1.256 1.00 0.00 H new ATOM 0 HA SER A 34 -6.823 16.118 -2.179 1.00 0.00 H new ATOM 0 HB2 SER A 34 -5.371 13.478 -2.020 1.00 0.00 H new ATOM 0 HB3 SER A 34 -7.118 13.478 -2.155 1.00 0.00 H new ATOM 0 HG SER A 34 -6.079 13.443 -4.228 1.00 0.00 H new ATOM 535 N PRO A 35 -8.365 15.087 -0.314 1.00 0.00 N ATOM 536 CA PRO A 35 -9.179 14.894 0.888 1.00 0.00 C ATOM 537 C PRO A 35 -8.905 13.564 1.580 1.00 0.00 C ATOM 538 O PRO A 35 -8.219 13.519 2.601 1.00 0.00 O ATOM 539 CB PRO A 35 -10.622 14.956 0.373 1.00 0.00 C ATOM 540 CG PRO A 35 -10.531 14.679 -1.090 1.00 0.00 C ATOM 541 CD PRO A 35 -9.187 15.183 -1.534 1.00 0.00 C ATOM 0 HA PRO A 35 -8.958 15.648 1.644 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -11.250 14.220 0.874 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -11.065 15.934 0.561 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -10.631 13.612 -1.290 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -11.333 15.182 -1.631 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -8.778 14.577 -2.343 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -9.243 16.208 -1.901 1.00 0.00 H new ATOM 549 N SER A 36 -9.440 12.485 1.027 1.00 0.00 N ATOM 550 CA SER A 36 -9.245 11.163 1.605 1.00 0.00 C ATOM 551 C SER A 36 -8.453 10.275 0.658 1.00 0.00 C ATOM 552 O SER A 36 -8.819 9.126 0.411 1.00 0.00 O ATOM 553 CB SER A 36 -10.592 10.514 1.925 1.00 0.00 C ATOM 554 OG SER A 36 -10.420 9.166 2.324 1.00 0.00 O ATOM 0 H SER A 36 -10.011 12.498 0.182 1.00 0.00 H new ATOM 0 HA SER A 36 -8.681 11.278 2.531 1.00 0.00 H new ATOM 0 HB2 SER A 36 -11.090 11.072 2.718 1.00 0.00 H new ATOM 0 HB3 SER A 36 -11.239 10.559 1.049 1.00 0.00 H new ATOM 0 HG SER A 36 -9.996 8.662 1.598 1.00 0.00 H new ATOM 560 N ASP A 37 -7.366 10.817 0.125 1.00 0.00 N ATOM 561 CA ASP A 37 -6.529 10.064 -0.803 1.00 0.00 C ATOM 562 C ASP A 37 -5.306 9.479 -0.102 1.00 0.00 C ATOM 563 O ASP A 37 -4.670 10.136 0.721 1.00 0.00 O ATOM 564 CB ASP A 37 -6.084 10.954 -1.963 1.00 0.00 C ATOM 565 CG ASP A 37 -5.674 10.149 -3.181 1.00 0.00 C ATOM 566 OD1 ASP A 37 -6.083 8.974 -3.282 1.00 0.00 O ATOM 567 OD2 ASP A 37 -4.943 10.695 -4.035 1.00 0.00 O ATOM 0 H ASP A 37 -7.044 11.766 0.316 1.00 0.00 H new ATOM 0 HA ASP A 37 -7.127 9.239 -1.191 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -6.896 11.629 -2.233 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -5.247 11.575 -1.642 1.00 0.00 H new ATOM 572 N PHE A 38 -4.983 8.238 -0.451 1.00 0.00 N ATOM 573 CA PHE A 38 -3.835 7.544 0.119 1.00 0.00 C ATOM 574 C PHE A 38 -3.040 6.861 -0.988 1.00 0.00 C ATOM 575 O PHE A 38 -3.590 6.524 -2.035 1.00 0.00 O ATOM 576 CB PHE A 38 -4.286 6.532 1.171 1.00 0.00 C ATOM 577 CG PHE A 38 -4.395 7.126 2.545 1.00 0.00 C ATOM 578 CD1 PHE A 38 -5.354 8.087 2.821 1.00 0.00 C ATOM 579 CD2 PHE A 38 -3.537 6.730 3.558 1.00 0.00 C ATOM 580 CE1 PHE A 38 -5.455 8.643 4.082 1.00 0.00 C ATOM 581 CE2 PHE A 38 -3.633 7.282 4.821 1.00 0.00 C ATOM 582 CZ PHE A 38 -4.594 8.240 5.084 1.00 0.00 C ATOM 0 H PHE A 38 -5.506 7.688 -1.133 1.00 0.00 H new ATOM 0 HA PHE A 38 -3.190 8.272 0.611 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -5.253 6.121 0.881 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -3.580 5.702 1.195 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -6.030 8.405 2.042 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -2.785 5.981 3.358 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -6.206 9.392 4.284 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -2.958 6.965 5.602 1.00 0.00 H new ATOM 0 HZ PHE A 38 -4.671 8.672 6.071 1.00 0.00 H new ATOM 592 N SER A 39 -1.744 6.678 -0.767 1.00 0.00 N ATOM 593 CA SER A 39 -0.889 6.055 -1.771 1.00 0.00 C ATOM 594 C SER A 39 -0.031 4.954 -1.173 1.00 0.00 C ATOM 595 O SER A 39 0.653 5.172 -0.178 1.00 0.00 O ATOM 596 CB SER A 39 0.005 7.108 -2.428 1.00 0.00 C ATOM 597 OG SER A 39 -0.604 8.387 -2.396 1.00 0.00 O ATOM 0 H SER A 39 -1.264 6.949 0.091 1.00 0.00 H new ATOM 0 HA SER A 39 -1.538 5.605 -2.523 1.00 0.00 H new ATOM 0 HB2 SER A 39 0.965 7.146 -1.914 1.00 0.00 H new ATOM 0 HB3 SER A 39 0.208 6.824 -3.461 1.00 0.00 H new ATOM 0 HG SER A 39 -0.012 9.042 -2.821 1.00 0.00 H new ATOM 603 N VAL A 40 -0.041 3.783 -1.795 1.00 0.00 N ATOM 604 CA VAL A 40 0.771 2.677 -1.312 1.00 0.00 C ATOM 605 C VAL A 40 1.431 1.937 -2.467 1.00 0.00 C ATOM 606 O VAL A 40 0.780 1.585 -3.448 1.00 0.00 O ATOM 607 CB VAL A 40 -0.043 1.701 -0.436 1.00 0.00 C ATOM 608 CG1 VAL A 40 -1.051 0.915 -1.250 1.00 0.00 C ATOM 609 CG2 VAL A 40 0.881 0.761 0.321 1.00 0.00 C ATOM 0 H VAL A 40 -0.596 3.576 -2.626 1.00 0.00 H new ATOM 0 HA VAL A 40 1.552 3.106 -0.685 1.00 0.00 H new ATOM 0 HB VAL A 40 -0.601 2.300 0.284 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -1.602 0.241 -0.594 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -1.747 1.603 -1.730 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -0.530 0.335 -2.012 1.00 0.00 H new ATOM 0 HG21 VAL A 40 0.287 0.081 0.932 1.00 0.00 H new ATOM 0 HG22 VAL A 40 1.475 0.185 -0.389 1.00 0.00 H new ATOM 0 HG23 VAL A 40 1.544 1.341 0.963 1.00 0.00 H new ATOM 619 N SER A 41 2.738 1.720 -2.347 1.00 0.00 N ATOM 620 CA SER A 41 3.501 1.037 -3.389 1.00 0.00 C ATOM 621 C SER A 41 4.088 -0.275 -2.879 1.00 0.00 C ATOM 622 O SER A 41 4.604 -0.342 -1.759 1.00 0.00 O ATOM 623 CB SER A 41 4.620 1.943 -3.904 1.00 0.00 C ATOM 624 OG SER A 41 4.813 1.776 -5.299 1.00 0.00 O ATOM 0 H SER A 41 3.291 2.007 -1.539 1.00 0.00 H new ATOM 0 HA SER A 41 2.817 0.807 -4.206 1.00 0.00 H new ATOM 0 HB2 SER A 41 4.377 2.984 -3.690 1.00 0.00 H new ATOM 0 HB3 SER A 41 5.547 1.717 -3.376 1.00 0.00 H new ATOM 0 HG SER A 41 5.533 2.368 -5.603 1.00 0.00 H new ATOM 630 N LEU A 42 4.001 -1.317 -3.710 1.00 0.00 N ATOM 631 CA LEU A 42 4.522 -2.635 -3.350 1.00 0.00 C ATOM 632 C LEU A 42 5.474 -3.166 -4.413 1.00 0.00 C ATOM 633 O LEU A 42 5.427 -2.751 -5.571 1.00 0.00 O ATOM 634 CB LEU A 42 3.378 -3.630 -3.165 1.00 0.00 C ATOM 635 CG LEU A 42 3.774 -4.981 -2.579 1.00 0.00 C ATOM 636 CD1 LEU A 42 4.208 -4.820 -1.133 1.00 0.00 C ATOM 637 CD2 LEU A 42 2.612 -5.950 -2.682 1.00 0.00 C ATOM 0 H LEU A 42 3.575 -1.272 -4.636 1.00 0.00 H new ATOM 0 HA LEU A 42 5.068 -2.523 -2.413 1.00 0.00 H new ATOM 0 HB2 LEU A 42 2.627 -3.178 -2.517 1.00 0.00 H new ATOM 0 HB3 LEU A 42 2.905 -3.797 -4.132 1.00 0.00 H new ATOM 0 HG LEU A 42 4.614 -5.382 -3.147 1.00 0.00 H new ATOM 0 HD11 LEU A 42 4.488 -5.792 -0.727 1.00 0.00 H new ATOM 0 HD12 LEU A 42 5.063 -4.146 -1.083 1.00 0.00 H new ATOM 0 HD13 LEU A 42 3.385 -4.407 -0.550 1.00 0.00 H new ATOM 0 HD21 LEU A 42 2.903 -6.913 -2.261 1.00 0.00 H new ATOM 0 HD22 LEU A 42 1.759 -5.555 -2.130 1.00 0.00 H new ATOM 0 HD23 LEU A 42 2.338 -6.079 -3.729 1.00 0.00 H new ATOM 649 N LYS A 43 6.327 -4.099 -4.008 1.00 0.00 N ATOM 650 CA LYS A 43 7.285 -4.709 -4.919 1.00 0.00 C ATOM 651 C LYS A 43 7.143 -6.229 -4.909 1.00 0.00 C ATOM 652 O LYS A 43 7.239 -6.865 -3.861 1.00 0.00 O ATOM 653 CB LYS A 43 8.716 -4.324 -4.527 1.00 0.00 C ATOM 654 CG LYS A 43 9.166 -2.906 -4.904 1.00 0.00 C ATOM 655 CD LYS A 43 8.297 -2.229 -5.962 1.00 0.00 C ATOM 656 CE LYS A 43 7.658 -0.964 -5.413 1.00 0.00 C ATOM 657 NZ LYS A 43 6.891 -0.227 -6.453 1.00 0.00 N ATOM 0 H LYS A 43 6.374 -4.450 -3.051 1.00 0.00 H new ATOM 0 HA LYS A 43 7.078 -4.341 -5.924 1.00 0.00 H new ATOM 0 HB2 LYS A 43 8.818 -4.440 -3.448 1.00 0.00 H new ATOM 0 HB3 LYS A 43 9.401 -5.035 -4.990 1.00 0.00 H new ATOM 0 HG2 LYS A 43 9.171 -2.289 -4.006 1.00 0.00 H new ATOM 0 HG3 LYS A 43 10.193 -2.948 -5.267 1.00 0.00 H new ATOM 0 HD2 LYS A 43 8.903 -1.985 -6.834 1.00 0.00 H new ATOM 0 HD3 LYS A 43 7.521 -2.918 -6.295 1.00 0.00 H new ATOM 0 HE2 LYS A 43 6.994 -1.223 -4.588 1.00 0.00 H new ATOM 0 HE3 LYS A 43 8.433 -0.314 -5.006 