USER MOD reduce.3.24.130724 H: found=0, std=0, add=399, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 402 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 25 MET CE :methyl -155:sc= -0.456 (180deg=-1.02) USER MOD Set 1.2: A 40 CYS SG : rot -128:sc= -1.97 USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 6 TYR OH : rot -20:sc= -0.979 USER MOD Single : A 7 LYS NZ :NH3+ 148:sc= -0.762 (180deg=-1.75) USER MOD Single : A 17 TYR OH : rot 168:sc= 0.0231 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 SER OG : rot -85:sc= 0.277 USER MOD Single : A 24 GLN : amide:sc= -0.427 X(o=-0.43,f=-0.45) USER MOD Single : A 26 GLN : amide:sc= -1.59 K(o=-1.6,f=-2.2!) USER MOD Single : A 27 THR OG1 : rot 72:sc= 1.21 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 ASN : amide:sc= -0.661 K(o=-0.66,f=-1.3) USER MOD Single : A 53 SER OG : rot -60:sc= -0.85 USER MOD Single : A 54 LYS NZ :NH3+ -159:sc= 0.919 (180deg=0.561) USER MOD ----------------------------------------------------------------- ATOM 15 N VAL A 2 -5.034 11.327 -0.629 1.00 0.00 N ATOM 16 CA VAL A 2 -5.651 10.119 -0.098 1.00 0.00 C ATOM 17 C VAL A 2 -4.601 9.063 0.232 1.00 0.00 C ATOM 18 O VAL A 2 -3.899 8.579 -0.654 1.00 0.00 O ATOM 19 CB VAL A 2 -6.664 9.523 -1.095 1.00 0.00 C ATOM 20 CG1 VAL A 2 -7.414 8.357 -0.467 1.00 0.00 C ATOM 21 CG2 VAL A 2 -7.633 10.592 -1.577 1.00 0.00 C ATOM 0 HA VAL A 2 -6.173 10.406 0.815 1.00 0.00 H new ATOM 0 HB VAL A 2 -6.115 9.147 -1.958 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -8.124 7.951 -1.187 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -6.705 7.581 -0.179 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -7.951 8.703 0.416 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -8.340 10.152 -2.280 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -8.176 11.002 -0.725 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -7.078 11.389 -2.072 1.00 0.00 H new ATOM 31 N MET A 3 -4.504 8.709 1.508 1.00 0.00 N ATOM 32 CA MET A 3 -3.543 7.706 1.953 1.00 0.00 C ATOM 33 C MET A 3 -4.088 6.302 1.717 1.00 0.00 C ATOM 34 O MET A 3 -5.300 6.106 1.622 1.00 0.00 O ATOM 35 CB MET A 3 -3.219 7.899 3.435 1.00 0.00 C ATOM 36 CG MET A 3 -2.701 9.288 3.768 1.00 0.00 C ATOM 37 SD MET A 3 -2.280 9.473 5.511 1.00 0.00 S ATOM 38 CE MET A 3 -1.175 10.882 5.445 1.00 0.00 C ATOM 0 H MET A 3 -5.079 9.102 2.253 1.00 0.00 H new ATOM 0 HA MET A 3 -2.628 7.828 1.374 1.00 0.00 H new ATOM 0 HB2 MET A 3 -4.116 7.704 4.023 1.00 0.00 H new ATOM 0 HB3 MET A 3 -2.475 7.161 3.735 1.00 0.00 H new ATOM 0 HG2 MET A 3 -1.820 9.498 3.161 1.00 0.00 H new ATOM 0 HG3 MET A 3 -3.456 10.027 3.500 