USER MOD reduce.3.24.130724 H: found=0, std=0, add=685, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 687 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 71 SER OG : rot -172:sc= -0.742 USER MOD Set 1.2: A 73 THR OG1 : rot 180:sc= 0.0253 USER MOD Single : A 8 THR OG1 : rot -36:sc= 0.165 USER MOD Single : A 11 GLN : amide:sc= 0.00291 X(o=0.0029,f=-0.063) USER MOD Single : A 14 ASN : amide:sc= -0.119 K(o=-0.12,f=-1.4!) USER MOD Single : A 32 SER OG : rot 39:sc= 0.263 USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot 67:sc= 1.25 USER MOD Single : A 40 HIS : no HD1:sc= -0.107 X(o=-0.11,f=0) USER MOD Single : A 44 THR OG1 : rot -105:sc= -0.666 USER MOD Single : A 47 SER OG : rot 56:sc= 0.344 USER MOD Single : A 51 LYS NZ :NH3+ 167:sc= -0.0301 (180deg=-0.213) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 GLN : amide:sc= 0.948 K(o=0.95,f=-0.035) USER MOD Single : A 59 GLN : amide:sc= -0.0831 K(o=-0.083,f=-2.1) USER MOD Single : A 62 TYR OH : rot 180:sc= -2.52! USER MOD Single : A 64 SER OG : rot -77:sc= 1.18 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 SER OG : rot 180:sc= 0.0493 USER MOD Single : A 77 TYR OH : rot 30:sc= -0.478 USER MOD Single : A 79 HIS : no HE2:sc= -0.272 K(o=-0.27,f=-4.9!) USER MOD Single : A 83 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 86 MET CE :methyl -112:sc= -0.0842 (180deg=-2.86!) USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 88 GLN : amide:sc= -0.418 X(o=-0.42,f=-0.12) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 97 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 98 ASN : amide:sc= -1.69 K(o=-1.7,f=-5.8!) USER MOD Single : A 100 THR OG1 : rot -170:sc= 0.0157 USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 120 N THR A 8 1.132 12.404 -2.699 1.00 0.00 N ATOM 121 CA THR A 8 1.620 11.038 -2.677 1.00 0.00 C ATOM 122 C THR A 8 0.883 10.233 -1.610 1.00 0.00 C ATOM 123 O THR A 8 0.188 10.807 -0.767 1.00 0.00 O ATOM 124 CB THR A 8 3.138 10.999 -2.421 1.00 0.00 C ATOM 125 OG1 THR A 8 3.463 11.772 -1.258 1.00 0.00 O ATOM 126 CG2 THR A 8 3.898 11.540 -3.623 1.00 0.00 C ATOM 0 HA THR A 8 1.429 10.592 -3.653 1.00 0.00 H new ATOM 0 HB THR A 8 3.431 9.962 -2.257 1.00 0.00 H new ATOM 0 HG1 THR A 8 2.875 12.554 -1.210 1.00 0.00 H new ATOM 0 HG21 THR A 8 4.969 11.504 -3.423 1.00 0.00 H new ATOM 0 HG22 THR A 8 3.672 10.933 -4.500 1.00 0.00 H new ATOM 0 HG23 THR A 8 3.598 12.571 -3.809 1.00 0.00 H new ATOM 134 N VAL A 9 1.047 8.913 -1.642 1.00 0.00 N ATOM 135 CA VAL A 9 0.311 8.016 -0.751 1.00 0.00 C ATOM 136 C VAL A 9 0.531 8.382 0.713 1.00 0.00 C ATOM 137 O VAL A 9 -0.421 8.469 1.489 1.00 0.00 O ATOM 138 CB VAL A 9 0.704 6.540 -0.977 1.00 0.00 C ATOM 139 CG1 VAL A 9 -0.118 5.618 -0.087 1.00 0.00 C ATOM 140 CG2 VAL A 9 0.536 6.158 -2.440 1.00 0.00 C ATOM 0 H VAL A 9 1.686 8.437 -2.279 1.00 0.00 H new ATOM 0 HA VAL A 9 -0.745 8.136 -0.991 1.00 0.00 H new ATOM 0 HB VAL A 9 1.754 6.425 -0.709 1.00 0.00 H new ATOM 0 HG11 VAL A 9 0.177 4.584 -0.264 1.00 0.00 H new ATOM 0 HG12 VAL A 9 0.056 5.871 0.959 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -1.177 5.738 -0.318 1.00 0.00 H new ATOM 0 HG21 VAL A 9 0.818 5.114 -2.578 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -0.504 6.295 -2.735 1.00 0.00 H new ATOM 0 HG23 VAL A 9 1.174 6.791 -3.057 1.00 0.00 H new ATOM 150 N GLU A 10 1.782 8.625 1.075 1.00 0.00 N ATOM 151 CA GLU A 10 2.130 8.947 2.452 1.00 0.00 C ATOM 152 C GLU A 10 1.508 10.275 2.881 1.00 0.00 C ATOM 153 O GLU A 10 1.132 10.451 4.040 1.00 0.00 O ATOM 154 CB GLU A 10 3.655 9.003 2.613 1.00 0.00 C ATOM 155 CG GLU A 10 4.321 10.071 1.756 1.00 0.00 C ATOM 156 CD GLU A 10 5.828 10.074 1.884 1.00 0.00 C ATOM 157 OE1 GLU A 10 6.344 10.620 2.879 1.00 0.00 O ATOM 158 OE2 GLU A 10 6.505 9.542 0.979 1.00 0.00 O ATOM 0 H GLU A 10 2.575 8.605 0.433 1.00 0.00 H new ATOM 0 HA GLU A 10 1.731 8.162 3.094 1.00 0.00 H new ATOM 0 HB2 GLU A 10 3.895 9.188 3.660 1.00 0.00 H new ATOM 0 HB3 GLU A 10 4.075 8.030 2.357 1.00 0.00 H new ATOM 0 HG2 GLU A 10 4.051 9.913 0.712 1.00 0.00 H new ATOM 0 HG3 GLU A 10 3.935 11.050 2.040 1.00 0.00 H new ATOM 165 N GLN A 11 1.375 11.190 1.926 1.00 0.00 N ATOM 166 CA GLN A 11 0.917 12.540 2.213 1.00 0.00 C ATOM 167 C GLN A 11 -0.529 12.547 2.698 1.00 0.00 C ATOM 168 O GLN A 11 -0.831 13.113 3.749 1.00 0.00 O ATOM 169 CB GLN A 11 1.065 13.423 0.972 1.00 0.00 C ATOM 170 CG GLN A 11 0.694 14.882 1.204 1.00 0.00 C ATOM 171 CD GLN A 11 1.573 15.553 2.242 1.00 0.00 C ATOM 172 OE1 GLN A 11 2.622 16.111 1.916 1.00 0.00 O ATOM 173 NE2 GLN A 11 1.147 15.518 3.494 1.00 0.00 N ATOM 0 H GLN A 11 1.580 11.017 0.942 1.00 0.00 H new ATOM 0 HA GLN A 11 1.539 12.942 3.013 1.00 0.00 H new ATOM 0 HB2 GLN A 11 2.096 13.372 0.623 1.00 0.00 H new ATOM 0 HB3 GLN A 11 0.438 13.021 0.176 1.00 0.00 H new ATOM 0 HG2 GLN A 11 0.771 15.426 0.263 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -0.347 14.942 1.522 1.00 0.00 H new ATOM 0 HE21 GLN A 11 0.272 15.045 3.722 1.00 0.00 H new ATOM 0 HE22 GLN A 11 1.693 15.964 4.231 1.00 0.00 H new ATOM 182 N TRP A 12 -1.422 11.916 1.944 1.00 0.00 N ATOM 183 CA TRP A 12 -2.831 11.910 2.313 1.00 0.00 C ATOM 184 C TRP A 12 -3.097 10.922 3.436 1.00 0.00 C ATOM 185 O TRP A 12 -3.909 11.190 4.312 1.00 0.00 O ATOM 186 CB TRP A 12 -3.743 11.612 1.107 1.00 0.00 C ATOM 187 CG TRP A 12 -3.522 10.274 0.459 1.00 0.00 C ATOM 188 CD1 TRP A 12 -2.711 10.007 -0.600 1.00 0.00 C ATOM 189 CD2 TRP A 12 -4.142 9.027 0.812 1.00 0.00 C ATOM 190 NE1 TRP A 12 -2.769 8.673 -0.919 1.00 0.00 N ATOM 191 CE2 TRP A 12 -3.639 8.049 -0.065 1.00 0.00 C ATOM 192 CE3 TRP A 12 -5.062 8.642 1.792 1.00 0.00 C ATOM 193 CZ2 TRP A 12 -4.028 6.714 0.004 1.00 0.00 C ATOM 194 CZ3 TRP A 12 -5.447 7.317 1.859 1.00 0.00 C ATOM 195 CH2 TRP A 12 -4.928 6.366 0.972 1.00 0.00 C ATOM 0 H TRP A 12 -1.200 11.410 1.087 1.00 0.00 H new ATOM 0 HA TRP A 12 -3.070 12.913 2.667 1.00 0.00 H new ATOM 0 HB2 TRP A 12 -4.782 11.674 1.432 1.00 0.00 H new ATOM 0 HB3 TRP A 12 -3.596 12.390 0.358 1.00 0.00 H new ATOM 0 HD1 TRP A 12 -2.108 10.740 -1.116 1.00 0.00 H new ATOM 0 HE1 TRP A 12 -2.249 8.220 -1.670 1.00 0.00 H new ATOM 0 HE3 TRP A 12 -5.464 9.367 2.484 1.00 0.00 H new ATOM 0 HZ2 TRP A 12 -3.633 5.980 -0.683 1.00 0.00 H new ATOM 0 HZ3 TRP A 12 -6.161 7.009 2.609 1.00 0.00 H new ATOM 0 HH2 TRP A 12 -5.245 5.337 1.054 1.00 0.00 H new ATOM 206 N LEU A 13 -2.386 9.800 3.431 1.00 0.00 N ATOM 207 CA LEU A 13 -2.641 8.730 4.391 1.00 0.00 C ATOM 208 C LEU A 13 -2.312 9.169 5.815 1.00 0.00 C ATOM 209 O LEU A 13 -3.043 8.845 6.754 1.00 0.00 O ATOM 210 CB LEU A 13 -1.840 7.481 4.024 1.00 0.00 C ATOM 211 CG LEU A 13 -2.117 6.252 4.893 1.00 0.00 C ATOM 212 CD1 LEU A 13 -3.582 5.853 4.807 1.00 0.00 C ATOM 213 CD2 LEU A 13 -1.232 5.096 4.464 1.00 0.00 C ATOM 0 H LEU A 13 -1.630 9.607 2.775 1.00 0.00 H new ATOM 0 HA LEU A 13 -3.704 8.493 4.350 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -2.050 7.226 2.985 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -0.778 7.718 4.086 1.00 0.00 H new ATOM 0 HG LEU A 13 -1.890 6.504 5.929 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -3.758 4.977 5.432 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -4.205 6.678 5.154 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -3.835 5.618 3.773 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -1.439 4.228 5.090 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -1.436 4.849 3.422 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -0.185 5.380 4.572 1.00 0.00 H new ATOM 225 N ASN A 14 -1.228 9.923 5.965 1.00 0.00 N ATOM 226 CA ASN A 14 -0.790 10.388 7.281 1.00 0.00 C ATOM 227 C ASN A 14 -1.885 11.223 7.945 1.00 0.00 C ATOM 228 O ASN A 14 -2.227 11.013 9.110 1.00 0.00 O ATOM 229 CB ASN A 14 0.500 11.208 7.151 1.00 0.00 C ATOM 230 CG ASN A 14 1.238 11.366 8.470 1.00 0.00 C ATOM 231 OD1 ASN A 14 0.636 11.384 9.545 1.00 0.00 O ATOM 232 ND2 ASN A 14 2.557 11.473 8.398 1.00 0.00 N ATOM 0 H ASN A 14 -0.635 10.226 5.193 1.00 0.00 H new ATOM 0 HA ASN A 14 -0.591 9.519 7.908 1.00 0.00 H new ATOM 0 HB2 ASN A 14 1.159 10.727 6.428 1.00 0.00 H new ATOM 0 HB3 ASN A 14 0.259 12.195 6.755 1.00 0.00 H new ATOM 0 HD21 ASN A 14 3.108 11.574 9.251 1.00 0.00 H new ATOM 0 HD22 ASN A 14 3.021 11.454 7.490 1.00 0.00 H new ATOM 239 N ARG A 15 -2.458 12.150 7.188 1.00 0.00 N ATOM 240 CA ARG A 15 -3.515 13.005 7.712 1.00 0.00 C ATOM 241 C ARG A 15 -4.860 12.281 7.690 1.00 0.00 C ATOM 242 O ARG A 15 -5.731 12.549 8.518 1.00 0.00 O ATOM 243 CB ARG A 15 -3.595 14.314 6.921 1.00 0.00 C ATOM 244 CG ARG A 15 -4.108 14.157 5.500 1.00 0.00 C ATOM 245 CD ARG A 15 -4.110 15.487 4.770 1.00 0.00 C ATOM 246 NE ARG A 15 -4.767 15.403 3.469 1.00 0.00 N ATOM 247 CZ ARG A 15 -4.452 16.177 2.432 1.00 0.00 C ATOM 248 NH1 ARG A 15 -3.409 16.995 2.503 1.00 0.00 N ATOM 249 NH2 ARG A 15 -5.160 16.109 1.313 1.00 0.00 N ATOM 0 H ARG A 15 -2.210 12.328 6.215 1.00 0.00 H new ATOM 0 HA ARG A 15 -3.274 13.245 8.748 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -4.245 15.008 7.454 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -2.604 14.766 6.889 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -3.484 13.444 4.961 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -5.118 13.747 5.518 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -4.615 16.234 5.382 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -3.083 15.827 4.635 1.00 0.00 H new ATOM 0 HE ARG A 15 -5.508 14.713 3.347 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -2.847 17.032 3.353 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -3.170 17.587 1.707 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -5.947 15.463 1.246 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -4.918 16.702 0.519 1.00 0.00 H new ATOM 263 N TRP A 16 -5.011 11.347 6.753 1.00 0.00 N ATOM 264 CA TRP A 16 -6.236 