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 6.501 0.646 -6.043 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 7.522 0.014 -7.244 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 6.113 -0.824 -6.800 1.00 0.00 H new ATOM 671 N ALA A 44 6.923 -6.803 -6.085 1.00 0.00 N ATOM 672 CA ALA A 44 6.776 -8.247 -6.222 1.00 0.00 C ATOM 673 C ALA A 44 8.028 -8.856 -6.844 1.00 0.00 C ATOM 674 O ALA A 44 9.023 -8.163 -7.054 1.00 0.00 O ATOM 675 CB ALA A 44 5.551 -8.579 -7.060 1.00 0.00 C ATOM 0 H ALA A 44 6.842 -6.288 -6.962 1.00 0.00 H new ATOM 0 HA ALA A 44 6.642 -8.675 -5.229 1.00 0.00 H new ATOM 0 HB1 ALA A 44 5.456 -9.661 -7.153 1.00 0.00 H new ATOM 0 HB2 ALA A 44 4.660 -8.176 -6.578 1.00 0.00 H new ATOM 0 HB3 ALA A 44 5.658 -8.138 -8.051 1.00 0.00 H new ATOM 681 N SER A 45 7.976 -10.153 -7.135 1.00 0.00 N ATOM 682 CA SER A 45 9.112 -10.848 -7.734 1.00 0.00 C ATOM 683 C SER A 45 9.485 -10.223 -9.075 1.00 0.00 C ATOM 684 O SER A 45 9.094 -10.718 -10.132 1.00 0.00 O ATOM 685 CB SER A 45 8.788 -12.331 -7.921 1.00 0.00 C ATOM 686 OG SER A 45 9.952 -13.129 -7.787 1.00 0.00 O ATOM 0 H SER A 45 7.161 -10.743 -6.966 1.00 0.00 H new ATOM 0 HA SER A 45 9.963 -10.752 -7.059 1.00 0.00 H new ATOM 0 HB2 SER A 45 8.045 -12.640 -7.185 1.00 0.00 H new ATOM 0 HB3 SER A 45 8.347 -12.489 -8.905 1.00 0.00 H new ATOM 0 HG SER A 45 9.718 -14.073 -7.909 1.00 0.00 H new ATOM 692 N GLY A 46 10.239 -9.129 -9.022 1.00 0.00 N ATOM 693 CA GLY A 46 10.651 -8.445 -10.235 1.00 0.00 C ATOM 694 C GLY A 46 9.613 -7.461 -10.739 1.00 0.00 C ATOM 695 O GLY A 46 9.885 -6.665 -11.637 1.00 0.00 O ATOM 0 H GLY A 46 10.573 -8.703 -8.158 1.00 0.00 H new ATOM 0 HA2 GLY A 46 11.585 -7.916 -10.048 1.00 0.00 H new ATOM 0 HA3 GLY A 46 10.852 -9.183 -11.012 1.00 0.00 H new ATOM 699 N LYS A 47 8.426 -7.515 -10.155 1.00 0.00 N ATOM 700 CA LYS A 47 7.337 -6.625 -10.538 1.00 0.00 C ATOM 701 C LYS A 47 7.066 -5.597 -9.445 1.00 0.00 C ATOM 702 O LYS A 47 7.508 -5.755 -8.309 1.00 0.00 O ATOM 703 CB LYS A 47 6.066 -7.430 -10.824 1.00 0.00 C ATOM 704 CG LYS A 47 5.162 -6.792 -11.868 1.00 0.00 C ATOM 705 CD LYS A 47 5.904 -6.537 -13.172 1.00 0.00 C ATOM 706 CE LYS A 47 5.965 -5.054 -13.500 1.00 0.00 C ATOM 707 NZ LYS A 47 5.777 -4.800 -14.956 1.00 0.00 N ATOM 0 H LYS A 47 8.190 -8.170 -9.409 1.00 0.00 H new ATOM 0 HA LYS A 47 7.635 -6.097 -11.444 1.00 0.00 H new ATOM 0 HB2 LYS A 47 6.346 -8.428 -11.160 1.00 0.00 H new ATOM 0 HB3 LYS A 47 5.506 -7.551 -9.896 1.00 0.00 H new ATOM 0 HG2 LYS A 47 4.308 -7.442 -12.056 1.00 0.00 H new ATOM 0 HG3 LYS A 47 4.768 -5.851 -11.483 1.00 0.00 H new ATOM 0 HD2 LYS A 47 6.916 -6.936 -13.100 1.00 0.00 H new ATOM 0 HD3 LYS A 47 5.408 -7.070 -13.984 1.00 0.00 H new ATOM 0 HE2 LYS A 47 5.196 -4.525 -12.937 1.00 0.00 H new ATOM 0 HE3 LYS A 47 6.927 -4.651 -13.182 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 5.825 -3.777 -15.139 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 6.526 -5.283 -15.492 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 4.849 -5.162 -15.254 1.00 0.00 H new ATOM 721 N ASN A 48 6.335 -4.547 -9.797 1.00 0.00 N ATOM 722 CA ASN A 48 5.995 -3.494 -8.847 1.00 0.00 C ATOM 723 C ASN A 48 4.599 -2.955 -9.132 1.00 0.00 C ATOM 724 O ASN A 48 4.391 -2.227 -10.103 1.00 0.00 O ATOM 725 CB ASN A 48 7.021 -2.362 -8.913 1.00 0.00 C ATOM 726 CG ASN A 48 7.352 -1.962 -10.338 1.00 0.00 C ATOM 727 OD1 ASN A 48 7.915 -2.748 -11.100 1.00 0.00 O ATOM 728 ND2 ASN A 48 7.004 -0.734 -10.705 1.00 0.00 N ATOM 0 H ASN A 48 5.965 -4.401 -10.736 1.00 0.00 H new ATOM 0 HA ASN A 48 6.009 -3.918 -7.843 1.00 0.00 H new ATOM 0 HB2 ASN A 48 6.636 -1.495 -8.376 1.00 0.00 H new ATOM 0 HB3 ASN A 48 7.934 -2.673 -8.405 1.00 0.00 H new ATOM 0 HD21 ASN A 48 7.202 -0.409 -11.651 1.00 0.00 H new ATOM 0 HD22 ASN A 48 6.539 -0.116 -10.040 1.00 0.00 H new ATOM 735 N LYS A 49 3.638 -3.330 -8.292 1.00 0.00 N ATOM 736 CA LYS A 49 2.260 -2.896 -8.473 1.00 0.00 C ATOM 737 C LYS A 49 1.986 -1.556 -7.796 1.00 0.00 C ATOM 738 O LYS A 49 2.285 -1.367 -6.613 1.00 0.00 O ATOM 739 CB LYS A 49 1.300 -3.951 -7.941 1.00 0.00 C ATOM 740 CG LYS A 49 1.632 -5.353 -8.421 1.00 0.00 C ATOM 741 CD LYS A 49 1.951 -6.268 -7.256 1.00 0.00 C ATOM 742 CE LYS A 49 1.101 -7.531 -7.280 1.00 0.00 C ATOM 743 NZ LYS A 49 1.928 -8.752 -7.487 1.00 0.00 N ATOM 0 H LYS A 49 3.789 -3.932 -7.482 1.00 0.00 H new ATOM 0 HA LYS A 49 2.101 -2.764 -9.543 1.00 0.00 H new ATOM 0 HB2 LYS A 49 1.317 -3.933 -6.851 1.00 0.00 H new ATOM 0 HB3 LYS A 49 0.285 -3.699 -8.248 1.00 0.00 H new ATOM 0 HG2 LYS A 49 0.791 -5.756 -8.984 1.00 0.00 H new ATOM 0 HG3 LYS A 49 2.483 -5.316 -9.102 1.00 0.00 H new ATOM 0 HD2 LYS A 49 3.006 -6.539 -7.285 1.00 0.00 H new ATOM 0 HD3 LYS A 49 1.785 -5.736 -6.320 1.00 0.00 H new ATOM 0 HE2 LYS A 49 0.553 -7.618 -6.342 1.00 0.00 H new ATOM 0 HE3 LYS A 49 0.360 -7.455 -8.076 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 1.325 -9.596 -7.413 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 2.364 -8.720 -8.430 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 2.673 -8.794 -6.762 1.00 0.00 H new ATOM 757 N HIS A 50 1.395 -0.636 -8.557 1.00 0.00 N ATOM 758 CA HIS A 50 1.048 0.686 -8.046 1.00 0.00 C ATOM 759 C HIS A 50 -0.293 0.621 -7.326 1.00 0.00 C ATOM 760 O HIS A 50 -1.119 -0.242 -7.624 1.00 0.00 O ATOM 761 CB HIS A 50 0.987 1.708 -9.183 1.00 0.00 C ATOM 762 CG HIS A 50 0.209 1.236 -10.373 1.00 0.00 C ATOM 763 ND1 HIS A 50 -1.169 1.245 -10.423 1.00 0.00 N ATOM 764 CD2 HIS A 50 0.624 0.739 -11.562 1.00 0.00 C ATOM 765 CE1 HIS A 50 -1.568 0.773 -11.591 1.00 0.00 C ATOM 766 NE2 HIS A 50 -0.500 0.460 -12.300 1.00 0.00 N ATOM 0 H HIS A 50 1.146 -0.785 -9.535 1.00 0.00 H new ATOM 0 HA HIS A 50 1.819 1.003 -7.344 1.00 0.00 H new ATOM 0 HB2 HIS A 50 0.540 2.629 -8.809 1.00 0.00 H new ATOM 0 HB3 HIS A 50 2.002 1.951 -9.496 1.00 0.00 H new ATOM 0 HD2 HIS A 50 1.648 0.590 -11.872 1.00 0.00 H new ATOM 0 HE1 HIS A 50 -2.594 0.662 -11.911 1.00 0.00 H new ATOM 0 HE2 HIS A 50 -0.508 0.073 -13.244 1.00 0.00 H new ATOM 775 N PHE A 51 -0.506 1.513 -6.366 1.00 0.00 N ATOM 776 CA PHE A 51 -1.752 1.504 -5.610 1.00 0.00 C ATOM 777 C PHE A 51 -2.196 2.908 -5.200 1.00 0.00 C ATOM 778 O PHE A 51 -1.407 3.697 -4.677 1.00 0.00 O ATOM 779 CB PHE A 51 -1.579 0.639 -4.361 1.00 0.00 C ATOM 780 CG PHE A 51 -2.713 -0.312 -4.068 1.00 0.00 C ATOM 781 CD1 PHE A 51 -3.856 -0.349 -4.856 1.00 0.00 C ATOM 782 CD2 PHE A 51 -2.627 -1.178 -2.988 1.00 0.00 C ATOM 783 CE1 PHE A 51 -4.880 -1.227 -4.570 1.00 0.00 C ATOM 784 CE2 PHE A 51 -3.651 -2.056 -2.700 1.00 0.00 C ATOM 785 CZ PHE A 51 -4.778 -2.080 -3.493 1.00 0.00 C ATOM 0 H PHE A 51 0.156 2.240 -6.096 1.00 0.00 H new ATOM 0 HA PHE A 51 -2.527 1.094 -6.258 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -0.661 0.061 -4.465 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -1.447 1.295 -3.501 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -3.944 0.317 -5.702 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -1.746 -1.165 -2.364 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -5.763 -1.246 -5.191 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -3.570 -2.723 -1.855 1.00 0.00 H new ATOM 0 HZ PHE A 51 -5.581 -2.767 -3.270 1.00 0.00 H new ATOM 795 N LYS A 52 -3.479 3.193 -5.416 1.00 0.00 N ATOM 796 CA LYS A 52 -4.065 4.480 -5.051 1.00 0.00 C ATOM 797 C LYS A 52 -5.373 4.259 -4.298 1.00 0.00 C ATOM 798 O LYS A 52 -6.221 3.482 -4.735 1.00 0.00 O ATOM 799 CB LYS A 52 -4.322 5.332 -6.294 1.00 0.00 C ATOM 800 CG LYS A 52 -4.203 6.826 -6.042 1.00 0.00 C ATOM 801 CD LYS A 52 -4.344 7.621 -7.330 1.00 0.00 C ATOM 802 CE LYS A 52 -3.253 7.268 -8.326 1.00 0.00 C ATOM 803 NZ LYS A 52 -3.298 8.142 -9.531 1.00 0.00 N ATOM 0 H LYS A 52 -4.137 2.543 -5.846 1.00 0.00 H new ATOM 0 HA LYS A 52 -3.361 5.009 -4.409 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -3.615 5.046 -7.073 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -5.320 5.114 -6.674 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -4.971 7.139 -5.334 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -3.238 7.043 -5.583 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -5.320 7.426 -7.774 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -4.303 8.687 -7.107 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -2.279 7.361 -7.846 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -3.361 6.226 -8.629 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -2.538 7.869 -10.186 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -4.218 8.034 -10.004 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -3.170 9.134 -9.245 1.00 0.00 H new ATOM 817 N VAL A 53 -5.533 4.930 -3.162 1.00 0.00 N ATOM 818 CA VAL A 53 -6.744 4.775 -2.363 1.00 0.00 C ATOM 819 C VAL A 53 -7.496 6.096 -2.202 1.00 0.00 C ATOM 820 O VAL A 53 -7.062 6.990 -1.477 1.00 0.00 O ATOM 821 CB VAL A 53 -6.396 4.201 -0.974 1.00 0.00 C ATOM 822 CG1 VAL A 53 -7.646 3.959 -0.141 1.00 0.00 C ATOM 823 CG2 VAL A 53 -5.599 2.917 -1.129 1.00 0.00 C ATOM 0 H VAL A 53 -4.848 5.580 -2.777 1.00 0.00 H new ATOM 0 HA VAL A 53 -7.397 4.082 -2.894 1.00 0.00 H new ATOM 0 HB VAL A 53 -5.789 4.936 -0.445 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -7.363 3.555 0.831 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -8.178 4.900 -0.001 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -8.294 3.249 -0.655 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -5.357 2.518 -0.144 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -6.190 2.186 -1.682 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -4.677 3.124 -1.673 1.00 0.00 H new ATOM 833 N GLN A 54 -8.640 6.199 -2.875 1.00 0.00 N ATOM 834 CA GLN A 54 -9.478 7.395 -2.807 1.00 0.00 C ATOM 835 C GLN A 54 -10.899 7.034 -2.391 1.00 0.00 C ATOM 836 O GLN A 54 -11.406 5.972 -2.750 1.00 0.00 O ATOM 837 CB GLN A 54 -9.490 8.118 -4.157 1.00 0.00 C ATOM 838 CG GLN A 54 -9.275 9.620 -4.047 1.00 0.00 C ATOM 839 CD GLN A 54 -10.327 10.301 -3.192 1.00 0.00 C ATOM 840 OE1 GLN A 54 -10.319 10.185 -1.967 1.00 0.00 O ATOM 841 NE2 GLN A 54 -11.240 11.019 -3.838 1.00 0.00 N ATOM 0 H GLN A 54 -9.010 5.464 -3.477 1.00 0.00 H new ATOM 0 HA GLN A 54 -9.057 8.063 -2.056 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -8.713 7.694 -4.793 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -10.444 7.931 -4.651 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -8.289 9.812 -3.624 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -9.284 10.058 -5.045 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -11.209 11.088 -4.855 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -11.972 11.501 -3.317 1.00 0.00 H new ATOM 850 N LEU A 55 -11.540 7.919 -1.639 1.00 0.00 N ATOM 851 CA LEU A 55 -12.902 7.680 -1.186 1.00 0.00 C ATOM 852 C LEU A 55 -13.919 8.176 -2.209 1.00 0.00 C ATOM 853 O LEU A 55 -14.046 9.378 -2.447 1.00 0.00 O ATOM 854 CB LEU A 55 -13.135 8.353 0.163 1.00 0.00 C ATOM 855 CG LEU A 55 -13.396 7.388 1.317 1.00 0.00 C ATOM 856 CD1 LEU A 55 -12.771 7.915 2.596 1.00 0.00 C ATOM 857 CD2 LEU A 55 -14.891 7.157 1.495 1.00 0.00 C ATOM 0 H LEU A 55 -11.140 8.805 -1.331 1.00 0.00 H new ATOM 0 HA LEU A 55 -13.037 6.604 -1.073 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -12.264 8.962 0.406 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -13.984 9.031 0.074 1.00 0.00 H new ATOM 0 HG LEU A 55 -12.934 6.429 1.081 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -12.965 7.217 3.410 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -11.695 8.022 2.458 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -13.204 8.885 2.839 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -15.057 6.467 2.322 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -15.383 8.106 1.710 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -15.305 6.733 0.580 1.00 0.00 H new ATOM 869 N VAL A 56 -14.638 7.235 -2.807 1.00 0.00 N ATOM 870 CA VAL A 56 -15.649 7.548 -3.806 1.00 0.00 C ATOM 871 C VAL A 56 -17.053 7.278 -3.271 1.00 0.00 C ATOM 872 O VAL A 56 -17.283 6.286 -2.595 1.00 0.00 O ATOM 873 CB VAL A 56 -15.438 6.732 -5.094 1.00 0.00 C ATOM 874 CG1 VAL A 56 -16.502 5.658 -5.211 1.00 0.00 C ATOM 875 CG2 VAL A 56 -15.450 7.640 -6.314 1.00 0.00 C ATOM 0 H VAL A 56 -14.537 6.239 -2.614 1.00 0.00 H new ATOM 0 HA VAL A 56 -15.548 8.609 -4.036 1.00 0.00 H new ATOM 0 HB VAL A 56 -14.462 6.249 -5.045 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -16.343 5.087 -6.126 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -16.441 4.991 -4.351 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -17.487 6.123 -5.240 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -15.299 7.043 -7.213 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -16.409 8.154 -6.376 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -14.650 8.375 -6.228 1.00 0.00 H new ATOM 885 N ASP A 57 -17.985 8.156 -3.608 1.00 0.00 N ATOM 886 CA ASP A 57 -19.385 8.021 -3.191 1.00 0.00 C ATOM 887 C ASP A 57 -19.527 7.367 -1.812 1.00 0.00 C ATOM 888 O ASP A 57 -20.367 6.489 -1.615 1.00 0.00 O ATOM 889 CB ASP A 57 -20.164 7.212 -4.230 1.00 0.00 C ATOM 890 CG ASP A 57 -21.564 7.752 -4.450 1.00 0.00 C ATOM 891 OD1 ASP A 57 -22.113 8.376 -3.518 1.00 0.00 O ATOM 892 OD2 ASP A 57 -22.111 7.551 -5.555 1.00 0.00 O ATOM 0 H ASP A 57 -17.800 8.982 -4.177 1.00 0.00 H new ATOM 0 HA ASP A 57 -19.796 9.028 -3.117 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -19.621 7.221 -5.175 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -20.225 6.173 -3.907 1.00 0.00 H new ATOM 897 N ASN A 58 -18.714 7.812 -0.858 1.00 0.00 N ATOM 898 CA ASN A 58 -18.759 7.285 0.508 1.00 0.00 C ATOM 899 C ASN A 58 -18.195 5.866 0.604 1.00 0.00 C ATOM 900 O ASN A 58 -18.606 5.087 1.464 1.00 0.00 O ATOM 901 CB ASN A 58 -20.195 7.307 1.041 1.00 0.00 C ATOM 902 CG ASN A 58 -20.254 7.159 2.549 1.00 0.00 C ATOM 903 OD1 ASN A 58 -20.952 6.290 3.072 1.00 0.00 O ATOM 904 ND2 ASN A 58 -19.521 8.011 3.257 1.00 0.00 N ATOM 0 H ASN A 58 -18.013 8.539 -1.004 1.00 0.00 H new ATOM 0 HA ASN A 58 -18.130 7.932 1.119 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -20.673 8.243 0.752 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -20.764 6.502 0.577 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -19.522 7.961 4.276 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -18.957 8.716 2.782 1.00 0.00 H new ATOM 911 N VAL A 59 -17.236 5.541 -0.258 1.00 0.00 N ATOM 912 CA VAL A 59 -16.604 4.225 -0.237 1.00 0.00 C ATOM 913 C VAL A 59 -15.148 4.310 -0.664 1.00 0.00 C ATOM 914 O VAL A 59 -14.815 4.946 -1.663 1.00 0.00 O ATOM 915 CB VAL A 59 -17.337 3.185 -1.107 1.00 0.00 C ATOM 916 CG1 VAL A 59 -18.696 2.864 -0.516 1.00 0.00 C ATOM 917 CG2 VAL A 59 -17.466 3.662 -2.540 1.00 0.00 C ATOM 0 H VAL A 59 -16.880 6.169 -0.978 1.00 0.00 H new ATOM 0 HA VAL A 59 -16.664 3.885 0.797 1.00 0.00 H new ATOM 0 HB VAL A 59 -16.743 2.271 -1.117 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -19.201 2.128 -1.142 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -18.570 2.460 0.488 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -19.296 3.773 -0.469 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -17.987 2.907 -3.129 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -18.030 4.594 -2.564 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -16.474 3.828 -2.959 1.00 0.00 H new ATOM 927 N TYR A 60 -14.283 3.668 0.109 1.00 0.00 N ATOM 928 CA TYR A 60 -12.856 3.667 -0.170 1.00 0.00 C ATOM 929 C TYR A 60 -12.549 2.809 -1.390 1.00 0.00 C ATOM 930 O TYR A 60 -12.994 1.666 -1.484 1.00 0.00 O