1.00 0.00 H new ATOM 0 HE1 MET A 3 -0.828 11.120 6.451 1.00 0.00 H new ATOM 0 HE2 MET A 3 -0.319 10.644 4.813 1.00 0.00 H new ATOM 0 HE3 MET A 3 -1.704 11.740 5.031 1.00 0.00 H new ATOM 48 N TRP A 4 -3.190 5.325 1.615 1.00 0.00 N ATOM 49 CA TRP A 4 -3.602 3.944 1.380 1.00 0.00 C ATOM 50 C TRP A 4 -2.716 2.953 2.126 1.00 0.00 C ATOM 51 O TRP A 4 -1.525 2.831 1.839 1.00 0.00 O ATOM 52 CB TRP A 4 -3.568 3.629 -0.114 1.00 0.00 C ATOM 53 CG TRP A 4 -4.610 4.362 -0.899 1.00 0.00 C ATOM 54 CD1 TRP A 4 -4.626 5.693 -1.193 1.00 0.00 C ATOM 55 CD2 TRP A 4 -5.786 3.803 -1.490 1.00 0.00 C ATOM 56 NE1 TRP A 4 -5.743 5.999 -1.931 1.00 0.00 N ATOM 57 CE2 TRP A 4 -6.472 4.854 -2.126 1.00 0.00 C ATOM 58 CE3 TRP A 4 -6.325 2.516 -1.542 1.00 0.00 C ATOM 59 CZ2 TRP A 4 -7.668 4.655 -2.808 1.00 0.00 C ATOM 60 CZ3 TRP A 4 -7.512 2.319 -2.218 1.00 0.00 C ATOM 61 CH2 TRP A 4 -8.173 3.384 -2.843 1.00 0.00 C ATOM 0 H TRP A 4 -2.182 5.462 1.691 1.00 0.00 H new ATOM 0 HA TRP A 4 -4.620 3.841 1.757 1.00 0.00 H new ATOM 0 HB2 TRP A 4 -2.583 3.880 -0.508 1.00 0.00 H new ATOM 0 HB3 TRP A 4 -3.705 2.557 -0.255 1.00 0.00 H new ATOM 0 HD1 TRP A 4 -3.871 6.403 -0.890 1.00 0.00 H new ATOM 0 HE1 TRP A 4 -5.990 6.926 -2.277 1.00 0.00 H new ATOM 0 HE3 TRP A 4 -5.822 1.690 -1.062 1.00 0.00 H new ATOM 0 HZ2 TRP A 4 -8.179 5.474 -3.292 1.00 0.00 H new ATOM 0 HZ3 TRP A 4 -7.938 1.328 -2.266 1.00 0.00 H new ATOM 0 HH2 TRP A 4 -9.101 3.198 -3.363 1.00 0.00 H new ATOM 72 N GLU A 5 -3.313 2.228 3.068 1.00 0.00 N ATOM 73 CA GLU A 5 -2.583 1.228 3.840 1.00 0.00 C ATOM 74 C GLU A 5 -2.264 0.022 2.966 1.00 0.00 C ATOM 75 O GLU A 5 -2.864 -0.157 1.909 1.00 0.00 O ATOM 76 CB GLU A 5 -3.390 0.784 5.067 1.00 0.00 C ATOM 77 CG GLU A 5 -4.869 0.566 4.785 1.00 0.00 C ATOM 78 CD GLU A 5 -5.592 -0.099 5.939 1.00 0.00 C ATOM 79 OE1 GLU A 5 -5.164 -1.197 6.355 1.00 0.00 O ATOM 80 OE2 GLU A 5 -6.586 0.476 6.428 1.00 0.00 O ATOM 0 H GLU A 5 -4.299 2.314 3.315 1.00 0.00 H new ATOM 0 HA GLU A 5 -1.653 1.679 4.185 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -2.964 -0.141 5.455 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -3.286 1.536 5.850 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -5.339 1.526 4.571 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -4.978 -0.048 3.891 1.00 0.00 H new ATOM 87 N TYR A 6 -1.317 -0.803 3.405 1.00 0.00 N ATOM 88 CA TYR A 6 -0.935 -1.987 2.643 1.00 0.00 C ATOM 89 C TYR A 6 -0.390 -3.087 3.552 1.00 0.00 C ATOM 90 O TYR A 6 0.425 -2.831 4.439 1.00 0.00 O ATOM 91 CB TYR A 6 0.100 -1.626 1.570 1.00 0.00 C ATOM 92 CG TYR A 6 1.517 -1.494 2.090 1.00 0.00 C ATOM 93 CD1 TYR A 6 2.292 -2.619 