10.564 6.631 1.00 0.00 C ATOM 265 C TRP A 16 -6.528 9.828 7.926 1.00 0.00 C ATOM 266 O TRP A 16 -7.612 9.958 8.489 1.00 0.00 O ATOM 267 CB TRP A 16 -6.124 9.559 5.477 1.00 0.00 C ATOM 268 CG TRP A 16 -7.336 8.687 5.317 1.00 0.00 C ATOM 269 CD1 TRP A 16 -8.472 8.987 4.628 1.00 0.00 C ATOM 270 CD2 TRP A 16 -7.527 7.371 5.853 1.00 0.00 C ATOM 271 NE1 TRP A 16 -9.362 7.944 4.707 1.00 0.00 N ATOM 272 CE2 TRP A 16 -8.803 6.939 5.453 1.00 0.00 C ATOM 273 CE3 TRP A 16 -6.743 6.519 6.634 1.00 0.00 C ATOM 274 CZ2 TRP A 16 -9.312 5.692 5.808 1.00 0.00 C ATOM 275 CZ3 TRP A 16 -7.247 5.283 6.986 1.00 0.00 C ATOM 276 CH2 TRP A 16 -8.521 4.879 6.573 1.00 0.00 C ATOM 0 H TRP A 16 -4.295 11.114 6.064 1.00 0.00 H new ATOM 0 HA TRP A 16 -7.056 11.251 6.421 1.00 0.00 H new ATOM 0 HB2 TRP A 16 -5.954 10.103 4.548 1.00 0.00 H new ATOM 0 HB3 TRP A 16 -5.251 8.927 5.641 1.00 0.00 H new ATOM 0 HD1 TRP A 16 -8.647 9.911 4.097 1.00 0.00 H new ATOM 0 HE1 TRP A 16 -10.288 7.921 4.280 1.00 0.00 H new ATOM 0 HE3 TRP A 16 -5.758 6.822 6.957 1.00 0.00 H new ATOM 0 HZ2 TRP A 16 -10.296 5.378 5.491 1.00 0.00 H new ATOM 0 HZ3 TRP A 16 -6.648 4.617 7.590 1.00 0.00 H new ATOM 0 HH2 TRP A 16 -8.888 3.906 6.864 1.00 0.00 H new ATOM 541 N SER A 32 1.350 -2.472 13.993 1.00 0.00 N ATOM 542 CA SER A 32 1.805 -2.993 12.715 1.00 0.00 C ATOM 543 C SER A 32 1.442 -2.053 11.569 1.00 0.00 C ATOM 544 O SER A 32 2.280 -1.738 10.727 1.00 0.00 O ATOM 545 CB SER A 32 1.167 -4.359 12.475 1.00 0.00 C ATOM 546 OG SER A 32 1.303 -5.190 13.618 1.00 0.00 O ATOM 0 HA SER A 32 2.891 -3.082 12.747 1.00 0.00 H new ATOM 0 HB2 SER A 32 0.111 -4.234 12.235 1.00 0.00 H new ATOM 0 HB3 SER A 32 1.635 -4.837 11.615 1.00 0.00 H new ATOM 0 HG SER A 32 1.177 -4.654 14.429 1.00 0.00 H new ATOM 552 N TYR A 33 0.190 -1.601 11.588 1.00 0.00 N ATOM 553 CA TYR A 33 -0.433 -0.874 10.478 1.00 0.00 C ATOM 554 C TYR A 33 0.478 0.197 9.875 1.00 0.00 C ATOM 555 O TYR A 33 0.826 0.133 8.695 1.00 0.00 O ATOM 556 CB TYR A 33 -1.733 -0.234 10.979 1.00 0.00 C ATOM 557 CG TYR A 33 -2.601 0.369 9.897 1.00 0.00 C ATOM 558 CD1 TYR A 33 -2.395 1.668 9.446 1.00 0.00 C ATOM 559 CD2 TYR A 33 -3.637 -0.363 9.334 1.00 0.00 C ATOM 560 CE1 TYR A 33 -3.195 2.218 8.463 1.00 0.00 C ATOM 561 CE2 TYR A 33 -4.444 0.180 8.351 1.00 0.00 C ATOM 562 CZ TYR A 33 -4.217 1.469 7.919 1.00 0.00 C ATOM 563 OH TYR A 33 -5.021 2.012 6.943 1.00 0.00 O ATOM 0 H TYR A 33 -0.432 -1.730 12.386 1.00 0.00 H new ATOM 0 HA TYR A 33 -0.632 -1.591 9.682 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -2.312 -0.989 11.511 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -1.484 0.544 11.701 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -1.596 2.257 9.871 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -3.816 -1.374 9.669 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -3.021 3.228 8.123 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -5.247 -0.402 7.924 1.00 0.00 H new ATOM 0 HH TYR A 33 -5.691 1.352 6.667 1.00 0.00 H new ATOM 573 N GLU A 34 0.868 1.168 10.683 1.00 0.00 N ATOM 574 CA GLU A 34 1.626 2.307 10.183 1.00 0.00 C ATOM 575 C GLU A 34 3.059 1.916 9.831 1.00 0.00 C ATOM 576 O GLU A 34 3.608 2.381 8.833 1.00 0.00 O ATOM 577 CB GLU A 34 1.596 3.472 11.190 1.00 0.00 C ATOM 578 CG GLU A 34 1.353 3.061 12.640 1.00 0.00 C ATOM 579 CD GLU A 34 2.528 2.342 13.268 1.00 0.00 C ATOM 580 OE1 GLU A 34 2.622 1.109 13.115 1.00 0.00 O ATOM 581 OE2 GLU A 34 3.362 3.009 13.923 1.00 0.00 O ATOM 0 H GLU A 34 0.674 1.193 11.684 1.00 0.00 H new ATOM 0 HA GLU A 34 1.148 2.645 9.264 1.00 0.00 H new ATOM 0 HB2 GLU A 34 2.544 4.007 11.133 1.00 0.00 H new ATOM 0 HB3 GLU A 34 0.816 4.172 10.890 1.00 0.00 H new ATOM 0 HG2 GLU A 34 1.124 3.950 13.228 1.00 0.00 H new ATOM 0 HG3 GLU A 34 0.476 2.415 12.684 1.00 0.00 H new ATOM 588 N THR A 35 3.638 1.034 10.630 1.00 0.00 N ATOM 589 CA THR A 35 5.017 0.616 10.445 1.00 0.00 C ATOM 590 C THR A 35 5.200 -0.171 9.148 1.00 0.00 C ATOM 591 O THR A 35 6.119 0.102 8.376 1.00 0.00 O ATOM 592 CB THR A 35 5.494 -0.242 11.632 1.00 0.00 C ATOM 593 OG1 THR A 35 5.211 0.429 12.867 1.00 0.00 O ATOM 594 CG2 THR A 35 6.989 -0.519 11.534 1.00 0.00 C ATOM 0 H THR A 35 3.169 0.591 11.420 1.00 0.00 H new ATOM 0 HA THR A 35 5.618 1.523 10.388 1.00 0.00 H new ATOM 0 HB THR A 35 4.960 -1.192 11.602 1.00 0.00 H new ATOM 0 HG1 THR A 35 4.241 0.485 12.994 1.00 0.00 H new ATOM 0 HG21 THR A 35 7.303 -1.126 12.383 1.00 0.00 H new ATOM 0 HG22 THR A 35 7.200 -1.053 10.608 1.00 0.00 H new ATOM 0 HG23 THR A 35 7.535 0.424 11.541 1.00 0.00 H new ATOM 602 N VAL A 36 4.322 -1.141 8.901 1.00 0.00 N ATOM 603 CA VAL A 36 4.478 -2.024 7.750 1.00 0.00 C ATOM 604 C VAL A 36 4.327 -1.265 6.432 1.00 0.00 C ATOM 605 O VAL A 36 5.076 -1.511 5.480 1.00 0.00 O ATOM 606 CB VAL A 36 3.502 -3.225 7.791 1.00 0.00 C ATOM 607 CG1 VAL A 36 3.791 -4.109 8.995 1.00 0.00 C ATOM 608 CG2 VAL A 36 2.050 -2.771 7.800 1.00 0.00 C ATOM 0 H VAL A 36 3.503 -1.334 9.477 1.00 0.00 H new ATOM 0 HA VAL A 36 5.492 -2.419 7.807 1.00 0.00 H new ATOM 0 HB VAL A 36 3.660 -3.806 6.883 1.00 0.00 H new ATOM 0 HG11 VAL A 36 3.095 -4.947 9.006 1.00 0.00 H new ATOM 0 HG12 VAL A 36 4.812 -4.486 8.933 1.00 0.00 H new ATOM 0 HG13 VAL A 36 3.674 -3.528 9.910 1.00 0.00 H new ATOM 0 HG21 VAL A 36 1.396 -3.643 7.829 1.00 0.00 H new ATOM 0 HG22 VAL A 36 1.868 -2.152 8.678 1.00 0.00 H new ATOM 0 HG23 VAL A 36 1.844 -2.193 6.899 1.00 0.00 H new ATOM 618 N LEU A 37 3.379 -0.332 6.389 1.00 0.00 N ATOM 619 CA LEU A 37 3.179 0.503 5.210 1.00 0.00 C ATOM 620 C LEU A 37 4.367 1.430 5.016 1.00 0.00 C ATOM 621 O LEU A 37 5.008 1.416 3.967 1.00 0.00 O ATOM 622 CB LEU A 37 1.887 1.322 5.326 1.00 0.00 C ATOM 623 CG LEU A 37 0.638 0.675 4.716 1.00 0.00 C ATOM 624 CD1 LEU A 37 0.372 -0.681 5.339 1.00 0.00 C ATOM 625 CD2 LEU A 37 -0.572 1.580 4.890 1.00 0.00 C ATOM 0 H LEU A 37 2.738 -0.136 7.158 1.00 0.00 H new ATOM 0 HA LEU A 37 3.091 -0.152 4.343 1.00 0.00 H new ATOM 0 HB2 LEU A 37 1.695 1.518 6.381 1.00 0.00 H new ATOM 0 HB3 LEU A 37 2.045 2.288 4.846 1.00 0.00 H new ATOM 0 HG LEU A 37 0.819 0.534 3.650 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -0.519 -1.119 4.890 1.00 0.00 H new ATOM 0 HD12 LEU A 37 1.226 -1.335 5.164 1.00 0.00 H new ATOM 0 HD13 LEU A 37 0.217 -0.565 6.412 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -1.449 1.104 4.451 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -0.747 1.753 5.952 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -0.389 2.532 4.392 1.00 0.00 H new ATOM 637 N ARG A 38 4.660 2.215 6.045 1.00 0.00 N ATOM 638 CA ARG A 38 5.789 3.136 6.034 1.00 0.00 C ATOM 639 C ARG A 38 7.054 2.448 5.538 1.00 0.00 C ATOM 640 O ARG A 38 7.573 2.760 4.464 1.00 0.00 O ATOM 641 CB ARG A 38 6.017 3.656 7.453 1.00 0.00 C ATOM 642 CG ARG A 38 7.321 4.407 7.646 1.00 0.00 C ATOM 643 CD ARG A 38 7.245 5.818 7.088 1.00 0.00 C ATOM 644 NE ARG A 38 8.449 6.590 7.385 1.00 0.00 N ATOM 645 CZ ARG A 38 8.615 7.866 7.047 1.00 0.00 C ATOM 646 NH1 ARG A 38 7.664 8.502 6.370 1.00 0.00 N ATOM 647 NH2 ARG A 38 9.725 8.505 7.385 1.00 0.00 N ATOM 0 H ARG A 38 4.121 2.231 6.911 1.00 0.00 H new ATOM 0 HA ARG A 38 5.562 3.960 5.358 1.00 0.00 H new ATOM 0 HB2 ARG A 38 5.190 4.313 7.723 1.00 0.00 H new ATOM 0 HB3 ARG A 38 5.992 2.813 8.144 1.00 0.00 H new ATOM 0 HG2 ARG A 38 7.563 4.448 8.708 1.00 0.00 H new ATOM 0 HG3 ARG A 38 8.129 3.865 7.155 1.00 0.00 H new ATOM 0 HD2 ARG A 38 7.100 5.774 6.009 1.00 0.00 H new ATOM 0 HD3 ARG A 38 6.376 6.327 7.506 1.00 0.00 H new ATOM 0 HE ARG A 38 9.208 6.123 7.881 1.00 0.00 H new ATOM 0 HH11 ARG A 38 6.808 8.012 6.110 1.00 0.00 H new ATOM 0 HH12 ARG A 38 7.790 9.480 6.110 1.00 0.00 H new ATOM 0 HH21 ARG A 38 10.455 8.019 7.906 1.00 0.00 H new ATOM 0 HH22 ARG A 38 9.850 9.483 7.125 1.00 0.00 H new ATOM 661 N LEU A 39 7.502 1.491 6.332 1.00 0.00 N ATOM 662 CA LEU A 39 8.752 0.779 6.107 1.00 0.00 C ATOM 663 C LEU A 39 8.854 0.184 4.701 1.00 0.00 C ATOM 664 O LEU A 39 9.902 0.268 4.064 1.00 0.00 O ATOM 665 CB LEU A 39 8.868 -0.332 7.146 1.00 0.00 C ATOM 666 CG LEU A 39 10.140 -1.172 7.089 1.00 0.00 C ATOM 667 CD1 LEU A 39 11.337 -0.349 7.536 1.00 0.00 C ATOM 668 CD2 LEU A 39 9.981 -2.417 7.948 1.00 0.00 C ATOM 0 H LEU A 39 7.001 1.181 7.165 1.00 0.00 H new ATOM 0 HA LEU A 39 9.568 1.495 6.202 1.00 0.00 H new ATOM 0 HB2 LEU A 39 8.796 0.116 8.137 1.00 0.00 H new ATOM 0 HB3 LEU A 39 8.012 -0.997 7.034 1.00 0.00 H new ATOM 0 HG LEU A 39 10.313 -1.486 6.060 1.00 0.00 H new ATOM 0 HD11 LEU A 39 12.237 -0.962 7.490 1.00 0.00 H new ATOM 0 HD12 LEU A 39 11.451 0.514 6.879 1.00 0.00 H new ATOM 0 HD13 LEU A 39 11.182 -0.008 8.560 1.00 0.00 H new ATOM 0 HD21 LEU A 39 10.894 -3.010 7.901 1.00 0.00 H new ATOM 0 HD22 LEU A 39 9.791 -2.125 8.981 1.00 0.00 H new ATOM 0 HD23 LEU A 39 9.144 -3.009 7.579 1.00 0.00 H new ATOM 680 N HIS A 40 7.775 -0.414 4.212 1.00 0.00 N ATOM 681 CA HIS A 40 7.853 -1.179 2.971 1.00 0.00 C ATOM 682 C HIS A 40 7.356 -0.412 1.755 1.00 0.00 C ATOM 683 O HIS A 40 8.092 -0.256 0.781 1.00 0.00 O ATOM 684 CB HIS A 40 7.092 -2.500 3.095 1.00 0.00 C ATOM 685 CG HIS A 40 7.819 -3.528 3.901 1.00 0.00 C ATOM 686 ND1 HIS A 40 7.475 -3.858 5.195 1.00 0.00 N ATOM 687 CD2 HIS A 40 8.880 -4.305 3.586 1.00 0.00 C ATOM 688 CE1 HIS A 40 8.299 -4.792 5.640 1.00 0.00 C ATOM 689 NE2 HIS A 40 9.160 -5.081 4.683 1.00 0.00 N ATOM 0 H HIS A 40 6.852 -0.387 4.645 1.00 0.00 H new ATOM 0 HA HIS A 40 8.913 -1.378 2.812 1.00 0.00 H new ATOM 0 HB2 HIS A 40 6.121 -2.310 3.552 1.00 0.00 H new ATOM 0 HB3 HIS A 40 6.903 -2.897 2.098 1.00 0.00 H new ATOM 0 HD2 HIS A 40 9.409 -4.313 2.645 1.00 0.00 H new ATOM 0 HE1 HIS A 40 8.272 -5.242 6.621 1.00 0.00 H new ATOM 0 HE2 HIS A 40 9.911 -5.768 4.748 1.00 0.00 H new ATOM 698 N VAL A 41 6.124 0.069 1.797 1.00 0.00 N ATOM 699 CA VAL A 41 5.497 0.579 0.586 1.00 0.00 C ATOM 700 C VAL A 41 