ATOM 931 CB TYR A 60 -12.090 3.158 1.050 1.00 0.00 C ATOM 932 CG TYR A 60 -12.656 3.652 2.367 1.00 0.00 C ATOM 933 CD1 TYR A 60 -12.281 4.884 2.891 1.00 0.00 C ATOM 934 CD2 TYR A 60 -13.566 2.886 3.084 1.00 0.00 C ATOM 935 CE1 TYR A 60 -12.797 5.334 4.092 1.00 0.00 C ATOM 936 CE2 TYR A 60 -14.087 3.330 4.285 1.00 0.00 C ATOM 937 CZ TYR A 60 -13.698 4.554 4.785 1.00 0.00 C ATOM 938 OH TYR A 60 -14.213 5.001 5.980 1.00 0.00 O ATOM 0 H TYR A 60 -14.548 3.138 0.939 1.00 0.00 H new ATOM 0 HA TYR A 60 -12.539 4.687 -0.386 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -12.098 2.068 1.046 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -11.048 3.469 0.971 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -11.576 5.499 2.352 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -13.872 1.926 2.696 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -12.495 6.293 4.486 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -14.795 2.721 4.828 1.00 0.00 H new ATOM 0 HH TYR A 60 -14.834 4.333 6.339 1.00 0.00 H new ATOM 948 N CYS A 61 -11.800 3.372 -2.331 1.00 0.00 N ATOM 949 CA CYS A 61 -11.452 2.661 -3.554 1.00 0.00 C ATOM 950 C CYS A 61 -9.974 2.281 -3.581 1.00 0.00 C ATOM 951 O CYS A 61 -9.102 3.142 -3.510 1.00 0.00 O ATOM 952 CB CYS A 61 -11.790 3.520 -4.776 1.00 0.00 C ATOM 953 SG CYS A 61 -11.379 2.751 -6.360 1.00 0.00 S ATOM 0 H CYS A 61 -11.423 4.318 -2.270 1.00 0.00 H new ATOM 0 HA CYS A 61 -12.037 1.742 -3.581 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -12.856 3.749 -4.762 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -11.259 4.469 -4.697 1.00 0.00 H new ATOM 0 HG CYS A 61 -11.696 1.491 -6.326 1.00 0.00 H new ATOM 959 N ILE A 62 -9.708 0.984 -3.700 1.00 0.00 N ATOM 960 CA ILE A 62 -8.337 0.478 -3.755 1.00 0.00 C ATOM 961 C ILE A 62 -8.129 -0.374 -5.007 1.00 0.00 C ATOM 962 O ILE A 62 -8.667 -1.475 -5.117 1.00 0.00 O ATOM 963 CB ILE A 62 -7.982 -0.374 -2.506 1.00 0.00 C ATOM 964 CG1 ILE A 62 -8.938 -0.068 -1.351 1.00 0.00 C ATOM 965 CG2 ILE A 62 -6.536 -0.139 -2.075 1.00 0.00 C ATOM 966 CD1 ILE A 62 -8.846 1.356 -0.852 1.00 0.00 C ATOM 0 H ILE A 62 -10.425 0.261 -3.760 1.00 0.00 H new ATOM 0 HA ILE A 62 -7.681 1.348 -3.781 1.00 0.00 H new ATOM 0 HB ILE A 62 -8.091 -1.424 -2.777 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -9.960 -0.266 -1.674 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -8.727 -0.748 -0.526 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -6.314 -0.748 -1.198 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -5.865 -0.415 -2.888 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -6.396 0.914 -1.830 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -9.551 1.501 -0.034 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -7.834 1.553 -0.498 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -9.086 2.042 -1.664 1.00 0.00 H new ATOM 978 N GLY A 63 -7.335 0.140 -5.942 1.00 0.00 N ATOM 979 CA GLY A 63 -7.055 -0.586 -7.170 1.00 0.00 C ATOM 980 C GLY A 63 -8.301 -0.984 -7.941 1.00 0.00 C ATOM 981 O GLY A 63 -8.711 -2.145 -7.914 1.00 0.00 O ATOM 0 H GLY A 63 -6.879 1.050 -5.871 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -6.424 0.030 -7.810 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -6.485 -1.483 -6.929 1.00 0.00 H new ATOM 985 N GLN A 64 -8.891 -0.023 -8.648 1.00 0.00 N ATOM 986 CA GLN A 64 -10.086 -0.272 -9.455 1.00 0.00 C ATOM 987 C GLN A 64 -11.112 -1.130 -8.714 1.00 0.00 C ATOM 988 O GLN A 64 -11.720 -2.028 -9.297 1.00 0.00 O ATOM 989 CB GLN A 64 -9.696 -0.952 -10.769 1.00 0.00 C ATOM 990 CG GLN A 64 -8.539 -0.275 -11.486 1.00 0.00 C ATOM 991 CD GLN A 64 -7.618 -1.267 -12.169 1.00 0.00 C ATOM 992 OE1 GLN A 64 -7.505 -1.287 -13.394 1.00 0.00 O ATOM 993 NE2 GLN A 64 -6.953 -2.100 -11.376 1.00 0.00 N ATOM 0 H GLN A 64 -8.560 0.941 -8.679 1.00 0.00 H new ATOM 0 HA GLN A 64 -10.549 0.693 -9.660 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -9.430 -1.989 -10.566 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -10.562 -0.969 -11.430 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -8.932 0.420 -12.227 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -7.966 0.314 -10.769 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -7.076 -2.049 -10.365 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -6.319 -2.790 -11.778 1.00 0.00 H new ATOM 1002 N ARG A 65 -11.306 -0.845 -7.433 1.00 0.00 N ATOM 1003 CA ARG A 65 -12.265 -1.588 -6.621 1.00 0.00 C ATOM 1004 C ARG A 65 -12.754 -0.733 -5.459 1.00 0.00 C ATOM 1005 O ARG A 65 -12.091 0.225 -5.067 1.00 0.00 O ATOM 1006 CB ARG A 65 -11.632 -2.877 -6.094 1.00 0.00 C ATOM 1007 CG ARG A 65 -11.869 -4.083 -6.989 1.00 0.00 C ATOM 1008 CD ARG A 65 -13.329 -4.508 -6.977 1.00 0.00 C ATOM 1009 NE ARG A 65 -14.111 -3.814 -7.998 1.00 0.00 N ATOM 1010 CZ ARG A 65 -13.980 -4.029 -9.305 1.00 0.00 C ATOM 1011 NH1 ARG A 65 -13.095 -4.909 -9.755 1.00 0.00 N ATOM 1012 NH2 ARG A 65 -14.736 -3.359 -10.165 1.00 0.00 N ATOM 0 H ARG A 65 -10.813 -0.105 -6.933 1.00 0.00 H new ATOM 0 HA ARG A 65 -13.118 -1.847 -7.248 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -10.559 -2.725 -5.981 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -12.030 -3.088 -5.102 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -11.567 -3.845 -8.009 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -11.245 -4.912 -6.656 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -13.394 -5.584 -7.140 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -13.757 -4.307 -5.995 1.00 0.00 H new ATOM 0 HE ARG A 65 -14.797 -3.125 -7.691 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -12.510 -5.425 -9.098 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -13.000 -5.069 -10.758 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -15.417 -2.680 -9.824 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -14.637 -3.523 -11.167 1.00 0.00 H new ATOM 1026 N ARG A 66 -13.919 -1.076 -4.914 1.00 0.00 N ATOM 1027 CA ARG A 66 -14.488 -0.328 -3.806 1.00 0.00 C ATOM 1028 C ARG A 66 -14.605 -1.193 -2.559 1.00 0.00 C ATOM 1029 O ARG A 66 -15.146 -2.298 -2.596 1.00 0.00 O ATOM 1030 CB ARG A 66 -15.852 0.222 -4.199 1.00 0.00 C ATOM 1031 CG ARG A 66 -15.875 0.878 -5.572 1.00 0.00 C ATOM 1032 CD ARG A 66 -14.748 1.890 -5.739 1.00 0.00 C ATOM 1033 NE ARG A 66 -14.437 2.130 -7.147 1.00 0.00 N ATOM 1034 CZ ARG A 66 -15.241 2.779 -7.986 1.00 0.00 C ATOM 1035 NH1 ARG A 66 -16.406 3.256 -7.565 1.00 0.00 N ATOM 1036 NH2 ARG A 66 -14.879 2.952 -9.250 1.00 0.00 N ATOM 0 H ARG A 66 -14.483 -1.867 -5.224 1.00 0.00 H new ATOM 0 HA ARG A 66 -13.820 0.502 -3.574 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -16.580 -0.589 -4.182 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -16.169 0.951 -3.453 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -15.791 0.111 -6.342 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -16.834 1.375 -5.721 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -15.030 2.830 -5.264 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -13.856 1.529 -5.226 1.00 0.00 H new ATOM 0 HE ARG A 66 -13.550 1.779 -7.508 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -16.689 3.126 -6.594 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -17.018 3.753 -8.213 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -13.985 2.588 -9.579 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -15.495 3.449 -9.893 1.00 0.00 H new ATOM 1050 N PHE A 67 -14.072 -0.676 -1.462 1.00 0.00 N ATOM 1051 CA PHE A 67 -14.075 -1.376 -0.187 1.00 0.00 C ATOM 1052 C PHE A 67 -14.433 -0.429 0.954 1.00 0.00 C ATOM 1053 O PHE A 67 -14.297 0.787 0.826 1.00 0.00 O ATOM 1054 CB PHE A 67 -12.705 -1.997 0.053 1.00 0.00 C ATOM 1055 CG PHE A 67 -12.271 -2.907 -1.061 1.00 0.00 C ATOM 1056 CD1 PHE A 