2.340 1.00 0.00 C ATOM 94 CD2 TYR A 6 2.078 -0.245 2.327 1.00 0.00 C ATOM 95 CE1 TYR A 6 3.586 -2.504 2.811 1.00 0.00 C ATOM 96 CE2 TYR A 6 3.372 -0.123 2.798 1.00 0.00 C ATOM 97 CZ TYR A 6 4.121 -1.255 3.039 1.00 0.00 C ATOM 98 OH TYR A 6 5.409 -1.136 3.508 1.00 0.00 O ATOM 0 H TYR A 6 -0.804 -0.675 4.277 1.00 0.00 H new ATOM 0 HA TYR A 6 -1.832 -2.368 2.156 1.00 0.00 H new ATOM 0 HB2 TYR A 6 0.081 -2.389 0.792 1.00 0.00 H new ATOM 0 HB3 TYR A 6 -0.192 -0.686 1.102 1.00 0.00 H new ATOM 0 HD1 TYR A 6 1.876 -3.600 2.163 1.00 0.00 H new ATOM 0 HD2 TYR A 6 1.494 0.644 2.140 1.00 0.00 H new ATOM 0 HE1 TYR A 6 4.175 -3.389 3.000 1.00 0.00 H new ATOM 0 HE2 TYR A 6 3.794 0.855 2.976 1.00 0.00 H new ATOM 0 HH TYR A 6 5.686 -1.980 3.922 1.00 0.00 H new ATOM 108 N LYS A 7 -0.839 -4.315 3.309 1.00 0.00 N ATOM 109 CA LYS A 7 -0.395 -5.468 4.083 1.00 0.00 C ATOM 110 C LYS A 7 0.195 -6.525 3.155 1.00 0.00 C ATOM 111 O LYS A 7 -0.425 -6.909 2.164 1.00 0.00 O ATOM 112 CB LYS A 7 -1.557 -6.061 4.885 1.00 0.00 C ATOM 113 CG LYS A 7 -1.177 -7.290 5.694 1.00 0.00 C ATOM 114 CD LYS A 7 -2.399 -8.124 6.045 1.00 0.00 C ATOM 115 CE LYS A 7 -3.203 -7.486 7.167 1.00 0.00 C ATOM 116 NZ LYS A 7 -4.259 -6.575 6.645 1.00 0.00 N ATOM 0 H LYS A 7 -1.514 -4.537 2.577 1.00 0.00 H new ATOM 0 HA LYS A 7 0.374 -5.139 4.782 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -1.947 -5.299 5.560 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -2.363 -6.323 4.200 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -0.471 -7.897 5.127 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -0.670 -6.983 6.608 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -3.029 -8.238 5.163 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -2.085 -9.124 6.344 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -3.664 -8.266 7.773 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -2.533 -6.928 7.822 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -5.077 -6.588 7.287 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -3.883 -5.607 6.583 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -4.556 -6.893 5.700 1.00 0.00 H new ATOM 130 N TRP A 8 1.398 -6.985 3.476 1.00 0.00 N ATOM 131 CA TRP A 8 2.072 -7.989 2.662 1.00 0.00 C ATOM 132 C TRP A 8 1.275 -9.288 2.622 1.00 0.00 C ATOM 133 O TRP A 8 0.946 -9.792 1.549 1.00 0.00 O ATOM 134 CB TRP A 8 3.477 -8.252 3.203 1.00 0.00 C ATOM 135 CG TRP A 8 4.358 -7.040 3.177 1.00 0.00 C ATOM 136 CD1 TRP A 8 4.729 -6.272 4.245 1.00 0.00 C ATOM 137 CD2 TRP A 8 4.976 -6.454 2.027 1.00 0.00 C ATOM 138 NE1 TRP A 8 5.541 -5.246 3.826 1.00 0.00 N ATOM 139 CE2 TRP A 8 5.707 -5.336 