5.613 2.094 0.437 1.00 0.00 C ATOM 701 O VAL A 41 5.379 2.611 -0.647 1.00 0.00 O ATOM 702 CB VAL A 41 4.012 0.162 0.473 1.00 0.00 C ATOM 703 CG1 VAL A 41 3.874 -1.350 0.531 1.00 0.00 C ATOM 704 CG2 VAL A 41 3.165 0.815 1.551 1.00 0.00 C ATOM 0 H VAL A 41 5.547 0.118 2.637 1.00 0.00 H new ATOM 0 HA VAL A 41 6.056 0.120 -0.229 1.00 0.00 H new ATOM 0 HB VAL A 41 3.645 0.510 -0.493 1.00 0.00 H new ATOM 0 HG11 VAL A 41 2.822 -1.623 0.450 1.00 0.00 H new ATOM 0 HG12 VAL A 41 4.430 -1.798 -0.293 1.00 0.00 H new ATOM 0 HG13 VAL A 41 4.272 -1.716 1.478 1.00 0.00 H new ATOM 0 HG21 VAL A 41 2.128 0.499 1.440 1.00 0.00 H new ATOM 0 HG22 VAL A 41 3.532 0.517 2.533 1.00 0.00 H new ATOM 0 HG23 VAL A 41 3.226 1.899 1.455 1.00 0.00 H new ATOM 714 N ILE A 42 5.985 2.810 1.491 1.00 0.00 N ATOM 715 CA ILE A 42 6.091 4.270 1.396 1.00 0.00 C ATOM 716 C ILE A 42 7.262 4.715 0.493 1.00 0.00 C ATOM 717 O ILE A 42 7.066 5.555 -0.386 1.00 0.00 O ATOM 718 CB ILE A 42 6.156 4.946 2.796 1.00 0.00 C ATOM 719 CG1 ILE A 42 4.757 5.407 3.229 1.00 0.00 C ATOM 720 CG2 ILE A 42 7.116 6.130 2.813 1.00 0.00 C ATOM 721 CD1 ILE A 42 3.705 4.320 3.217 1.00 0.00 C ATOM 0 H ILE A 42 6.215 2.419 2.405 1.00 0.00 H new ATOM 0 HA ILE A 42 5.174 4.614 0.917 1.00 0.00 H new ATOM 0 HB ILE A 42 6.530 4.202 3.499 1.00 0.00 H new ATOM 0 HG12 ILE A 42 4.821 5.822 4.235 1.00 0.00 H new ATOM 0 HG13 ILE A 42 4.435 6.214 2.571 1.00 0.00 H new ATOM 0 HG21 ILE A 42 7.131 6.572 3.809 1.00 0.00 H new ATOM 0 HG22 ILE A 42 8.118 5.790 2.552 1.00 0.00 H new ATOM 0 HG23 ILE A 42 6.787 6.876 2.090 1.00 0.00 H new ATOM 0 HD11 ILE A 42 2.749 4.735 3.536 1.00 0.00 H new ATOM 0 HD12 ILE A 42 3.607 3.919 2.208 1.00 0.00 H new ATOM 0 HD13 ILE A 42 3.999 3.521 3.898 1.00 0.00 H new ATOM 733 N PRO A 43 8.485 4.163 0.661 1.00 0.00 N ATOM 734 CA PRO A 43 9.628 4.539 -0.182 1.00 0.00 C ATOM 735 C PRO A 43 9.527 3.966 -1.596 1.00 0.00 C ATOM 736 O PRO A 43 10.308 4.323 -2.478 1.00 0.00 O ATOM 737 CB PRO A 43 10.843 3.937 0.545 1.00 0.00 C ATOM 738 CG PRO A 43 10.334 3.460 1.867 1.00 0.00 C ATOM 739 CD PRO A 43 8.876 3.171 1.670 1.00 0.00 C ATOM 0 HA PRO A 43 9.685 5.620 -0.311 1.00 0.00 H new ATOM 0 HB2 PRO A 43 11.273 3.115 -0.028 1.00 0.00 H new ATOM 0 HB3 PRO A 43 11.629 4.681 0.674 1.00 0.00 H new ATOM 0 HG2 PRO A 43 10.868 2.567 2.191 1.00 0.00 H new ATOM 0 HG3 PRO A 43 10.481 4.217 2.638 1.00 0.00 H new ATOM 0 HD2 PRO A 43 8.708 2.152 1.322 1.00 0.00 H new ATOM 0 HD3 PRO A 43 8.311 3.289 2.595 1.00 0.00 H new ATOM 747 N THR A 44 8.568 3.076 -1.809 1.00 0.00 N ATOM 748 CA THR A 44 8.407 2.425 -3.100 1.00 0.00 C ATOM 749 C THR A 44 7.181 2.947 -3.848 1.00 0.00 C ATOM 750 O THR A 44 7.305 3.612 -4.877 1.00 0.00 O ATOM 751 CB THR A 44 8.301 0.900 -2.928 1.00 0.00 C ATOM 752 OG1 THR A 44 7.416 0.596 -1.841 1.00 0.00 O ATOM 753 CG2 THR A 44 9.667 0.290 -2.660 1.00 0.00 C ATOM 0 H THR A 44 7.890 2.789 -1.104 1.00 0.00 H new ATOM 0 HA THR A 44 9.291 2.660 -3.693 1.00 0.00 H new ATOM 0 HB THR A 44 7.907 0.475 -3.851 1.00 0.00 H new ATOM 0 HG1 THR A 44 7.939 0.311 -1.063 1.00 0.00 H new ATOM 0 HG21 THR A 44 9.567 -0.789 -2.542 1.00 0.00 H new ATOM 0 HG22 THR A 44 10.331 0.503 -3.497 1.00 0.00 H new ATOM 0 HG23 THR A 44 10.084 0.718 -1.748 1.00 0.00 H new ATOM 761 N LEU A 45 6.002 2.657 -3.313 1.00 0.00 N ATOM 762 CA LEU A 45 4.747 3.018 -3.965 1.00 0.00 C ATOM 763 C LEU A 45 4.183 4.313 -3.389 1.00 0.00 C ATOM 764 O LEU A 45 3.502 5.066 -4.081 1.00 0.00 O ATOM 765 CB LEU A 45 3.722 1.890 -3.792 1.00 0.00 C ATOM 766 CG LEU A 45 4.181 0.506 -4.260 1.00 0.00 C ATOM 767 CD1 LEU A 45 3.103 -0.535 -3.995 1.00 0.00 C ATOM 768 CD2 LEU A 45 4.547 0.535 -5.735 1.00 0.00 C ATOM 0 H LEU A 45 5.887 2.170 -2.424 1.00 0.00 H new ATOM 0 HA LEU A 45 4.949 3.169 -5.025 1.00 0.00 H new ATOM 0 HB2 LEU A 45 3.451 1.827 -2.738 1.00 0.00 H new ATOM 0 HB3 LEU A 45 2.817 2.158 -4.338 1.00 0.00 H new ATOM 0 HG LEU A 45 5.069 0.230 -3.692 1.00 0.00 H new ATOM 0 HD11 LEU A 45 3.449 -1.511 -4.335 1.00 0.00 H new ATOM 0 HD12 LEU A 45 2.892 -0.576 -2.926 1.00 0.00 H new ATOM 0 HD13 LEU A 45 2.195 -0.264 -4.534 1.00 0.00 H new ATOM 0 HD21 LEU A 45 4.871 -0.457 -6.049 1.00 0.00 H new ATOM 0 HD22 LEU A 45 3.677 0.835 -6.320 1.00 0.00 H new ATOM 0 HD23 LEU A 45 5.356 1.248 -5.895 1.00 0.00 H new ATOM 780 N GLY A 46 4.484 4.565 -2.121 1.00 0.00 N ATOM 781 CA GLY A 46 3.965 5.732 -1.431 1.00 0.00 C ATOM 782 C GLY A 46 4.506 7.029 -1.986 1.00 0.00 C ATOM 783 O GLY A 46 3.903 8.085 -1.806 1.00 0.00 O ATOM 0 H GLY A 46 5.087 3.972 -1.551 1.00 0.00 H new ATOM 0 HA2 GLY A 46 2.877 5.737 -1.503 1.00 0.00 H new ATOM 0 HA3 GLY A 46 4.214 5.663 -0.372 1.00 0.00 H new ATOM 787 N SER A 47 5.640 6.945 -2.664 1.00 0.00 N ATOM 788 CA SER A 47 6.252 8.111 -3.281 1.00 0.00 C ATOM 789 C SER A 47 5.641 8.370 -4.655 1.00 0.00 C ATOM 790 O SER A 47 5.960 9.359 -5.316 1.00 0.00 O ATOM 791 CB SER A 47 7.761 7.900 -3.403 1.00 0.00 C ATOM 792 OG SER A 47 8.327 7.564 -2.143 1.00 0.00 O ATOM 0 H SER A 47 6.157 6.077 -2.801 1.00 0.00 H new ATOM 0 HA SER A 47 6.064 8.982 -2.652 1.00 0.00 H new ATOM 0 HB2 SER A 47 7.965 7.106 -4.122 1.00 0.00 H new ATOM 0 HB3 SER A 47 8.230 8.806 -3.787 1.00 0.00 H new ATOM 0 HG SER A 47 7.869 6.779 -1.778 1.00 0.00 H new ATOM 798 N ILE A 48 4.753 7.477 -5.070 1.00 0.00 N ATOM 799 CA ILE A 48 4.096 7.581 -6.361 1.00 0.00 C ATOM 800 C ILE A 48 2.662 8.074 -6.182 1.00 0.00 C ATOM 801 O ILE A 48 1.946 7.599 -5.300 1.00 0.00 O ATOM 802 CB ILE A 48 4.076 6.212 -7.087 1.00 0.00 C ATOM 803 CG1 ILE A 48 5.498 5.660 -7.228 1.00 0.00 C ATOM 804 CG2 ILE A 48 3.414 6.329 -8.455 1.00 0.00 C ATOM 805 CD1 ILE A 48 5.559 4.306 -7.903 1.00 0.00 C ATOM 0 H ILE A 48 4.470 6.664 -4.522 1.00 0.00 H new ATOM 0 HA ILE A 48 4.658 8.292 -6.966 1.00 0.00 H new ATOM 0 HB ILE A 48 3.490 5.518 -6.484 1.00 0.00 H new ATOM 0 HG12 ILE A 48 6.099 6.368 -7.799 1.00 0.00 H new ATOM 0 HG13 ILE A 48 5.949 5.584 -6.239 1.00 0.00 H new ATOM 0 HG21 ILE A 48 3.413 5.354 -8.943 1.00 0.00 H new ATOM 0 HG22 ILE A 48 2.388 6.675 -8.334 1.00 0.00 H new ATOM 0 HG23 ILE A 48 3.967 7.041 -9.067 1.00 0.00 H new ATOM 0 HD11 ILE A 48 6.597 3.978 -7.968 1.00 0.00 H new ATOM 0 HD12 ILE A 48 4.986 3.584 -7.322 1.00 0.00 H new ATOM 0 HD13 ILE A 48 5.138 4.380 -8.906 1.00 0.00 H new ATOM 817 N PRO A 49 2.235 9.057 -6.990 1.00 0.00 N ATOM 818 CA PRO A 49 0.845 9.514 -6.999 1.00 0.00 C ATOM 819 C PRO A 49 -0.116 8.377 -7.339 1.00 0.00 C ATOM 820 O PRO A 49 0.201 7.503 -8.151 1.00 0.00 O ATOM 821 CB PRO A 49 0.818 10.584 -8.095 1.00 0.00 C ATOM 822 CG PRO A 49 2.235 11.027 -8.229 1.00 0.00 C ATOM 823 CD PRO A 49 3.070 9.816 -7.938 1.00 0.00 C ATOM 0 HA PRO A 49 0.528 9.888 -6.025 1.00 0.00 H new ATOM 0 HB2 PRO A 49 0.440 10.179 -9.034 1.00 0.00 H new ATOM 0 HB3 PRO A 49 0.168 11.415 -7.821 1.00 0.00 H new ATOM 0 HG2 PRO A 49 2.433 11.407 -9.231 1.00 0.00 H new ATOM 0 HG3 PRO A 49 2.460 11.834 -7.532 1.00 0.00 H new ATOM 0 HD2 PRO A 49 3.278 9.243 -8.841 1.00 0.00 H new ATOM 0 HD3 PRO A 49 4.032 10.085 -7.503 1.00 0.00 H new ATOM 831 N LEU A 50 -1.295 8.405 -6.736 1.00 0.00 N ATOM 832 CA LEU A 50 -2.277 7.337 -6.897 1.00 0.00 C ATOM 833 C LEU A 50 -2.766 7.246 -8.337 1.00 0.00 C ATOM 834 O LEU A 50 -3.230 6.202 -8.786 1.00 0.00 O ATOM 835 CB LEU A 50 -3.459 7.573 -5.961 1.00 0.00 C ATOM 836 CG LEU A 50 -3.133 7.472 -4.472 1.00 0.00 C ATOM 837 CD1 LEU A 50 -4.351 7.819 -3.639 1.00 0.00 C ATOM 838 CD2 LEU A 50 -2.639 6.075 -4.128 1.00 0.00 C ATOM 0 H LEU A 50 -1.599 9.163 -6.124 1.00 0.00 H new ATOM 0 HA LEU A 50 -1.794 6.393 -6.644 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -3.870 8.562 -6.161 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -4.240 6.850 -6.197 1.00 0.00 H new ATOM 0 HG LEU A 50 -2.341 8.185 -4.244 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -4.102 7.742 -2.581 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -4.668 8.837 -3.864 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -5.160 7.127 -3.872 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -2.412 6.021 -3.063 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -3.412 5.346 -4.371 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -1.739 5.855 -4.703 1.00 0.00 H new ATOM 850 N LYS A 51 -2.633 8.347 -9.060 1.00 0.00 N ATOM 851 CA LYS A 51 -3.066 8.416 -10.452 1.00 0.00 C ATOM 852 C LYS A 51 -2.092 7.681 -11.373 1.00 0.00 C ATOM 853 O LYS A 51 -2.297 7.618 -12.585 1.00 0.00 O ATOM 854 CB LYS A 51 -3.191 9.877 -10.887 1.00 0.00 C ATOM 855 CG LYS A 51 -4.115 10.703 -10.001 1.00 0.00 C ATOM 856 CD LYS A 51 -5.553 10.205 -10.056 1.00 0.00 C ATOM 857 CE LYS A 51 -6.459 11.019 -9.141 1.00 0.00 C ATOM 858 NZ LYS A 51 -6.488 12.456 -9.524 1.00 0.00 N ATOM 0 H LYS A 51 -2.226 9.212 -8.705 1.00 0.00 H new ATOM 0 HA LYS A 51 -4.038 7.929 -10.528 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -2.201 10.332 -10.888 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -3.559 9.911 -11.912 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -3.758 10.667 -8.972 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -4.080 11.746 -10.314 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -5.921 10.263 -11.080 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -5.587 9.155 -9.764 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -7.470 10.613 -9.177 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -6.114 10.925 -8.111 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -7.270 12.931 -9.030 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -5.588 12.904 -9.259 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -6.626 12.539 -10.551 1.00 0.00 H new ATOM 872 N LYS A 52 -1.024 7.141 -10.794 1.00 0.00 N ATOM 873 CA LYS A 52 -0.035 6.389 -11.558 1.00 0.00 C ATOM 874 C LYS A 52 0.150 4.985 -10.974 1.00 0.00 C ATOM 875 O LYS A 52 0.717 4.104 -11.620 