67 -13.147 -3.844 -1.589 1.00 0.00 C ATOM 1057 CD2 PHE A 67 -10.991 -2.826 -1.583 1.00 0.00 C ATOM 1058 CE1 PHE A 67 -12.753 -4.680 -2.617 1.00 0.00 C ATOM 1059 CE2 PHE A 67 -10.591 -3.660 -2.610 1.00 0.00 C ATOM 1060 CZ PHE A 67 -11.474 -4.588 -3.128 1.00 0.00 C ATOM 0 H PHE A 67 -13.625 0.241 -1.431 1.00 0.00 H new ATOM 0 HA PHE A 67 -14.830 -2.162 -0.220 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -11.968 -1.203 0.174 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -12.725 -2.559 0.987 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -14.149 -3.921 -1.192 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -10.297 -2.102 -1.183 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -13.445 -5.404 -3.020 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -9.589 -3.586 -3.007 1.00 0.00 H new ATOM 0 HZ PHE A 67 -11.164 -5.240 -3.931 1.00 0.00 H new ATOM 1070 N HIS A 68 -14.879 -0.992 2.072 1.00 0.00 N ATOM 1071 CA HIS A 68 -15.241 -0.193 3.237 1.00 0.00 C ATOM 1072 C HIS A 68 -14.053 -0.062 4.181 1.00 0.00 C ATOM 1073 O HIS A 68 -14.200 -0.121 5.402 1.00 0.00 O ATOM 1074 CB HIS A 68 -16.422 -0.828 3.965 1.00 0.00 C ATOM 1075 CG HIS A 68 -16.194 -2.258 4.345 1.00 0.00 C ATOM 1076 ND1 HIS A 68 -16.924 -3.302 3.818 1.00 0.00 N ATOM 1077 CD2 HIS A 68 -15.308 -2.817 5.204 1.00 0.00 C ATOM 1078 CE1 HIS A 68 -16.499 -4.440 4.337 1.00 0.00 C ATOM 1079 NE2 HIS A 68 -15.519 -4.174 5.180 1.00 0.00 N ATOM 0 H HIS A 68 -14.998 -1.997 2.196 1.00 0.00 H new ATOM 0 HA HIS A 68 -15.529 0.802 2.899 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -16.636 -0.251 4.865 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -17.305 -0.766 3.330 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -14.573 -2.293 5.797 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -16.888 -5.422 4.110 1.00 0.00 H new ATOM 0 HE2 HIS A 68 -15.002 -4.864 5.725 1.00 0.00 H new ATOM 1088 N THR A 69 -12.875 0.107 3.598 1.00 0.00 N ATOM 1089 CA THR A 69 -11.646 0.238 4.368 1.00 0.00 C ATOM 1090 C THR A 69 -10.616 1.083 3.616 1.00 0.00 C ATOM 1091 O THR A 69 -10.688 1.225 2.397 1.00 0.00 O ATOM 1092 CB THR A 69 -11.081 -1.150 4.666 1.00 0.00 C ATOM 1093 OG1 THR A 69 -10.077 -1.080 5.662 1.00 0.00 O ATOM 1094 CG2 THR A 69 -10.486 -1.829 3.450 1.00 0.00 C ATOM 0 H THR A 69 -12.744 0.157 2.588 1.00 0.00 H new ATOM 0 HA THR A 69 -11.872 0.745 5.306 1.00 0.00 H new ATOM 0 HB THR A 69 -11.931 -1.741 5.008 1.00 0.00 H new ATOM 0 HG1 THR A 69 -10.342 -1.624 6.433 1.00 0.00 H new ATOM 0 HG21 THR A 69 -10.103 -2.810 3.732 1.00 0.00 H new ATOM 0 HG22 THR A 69 -11.254 -1.945 2.686 1.00 0.00 H new ATOM 0 HG23 THR A 69 -9.671 -1.221 3.056 1.00 0.00 H new ATOM 1102 N MET A 70 -9.659 1.642 4.352 1.00 0.00 N ATOM 1103 CA MET A 70 -8.618 2.475 3.758 1.00 0.00 C ATOM 1104 C MET A 70 -7.699 3.016 4.848 1.00 0.00 C ATOM 1105 O MET A 70 -8.153 3.670 5.787 1.00 0.00 O ATOM 1106 CB MET A 70 -9.254 3.617 2.948 1.00 0.00 C ATOM 1107 CG MET A 70 -8.550 4.965 3.064 1.00 0.00 C ATOM 1108 SD MET A 70 -9.216 5.979 4.399 1.00 0.00 S ATOM 1109 CE MET A 70 -8.153 7.417 4.300 1.00 0.00 C ATOM 0 H MET A 70 -9.583 1.533 5.363 1.00 0.00 H new ATOM 0 HA MET A 70 -8.018 1.872 3.077 1.00 0.00 H new ATOM 0 HB2 MET A 70 -9.278 3.327 1.898 1.00 0.00 H new ATOM 0 HB3 MET A 70 -10.289 3.737 3.269 1.00 0.00 H new ATOM 0 HG2 MET A 70 -7.485 4.802 3.232 1.00 0.00 H new ATOM 0 HG3 MET A 70 -8.645 5.503 2.121 1.00 0.00 H new ATOM 0 HE1 MET A 70 -8.636 8.261 4.793 1.00 0.00 H new ATOM 0 HE2 MET A 70 -7.205 7.203 4.793 1.00 0.00 H new ATOM 0 HE3 MET A 70 -7.971 7.663 3.254 1.00 0.00 H new ATOM 1119 N ASP A 71 -6.408 2.722 4.720 1.00 0.00 N ATOM 1120 CA ASP A 71 -5.401 3.156 5.691 1.00 0.00 C ATOM 1121 C ASP A 71 -5.371 2.224 6.894 1.00 0.00 C ATOM 1122 O ASP A 71 -4.323 2.013 7.503 1.00 0.00 O ATOM 1123 CB ASP A 71 -5.666 4.588 6.142 1.00 0.00 C ATOM 1124 CG ASP A 71 -4.451 5.225 6.788 1.00 0.00 C ATOM 1125 OD1 ASP A 71 -3.320 4.801 6.471 1.00 0.00 O ATOM 1126 OD2 ASP A 71 -4.632 6.148 7.610 1.00 0.00 O ATOM 0 H ASP A 71 -6.029 2.179 3.945 1.00 0.00 H new ATOM 0 HA ASP A 71 -4.428 3.121 5.202 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -5.973 5.185 5.284 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -6.496 4.596 6.849 1.00 0.00 H new ATOM 1131 N GLU A 72 -6.522 1.649 7.215 1.00 0.00 N ATOM 1132 CA GLU A 72 -6.621 0.715 8.326 1.00 0.00 C ATOM 1133 C GLU A 72 -6.500 -0.709 7.802 1.00 0.00 C ATOM 1134 O GLU A 72 -6.202 -1.639 8.551 1.00 0.00 O ATOM 1135 CB GLU A 72 -7.949 0.899 9.066 1.00 0.00 C ATOM 1136 CG GLU A 72 -7.783 1.300 10.522 1.00 0.00 C ATOM 1137 CD GLU A 72 -7.157 2.671 10.680 1.00 0.00 C ATOM 1138 OE1 GLU A 72 -5.924 2.784 10.514 1.00 0.00 O ATOM 1139 OE2 GLU A 72 -7.899 3.633 10.968 1.00 0.00 O ATOM 0 H GLU A 72 -7.399 1.813 6.721 1.00 0.00 H new ATOM 0 HA GLU A 72 -5.811 0.910 9.029 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -8.539 1.659 8.553 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -8.515 -0.031 9.016 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -8.757 1.291 11.011 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -7.164 0.561 11.030 1.00 0.00 H new ATOM 1146 N LEU A 73 -6.721 -0.861 6.499 1.00 0.00 N ATOM 1147 CA LEU A 73 -6.627 -2.158 5.852 1.00 0.00 C ATOM 1148 C LEU A 73 -5.186 -2.559 5.624 1.00 0.00 C ATOM 1149 O LEU A 73 -4.901 -3.708 5.312 1.00 0.00 O ATOM 1150 CB LEU A 73 -7.389 -2.174 4.517 1.00 0.00 C ATOM 1151 CG LEU A 73 -7.056 -1.062 3.487 1.00 0.00 C ATOM 1152 CD1 LEU A 73 -5.772 -0.313 3.808 1.00 0.00 C ATOM 1153 CD2 LEU A 73 -6.940 -1.653 2.094 1.00 0.00 C ATOM 0 H LEU A 73 -6.967 -0.096 5.871 1.00 0.00 H new ATOM 0 HA LEU A 73 -7.087 -2.882 6.525 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -7.211 -3.138 4.040 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -8.455 -2.119 4.738 1.00 0.00 H new ATOM 0 HG LEU A 73 -7.878 -0.348 3.537 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -5.597 0.450 3.050 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -5.862 0.160 4.786 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -4.936 -1.012 3.819 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -6.706 -0.862 1.381 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -6.146 -2.400 2.081 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -7.884 -2.122 1.818 1.00 0.00 H new ATOM 1165 N VAL A 74 -4.278 -1.619 5.784 1.00 0.00 N ATOM 1166 CA VAL A 74 -2.876 -1.903 5.598 1.00 0.00 C ATOM 1167 C VAL A 74 -2.288 -2.502 6.867 1.00 0.00 C ATOM 1168 O VAL A 74 -1.148 -2.965 6.883 1.00 0.00 O ATOM 1169 CB VAL A 74 -2.095 -0.643 5.230 1.00 0.00 C ATOM 1170 CG1 VAL A 74 -0.846 -1.024 4.463 1.00 0.00 C ATOM 1171 CG2 VAL A 74 -2.957 0.310 4.412 1.00 0.00 C ATOM 0 H VAL A 74 -4.488 -0.655 6.042 1.00 0.00 H new ATOM 0 HA VAL A 74 -2.792 -2.616 4.778 1.00 0.00 H new ATOM 0 HB VAL A 74 -1.807 -0.128 6.146 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -0.291 -0.123 4.202 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -0.222 -1.669 5.082 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -1.126 -1.555 3.553 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -2.379 1.200 4.162 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -3.277 -0.185 3.495 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -3.833 0.598 4.993 1.00 0.00 H new ATOM 1181 N GLU A 75 -3.086 -2.488 7.929 1.00 0.00 N ATOM 1182 CA GLU A 75 -2.662 -3.030 9.214 1.00 0.00 C ATOM 1183 C GLU A 75 -3.035 -4.503 9.321 1.00 0.00 C ATOM 1184 O GLU A 75 -2.338 -5.289 9.964 1.00 0.00 O ATOM 1185 CB GLU A 75 -3.299 -2.244 10.361 1.00 0.00 C ATOM 1186 CG GLU A 75 -2.377 -2.058 11.556 1.00 0.00 C ATOM 1187 CD GLU A 75 -2.399 -0.641 12.096 1.00 0.00 C ATOM 1188 OE1 GLU A 75 -3.507 -0.101 12.301 1.00 