1.00 0.00 O ATOM 876 CB LYS A 52 1.306 7.137 -11.560 1.00 0.00 C ATOM 877 CG LYS A 52 2.394 6.458 -12.381 1.00 0.00 C ATOM 878 CD LYS A 52 3.720 7.196 -12.285 1.00 0.00 C ATOM 879 CE LYS A 52 3.634 8.590 -12.881 1.00 0.00 C ATOM 880 NZ LYS A 52 4.954 9.273 -12.884 1.00 0.00 N ATOM 0 H LYS A 52 -0.821 7.210 -9.797 1.00 0.00 H new ATOM 0 HA LYS A 52 -0.393 6.291 -12.583 1.00 0.00 H new ATOM 0 HB2 LYS A 52 1.148 8.144 -11.947 1.00 0.00 H new ATOM 0 HB3 LYS A 52 1.653 7.242 -10.532 1.00 0.00 H new ATOM 0 HG2 LYS A 52 2.523 5.433 -12.035 1.00 0.00 H new ATOM 0 HG3 LYS A 52 2.082 6.406 -13.424 1.00 0.00 H new ATOM 0 HD2 LYS A 52 4.022 7.265 -11.240 1.00 0.00 H new ATOM 0 HD3 LYS A 52 4.491 6.626 -12.803 1.00 0.00 H new ATOM 0 HE2 LYS A 52 3.256 8.526 -13.901 1.00 0.00 H new ATOM 0 HE3 LYS A 52 2.919 9.185 -12.313 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 4.853 10.221 -13.299 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 5.304 9.357 -11.908 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 5.630 8.719 -13.447 1.00 0.00 H new ATOM 894 N LEU A 53 -0.344 4.787 -9.757 1.00 0.00 N ATOM 895 CA LEU A 53 -0.155 3.533 -9.034 1.00 0.00 C ATOM 896 C LEU A 53 -0.851 2.377 -9.760 1.00 0.00 C ATOM 897 O LEU A 53 -2.058 2.422 -10.006 1.00 0.00 O ATOM 898 CB LEU A 53 -0.685 3.689 -7.594 1.00 0.00 C ATOM 899 CG LEU A 53 -0.405 2.531 -6.618 1.00 0.00 C ATOM 900 CD1 LEU A 53 -1.392 1.390 -6.814 1.00 0.00 C ATOM 901 CD2 LEU A 53 1.023 2.026 -6.774 1.00 0.00 C ATOM 0 H LEU A 53 -0.883 5.486 -9.246 1.00 0.00 H new ATOM 0 HA LEU A 53 0.908 3.297 -8.993 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -0.258 4.599 -7.172 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -1.764 3.837 -7.644 1.00 0.00 H new ATOM 0 HG LEU A 53 -0.530 2.917 -5.606 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -1.167 0.589 -6.110 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -2.405 1.752 -6.640 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -1.312 1.011 -7.833 1.00 0.00 H new ATOM 0 HD21 LEU A 53 1.198 1.208 -6.075 1.00 0.00 H new ATOM 0 HD22 LEU A 53 1.174 1.670 -7.793 1.00 0.00 H new ATOM 0 HD23 LEU A 53 1.721 2.837 -6.566 1.00 0.00 H new ATOM 913 N GLN A 54 -0.079 1.351 -10.107 1.00 0.00 N ATOM 914 CA GLN A 54 -0.614 0.188 -10.802 1.00 0.00 C ATOM 915 C GLN A 54 -0.704 -1.002 -9.855 1.00 0.00 C ATOM 916 O GLN A 54 0.042 -1.083 -8.878 1.00 0.00 O ATOM 917 CB GLN A 54 0.288 -0.195 -11.975 1.00 0.00 C ATOM 918 CG GLN A 54 0.732 0.976 -12.824 1.00 0.00 C ATOM 919 CD GLN A 54 1.679 0.548 -13.923 1.00 0.00 C ATOM 920 OE1 GLN A 54 1.258 0.256 -15.044 1.00 0.00 O ATOM 921 NE2 GLN A 54 2.956 0.462 -13.593 1.00 0.00 N ATOM 0 H GLN A 54 0.922 1.303 -9.917 1.00 0.00 H new ATOM 0 HA GLN A 54 -1.608 0.446 -11.168 1.00 0.00 H new ATOM 0 HB2 GLN A 54 1.171 -0.705 -11.589 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -0.241 -0.908 -12.607 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -0.141 1.457 -13.264 1.00 0.00 H new ATOM 0 HG3 GLN A 54 1.220 1.718 -12.192 1.00 0.00 H new ATOM 0 HE21 GLN A 54 3.258 0.715 -12.652 1.00 0.00 H new ATOM 0 HE22 GLN A 54 3.640 0.143 -14.279 1.00 0.00 H new ATOM 930 N PRO A 55 -1.611 -1.947 -10.135 1.00 0.00 N ATOM 931 CA PRO A 55 -1.702 -3.197 -9.376 1.00 0.00 C ATOM 932 C PRO A 55 -0.453 -4.051 -9.567 1.00 0.00 C ATOM 933 O PRO A 55 -0.074 -4.831 -8.690 1.00 0.00 O ATOM 934 CB PRO A 55 -2.928 -3.896 -9.974 1.00 0.00 C ATOM 935 CG PRO A 55 -3.094 -3.292 -11.324 1.00 0.00 C ATOM 936 CD PRO A 55 -2.627 -1.870 -11.200 1.00 0.00 C ATOM 0 HA PRO A 55 -1.786 -3.028 -8.303 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -2.776 -4.973 -10.039 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -3.813 -3.736 -9.358 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -2.508 -3.832 -12.068 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -4.135 -3.335 -11.646 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -2.205 -1.501 -12.135 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -3.443 -1.199 -10.932 1.00 0.00 H new ATOM 944 N ALA A 56 0.185 -3.880 -10.721 1.00 0.00 N ATOM 945 CA ALA A 56 1.406 -4.601 -11.048 1.00 0.00 C ATOM 946 C ALA A 56 2.522 -4.238 -10.081 1.00 0.00 C ATOM 947 O ALA A 56 3.246 -5.107 -9.604 1.00 0.00 O ATOM 948 CB ALA A 56 1.827 -4.299 -12.480 1.00 0.00 C ATOM 0 H ALA A 56 -0.130 -3.241 -11.451 1.00 0.00 H new ATOM 0 HA ALA A 56 1.210 -5.669 -10.957 1.00 0.00 H new ATOM 0 HB1 ALA A 56 2.742 -4.844 -12.713 1.00 0.00 H new ATOM 0 HB2 ALA A 56 1.037 -4.607 -13.164 1.00 0.00 H new ATOM 0 HB3 ALA A 56 2.004 -3.229 -12.589 1.00 0.00 H new ATOM 954 N ASP A 57 2.636 -2.948 -9.781 1.00 0.00 N ATOM 955 CA ASP A 57 3.655 -2.456 -8.859 1.00 0.00 C ATOM 956 C ASP A 57 3.423 -3.018 -7.467 1.00 0.00 C ATOM 957 O ASP A 57 4.364 -3.354 -6.751 1.00 0.00 O ATOM 958 CB ASP A 57 3.643 -0.924 -8.803 1.00 0.00 C ATOM 959 CG ASP A 57 4.120 -0.284 -10.090 1.00 0.00 C ATOM 960 OD1 ASP A 57 5.349 -0.224 -10.310 1.00 0.00 O ATOM 961 OD2 ASP A 57 3.271 0.169 -10.881 1.00 0.00 O ATOM 0 H ASP A 57 2.032 -2.221 -10.165 1.00 0.00 H new ATOM 0 HA ASP A 57 4.628 -2.787 -9.223 1.00 0.00 H new ATOM 0 HB2 ASP A 57 2.631 -0.581 -8.586 1.00 0.00 H new ATOM 0 HB3 ASP A 57 4.276 -0.590 -7.981 1.00 0.00 H new ATOM 966 N ILE A 58 2.154 -3.122 -7.102 1.00 0.00 N ATOM 967 CA ILE A 58 1.756 -3.687 -5.820 1.00 0.00 C ATOM 968 C ILE A 58 2.254 -5.125 -5.683 1.00 0.00 C ATOM 969 O ILE A 58 2.999 -5.456 -4.752 1.00 0.00 O ATOM 970 CB ILE A 58 0.221 -3.645 -5.665 1.00 0.00 C ATOM 971 CG1 ILE A 58 -0.270 -2.198 -5.730 1.00 0.00 C ATOM 972 CG2 ILE A 58 -0.218 -4.296 -4.359 1.00 0.00 C ATOM 973 CD1 ILE A 58 -1.775 -2.064 -5.691 1.00 0.00 C ATOM 0 H ILE A 58 1.373 -2.818 -7.683 1.00 0.00 H new ATOM 0 HA ILE A 58 2.208 -3.086 -5.031 1.00 0.00 H new ATOM 0 HB ILE A 58 -0.222 -4.210 -6.485 1.00 0.00 H new ATOM 0 HG12 ILE A 58 0.157 -1.641 -4.896 1.00 0.00 H new ATOM 0 HG13 ILE A 58 0.103 -1.738 -6.645 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -1.304 -4.252 -4.277 1.00 0.00 H new ATOM 0 HG22 ILE A 58 0.105 -5.337 -4.345 1.00 0.00 H new ATOM 0 HG23 ILE A 58 0.231 -3.766 -3.519 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -2.048 -1.010 -5.741 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -2.209 -2.592 -6.540 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -2.155 -2.493 -4.764 1.00 0.00 H new ATOM 985 N GLN A 59 1.868 -5.966 -6.633 1.00 0.00 N ATOM 986 CA GLN A 59 2.244 -7.375 -6.602 1.00 0.00 C ATOM 987 C GLN A 59 3.758 -7.523 -6.758 1.00 0.00 C ATOM 988 O GLN A 59 4.376 -8.417 -6.173 1.00 0.00 O ATOM 989 CB GLN A 59 1.510 -8.143 -7.705 1.00 0.00 C ATOM 990 CG GLN A 59 1.689 -9.651 -7.622 1.00 0.00 C ATOM 991 CD GLN A 59 1.105 -10.249 -6.350 1.00 0.00 C ATOM 992 OE1 GLN A 59 0.111 -9.757 -5.806 1.00 0.00 O ATOM 993 NE2 GLN A 59 1.727 -11.315 -5.864 1.00 0.00 N ATOM 0 H GLN A 59 1.296 -5.699 -7.434 1.00 0.00 H new ATOM 0 HA GLN A 59 1.955 -7.795 -5.639 1.00 0.00 H new ATOM 0 HB2 GLN A 59 0.447 -7.909 -7.653 1.00 0.00 H new ATOM 0 HB3 GLN A 59 1.866 -7.797 -8.675 1.00 0.00 H new ATOM 0 HG2 GLN A 59 1.215 -10.116 -8.487 1.00 0.00 H new ATOM 0 HG3 GLN A 59 2.751 -9.889 -7.674 1.00 0.00 H new ATOM 0 HE21 GLN A 59 2.545 -11.691 -6.343 1.00 0.00 H new ATOM 0 HE22 GLN A 59 1.387 -11.759 -5.011 1.00 0.00 H new ATOM 1002 N ARG A 60 4.349 -6.630 -7.542 1.00 0.00 N ATOM 1003 CA ARG A 60 5.794 -6.601 -7.734 1.00 0.00 C ATOM 1004 C ARG A 60 6.508 -6.306 -6.417 1.00 0.00 C ATOM 1005 O ARG A 60 7.512 -6.939 -6.097 1.00 0.00 O ATOM 1006 CB ARG A 60 6.159 -5.547 -8.780 1.00 0.00 C ATOM 1007 CG ARG A 60 7.653 -5.354 -8.973 1.00 0.00 C ATOM 1008 CD ARG A 60 7.933 -4.273 -10.002 1.00 0.00 C ATOM 1009 NE ARG A 60 9.360 -3.994 -10.130 1.00 0.00 N ATOM 1010 CZ ARG A 60 9.911 -3.393 -11.182 1.00 0.00 C ATOM 1011 NH1 ARG A 60 9.155 -2.979 -12.193 1.00 0.00 N ATOM 1012 NH2 ARG A 60 11.219 -3.196 -11.220 1.00 0.00 N ATOM 0 H ARG A 60 3.845 -5.910 -8.059 1.00 0.00 H new ATOM 0 HA ARG A 60 6.117 -7.581 -8.086 1.00 0.00 H new ATOM 0 HB2 ARG A 60 5.714 -5.829 -9.734 1.00 0.00 H new ATOM 0 HB3 ARG A 60 5.715 -4.595 -8.490 1.00 0.00 H new ATOM 0 HG2 ARG A 60 8.114 -5.085 -8.023 1.00 0.00 H new ATOM 0 HG3 ARG A 60 8.106 -6.292 -9.293 1.00 0.00 H new ATOM 0 HD2 ARG A 60 7.536 -4.582 -10.969 1.00 0.00 H new ATOM 0 HD3 ARG A 60 7.409 -3.360 -9.720 1.00 0.00 H new ATOM 0 HE ARG A 60 9.973 -4.277 -9.366 1.00 0.00 H new ATOM 0 HH11 ARG A 60 8.145 -3.121 -12.166 1.00 0.00 H new ATOM 0 HH12 ARG A 60 9.584 -2.519 -12.996 1.00 0.00 H new ATOM 0 HH21 ARG A 60 11.804 -3.505 -10.444 1.00 0.00 H new ATOM 0 HH22 ARG A 60 11.642 -2.736 -12.026 1.00 0.00 H new ATOM 1026 N LEU A 61 5.975 -5.352 -5.658 1.00 0.00 N ATOM 1027 CA LEU A 61 6.550 -4.965 -4.373 1.00 0.00 C ATOM 1028 C LEU A 61 6.685 -6.183 -3.465 1.00 0.00 C ATOM 1029 O LEU A 61 7.752 -6.438 -2.901 1.00 0.00 O ATOM 1030 CB LEU A 61 5.673 -3.882 -3.715 1.00 0.00 C ATOM 1031 CG LEU A 61 6.232 -3.211 -2.443 1.00 0.00 C ATOM 1032 CD1 LEU A 61 6.046 -4.093 -1.214 1.00 0.00 C ATOM 1033 CD2 LEU A 61 7.703 -2.862 -2.625 1.00 0.00 C ATOM 0 H LEU A 61 5.138 -4.829 -5.914 1.00 0.00 H new ATOM 0 HA LEU A 61 7.546 -4.554 -4.535 1.00 0.00 H new ATOM 0 HB2 LEU A 61 5.483 -3.104 -4.454 1.00 0.00 H new ATOM 0 HB3 LEU A 61 4.710 -4.329 -3.468 1.00 0.00 H new ATOM 0 HG LEU A 61 5.668 -2.292 -2.282 1.00 0.00 H new ATOM 0 HD11 LEU A 61 6.452 -3.587 -0.338 1.00 0.00 H new ATOM 0 HD12 LEU A 61 4.984 -4.286 -1.062 1.00 0.00 H new ATOM 0 HD13 LEU A 61 6.569 -5.038 -1.362 1.00 0.00 H new ATOM 0 HD21 LEU A 61 8.080 -2.390 -1.718 1.00 0.00 H new ATOM 0 HD22 LEU A 61 8.271 -3.771 -2.824 1.00 0.00 H new ATOM 0 HD23 LEU A 61 7.813 -2.175 -3.464 1.00 0.00 H new ATOM 1045 N TYR A 62 5.604 -6.941 -3.340 1.00 0.00 N ATOM 1046 CA TYR A 62 5.608 -8.122 -2.484 1.00 0.00 C ATOM 1047 C TYR A 62 6.614 -9.152 -2.981 1.00 0.00 C ATOM 1048 O TYR A 62 7.411 -9.668 -2.206 1.00 0.00 O ATOM 1049 CB TYR A 62 4.219 -8.753 -2.416 1.00 0.00 C ATOM 1050 CG TYR A 62 3.138 -7.784 -2.015 1.00 0.00 C ATOM 1051 CD1 TYR A 62 3.253 -7.016 -0.860 1.00 0.00 C ATOM 1052 CD2 TYR A 62 2.009 -7.625 -2.799 1.00 0.00 C ATOM 1053 CE1 TYR A 62 2.265 -6.121 -0.504 1.00 0.00 C ATOM 1054 CE2 TYR A 62 1.020 -6.732 -2.449 1.00 0.00 C ATOM 1055 CZ TYR A 62 1.152 -5.982 -1.302 1.00 0.00 C ATOM 1056 OH TYR A 62 0.161 -5.094 -0.954 1.00 0.00 O ATOM 0 H TYR A 62 4.720 -6.762 -3.816 1.00 0.00 H new ATOM 0 HA TYR A 62 5.898 -7.800 -1.484 1.00 0.00 H new ATOM 0 HB2 TYR A 62 3.973 -9.177 -3.390 1.00 0.00 H new ATOM 0 HB3 TYR A 62 4.238 -9.579 -1.705 1.00 0.00 H new ATOM 0 HD1 TYR A 62 4.127 -7.122 -0.234 1.00 0.00 H new ATOM 0 HD2 TYR A 62 1.901 -8.211 -3.700 1.00 0.00 H new ATOM 0 HE1 TYR A 62 2.364 -5.533 0.396 1.00 0.00 H new ATOM 0 HE2 TYR A 62 0.145 -6.621 -3.072 1.00 0.00 H new ATOM 0 HH TYR A 62 -0.552 -5.120 -1.626 1.00 0.00 H new ATOM 1066 N ALA A 63 6.591 -9.422 -4.281 1.00 0.00 N ATOM 1067 CA ALA A 63 7.439 -10.455 -4.868 1.00 0.00 C ATOM 1068 C ALA A 63 8.920 -10.090 -4.787 1.00 0.00 C ATOM 1069 O ALA A 63 9.762 -10.940 -4.485 1.00 0.00 O ATOM 1070 CB ALA A 63 7.038 -10.707 -6.313 1.00 0.00 C ATOM 0 H ALA A 63 5.993 -8.939 -4.951 1.00 0.00 H new ATOM 0 HA ALA A 63 7.293 -11.367 -4.290 1.00 0.00 H new ATOM 0 HB1 ALA A 63 7.678 -11.479 -6.739 1.00 0.00 H new ATOM 0 HB2 ALA A 63 5.999 -11.035 -6.350 1.00 0.00 H new ATOM 0 HB3 ALA A 63 7.149 -9.787 -6.887 1.00 0.00 H new ATOM 1076 N SER A 64 9.235 -8.828 -5.040 1.00 0.00 N ATOM 1077 CA SER A 64 10.620 -8.380 -5.072 1.00 0.00 C ATOM 1078 C SER A 64 11.272 -8.484 -3.695 1.00 0.00 C ATOM 1079 O SER A 64 12.424 -8.906 -3.578 1.00 0.00 O ATOM 1080 CB SER A 64 10.707 -6.949 -5.610 1.00 0.00 C ATOM 1081 OG SER A 64 9.803 -6.092 -4.939 1.00 0.00 O ATOM 0 H SER A 64 8.550 -8.096 -5.226 1.00 0.00 H new ATOM 0 HA SER A 64 11.170 -9.037 -5.745 1.00 0.00 H new ATOM 0 HB2 SER A 64 11.724 -6.574 -5.490 1.00 0.00 H new ATOM 0 HB3 SER A 64 10.490 -6.946 -6.678 1.00 0.00 H new ATOM 0 HG SER A 64 8.895 -6.247 -5.274 1.00 0.00 H new ATOM 1087 N LYS A 65 10.537 -8.125 -2.646 1.00 0.00 N ATOM 1088 CA LYS A 65 11.086 -8.185 -1.297 1.00 0.00 C ATOM 1089 C LYS A 65 10.927 -9.592 -0.716 1.00 0.00 C ATOM 1090 O LYS A 65 11.615 -9.967 0.231 1.00 0.00 O ATOM 1091 CB LYS A 65 10.419 -7.138 -0.398 1.00 0.00 C ATOM 1092 CG LYS A 65 11.251 -6.758 0.821 1.00 0.00 C ATOM 1093 CD LYS A 65 12.635 -6.268 0.418 1.00 0.00 C ATOM 1094 CE LYS A 65 13.409 -5.726 1.609 1.00 0.00 C ATOM 1095 NZ LYS A 65 14.804 -5.355 1.244 1.00 0.00 N ATOM 0 H LYS A 65 9.574 -7.794 -2.703 1.00 0.00 H new ATOM 0 HA LYS A 65 12.151 -7.958 -1.344 1.00 0.00 H new ATOM 0 HB2 LYS A 65 10.220 -6.241 -0.985 1.00 0.00 H new ATOM 0 HB3 LYS A 65 9.455 -7.520 -0.064 1.00 0.00 H new ATOM 0 HG2 LYS A 65 10.738 -5.979 1.385 1.00 0.00 H new ATOM 0 HG3 LYS A 65 11.347 -7.620 1.481 1.00 0.00 H new ATOM 0 HD2 LYS A 65 13.193 -7.087 -0.036 1.00 0.00 H new ATOM 0 HD3 LYS A 65 12.539 -5.489 -0.339 1.00 0.00 H new ATOM 0 HE2 LYS A 65 12.894 -4.853 2.009 1.00 0.00 H new ATOM 0 HE3 LYS A 65 13.428 -6.475 2.401 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 15.297 -4.990 2.084 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 15.304 -6.194 0.886 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 14.787 -4.622 0.507 1.00 0.00 H new ATOM 1109 N LEU A 66 10.023 -10.369 -1.304 1.00 0.00 N ATOM 1110 CA LEU A 66 9.859 -11.776 -0.945 1.00 0.00 C ATOM 1111 C LEU A 66 11.103 -12.558 -1.349 1.00 0.00 C ATOM 1112 O LEU A 66 11.497 -13.521 -0.688 1.00 0.00 O ATOM 1113 CB LEU A 66 8.633 -12.361 -1.659 1.00 0.00 C ATOM 1114 CG LEU A 66 8.311 -13.822 -1.344 1.00 0.00 C ATOM 1115 CD1 LEU A 66 7.813 -13.962 0.084 1.00 0.00 C ATOM 1116 CD2 LEU A 66 7.284 -14.366 -2.326 1.00 0.00 C ATOM 0 H LEU A 66 9.389 -10.047 -2.035 1.00 0.00 H new ATOM 0 HA LEU A 66 9.716 -11.852 0.133 1.00 0.00 H new ATOM 0 HB2 LEU A 66 7.764 -11.754 -1.404 1.00 0.00 H new ATOM 0 HB3 LEU A 66 8.783 -12.266 -2.734 1.00 0.00 H new ATOM 0 HG LEU A 66 9.226 -14.406 -1.446 1.00 0.00 H new ATOM 0 HD11 LEU A 66 7.589 -15.009 0.290 1.00 0.00 H new ATOM 0 HD12 LEU A 66 8.582 -13.613 0.773 1.00 0.00 H new ATOM 0 HD13 LEU A 66 6.910 -13.365 0.215 1.00 0.00 H new ATOM 0 HD21 LEU A 66 7.067 -15.407 -2.086 1.00 0.00 H new ATOM 0 HD22 LEU A 66 6.368 -13.779 -2.257 1.00 0.00 H new ATOM 0 HD23 LEU A 66 7.680 -14.302 -3.339 1.00 0.00 H new ATOM 1128 N GLU A 67 11.719 -12.105 -2.434 1.00 0.00 N ATOM 1129 CA GLU A 67 12.878 -12.765 -3.028 1.00 0.00 C ATOM 1130 C GLU A 67 14.055 -12.847 -2.056 1.00 0.00 C ATOM 1131 O GLU A 67 14.745 -13.865 -1.991 1.00 0.00 O ATOM 1132 CB GLU A 67 13.304 -12.007 -4.287 1.00 0.00 C ATOM 1133 CG GLU A 67 14.538 -12.574 -4.964 1.00 0.00 C ATOM 1134 CD GLU A 67 15.100 -11.634 -6.002 1.00 0.00 C ATOM 1135 OE1 GLU A 67 15.898 -10.744 -5.632 1.00 0.00 O ATOM 1136 OE2 GLU A 67 14.752 -11.774 -7.190 1.00 0.00 O ATOM 0 H GLU A 67 11.427 -11.263 -2.931 1.00 0.00 H new ATOM 0 HA GLU A 67 12.587 -13.785 -3.279 1.00 0.00 H new ATOM 0 HB2 GLU A 67 12.478 -12.012 -4.998 1.00 0.00 H new ATOM 0 HB3 GLU A 67 13.493 -10.966 -4.025 1.00 0.00 H new ATOM 0 HG2 GLU A 67 15.300 -12.781 -4.213 1.00 0.00 H new ATOM 0 HG3 GLU A 67 14.288 -13.525 -5.434 1.00 0.00 H new ATOM 1143 N SER A 68 14.285 -11.775 -1.309 1.00 0.00 N ATOM 1144 CA SER A 68 15.444 -11.701 -0.431 1.00 0.00 C ATOM 1145 C SER A 68 15.300 -12.617 0.783 1.00 0.00 C ATOM 1146 O SER A 68 16.194 -13.417 1.070 1.00 0.00 O ATOM 1147 CB SER A 68 15.679 -10.255 0.005 1.00 0.00 C ATOM 1148 OG SER A 68 14.451 -9.606 0.289 1.00 0.00 O ATOM 0 H SER A 68 13.687 -10.949 -1.294 1.00 0.00 H new ATOM 0 HA SER A 68 16.311 -12.049 -0.992 1.00 0.00 H new ATOM 0 HB2 SER A 68 16.317 -10.237 0.888 1.00 0.00 H new ATOM 0 HB3 SER A 68 16.207 -9.715 -0.781 1.00 0.00 H new ATOM 0 HG SER A 68 14.626 -8.683 0.567 1.00 0.00 H new ATOM 1154 N GLY A 69 14.178 -12.523 1.481 1.00 0.00 N ATOM 1155 CA GLY A 69 13.996 -13.349 2.658 1.00 0.00 C ATOM 1156 C GLY A 69 12.726 -13.045 3.422 1.00 0.00 C ATOM 1157 O GLY A 69 12.727 -13.008 4.654 1.00 0.00 O ATOM 0 H GLY A 69 13.401 -11.900 1.259 1.00 0.00 H new ATOM 0 HA2 GLY A 69 13.987 -14.397 2.358 1.00 0.00 H new ATOM 0 HA3 GLY A 69 14.850 -13.214 3.322 1.00 0.00 H new ATOM 1161 N LEU A 70 11.644 -12.798 2.706 1.00 0.00 N ATOM 1162 CA LEU A 70 10.345 -12.656 3.340 1.00 0.00 C ATOM 1163 C LEU A 70 9.551 -13.946 3.194 1.00 0.00 C ATOM 1164 O LEU A 70 9.899 -14.812 2.391 1.00 0.00 O ATOM 1165 CB LEU A 70 9.560 -11.477 2.756 1.00 0.00 C ATOM 1166 CG LEU A 70 10.062 -10.091 3.172 1.00 0.00 C ATOM 1167 CD1 LEU A 70 9.183 -9.005 2.572 1.00 0.00 C ATOM 1168 CD2 LEU A 70 10.092 -9.966 4.687 1.00 0.00 C ATOM 0 H LEU A 70 11.638 -12.692 1.692 1.00 0.00 H new ATOM 0 HA LEU A 70 10.507 -12.452 4.398 1.00 0.00 H new ATOM 0 HB2 LEU A 70 9.588 -11.545 1.668 1.00 0.00 H new ATOM 0 HB3 LEU A 70 8.516 -11.573 3.054 1.00 0.00 H new ATOM 0 HG LEU A 70 11.077 -9.967 2.794 1.00 0.00 H new ATOM 0 HD11 LEU A 70 9.554 -8.027 2.878 1.00 0.00 H new ATOM 0 HD12 LEU A 70 9.205 -9.078 1.485 1.00 0.00 H new ATOM 0 HD13 LEU A 70 8.159 -9.131 2.923 1.00 0.00 H new ATOM 0 HD21 LEU A 70 10.451 -8.975 4.963 1.00 0.00 H new ATOM 0 HD22 LEU A 70 9.087 -10.112 5.084 1.00 0.00 H new ATOM 0 HD23 LEU A 70 10.759 -10.722 5.101 1.00 0.00 H new ATOM 1180 N SER A 71 8.493 -14.077 3.974 1.00 0.00 N ATOM 1181 CA SER A 71 7.620 -15.228 3.885 1.00 0.00 C ATOM 1182 C SER A 71 6.290 -14.821 3.256 1.00 0.00 C ATOM 1183 O SER A 71 5.875 -13.662 3.372 1.00 0.00 O ATOM 1184 CB SER A 71 7.399 -15.816 5.279 1.00 0.00 C ATOM 1185 OG SER A 71 6.913 -14.826 6.164 1.00 0.00 O ATOM 0 H SER A 71 8.218 -13.394 4.680 1.00 0.00 H new ATOM 0 HA SER A 71 8.083 -15.988 3.255 1.00 0.00 H new ATOM 0 HB2 SER A 71 6.690 -16.642 5.223 1.00 0.00 H new ATOM 0 HB3 SER A 71 8.335 -16.225 5.660 1.00 0.00 H new ATOM 0 HG SER A 71 6.896 -15.183 7.077 1.00 0.00 H new ATOM 1191 N PRO A 72 5.612 -15.758 2.572 1.00 0.00 N ATOM 1192 CA PRO A 72 4.324 -15.495 1.915 1.00 0.00 C ATOM 1193 C PRO A 72 3.264 -14.956 2.875 1.00 0.00 C ATOM 1194 O PRO A 72 2.326 -14.282 2.456 1.00 0.00 O ATOM 1195 CB PRO A 72 3.907 -16.866 1.376 1.00 0.00 C ATOM 1196 CG PRO A 72 5.182 -17.617 1.235 1.00 0.00 C ATOM 1197 CD PRO A 72 6.058 -17.146 2.362 1.00 0.00 C ATOM 0 HA PRO A 72 4.419 -14.728 1.146 1.00 0.00 H new ATOM 0 HB2 PRO A 72 3.224 -17.370 2.060 1.00 0.00 H new ATOM 0 HB3 PRO A 72 3.392 -16.776 0.420 1.00 0.00 H new ATOM 0 HG2 PRO A 72 5.012 -18.692 1.294 1.00 0.00 H new ATOM 0 HG3 PRO A 72 5.647 -17.421 0.269 1.00 0.00 H new ATOM 0 HD2 PRO A 72 5.924 -17.753 3.258 1.00 0.00 H new ATOM 0 HD3 PRO A 72 7.115 -17.195 2.099 1.00 0.00 H new ATOM 1205 N THR A 73 3.421 -15.243 4.161 1.00 0.00 N ATOM 1206 CA THR A 73 2.469 -14.790 5.162 1.00 0.00 C ATOM 1207 C THR A 73 2.725 -13.339 5.567 1.00 0.00 C ATOM 1208 O THR A 73 1.787 -12.561 5.747 1.00 0.00 O ATOM 1209 CB THR A 73 2.508 -15.695 6.406 1.00 0.00 C ATOM 1210 OG1 THR A 73 3.866 -15.940 6.792 1.00 0.00 O ATOM 1211 CG2 THR A 73 1.809 -17.016 6.131 1.00 0.00 C ATOM 0 H THR A 73 4.199 -15.787 4.533 1.00 0.00 H new ATOM 0 HA THR A 73 1.478 -14.848 4.712 1.00 0.00 H new ATOM 0 HB THR A 73 1.987 -15.186 7.217 1.00 0.00 H new ATOM 0 HG1 THR A 73 3.882 -16.515 7.585 1.00 0.00 H new ATOM 0 HG21 THR A 73 1.848 -17.641 7.023 1.00 0.00 H new ATOM 0 HG22 THR A 73 0.769 -16.829 5.864 1.00 0.00 H new ATOM 0 HG23 THR A 73 2.308 -17.527 5.308 1.00 0.00 H new ATOM 1219 N ARG A 74 3.996 -12.969 5.687 1.00 0.00 N ATOM 1220 CA ARG A 74 4.355 -11.612 6.088 1.00 0.00 C ATOM 1221 C ARG A 74 4.061 -10.621 4.970 1.00 0.00 C ATOM 1222 O ARG A 74 3.646 -9.491 5.227 1.00 0.00 O