0.00 O ATOM 1189 OE2 GLU A 75 -1.309 -0.073 12.317 1.00 0.00 O ATOM 0 H GLU A 75 -4.032 -2.106 7.925 1.00 0.00 H new ATOM 0 HA GLU A 75 -1.578 -2.938 9.284 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -3.606 -1.265 9.993 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -4.202 -2.760 10.686 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -2.670 -2.749 12.347 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -1.358 -2.317 11.268 1.00 0.00 H new ATOM 1196 N HIS A 76 -4.138 -4.870 8.678 1.00 0.00 N ATOM 1197 CA HIS A 76 -4.608 -6.249 8.688 1.00 0.00 C ATOM 1198 C HIS A 76 -4.934 -6.724 7.275 1.00 0.00 C ATOM 1199 O HIS A 76 -5.578 -7.757 7.093 1.00 0.00 O ATOM 1200 CB HIS A 76 -5.843 -6.383 9.580 1.00 0.00 C ATOM 1201 CG HIS A 76 -5.671 -5.774 10.937 1.00 0.00 C ATOM 1202 ND1 HIS A 76 -4.501 -5.869 11.662 1.00 0.00 N ATOM 1203 CD2 HIS A 76 -6.529 -5.059 11.702 1.00 0.00 C ATOM 1204 CE1 HIS A 76 -4.648 -5.239 12.814 1.00 0.00 C ATOM 1205 NE2 HIS A 76 -5.868 -4.739 12.863 1.00 0.00 N ATOM 0 H HIS A 76 -4.724 -4.230 8.142 1.00 0.00 H new ATOM 0 HA HIS A 76 -3.810 -6.875 9.087 1.00 0.00 H new ATOM 0 HB2 HIS A 76 -6.692 -5.912 9.084 1.00 0.00 H new ATOM 0 HB3 HIS A 76 -6.086 -7.439 9.693 1.00 0.00 H new ATOM 0 HD1 HIS A 76 -3.655 -6.350 11.357 1.00 0.00 H new ATOM 0 HD2 HIS A 76 -7.544 -4.790 11.447 1.00 0.00 H new ATOM 0 HE1 HIS A 76 -3.897 -5.149 13.585 1.00 0.00 H new ATOM 1214 N TYR A 77 -4.479 -5.969 6.272 1.00 0.00 N ATOM 1215 CA TYR A 77 -4.716 -6.317 4.878 1.00 0.00 C ATOM 1216 C TYR A 77 -6.177 -6.714 4.645 1.00 0.00 C ATOM 1217 O TYR A 77 -6.472 -7.833 4.226 1.00 0.00 O ATOM 1218 CB TYR A 77 -3.764 -7.436 4.448 1.00 0.00 C ATOM 1219 CG TYR A 77 -2.822 -7.901 5.540 1.00 0.00 C ATOM 1220 CD1 TYR A 77 -1.682 -7.172 5.853 1.00 0.00 C ATOM 1221 CD2 TYR A 77 -3.074 -9.065 6.257 1.00 0.00 C ATOM 1222 CE1 TYR A 77 -0.819 -7.590 6.848 1.00 0.00 C ATOM 1223 CE2 TYR A 77 -2.216 -9.488 7.254 1.00 0.00 C ATOM 1224 CZ TYR A 77 -1.090 -8.748 7.545 1.00 0.00 C ATOM 1225 OH TYR A 77 -0.233 -9.167 8.537 1.00 0.00 O ATOM 0 H TYR A 77 -3.943 -5.111 6.405 1.00 0.00 H new ATOM 0 HA TYR A 77 -4.518 -5.438 4.265 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -4.352 -8.287 4.104 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -3.175 -7.091 3.598 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -1.467 -6.264 5.310 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -3.955 -9.648 6.031 1.00 0.00 H new ATOM 0 HE1 TYR A 77 0.064 -7.012 7.079 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -2.427 -10.394 7.803 1.00 0.00 H new ATOM 0 HH TYR A 77 -0.569 -9.999 8.930 1.00 0.00 H new ATOM 1235 N LYS A 78 -7.087 -5.779 4.925 1.00 0.00 N ATOM 1236 CA LYS A 78 -8.519 -6.014 4.754 1.00 0.00 C ATOM 1237 C LYS A 78 -8.856 -6.279 3.281 1.00 0.00 C ATOM 1238 O LYS A 78 -8.322 -7.216 2.688 1.00 0.00 O ATOM 1239 CB LYS A 78 -9.311 -4.820 5.296 1.00 0.00 C ATOM 1240 CG LYS A 78 -8.962 -4.464 6.732 1.00 0.00 C ATOM 1241 CD LYS A 78 -9.826 -5.230 7.720 1.00 0.00 C ATOM 1242 CE LYS A 78 -9.571 -4.782 9.150 1.00 0.00 C ATOM 1243 NZ LYS A 78 -9.630 -5.922 10.106 1.00 0.00 N ATOM 0 H LYS A 78 -6.855 -4.849 5.273 1.00 0.00 H new ATOM 0 HA LYS A 78 -8.801 -6.902 5.320 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -9.128 -3.954 4.660 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -10.376 -5.042 5.233 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -7.911 -4.685 6.918 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -9.094 -3.393 6.885 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -10.878 -5.084 7.474 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -9.623 -6.297 7.631 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -8.593 -4.306 9.213 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -10.309 -4.032 9.433 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -9.451 -5.576 11.070 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -10.572 -6.361 10.065 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -8.908 -6.626 9.851 1.00 0.00 H new ATOM 1257 N LYS A 79 -9.736 -5.466 2.681 1.00 0.00 N ATOM 1258 CA LYS A 79 -10.099 -5.662 1.281 1.00 0.00 C ATOM 1259 C LYS A 79 -8.948 -5.251 0.368 1.00 0.00 C ATOM 1260 O LYS A 79 -9.063 -4.322 -0.430 1.00 0.00 O ATOM 1261 CB LYS A 79 -11.342 -4.850 0.936 1.00 0.00 C ATOM 1262 CG LYS A 79 -12.532 -5.152 1.825 1.00 0.00 C ATOM 1263 CD LYS A 79 -12.947 -6.609 1.727 1.00 0.00 C ATOM 1264 CE LYS A 79 -13.710 -6.891 0.443 1.00 0.00 C ATOM 1265 NZ LYS A 79 -14.414 -8.202 0.494 1.00 0.00 N ATOM 0 H LYS A 79 -10.200 -4.681 3.138 1.00 0.00 H new ATOM 0 HA LYS A 79 -10.311 -6.720 1.129 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -11.104 -3.789 1.010 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -11.616 -5.044 -0.101 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -12.285 -4.912 2.859 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -13.370 -4.515 1.542 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -12.062 -7.243 1.771 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -13.568 -6.869 2.584 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -14.435 -6.096 0.269 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -13.019 -6.882 -0.400 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -14.923 -8.358 -0.400 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -13.720 -8.964 0.635 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -15.092 -8.202 1.283 1.00 0.00 H new ATOM 1279 N ALA A 80 -7.841 -5.962 0.499 1.00 0.00 N ATOM 1280 CA ALA A 80 -6.650 -5.712 -0.295 1.00 0.00 C ATOM 1281 C ALA A 80 -6.464 -6.782 -1.362 1.00 0.00 C ATOM 1282 O ALA A 80 -6.878 -7.926 -1.174 1.00 0.00 O ATOM 1283 CB ALA A 80 -5.428 -5.645 0.603 1.00 0.00 C ATOM 0 H ALA A 80 -7.743 -6.731 1.161 1.00 0.00 H new ATOM 0 HA ALA A 80 -6.774 -4.754 -0.799 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -4.541 -5.457 -0.003 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -5.551 -4.838 1.326 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -5.313 -6.591 1.132 1.00 0.00 H new ATOM 1289 N PRO A 81 -5.785 -6.454 -2.475 1.00 0.00 N ATOM 1290 CA PRO A 81 -5.494 -7.427 -3.527 1.00 0.00 C ATOM 1291 C PRO A 81 -4.354 -8.329 -3.081 1.00 0.00 C ATOM 1292 O PRO A 81 -3.752 -9.046 -3.881 1.00 0.00 O ATOM 1293 CB PRO A 81 -5.035 -6.541 -4.676 1.00 0.00 C ATOM 1294 CG PRO A 81 -4.305 -5.462 -3.969 1.00 0.00 C ATOM 1295 CD PRO A 81 -5.169 -5.147 -2.772 1.00 0.00 C ATOM 0 HA PRO A 81 -6.335 -8.073 -3.781 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -4.392 -7.079 -5.373 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -5.875 -6.154 -5.252 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -3.310 -5.788 -3.666 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -4.174 -4.587 -4.606 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -4.581 -4.775 -1.933 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -5.917 -4.387 -2.999 1.00 0.00 H new ATOM 1303 N ILE A 82 -4.053 -8.257 -1.784 1.00 0.00 N ATOM 1304 CA ILE A 82 -2.986 -9.017 -1.193 1.00 0.00 C ATOM 1305 C ILE A 82 -3.234 -10.504 -1.378 1.00 0.00 C ATOM 1306 O ILE A 82 -4.264 -11.042 -0.972 1.00 0.00 O ATOM 1307 CB ILE A 82 -2.834 -8.655 0.291 1.00 0.00 C ATOM 1308 CG1 ILE A 82 -2.115 -7.316 0.398 1.00 0.00 C ATOM 1309 CG2 ILE A 82 -2.066 -9.720 1.052 1.00 0.00 C ATOM 1310 CD1 ILE A 82 -2.683 -6.419 1.453 1.00 0.00 C ATOM 0 H ILE A 82 -4.553 -7.663 -1.123 1.00 0.00 H new ATOM 0 HA ILE A 82 -2.051 -8.769 -1.696 1.00 0.00 H new ATOM 0 HB ILE A 82 -3.826 -8.589 0.737 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -1.061 -7.494 0.612 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -2.164 -6.808 -0.565 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -1.979 -9.428 2.099 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -2.596 -10.670 0.983 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -1.070 -9.828 0.622 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -2.124 -5.483 1.475 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -3.729 -6.211 1.229 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -2.610 -6.908 2.424 1.00 0.00 H new ATOM 1322 N PHE A 83 -2.286 -11.141 -2.033 1.00 0.00 N ATOM 1323 CA PHE A 83 -2.374 -12.564 -2.339 1.00 0.00 C ATOM 1324 C PHE A 83 -1.015 -13.253 -2.233 1.00 0.00 C ATOM 1325 O PHE A 83 0.020 -12.636 -2.467 1.00 0.00 O ATOM 1326 CB PHE A 83 -2.925 -12.729 -3.753 1.00 0.00 C ATOM 1327 CG PHE A 83 -3.709 -13.995 -3.950 1.00 0.00 C ATOM 1328 CD1 PHE A 83 -4.989 -14.120 -3.432 1.00 0.00 C ATOM 1329 CD2 PHE A 83 -3.166 -15.059 -4.651 1.00 0.00 C ATOM 1330 CE1 PHE A 83 -5.712 -15.284 -3.610 1.00 0.00 C ATOM 1331 CE2 PHE A 83 -3.885 -16.226 -4.832 1.00 0.00 C ATOM 1332 CZ PHE A 83 -5.159 -16.338 -4.311 1.00 0.00 C ATOM 0 H PHE A 83 -1.433 -10.694 -2.370 1.00 0.00 H new ATOM 0 HA PHE A 83 -3.037 -13.033 -1.611 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -3.563 -11.877 -3.987 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -2.096 -12.711 -4.461 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -5.426 -13.299 -2.883 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -2.170 -14.976 -5.061 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -6.708 -15.370 -3.202 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -3.451 -17.049 -5.380 1.00 0.00 H new ATOM 0 HZ PHE A 83 -5.722 -17.249 -4.451 1.00 0.00 H new ATOM 1342 N THR A 84 -1.022 -14.542 -1.901 1.00 0.00 N ATOM 1343 CA THR A 84 0.222 -15.300 -1.791 1.00 0.00 C ATOM 1344 C THR A 84 0.140 -16.627 -2.526 1.00 0.00 C ATOM 1345 O THR A 84 -0.919 -17.250 -2.607 1.00 0.00 O ATOM 1346 CB THR A 84 0.585 -15.574 -0.331 1.00 0.00 C ATOM 1347 OG1 THR A 84 0.708 -14.366 0.394 1.00 0.00 O ATOM 1348 CG2 THR A 84 1.887 -16.347 -0.184 1.00 0.00 C ATOM 0 H THR A 84 -1.867 -15.079 -1.705 1.00 0.00 H new ATOM 0 HA THR A 84 0.995 -14.682 -2.249 1.00 0.00 H new ATOM 0 HB THR A 84 -0.229 -16.180 0.068 1.00 0.00 H new ATOM 0 HG1 THR A 84 -0.155 -13.902 0.406 1.00 0.00 H new ATOM 0 HG21 THR A 84 2.094 -16.513 0.873 1.00 0.00 H new ATOM 0 HG22 THR A 84 1.799 -17.308 -0.691 1.00 0.00 H new ATOM 0 HG23 THR A 84 2.702 -15.775 -0.628 1.00 0.00 H new ATOM 1356 N SER A 85 1.285 -17.066 -3.025 1.00 0.00 N ATOM 1357 CA SER A 85 1.387 -18.336 -3.718 1.00 0.00 C ATOM 1358 C SER A 85 2.212 -19.299 -2.874 1.00 0.00 C ATOM 1359 O SER A 85 3.263 -18.919 -2.346 1.00 0.00 O ATOM 1360 CB SER A 85 2.036 -18.149 -5.091 1.00 0.00 C ATOM 1361 OG SER A 85 2.520 -19.380 -5.599 1.00 0.00 O ATOM 0 H SER A 85 2.164 -16.553 -2.960 1.00 0.00 H new ATOM 0 HA SER A 85 0.388 -18.744 -3.868 1.00 0.00 H new ATOM 0 HB2 SER A 85 1.310 -17.726 -5.785 1.00 0.00 H new ATOM 0 HB3 SER A 85 2.857 -17.436 -5.015 1.00 0.00 H new ATOM 0 HG SER A 85 2.928 -19.233 -6.478 1.00 0.00 H new ATOM 1367 N GLU A 86 1.727 -20.535 -2.736 1.00 0.00 N ATOM 1368 CA GLU A 86 2.418 -21.552 -1.943 1.00 0.00 C ATOM 1369 C GLU A 86 3.908 -21.561 -2.262 1.00 0.00 C ATOM 1370 O GLU A 86 4.321 -22.020 -3.327 1.00 0.00 O ATOM 1371 CB GLU A 86 1.817 -22.934 -2.208 1.00 0.00 C ATOM 1372 CG GLU A 86 0.307 -22.985 -2.038 1.00 0.00 C ATOM 1373 CD GLU A 86 -0.153 -22.420 -0.708 1.00 0.00 C ATOM 1374 OE1 GLU A 86 0.534 -22.658 0.308 1.00 0.00 O ATOM 1375 OE2 GLU A 86 -1.199 -21.739 -0.682 1.00 0.00 O ATOM 0 H GLU A 86 0.858 -20.855 -3.164 1.00 0.00 H new ATOM 0 HA GLU A 86 2.289 -21.308 -0.888 1.00 0.00 H new ATOM 0 HB2 GLU A 86 2.070 -23.243 -3.222 1.00 0.00 H new ATOM 0 HB3 GLU A 86 2.275 -23.656 -1.531 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -0.164 -22.427 -2.847 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -0.029 -24.018 -2.125 1.00 0.00 H new ATOM 1382 N HIS A 87 4.709 -21.028 -1.345 1.00 0.00 N ATOM 1383 CA HIS A 87 6.149 -20.956 -1.550 1.00 0.00 C ATOM 1384 C HIS A 87 6.453 -20.190 -2.836 1.00 0.00 C ATOM 1385 O HIS A 87 7.512 -20.355 -3.441 1.00 0.00 O ATOM 1386 CB HIS A 87 6.752 -22.360 -1.613 1.00 0.00 C ATOM 1387 CG HIS A 87 7.031 -22.948 -0.265 1.00 0.00 C ATOM 1388 ND1 HIS A 87 6.314 -24.002 0.260 1.00 0.00 N ATOM 1389 CD2 HIS A 87 7.956 -22.622 0.670 1.00 0.00 C ATOM 1390 CE1 HIS A 87 6.785 -24.299 1.459 1.00 0.00 C ATOM 1391 NE2 HIS A 87 7.781 -23.477 1.730 1.00 0.00 N ATOM 0 H HIS A 87 4.387 -20.642 -0.458 1.00 0.00 H new ATOM 0 HA HIS A 87 6.597 -20.428 -0.708 1.00 0.00 H new ATOM 0 HB2 HIS A 87 6.070 -23.016 -2.153 1.00 0.00 H new ATOM 0 HB3 HIS A 87 7.679 -22.324 -2.184 1.00 0.00 H new ATOM 0 HD2 HIS A 87 8.693 -21.836 0.595 1.00 0.00 H new ATOM 0 HE1 HIS A 87 6.417 -25.081 2.106 1.00 0.00 H new ATOM 0 HE2 HIS A 87 8.332 -23.477 2.588 1.00 0.00 H new ATOM 1400 N GLY A 88 5.500 -19.353 -3.243 1.00 0.00 N ATOM 1401 CA GLY A 88 5.649 -18.565 -4.447 1.00 0.00 C ATOM 1402 C GLY A 88 5.851 -17.094 -4.160 1.00 0.00 C ATOM 1403 O GLY A 88 6.361 -16.366 -5.006 1.00 0.00 O ATOM 0 H GLY A 88 4.619 -19.209 -2.750 1.00 0.00 H new ATOM 0 HA2 GLY A 88 6.498 -18.939 -5.019 1.00 0.00 H new ATOM 0 HA3 GLY A 88 4.764 -18.691 -5.071 1.00 0.00 H new ATOM 1407 N GLU A 89 5.458 -16.679 -2.951 1.00 0.00 N ATOM 1408 CA GLU A 89 5.584 -15.295 -2.474 1.00 0.00 C ATOM 1409 C GLU A 89 4.252 -14.723 -2.048 1.00 0.00 C ATOM 1410 O GLU A 89 3.192 -15.154 -2.502 1.00 0.00 O ATOM 1411 CB GLU A 89 6.252 -14.371 -3.486 1.00 0.00 C ATOM 1412 CG GLU A 89 7.748 -14.554 -3.476 1.00 0.00 C ATOM 1413 CD GLU A 89 8.352 -14.658 -4.864 1.00 0.00 C ATOM 1414 OE1 GLU A 89 7.630 -14.395 -5.848 1.00 0.00 O ATOM 1415 OE2 GLU A 89 9.549 -15.002 -4.966 1.00 0.00 O ATOM 0 H GLU A 89 5.036 -17.304 -2.264 1.00 0.00 H new ATOM 0 HA GLU A 89 6.237 -15.348 -1.603 1.00 0.00 H new ATOM 0 HB2 GLU A 89 5.863 -14.576 -4.483 1.00 0.00 H new ATOM 0 HB3 GLU A 89 6.007 -13.334 -3.255 1.00 0.00 H new ATOM 0 HG2 GLU A 89 8.206 -13.716 -2.951 1.00 0.00 H new ATOM 0 HG3 GLU A 89 7.993 -15.455 -2.913 1.00 0.00 H new ATOM 1422 N LYS A 90 4.327 -13.759 -1.144 1.00 0.00 N ATOM 1423 CA LYS A 90 3.136 -13.121 -0.600 1.00 0.00 C ATOM 1424 C LYS A 90 3.027 -11.654 -1.007 1.00 0.00 C ATOM 1425 O LYS A 90 4.012 -10.916 -0.999 1.00 0.00 O ATOM 1426 CB LYS A 90 3.143 -13.215 0.931 1.00 0.00 C ATOM 1427 CG LYS A 90 3.661 -14.541 1.472 1.00 0.00 C ATOM 1428 CD LYS A 90 4.639 -14.331 2.618 1.00 0.00 C ATOM 1429 CE LYS A 90 4.848 -15.608 3.415 1.00 0.00 C ATOM 1430 NZ LYS A 90 3.776 -15.814 4.427 1.00 0.00 N ATOM 0 H LYS A 90 5.205 -13.399 -0.769 1.00 0.00 H new ATOM 0 HA LYS A 90 2.276 -13.650 -1.010 1.00 0.00 H new ATOM 0 HB2 LYS A 90 3.757 -12.408 1.331 1.00 0.00 H new ATOM 0 HB3 LYS A 90 2.129 -13.057 1.298 1.00 0.00 H new ATOM 0 HG2 LYS A 90 2.823 -15.148 1.814 1.00 0.00 H new ATOM 0 HG3 LYS A 90 4.150 -15.096 0.671 1.00 0.00 H new ATOM 0 HD2 LYS A 90 5.595 -13.987 2.223 1.00 0.00 H new ATOM 0 HD3 LYS A 90 4.266 -13.547 3.277 1.00 0.00 H new ATOM 0 HE2 LYS A 90 4.874 -16.460 2.735 1.00 0.00 H new ATOM 0 HE3 LYS A 90 5.816 -15.570 3.915 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 3.956 -16.696 4.949 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 3.767 -15.014 5.091 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 2.855 -15.877 3.949 1.00 0.00 H new ATOM 1444 N LEU A 91 1.804 -11.234 -1.318 1.00 0.00 N ATOM 1445 CA LEU A 91 1.526 -9.848 -1.679 1.00 0.00 C ATOM 1446 C LEU A 91 0.842 -9.190 -0.510 1.00 0.00 C ATOM 1447 O LEU A 91 -0.371 -9.229 -0.420 1.00 0.00 O ATOM 1448 CB LEU A 91 0.598 -9.770 -2.897 1.00 0.00 C ATOM 1449 CG LEU A 91 1.037 -8.859 -4.034 1.00 0.00 C ATOM 1450 CD1 LEU A 91 0.366 -7.507 -3.890 1.00 0.00 