ATOM 1223 CB ARG A 74 5.826 -11.537 6.502 1.00 0.00 C ATOM 1224 CG ARG A 74 6.133 -12.364 7.738 1.00 0.00 C ATOM 1225 CD ARG A 74 7.609 -12.330 8.103 1.00 0.00 C ATOM 1226 NE ARG A 74 7.930 -13.347 9.102 1.00 0.00 N ATOM 1227 CZ ARG A 74 9.110 -13.477 9.700 1.00 0.00 C ATOM 1228 NH1 ARG A 74 10.092 -12.622 9.448 1.00 0.00 N ATOM 1229 NH2 ARG A 74 9.303 -14.466 10.562 1.00 0.00 N ATOM 0 H ARG A 74 4.790 -13.585 5.514 1.00 0.00 H new ATOM 0 HA ARG A 74 3.745 -11.344 6.950 1.00 0.00 H new ATOM 0 HB2 ARG A 74 6.449 -11.881 5.676 1.00 0.00 H new ATOM 0 HB3 ARG A 74 6.093 -10.497 6.691 1.00 0.00 H new ATOM 0 HG2 ARG A 74 5.545 -11.992 8.577 1.00 0.00 H new ATOM 0 HG3 ARG A 74 5.827 -13.396 7.567 1.00 0.00 H new ATOM 0 HD2 ARG A 74 8.211 -12.492 7.209 1.00 0.00 H new ATOM 0 HD3 ARG A 74 7.869 -11.344 8.488 1.00 0.00 H new ATOM 0 HE ARG A 74 7.195 -14.005 9.359 1.00 0.00 H new ATOM 0 HH11 ARG A 74 9.945 -11.856 8.790 1.00 0.00 H new ATOM 0 HH12 ARG A 74 10.994 -12.730 9.912 1.00 0.00 H new ATOM 0 HH21 ARG A 74 8.548 -15.122 10.763 1.00 0.00 H new ATOM 0 HH22 ARG A 74 10.206 -14.571 11.024 1.00 0.00 H new ATOM 1243 N VAL A 75 4.265 -11.047 3.726 1.00 0.00 N ATOM 1244 CA VAL A 75 3.919 -10.209 2.587 1.00 0.00 C ATOM 1245 C VAL A 75 2.408 -10.203 2.377 1.00 0.00 C ATOM 1246 O VAL A 75 1.855 -9.283 1.775 1.00 0.00 O ATOM 1247 CB VAL A 75 4.620 -10.655 1.282 1.00 0.00 C ATOM 1248 CG1 VAL A 75 6.128 -10.586 1.433 1.00 0.00 C ATOM 1249 CG2 VAL A 75 4.192 -12.056 0.871 1.00 0.00 C ATOM 0 H VAL A 75 4.663 -11.955 3.485 1.00 0.00 H new ATOM 0 HA VAL A 75 4.269 -9.203 2.819 1.00 0.00 H new ATOM 0 HB VAL A 75 4.316 -9.967 0.493 1.00 0.00 H new ATOM 0 HG11 VAL A 75 6.602 -10.904 0.504 1.00 0.00 H new ATOM 0 HG12 VAL A 75 6.424 -9.562 1.660 1.00 0.00 H new ATOM 0 HG13 VAL A 75 6.443 -11.243 2.244 1.00 0.00 H new ATOM 0 HG21 VAL A 75 4.704 -12.337 -0.049 1.00 0.00 H new ATOM 0 HG22 VAL A 75 4.451 -12.762 1.660 1.00 0.00 H new ATOM 0 HG23 VAL A 75 3.115 -12.074 0.707 1.00 0.00 H new ATOM 1259 N ARG A 76 1.740 -11.232 2.891 1.00 0.00 N ATOM 1260 CA ARG A 76 0.294 -11.320 2.797 1.00 0.00 C ATOM 1261 C ARG A 76 -0.358 -10.261 3.674 1.00 0.00 C ATOM 1262 O ARG A 76 -1.288 -9.591 3.244 1.00 0.00 O ATOM 1263 CB ARG A 76 -0.197 -12.717 3.189 1.00 0.00 C ATOM 1264 CG ARG A 76 -1.712 -12.856 3.197 1.00 0.00 C ATOM 1265 CD ARG A 76 -2.142 -14.309 3.324 1.00 0.00 C ATOM 1266 NE ARG A 76 -3.597 -14.449 3.418 1.00 0.00 N ATOM 1267 CZ ARG A 76 -4.418 -14.502 2.365 1.00 0.00 C ATOM 1268 NH1 ARG A 76 -3.935 -14.395 1.130 1.00 0.00 N ATOM 1269 NH2 ARG A 76 -5.723 -14.667 2.547 1.00 0.00 N ATOM 0 H ARG A 76 2.181 -12.014 3.376 1.00 0.00 H new ATOM 0 HA ARG A 76 0.009 -11.140 1.761 1.00 0.00 H new ATOM 0 HB2 ARG A 76 0.222 -13.447 2.496 1.00 0.00 H new ATOM 0 HB3 ARG A 76 0.186 -12.962 4.180 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -2.126 -12.280 4.025 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -2.121 -12.434 2.279 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -1.780 -14.870 2.463 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -1.679 -14.747 4.208 1.00 0.00 H new ATOM 0 HE ARG A 76 -4.011 -14.510 4.348 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -2.933 -14.272 0.983 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -4.567 -14.436 0.330 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -6.099 -14.753 3.491 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -6.349 -14.707 1.743 1.00 0.00 H new ATOM 1283 N TYR A 77 0.145 -10.101 4.895 1.00 0.00 N ATOM 1284 CA TYR A 77 -0.384 -9.088 5.804 1.00 0.00 C ATOM 1285 C TYR A 77 -0.289 -7.704 5.174 1.00 0.00 C ATOM 1286 O TYR A 77 -1.263 -6.954 5.158 1.00 0.00 O ATOM 1287 CB TYR A 77 0.360 -9.101 7.142 1.00 0.00 C ATOM 1288 CG TYR A 77 -0.110 -8.023 8.097 1.00 0.00 C ATOM 1289 CD1 TYR A 77 -1.353 -8.108 8.711 1.00 0.00 C ATOM 1290 CD2 TYR A 77 0.681 -6.912 8.369 1.00 0.00 C ATOM 1291 CE1 TYR A 77 -1.794 -7.121 9.569 1.00 0.00 C ATOM 1292 CE2 TYR A 77 0.245 -5.920 9.226 1.00 0.00 C ATOM 1293 CZ TYR A 77 -0.993 -6.029 9.822 1.00 0.00 C ATOM 1294 OH TYR A 77 -1.433 -5.043 10.673 1.00 0.00 O ATOM 0 H TYR A 77 0.912 -10.655 5.276 1.00 0.00 H new ATOM 0 HA TYR A 77 -1.431 -9.325 5.990 1.00 0.00 H new ATOM 0 HB2 TYR A 77 0.231 -10.076 7.613 1.00 0.00 H new ATOM 0 HB3 TYR A 77 1.427 -8.975 6.958 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -1.985 -8.961 8.514 1.00 0.00 H new ATOM 0 HD2 TYR A 77 1.651 -6.823 7.903 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -2.762 -7.204 10.040 1.00 0.00 H new ATOM 0 HE2 TYR A 77 0.871 -5.063 9.428 1.00 0.00 H new ATOM 0 HH TYR A 77 -2.030 -5.433 11.345 1.00 0.00 H new ATOM 1304 N ILE A 78 0.888 -7.383 4.641 1.00 0.00 N ATOM 1305 CA ILE A 78 1.105 -6.108 3.966 1.00 0.00 C ATOM 1306 C ILE A 78 0.139 -5.964 2.792 1.00 0.00 C ATOM 1307 O ILE A 78 -0.371 -4.879 2.512 1.00 0.00 O ATOM 1308 CB ILE A 78 2.560 -5.982 3.456 1.00 0.00 C ATOM 1309 CG1 ILE A 78 3.544 -6.207 4.607 1.00 0.00 C ATOM 1310 CG2 ILE A 78 2.789 -4.614 2.820 1.00 0.00 C ATOM 1311 CD1 ILE A 78 4.994 -6.230 4.173 1.00 0.00 C ATOM 0 H ILE A 78 1.707 -7.991 4.664 1.00 0.00 H new ATOM 0 HA ILE A 78 0.924 -5.313 4.690 1.00 0.00 H new ATOM 0 HB ILE A 78 2.729 -6.745 2.696 1.00 0.00 H new ATOM 0 HG12 ILE A 78 3.408 -5.419 5.348 1.00 0.00 H new ATOM 0 HG13 ILE A 78 3.306 -7.151 5.097 1.00 0.00 H new ATOM 0 HG21 ILE A 78 3.818 -4.544 2.467 1.00 0.00 H new ATOM 0 HG22 ILE A 78 2.108 -4.485 1.979 1.00 0.00 H new ATOM 0 HG23 ILE A 78 2.605 -3.834 3.559 1.00 0.00 H new ATOM 0 HD11 ILE A 78 5.631 -6.394 5.042 1.00 0.00 H new ATOM 0 HD12 ILE A 78 5.146 -7.036 3.455 1.00 0.00 H new ATOM 0 HD13 ILE A 78 5.250 -5.277 3.709 1.00 0.00 H new ATOM 1323 N HIS A 79 -0.128 -7.081 2.131 1.00 0.00 N ATOM 1324 CA HIS A 79 -1.042 -7.107 1.000 1.00 0.00 C ATOM 1325 C HIS A 79 -2.469 -6.807 1.457 1.00 0.00 C ATOM 1326 O HIS A 79 -3.221 -6.112 0.770 1.00 0.00 O ATOM 1327 CB HIS A 79 -0.990 -8.475 0.314 1.00 0.00 C ATOM 1328 CG HIS A 79 -1.584 -8.496 -1.060 1.00 0.00 C ATOM 1329 ND1 HIS A 79 -2.597 -7.654 -1.456 1.00 0.00 N ATOM 1330 CD2 HIS A 79 -1.287 -9.255 -2.139 1.00 0.00 C ATOM 1331 CE1 HIS A 79 -2.896 -7.893 -2.717 1.00 0.00 C ATOM 1332 NE2 HIS A 79 -2.115 -8.861 -3.157 1.00 0.00 N ATOM 0 H HIS A 79 0.279 -7.987 2.361 1.00 0.00 H new ATOM 0 HA HIS A 79 -0.735 -6.339 0.289 1.00 0.00 H new ATOM 0 HB2 HIS A 79 0.049 -8.799 0.253 1.00 0.00 H new ATOM 0 HB3 HIS A 79 -1.515 -9.201 0.935 1.00 0.00 H new ATOM 0 HD1 HIS A 79 -3.047 -6.954 -0.866 1.00 0.00 H new ATOM 0 HD2 HIS A 79 -0.536 -10.029 -2.189 1.00 0.00 H new ATOM 0 HE1 HIS A 79 -3.653 -7.382 -3.293 1.00 0.00 H new ATOM 1341 N VAL A 80 -2.832 -7.345 2.611 1.00 0.00 N ATOM 1342 CA VAL A 80 -4.176 -7.187 3.150 1.00 0.00 C ATOM 1343 C VAL A 80 -4.393 -5.774 3.669 1.00 0.00 C ATOM 1344 O VAL A 80 -5.396 -5.130 3.351 1.00 0.00 O ATOM 1345 CB VAL A 80 -4.441 -8.185 4.293 1.00 0.00 C ATOM 1346 CG1 VAL A 80 -5.845 -8.014 4.841 1.00 0.00 C ATOM 1347 CG2 VAL A 80 -4.227 -9.610 3.820 1.00 0.00 C ATOM 0 H VAL A 80 -2.209 -7.900 3.198 1.00 0.00 H new ATOM 0 HA VAL A 80 -4.871 -7.385 2.334 1.00 0.00 H new ATOM 0 HB VAL A 80 -3.732 -7.978 5.095 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -6.011 -8.729 5.647 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -5.965 -7.001 5.224 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -6.570 -8.190 4.046 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -4.419 -10.299 4.642 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -4.909 -9.827 2.998 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -3.199 -9.730 3.479 1.00 0.00 H new ATOM 1357 N VAL A 81 -3.446 -5.295 4.461 1.00 0.00 N ATOM 1358 CA VAL A 81 -3.562 -3.985 5.083 1.00 0.00 C ATOM 1359 C VAL A 81 -3.584 -2.868 4.030 1.00 0.00 C ATOM 1360 O VAL A 81 -4.336 -1.900 4.155 1.00 0.00 O ATOM 1361 CB VAL A 81 -2.428 -3.750 6.114 1.00 0.00 C ATOM 1362 CG1 VAL A 81 -1.059 -3.808 5.458 1.00 0.00 C ATOM 1363 CG2 VAL A 81 -2.616 -2.430 6.838 1.00 0.00 C ATOM 0 H VAL A 81 -2.587 -5.795 4.689 1.00 0.00 H new ATOM 0 HA VAL A 81 -4.512 -3.960 5.618 1.00 0.00 H new ATOM 0 HB VAL A 81 -2.482 -4.555 6.847 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -0.288 -3.639 6.210 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -0.914 -4.788 5.004 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -0.991 -3.038 4.689 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -1.807 -2.290 7.555 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -2.606 -1.614 6.115 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -3.571 -2.436 7.364 1.00 0.00 H new ATOM 1373 N LEU A 82 -2.785 -3.023 2.977 1.00 0.00 N ATOM 1374 CA LEU A 82 -2.753 -2.045 1.895 1.00 0.00 C ATOM 1375 C LEU A 82 -4.043 -2.118 1.077 1.00 0.00 C ATOM 1376 O LEU A 82 -4.528 -1.104 0.565 1.00 0.00 O ATOM 1377 CB LEU A 82 -1.537 -2.288 0.995 1.00 0.00 C ATOM 1378 CG LEU A 82 -1.273 -1.202 -0.049 1.00 0.00 C ATOM 1379 CD1 LEU A 82 -0.969 0.124 0.631 1.00 0.00 C ATOM 1380 CD2 LEU A 82 -0.129 -1.609 -0.969 1.00 0.00 C ATOM 0 H LEU A 82 -2.153 -3.814 2.851 1.00 0.00 H new ATOM 0 HA LEU A 82 -2.671 -1.048 2.328 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -0.653 -2.387 1.625 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -1.670 -3.240 0.481 1.00 0.00 H new ATOM 0 HG LEU A 82 -2.171 -1.080 -0.655 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -0.783 0.887 -0.125 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -1.819 0.421 1.245 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -0.086 0.016 1.261 1.00 0.00 H new ATOM 0 HD21 LEU A 82 0.043 -0.823 -1.705 1.00 0.00 H new ATOM 0 HD22 LEU A 82 0.776 -1.759 -0.380 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -0.386 -2.536 -1.482 1.00 0.00 H new ATOM 1392 N HIS A 83 -4.597 -3.326 0.976 1.00 0.00 N ATOM 1393 CA HIS A 83 -5.856 -3.553 0.269 1.00 0.00 C ATOM 1394 C HIS A 83 -6.962 -2.665 0.830 1.00 0.00 C ATOM 1395 O HIS A 83 -7.647 -1.968 0.081 1.00 0.00 O ATOM 1396 CB HIS A 83 -6.255 -5.038 0.359 1.00 0.00 C ATOM 1397 CG HIS A 83 -7.684 -5.331 -0.020 1.00 0.00 C ATOM 1398 ND1 HIS A 83 -8.101 -5.545 -1.319 1.00 0.00 N ATOM 1399 CD2 HIS A 83 -8.793 -5.458 0.753 1.00 0.00 C ATOM 1400 CE1 HIS A 83 -9.404 -5.786 -1.325 1.00 0.00 C ATOM 1401 NE2 HIS A 83 -9.842 -5.740 -0.082 1.00 0.00 N ATOM 0 H HIS A 83 -4.189 -4.169 1.379 1.00 0.00 H new ATOM 0 HA HIS A 83 -5.714 -3.292 -0.780 1.00 0.00 H new ATOM 0 HB2 HIS A 83 -5.596 -5.617 -0.288 1.00 0.00 H new ATOM 0 HB3 HIS A 83 -6.086 -5.384 1.379 1.00 0.00 H new ATOM 0 HD2 HIS A 83 -8.840 -5.356 1.827 1.00 0.00 H new ATOM 0 HE1 HIS A 83 -10.005 -5.986 -2.200 1.00 0.00 H new ATOM 0 HE2 HIS A 83 -10.807 -5.890 0.211 1.00 0.00 H new ATOM 1410 N GLU A 84 -7.121 -2.688 2.146 1.00 0.00 N ATOM 1411 CA GLU A 84 -8.191 -1.945 2.794 1.00 0.00 C ATOM 1412 C GLU A 84 -7.928 -0.443 2.745 1.00 0.00 C ATOM 1413 O GLU A 84 -8.842 0.347 2.499 1.00 0.00 O ATOM 1414 CB GLU A 84 -8.367 -2.415 4.240 1.00 0.00 C ATOM 1415 CG GLU A 84 -9.413 -1.624 5.005 1.00 0.00 C ATOM 1416 CD GLU A 84 -10.028 -2.403 6.147 1.00 0.00 C ATOM 1417 OE1 GLU A 84 -10.655 -3.452 5.887 1.00 0.00 O ATOM 1418 OE2 GLU A 84 -9.906 -1.963 7.309 1.00 0.00 O ATOM 0 H GLU A 84 -6.523 -3.213 2.785 1.00 0.00 H new ATOM 0 HA GLU A 84 -9.115 -2.139 2.249 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -8.646 -3.469 4.241 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -7.412 -2.338 4.759 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -8.957 -0.715 5.397 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -10.201 -1.315 4.318 1.00 0.00 H new ATOM 1425 N ALA A 85 -6.678 -0.055 2.951 1.00 0.00 N ATOM 1426 CA ALA A 85 -6.317 1.354 2.989 1.00 0.00 C ATOM 1427 C ALA A 85 -6.617 2.047 1.661 1.00 0.00 C ATOM 1428 O ALA A 85 -7.315 3.063 1.624 1.00 0.00 O ATOM 1429 CB ALA A 85 -4.851 1.519 3.357 1.00 0.00 C ATOM 0 H ALA A 85 -5.897 -0.696 3.094 1.00 0.00 H new ATOM 0 HA ALA A 85 -6.927 1.831 3.756 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -4.599 2.579 3.381 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -4.671 1.081 4.339 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -4.231 1.015 2.616 1.00 0.00 H new ATOM 1435 N MET A 86 -6.115 1.481 0.566 1.00 0.00 N ATOM 1436 CA MET A 86 -6.306 2.082 -0.752 1.00 0.00 C ATOM 1437 C MET A 86 -7.752 1.952 -1.217 1.00 0.00 C ATOM 1438 O MET A 86 -8.195 2.680 -2.105 1.00 0.00 O ATOM 1439 CB MET A 86 -5.370 1.458 -1.788 1.00 0.00 C ATOM 1440 CG MET A 86 -3.921 1.898 -1.646 1.00 0.00 C ATOM 1441 SD MET A 86 -2.879 1.280 -2.980 1.00 0.00 S ATOM 1442 CE MET A 86 -1.320 2.068 -2.587 1.00 0.00 C ATOM 0 H MET A 86 -5.577 0.614 0.564 1.00 0.00 H new ATOM 0 HA MET A 86 -6.065 3.141 -0.658 1.00 0.00 H new ATOM 0 HB2 MET A 86 -5.421 0.372 -1.703 1.00 0.00 H new ATOM 0 HB3 MET A 86 -5.723 1.717 -2.786 1.00 0.00 H new ATOM 0 HG2 MET A 86 -3.875 2.987 -1.628 1.00 0.00 H new ATOM 0 HG3 MET A 86 -3.530 1.547 -0.691 1.00 0.00 H new ATOM 0 HE1 MET A 86 -1.085 2.810 -3.350 1.00 0.00 H new ATOM 0 HE2 MET A 86 -1.394 2.558 -1.616 1.00 0.00 H new ATOM 0 HE3 MET A 86 -0.531 1.317 -2.555 1.00 0.00 H new ATOM 1452 N SER A 87 -8.489 1.037 -0.604 1.00 0.00 N ATOM 1453 CA SER A 87 -9.888 0.841 -0.946 1.00 0.00 C ATOM 1454 C SER A 87 -10.708 2.072 -0.560 1.00 0.00 C ATOM 1455 O SER A 87 -11.678 2.420 -1.231 1.00 0.00 O ATOM 1456 CB SER A 87 -10.435 -0.410 -0.250 1.00 0.00 C ATOM 1457 OG SER A 87 -11.775 -0.670 -0.631 1.00 0.00 O ATOM 0 H SER A 87 -8.142 0.421 0.131 1.00 0.00 H new ATOM 0 HA SER A 87 -9.967 0.699 -2.024 1.00 0.00 H new ATOM 0 HB2 SER A 87 -9.811 -1.269 -0.499 1.00 0.00 H new ATOM 0 HB3 SER A 87 -10.381 -0.280 0.831 1.00 0.00 H new ATOM 0 HG SER A 87 -12.095 -1.474 -0.172 1.00 0.00 H new ATOM 1463 N GLN A 88 -10.297 2.742 0.513 1.00 0.00 N ATOM 1464 CA GLN A 88 -10.973 3.951 0.965 1.00 0.00 C ATOM 1465 C GLN A 88 -10.621 5.123 0.048 1.00 0.00 C ATOM 1466 O GLN A 88 -11.417 6.046 -0.140 1.00 0.00 O ATOM 1467 CB GLN A 88 -10.583 4.262 2.413 1.00 0.00 C ATOM 1468 CG GLN A 88 -11.298 5.465 3.011 1.00 0.00 C ATOM 1469 CD GLN A 88 -12.810 5.317 3.029 1.00 0.00 C ATOM 1470 OE1 GLN A 88 -13.381 4.773 3.974 1.00 0.00 O ATOM 1471 NE2 GLN A 88 -13.466 5.815 1.992 1.00 0.00 N ATOM 0 H GLN A 88 -9.499 2.467 1.085 1.00 0.00 H new ATOM 0 HA GLN A 88 -12.051 3.792 0.925 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -10.792 3.387 3.029 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -9.508 4.434 2.458 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -10.943 5.621 4.030 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -11.034 6.356 2.442 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -12.954 6.258 1.229 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -14.484 5.756 1.956 1.00 0.00 H new ATOM 1480 N ALA A 89 -9.428 5.071 -0.534 1.00 0.00 N ATOM 1481 CA ALA A 89 -8.997 6.087 -1.486 1.00 0.00 C ATOM 1482 C ALA A 89 -9.800 5.975 -2.776 1.00 0.00 C ATOM 1483 O ALA A 89 -10.081 6.976 -3.438 1.00 0.00 O ATOM 1484 CB ALA A 89 -7.506 5.961 -1.766 1.00 0.00 C ATOM 0 H ALA A 89 -8.742 4.336 -0.363 1.00 0.00 H new ATOM 0 HA ALA A 89 -9.178 7.070 -1.051 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -7.204 6.728 -2.479 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -6.949 6.089 -0.838 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -7.296 4.976 -2.182 1.00 0.00 H new ATOM 1490 N ARG A 90 -10.168 4.744 -3.124 1.00 0.00 N ATOM 1491 CA ARG A 90 -11.041 4.483 -4.266 1.00 0.00 C ATOM 1492 C ARG A 90 -12.368 5.220 -4.102 1.00 0.00 C ATOM 1493 O ARG A 90 -12.875 5.837 -5.038 1.00 0.00 O ATOM 1494 CB ARG A 90 -11.304 2.978 -4.391 1.00 0.00 C ATOM 1495 CG ARG A 90 -12.288 2.616 -5.492 1.00 0.00 C ATOM 1496 CD ARG A 90 -12.808 1.198 -5.322 1.00 0.00 C ATOM 1497 NE ARG A 90 -13.553 1.046 -4.071 1.00 0.00 N ATOM 1498 CZ ARG A 90 -13.643 -0.084 -3.374 1.00 0.00 C ATOM 1499 NH1 ARG A 90 -13.114 -1.208 -3.840 1.00 0.00 N ATOM 1500 NH2 ARG A 90 -14.303 -0.090 -2.223 1.00 0.00 N ATOM 0 H ARG A 90 -9.872 3.904 -2.626 1.00 0.00 H new ATOM 0 HA ARG A 90 -10.546 4.841 -5.169 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -10.359 2.468 -4.579 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -11.684 2.605 -3.440 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -13.123 3.316 -5.481 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -11.803 2.714 -6.463 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -13.452 0.942 -6.163 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -11.972 0.499 -5.336 1.00 0.00 H new ATOM 0 HE ARG A 90 -14.038 1.866 -3.707 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -12.633 -1.211 -4.740 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -13.188 -2.069 -3.299 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -14.736 0.767 -1.879 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -14.377 -0.952 -1.682 1.00 0.00 H new ATOM 1514 N GLU A 91 -12.913 5.151 -2.893 1.00 0.00 N ATOM 1515 CA GLU A 91 -14.183 5.794 -2.573 1.00 0.00 C ATOM 1516 C GLU A 91 -14.091 7.304 -2.776 1.00 0.00 C ATOM 1517 O GLU A 91 -15.001 7.927 -3.322 1.00 0.00 O ATOM 1518 CB GLU A 91 -14.563 5.493 -1.125 1.00 0.00 C ATOM 1519 CG GLU A 91 -14.505 4.014 -0.773 1.00 0.00 C ATOM 1520 CD GLU A 91 -15.507 3.183 -1.541 1.00 0.00 C ATOM 1521 OE1 GLU A 91 -16.673 3.097 -1.102 1.00 0.00 O ATOM 1522 OE2 GLU A 91 -15.132 2.596 -2.573 1.00 0.00 O ATOM 0 H GLU A 91 -12.490 4.651 -2.111 1.00 0.00 H new ATOM 0 HA GLU A 91 -14.948 5.400 -3.242 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -13.895 6.042 -0.462 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -15.571 5.863 -0.939 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -13.501 3.638 -0.972 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -14.684 3.893 0.295 1.00 0.00 H new ATOM 1529 N SER A 92 -12.973 7.879 -2.345 1.00 0.00 N ATOM 1530 CA SER A 92 -12.745 9.313 -2.467 1.00 0.00 C ATOM 1531 C SER A 92 -12.608 9.718 -3.938 1.00 0.00 C ATOM 1532 O SER A 92 -12.844 10.869 -4.306 1.00 0.00 O ATOM 1533 CB SER A 92 -11.484 9.711 -1.681 1.00 0.00 C ATOM 1534 OG SER A 92 -11.276 11.115 -1.703 1.00 0.00 O ATOM 0 H SER A 92 -12.207 7.369 -1.905 1.00 0.00 H new ATOM 0 HA SER A 92 -13.604 9.839 -2.050 1.00 0.00 H new ATOM 0 HB2 SER A 92 -11.576 9.372 -0.649 1.00 0.00 H new ATOM 0 HB3 SER A 92 -10.616 9.207 -2.106 1.00 0.00 H new ATOM 0 HG SER A 92 -10.468 11.334 -1.193 1.00 0.00 H new ATOM 1540 N GLY A 93 -12.250 8.759 -4.780 1.00 0.00 N ATOM 1541 CA GLY A 93 -12.061 9.047 -6.183 1.00 0.00 C ATOM 1542 C GLY A 93 -10.601 9.196 -6.539 1.00 0.00 C ATOM 1543 O GLY A 93 -10.258 9.564 -7.662 1.00 0.00 O ATOM 0 H GLY A 93 -12.088 7.788 -4.515 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -12.500 8.247 -6.779 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -12.592 9.964 -6.440 1.00 0.00 H new ATOM 1547 N LEU A 94 -9.740 8.914 -5.572 1.00 0.00 N ATOM 1548 CA LEU A 94 -8.306 8.957 -5.799 1.00 0.00 C ATOM 1549 C LEU A 94 -7.902 7.788 -6.682 1.00 0.00 C ATOM 1550 O LEU A 94 -7.014 7.902 -7.525 1.00 0.00 O ATOM 1551 CB LEU A 94 -7.552 8.910 -4.468 1.00 0.00 C ATOM 1552 CG LEU A 94 -7.898 10.036 -3.489 1.00 0.00 C ATOM 1553 CD1 LEU A 94 -7.096 9.895 -2.205 1.00 0.00 C ATOM 1554 CD2 LEU A 94 -7.647 11.394 -4.125 1.00 0.00 C ATOM 0 H LEU A 94 -10.011 8.653 -4.624 1.00 0.00 H new ATOM 0 HA LEU A 94 -8.049 9.890 -6.300 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -7.756 7.954 -3.986 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -6.482 8.942 -4.672 1.00 0.00 H new ATOM 0 HG LEU A 94 -8.957 9.961 -3.243 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -7.356 