C ATOM 1451 CD2 LEU A 91 2.547 -8.727 -4.070 1.00 0.00 C ATOM 0 H LEU A 91 0.984 -11.840 -1.327 1.00 0.00 H new ATOM 0 HA LEU A 91 2.463 -9.350 -1.926 1.00 0.00 H new ATOM 0 HB2 LEU A 91 0.475 -10.777 -3.296 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -0.383 -9.440 -2.556 1.00 0.00 H new ATOM 0 HG LEU A 91 0.730 -9.300 -4.983 1.00 0.00 H new ATOM 0 HD11 LEU A 91 0.681 -6.856 -4.705 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -0.716 -7.632 -3.924 1.00 0.00 H new ATOM 0 HD13 LEU A 91 0.650 -7.060 -2.937 1.00 0.00 H new ATOM 0 HD21 LEU A 91 2.835 -8.071 -4.891 1.00 0.00 H new ATOM 0 HD22 LEU A 91 2.898 -8.305 -3.128 1.00 0.00 H new ATOM 0 HD23 LEU A 91 2.995 -9.710 -4.216 1.00 0.00 H new ATOM 1463 N TYR A 92 1.621 -8.616 0.385 1.00 0.00 N ATOM 1464 CA TYR A 92 1.067 -7.984 1.581 1.00 0.00 C ATOM 1465 C TYR A 92 1.554 -6.559 1.765 1.00 0.00 C ATOM 1466 O TYR A 92 2.639 -6.195 1.311 1.00 0.00 O ATOM 1467 CB TYR A 92 1.435 -8.804 2.815 1.00 0.00 C ATOM 1468 CG TYR A 92 0.527 -9.989 3.059 1.00 0.00 C ATOM 1469 CD1 TYR A 92 0.798 -11.222 2.485 1.00 0.00 C ATOM 1470 CD2 TYR A 92 -0.598 -9.874 3.866 1.00 0.00 C ATOM 1471 CE1 TYR A 92 -0.026 -12.309 2.705 1.00 0.00 C ATOM 1472 CE2 TYR A 92 -1.427 -10.956 4.092 1.00 0.00 C ATOM 1473 CZ TYR A 92 -1.137 -12.171 3.509 1.00 0.00 C ATOM 1474 OH TYR A 92 -1.959 -13.251 3.732 1.00 0.00 O ATOM 0 H TYR A 92 2.637 -8.570 0.314 1.00 0.00 H new ATOM 0 HA TYR A 92 -0.015 -7.949 1.453 1.00 0.00 H new ATOM 0 HB2 TYR A 92 2.460 -9.160 2.710 1.00 0.00 H new ATOM 0 HB3 TYR A 92 1.411 -8.155 3.690 1.00 0.00 H new ATOM 0 HD1 TYR A 92 1.668 -11.334 1.855 1.00 0.00 H new ATOM 0 HD2 TYR A 92 -0.828 -8.923 4.324 1.00 0.00 H new ATOM 0 HE1 TYR A 92 0.199 -13.262 2.249 1.00 0.00 H new ATOM 0 HE2 TYR A 92 -2.298 -10.850 4.722 1.00 0.00 H new ATOM 0 HH TYR A 92 -2.696 -12.985 4.321 1.00 0.00 H new ATOM 1484 N LEU A 93 0.749 -5.761 2.464 1.00 0.00 N ATOM 1485 CA LEU A 93 1.108 -4.383 2.740 1.00 0.00 C ATOM 1486 C LEU A 93 1.947 -4.311 4.009 1.00 0.00 C ATOM 1487 O LEU A 93 1.584 -3.635 4.972 1.00 0.00 O ATOM 1488 CB LEU A 93 -0.134 -3.495 2.878 1.00 0.00 C ATOM 1489 CG LEU A 93 -1.179 -3.634 1.768 1.00 0.00 C ATOM 1490 CD1 LEU A 93 -2.575 -3.574 2.347 1.00 0.00 C ATOM 1491 CD2 LEU A 93 -1.020 -2.540 0.731 1.00 0.00 C ATOM 0 H LEU A 93 -0.152 -6.049 2.846 1.00 0.00 H new ATOM 0 HA LEU A 93 1.691 -4.011 1.897 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -0.613 -3.718 3.832 1.00 0.00 H new ATOM 0 HB3 LEU A 93 0.189 -2.455 2.919 1.00 0.00 H new ATOM 0 HG LEU A 93 -1.025 -4.600 1.288 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -3.306 -3.674 1.545 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -2.707 -4.386 3.062 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -2.719 -2.619 2.852 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -1.775 -2.663 -0.046 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -1.143 -1.567 1.207 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -0.027 -2.603 0.285 1.00 0.00 H new ATOM 1503 N VAL A 94 3.072 -5.025 4.001 1.00 0.00 N ATOM 1504 CA VAL A 94 3.975 -5.062 5.147 1.00 0.00 C ATOM 1505 C VAL A 94 4.231 -3.653 5.690 1.00 0.00 C ATOM 1506 O VAL A 94 3.433 -3.133 6.469 1.00 0.00 O ATOM 1507 CB VAL A 94 5.309 -5.761 4.776 1.00 0.00 C ATOM 1508 CG1 VAL A 94 5.809 -5.295 3.420 1.00 0.00 C ATOM 1509 CG2 VAL A 94 6.365 -5.560 5.858 1.00 0.00 C ATOM 0 H VAL A 94 3.380 -5.588 3.208 1.00 0.00 H new ATOM 0 HA VAL A 94 3.495 -5.643 5.934 1.00 0.00 H new ATOM 0 HB VAL A 94 5.115 -6.831 4.709 1.00 0.00 H new ATOM 0 HG11 VAL A 94 6.746 -5.800 3.184 1.00 0.00 H new ATOM 0 HG12 VAL A 94 5.067 -5.532 2.658 1.00 0.00 H new ATOM 0 HG13 VAL A 94 5.974 -4.218 3.444 1.00 0.00 H new ATOM 0 HG21 VAL A 94 7.287 -6.063 5.565 1.00 0.00 H new ATOM 0 HG22 VAL A 94 6.558 -4.495 5.985 1.00 0.00 H new ATOM 0 HG23 VAL A 94 6.007 -5.978 6.798 1.00 0.00 H new ATOM 1519 N ARG A 95 5.331 -3.038 5.273 1.00 0.00 N ATOM 1520 CA ARG A 95 5.668 -1.690 5.720 1.00 0.00 C ATOM 1521 C ARG A 95 6.946 -1.190 5.081 1.00 0.00 C ATOM 1522 O ARG A 95 7.634 -1.907 4.355 1.00 0.00 O ATOM 1523 CB ARG A 95 5.836 -1.595 7.241 1.00 0.00 C ATOM 1524 CG ARG A 95 4.571 -1.238 8.019 1.00 0.00 C ATOM 1525 CD ARG A 95 3.628 -0.342 7.228 1.00 0.00 C ATOM 1526 NE ARG A 95 2.524 0.149 8.049 1.00 0.00 N ATOM 1527 CZ ARG A 95 1.621 1.029 7.626 1.00 0.00 C ATOM 1528 NH1 ARG A 95 1.693 1.524 6.396 1.00 0.00 N ATOM 1529 NH2 ARG A 95 0.643 1.417 8.433 1.00 0.00 N ATOM 0 H ARG A 95 6.005 -3.450 4.627 1.00 0.00 H new ATOM 0 HA ARG A 95 4.825 -1.071 5.413 1.00 0.00 H new ATOM 0 HB2 ARG A 95 6.211 -2.550 7.608 1.00 0.00 H new ATOM 0 HB3 ARG A 95 6.599 -0.848 7.459 1.00 0.00 H new ATOM 0 HG2 ARG A 95 4.049 -2.154 8.295 1.00 0.00 H new ATOM 0 HG3 ARG A 95 4.849 -0.737 8.946 1.00 0.00 H new ATOM 0 HD2 ARG A 95 4.184 0.504 6.825 1.00 0.00 H new ATOM 0 HD3 ARG A 95 3.230 -0.896 6.378 1.00 0.00 H new ATOM 0 HE ARG A 95 2.441 -0.204 9.002 1.00 0.00 H new ATOM 0 HH11 ARG A 95 2.443 1.230 5.771 1.00 0.00 H new ATOM 0 HH12 ARG A 95 0.998 2.199 6.076 1.00 0.00 H new ATOM 0 HH21 ARG A 95 0.583 1.041 9.379 1.00 0.00 H new ATOM 0 HH22 ARG A 95 -0.049 2.092 8.108 1.00 0.00 H new ATOM 1543 N ALA A 96 7.247 0.060 5.383 1.00 0.00 N ATOM 1544 CA ALA A 96 8.432 0.720 4.884 1.00 0.00 C ATOM 1545 C ALA A 96 9.671 0.242 5.634 1.00 0.00 C ATOM 1546 O ALA A 96 10.123 0.886 6.581 1.00 0.00 O ATOM 1547 CB ALA A 96 8.257 2.213 5.063 1.00 0.00 C ATOM 0 H ALA A 96 6.670 0.647 5.986 1.00 0.00 H new ATOM 0 HA ALA A 96 8.568 0.481 3.829 1.00 0.00 H new ATOM 0 HB1 ALA A 96 9.142 2.730 4.692 1.00 0.00 H new ATOM 0 HB2 ALA A 96 7.382 2.546 4.506 1.00 0.00 H new ATOM 0 HB3 ALA A 96 8.121 2.439 6.121 1.00 0.00 H new ATOM 1553 N LEU A 97 10.212 -0.895 5.208 1.00 0.00 N ATOM 1554 CA LEU A 97 11.395 -1.464 5.843 1.00 0.00 C ATOM 1555 C LEU A 97 12.664 -1.065 5.097 1.00 0.00 C ATOM 1556 O LEU A 97 12.624 -0.254 4.172 1.00 0.00 O ATOM 1557 CB LEU A 97 11.279 -2.990 5.905 1.00 0.00 C ATOM 1558 CG LEU A 97 9.884 -3.519 6.244 1.00 0.00 C ATOM 1559 CD1 LEU A 97 9.740 -4.969 5.807 1.00 0.00 C ATOM 1560 CD2 LEU A 97 9.609 -3.379 7.733 1.00 0.00 C ATOM 0 H LEU A 97 9.850 -1.440 4.426 1.00 0.00 H new ATOM 0 HA LEU A 97 11.458 -1.069 6.857 1.00 0.00 H new ATOM 0 HB2 LEU A 97 11.583 -3.402 4.943 1.00 0.00 H new ATOM 0 HB3 LEU A 97 11.983 -3.363 6.649 1.00 0.00 H new ATOM 0 HG LEU A 97 9.150 -2.924 5.701 1.00 0.00 H new ATOM 0 HD11 LEU A 97 8.741 -5.327 6.057 1.00 0.00 H new ATOM 0 HD12 LEU A 97 9.893 -5.041 4.730 1.00 0.00 H new ATOM 0 HD13 LEU A 97 10.483 -5.579 6.320 1.00 0.00 H new ATOM 0 HD21 LEU A 97 8.613 -3.760 7.956 1.00 0.00 H new ATOM 0 HD22 LEU A 97 10.350 -3.948 8.295 1.00 0.00 H new ATOM 0 HD23 LEU A 97 9.668 -2.328 8.017 1.00 0.00 H new ATOM 1572 N GLN A 98 13.791 -1.640 5.507 1.00 0.00 N ATOM 1573 CA GLN A 98 15.074 -1.343 4.879 1.00 0.00 C ATOM 1574 C GLN A 98 15.493 -2.469 3.938 1.00 0.00 C ATOM 1575 O GLN A 98 15.476 -3.639 4.373 1.00 0.00 O ATOM 1576 CB GLN A 98 16.149 -1.127 5.946 1.00 0.00 C ATOM 1577 CG GLN A 98 17.301 -0.250 5.482 1.00 0.00 C ATOM 1578 CD GLN A 98 17.233 1.155 6.050 1.00 0.00 C ATOM 1579 OE1 GLN A 98 17.331 2.139 5.317 1.00 0.00 O ATOM 1580 NE2 GLN A 98 17.065 1.255 7.364 1.00 0.00 N ATOM 1581 OXT GLN A 98 15.834 -2.170 2.774 1.00 0.00 O ATOM 0 H GLN A 98 13.842 -2.314 6.271 1.00 0.00 H new ATOM 0 HA GLN A 98 14.962 -0.429 4.295 1.00 0.00 H new ATOM 0 HB2 GLN A 98 15.690 -0.674 6.825 1.00 0.00 H new ATOM 0 HB3 GLN A 98 16.542 -2.096 6.255 1.00 0.00 H new ATOM 0 HG2 GLN A 98 18.244 -0.711 5.776 1.00 0.00 H new ATOM 0 HG3 GLN A 98 17.297 -0.198 4.393 1.00 0.00 H new ATOM 0 HE21 GLN A 98 16.988 0.413 7.934 1.00 0.00 H new ATOM 0 HE22 GLN A 98 17.013 2.174 7.803 1.00 0.00 H new