10.704 -1.523 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -7.325 8.938 -1.736 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -6.031 9.942 -2.434 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -7.899 12.181 -3.414 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -6.596 11.478 -4.402 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -8.266 11.499 -5.016 1.00 0.00 H new ATOM 1566 N LEU A 95 -8.572 6.663 -6.475 1.00 0.00 N ATOM 1567 CA LEU A 95 -8.416 5.503 -7.335 1.00 0.00 C ATOM 1568 C LEU A 95 -9.720 5.245 -8.078 1.00 0.00 C ATOM 1569 O LEU A 95 -10.742 4.946 -7.461 1.00 0.00 O ATOM 1570 CB LEU A 95 -8.029 4.252 -6.530 1.00 0.00 C ATOM 1571 CG LEU A 95 -6.558 4.137 -6.110 1.00 0.00 C ATOM 1572 CD1 LEU A 95 -5.642 4.280 -7.317 1.00 0.00 C ATOM 1573 CD2 LEU A 95 -6.214 5.158 -5.040 1.00 0.00 C ATOM 0 H LEU A 95 -9.234 6.531 -5.711 1.00 0.00 H new ATOM 0 HA LEU A 95 -7.614 5.711 -8.043 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -8.644 4.221 -5.631 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -8.285 3.373 -7.121 1.00 0.00 H new ATOM 0 HG LEU A 95 -6.404 3.146 -5.683 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -4.603 4.195 -6.998 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -5.865 3.494 -8.038 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -5.801 5.253 -7.781 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -5.165 5.054 -4.761 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -6.389 6.162 -5.426 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -6.841 4.992 -4.164 1.00 0.00 H new ATOM 1585 N LEU A 96 -9.691 5.386 -9.396 1.00 0.00 N ATOM 1586 CA LEU A 96 -10.869 5.132 -10.217 1.00 0.00 C ATOM 1587 C LEU A 96 -11.176 3.637 -10.248 1.00 0.00 C ATOM 1588 O LEU A 96 -12.318 3.227 -10.457 1.00 0.00 O ATOM 1589 CB LEU A 96 -10.681 5.670 -11.648 1.00 0.00 C ATOM 1590 CG LEU A 96 -9.620 4.968 -12.511 1.00 0.00 C ATOM 1591 CD1 LEU A 96 -9.785 5.362 -13.970 1.00 0.00 C ATOM 1592 CD2 LEU A 96 -8.210 5.307 -12.041 1.00 0.00 C ATOM 0 H LEU A 96 -8.865 5.675 -9.921 1.00 0.00 H new ATOM 0 HA LEU A 96 -11.712 5.659 -9.770 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -11.638 5.606 -12.165 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -10.424 6.727 -11.584 1.00 0.00 H new ATOM 0 HG LEU A 96 -9.765 3.893 -12.408 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -9.028 4.858 -14.571 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -10.776 5.070 -14.316 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -9.669 6.441 -14.071 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -7.483 4.795 -12.672 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -8.053 6.384 -12.107 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -8.084 4.985 -11.007 1.00 0.00 H new ATOM 1604 N GLN A 97 -10.146 2.838 -10.015 1.00 0.00 N ATOM 1605 CA GLN A 97 -10.276 1.390 -9.970 1.00 0.00 C ATOM 1606 C GLN A 97 -9.676 0.867 -8.668 1.00 0.00 C ATOM 1607 O GLN A 97 -9.199 1.651 -7.847 1.00 0.00 O ATOM 1608 CB GLN A 97 -9.580 0.757 -11.179 1.00 0.00 C ATOM 1609 CG GLN A 97 -8.113 1.133 -11.312 1.00 0.00 C ATOM 1610 CD GLN A 97 -7.457 0.500 -12.525 1.00 0.00 C ATOM 1611 OE1 GLN A 97 -6.910 -0.601 -12.450 1.00 0.00 O ATOM 1612 NE2 GLN A 97 -7.501 1.195 -13.653 1.00 0.00 N ATOM 0 H GLN A 97 -9.197 3.175 -9.852 1.00 0.00 H new ATOM 0 HA GLN A 97 -11.331 1.120 -10.007 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -9.662 -0.327 -11.106 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -10.105 1.056 -12.086 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -8.024 2.217 -11.380 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -7.580 0.825 -10.413 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -7.964 2.104 -13.674 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -7.072 0.821 -14.500 1.00 0.00 H new ATOM 1621 N ASN A 98 -9.698 -0.441 -8.471 1.00 0.00 N ATOM 1622 CA ASN A 98 -9.149 -1.022 -7.253 1.00 0.00 C ATOM 1623 C ASN A 98 -7.926 -1.888 -7.562 1.00 0.00 C ATOM 1624 O ASN A 98 -8.038 -3.069 -7.895 1.00 0.00 O ATOM 1625 CB ASN A 98 -10.232 -1.806 -6.486 1.00 0.00 C ATOM 1626 CG ASN A 98 -10.861 -2.943 -7.281 1.00 0.00 C ATOM 1627 OD1 ASN A 98 -10.836 -2.961 -8.511 1.00 0.00 O ATOM 1628 ND2 ASN A 98 -11.463 -3.886 -6.576 1.00 0.00 N ATOM 0 H ASN A 98 -10.085 -1.116 -9.130 1.00 0.00 H new ATOM 0 HA ASN A 98 -8.813 -0.212 -6.605 1.00 0.00 H new ATOM 0 HB2 ASN A 98 -9.793 -2.214 -5.575 1.00 0.00 H new ATOM 0 HB3 ASN A 98 -11.017 -1.114 -6.180 1.00 0.00 H new ATOM 0 HD21 ASN A 98 -11.926 -4.661 -7.051 1.00 0.00 H new ATOM 0 HD22 ASN A 98 -11.464 -3.839 -5.557 1.00 0.00 H new ATOM 1635 N PRO A 99 -6.723 -1.301 -7.440 1.00 0.00 N ATOM 1636 CA PRO A 99 -5.473 -1.973 -7.802 1.00 0.00 C ATOM 1637 C PRO A 99 -5.044 -3.022 -6.777 1.00 0.00 C ATOM 1638 O PRO A 99 -4.431 -4.028 -7.127 1.00 0.00 O ATOM 1639 CB PRO A 99 -4.461 -0.827 -7.857 1.00 0.00 C ATOM 1640 CG PRO A 99 -4.991 0.200 -6.918 1.00 0.00 C ATOM 1641 CD PRO A 99 -6.492 0.074 -6.950 1.00 0.00 C ATOM 0 HA PRO A 99 -5.567 -2.526 -8.737 1.00 0.00 H new ATOM 0 HB2 PRO A 99 -3.468 -1.162 -7.556 1.00 0.00 H new ATOM 0 HB3 PRO A 99 -4.370 -0.429 -8.868 1.00 0.00 H new ATOM 0 HG2 PRO A 99 -4.609 0.038 -5.910 1.00 0.00 H new ATOM 0 HG3 PRO A 99 -4.679 1.200 -7.220 1.00 0.00 H new ATOM 0 HD2 PRO A 99 -6.927 0.224 -5.962 1.00 0.00 H new ATOM 0 HD3 PRO A 99 -6.941 0.815 -7.612 1.00 0.00 H new ATOM 1649 N THR A 100 -5.385 -2.795 -5.516 1.00 0.00 N ATOM 1650 CA THR A 100 -5.007 -3.708 -4.445 1.00 0.00 C ATOM 1651 C THR A 100 -5.832 -4.990 -4.497 1.00 0.00 C ATOM 1652 O THR A 100 -5.459 -6.012 -3.918 1.00 0.00 O ATOM 1653 CB THR A 100 -5.184 -3.041 -3.071 1.00 0.00 C ATOM 1654 OG1 THR A 100 -6.448 -2.367 -3.019 1.00 0.00 O ATOM 1655 CG2 THR A 100 -4.061 -2.055 -2.794 1.00 0.00 C ATOM 0 H THR A 100 -5.924 -1.985 -5.209 1.00 0.00 H new ATOM 0 HA THR A 100 -3.956 -3.960 -4.588 1.00 0.00 H new ATOM 0 HB THR A 100 -5.152 -3.817 -2.306 1.00 0.00 H new ATOM 0 HG1 THR A 100 -6.491 -1.815 -2.210 1.00 0.00 H new ATOM 0 HG21 THR A 100 -4.211 -1.598 -1.816 1.00 0.00 H new ATOM 0 HG22 THR A 100 -3.105 -2.579 -2.807 1.00 0.00 H new ATOM 0 HG23 THR A 100 -4.060 -1.280 -3.560 1.00 0.00 H new ATOM 1663 N GLU A 101 -6.965 -4.918 -5.179 1.00 0.00 N ATOM 1664 CA GLU A 101 -7.830 -6.071 -5.360 1.00 0.00 C ATOM 1665 C GLU A 101 -7.513 -6.733 -6.701 1.00 0.00 C ATOM 1666 O GLU A 101 -7.738 -7.924 -6.899 1.00 0.00 O ATOM 1667 CB GLU A 101 -9.291 -5.619 -5.275 1.00 0.00 C ATOM 1668 CG GLU A 101 -10.287 -6.728 -4.978 1.00 0.00 C ATOM 1669 CD GLU A 101 -10.680 -7.524 -6.201 1.00 0.00 C ATOM 1670 OE1 GLU A 101 -11.308 -6.943 -7.115 1.00 0.00 O ATOM 1671 OE2 GLU A 101 -10.387 -8.732 -6.245 1.00 0.00 O ATOM 0 H GLU A 101 -7.308 -4.064 -5.619 1.00 0.00 H new ATOM 0 HA GLU A 101 -7.660 -6.809 -4.576 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -9.376 -4.857 -4.500 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -9.566 -5.147 -6.218 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -9.858 -7.402 -4.237 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -11.182 -6.293 -4.533 1.00 0.00 H new ATOM 1678 N ALA A 102 -6.961 -5.943 -7.612 1.00 0.00 N ATOM 1679 CA ALA A 102 -6.499 -6.454 -8.898 1.00 0.00 C ATOM 1680 C ALA A 102 -5.234 -7.290 -8.718 1.00 0.00 C ATOM 1681 O ALA A 102 -4.797 -7.992 -9.632 1.00 0.00 O ATOM 1682 CB ALA A 102 -6.251 -5.309 -9.868 1.00 0.00 C ATOM 0 H ALA A 102 -6.821 -4.941 -7.484 1.00 0.00 H new ATOM 0 HA ALA A 102 -7.277 -7.094 -9.315 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -5.907 -5.708 -10.822 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -7.177 -4.754 -10.020 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -5.491 -4.643 -9.458 1.00 0.00 H new ATOM 1688 N ALA A 103 -4.645 -7.191 -7.532 1.00 0.00 N ATOM 1689 CA ALA A 103 -3.535 -8.049 -7.143 1.00 0.00 C ATOM 1690 C ALA A 103 -4.094 -9.326 -6.514 1.00 0.00 C ATOM 1691 O ALA A 103 -5.309 -9.450 -6.347 1.00 0.00 O ATOM 1692 CB ALA A 103 -2.598 -7.317 -6.188 1.00 0.00 C ATOM 0 H ALA A 103 -4.922 -6.518 -6.818 1.00 0.00 H new ATOM 0 HA ALA A 103 -2.949 -8.316 -8.022 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -1.775 -7.976 -5.909 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -2.201 -6.428 -6.678 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -3.147 -7.024 -5.293 1.00 0.00 H new ATOM 1698 N LYS A 104 -3.229 -10.271 -6.161 1.00 0.00 N ATOM 1699 CA LYS A 104 -3.695 -11.589 -5.715 1.00 0.00 C ATOM 1700 C LYS A 104 -4.464 -11.488 -4.393 1.00 0.00 C ATOM 1701 O LYS A 104 -4.068 -10.743 -3.499 1.00 0.00 O ATOM 1702 CB LYS A 104 -2.515 -12.552 -5.575 1.00 0.00 C ATOM 1703 CG LYS A 104 -1.705 -12.703 -6.852 1.00 0.00 C ATOM 1704 CD LYS A 104 -0.643 -13.781 -6.721 1.00 0.00 C ATOM 1705 CE LYS A 104 -1.261 -15.166 -6.627 1.00 0.00 C ATOM 1706 NZ LYS A 104 -0.234 -16.223 -6.455 1.00 0.00 N ATOM 0 H LYS A 104 -2.215 -10.157 -6.173 1.00 0.00 H new ATOM 0 HA LYS A 104 -4.378 -11.978 -6.471 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -1.860 -12.200 -4.778 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -2.888 -13.530 -5.272 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -2.372 -12.948 -7.679 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -1.230 -11.753 -7.096 1.00 0.00 H new ATOM 0 HD2 LYS A 104 0.027 -13.738 -7.579 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -0.038 -13.591 -5.834 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -1.956 -15.196 -5.788 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -1.840 -15.366 -7.528 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -0.698 -17.152 -6.395 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 0.415 -16.212 -7.268 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 0.302 -16.047 -5.581 1.00 0.00 H new