2.470 1.00 0.00 C ATOM 140 CE3 TRP A 8 4.983 -6.766 0.664 1.00 0.00 C ATOM 141 CZ2 TRP A 8 6.438 -4.531 1.601 1.00 0.00 C ATOM 142 CZ3 TRP A 8 5.709 -5.965 -0.198 1.00 0.00 C ATOM 143 CH2 TRP A 8 6.428 -4.860 0.273 1.00 0.00 C ATOM 0 H TRP A 8 1.926 -6.679 4.293 1.00 0.00 H new ATOM 0 HA TRP A 8 2.148 -7.604 1.645 1.00 0.00 H new ATOM 0 HB2 TRP A 8 3.402 -8.616 4.228 1.00 0.00 H new ATOM 0 HB3 TRP A 8 3.943 -9.044 2.616 1.00 0.00 H new ATOM 0 HD1 TRP A 8 4.428 -6.446 5.268 1.00 0.00 H new ATOM 0 HE1 TRP A 8 5.953 -4.533 4.428 1.00 0.00 H new ATOM 0 HE3 TRP A 8 4.432 -7.617 0.292 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 6.993 -3.678 1.962 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 5.722 -6.196 -1.253 1.00 0.00 H new ATOM 0 HH2 TRP A 8 6.986 -4.255 -0.426 1.00 0.00 H new ATOM 154 N GLU A 9 0.969 -9.825 3.796 1.00 0.00 N ATOM 155 CA GLU A 9 0.211 -11.067 3.890 1.00 0.00 C ATOM 156 C GLU A 9 -1.287 -10.801 3.783 1.00 0.00 C ATOM 157 O GLU A 9 -1.732 -9.657 3.876 1.00 0.00 O ATOM 158 CB GLU A 9 0.519 -11.781 5.208 1.00 0.00 C ATOM 159 CG GLU A 9 1.996 -12.085 5.404 1.00 0.00 C ATOM 160 CD GLU A 9 2.236 -13.477 5.956 1.00 0.00 C ATOM 161 OE1 GLU A 9 1.438 -13.924 6.806 1.00 0.00 O ATOM 162 OE2 GLU A 9 3.223 -14.119 5.537 1.00 0.00 O ATOM 0 H GLU A 9 1.233 -9.422 4.695 1.00 0.00 H new ATOM 0 HA GLU A 9 0.509 -11.707 3.059 1.00 0.00 H new ATOM 0 HB2 GLU A 9 0.170 -11.164 6.036 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -0.044 -12.714 5.247 1.00 0.00 H new ATOM 0 HG2 GLU A 9 2.514 -11.982 4.451 1.00 0.00 H new ATOM 0 HG3 GLU A 9 2.428 -11.349 6.083 1.00 0.00 H new ATOM 226 N GLU A 15 1.411 -7.637 9.789 1.00 0.00 N ATOM 227 CA GLU A 15 1.789 -6.250 10.018 1.00 0.00 C ATOM 228 C GLU A 15 1.151 -5.352 8.968 1.00 0.00 C ATOM 229 O GLU A 15 1.144 -5.675 7.780 1.00 0.00 O ATOM 230 CB GLU A 15 3.310 -6.087 9.987 1.00 0.00 C ATOM 231 CG GLU A 15 4.064 -7.234 10.641 1.00 0.00 C ATOM 232 CD GLU A 15 5.329 -6.776 11.340 1.00 0.00 C ATOM 233 OE1 GLU A 15 6.323 -6.488 10.642 1.00 0.00 O ATOM 234 OE2 GLU A 15 5.325 -6.704 12.587 1.00 0.00 O ATOM 0 HA GLU A 15 1.430 -5.958 11.005 1.00 0.00 H new ATOM 0 HB2 GLU A 15 3.635 -5.995 8.951 1.00 0.00 H new ATOM 0 HB3 GLU A 15 3.577 -5.157 10.488 1.00 0.00 H new ATOM 0 HG2 GLU A 15 3.413 -7.728 11.362 1.00 0.00 H new ATOM 0 HG3 GLU A 15 4.320 -7.975 9.883 1.00 0.00 H new ATOM 241 N LEU A 16 0.609 -4.232 9.414 1.00 0.00 N ATOM 242 CA LEU A 16 -0.043 -3.292 8.512 1.00 0.00 C ATOM 243 C LEU A 16 0.743 -1.994 8.394 1.00 0.00 C ATOM 244 O LEU A 16 1.391 -1.552 9.343 1.00 0.00 O ATOM 245 CB LEU A 16 -1.465 -2.996 8.988 1.00 0.00 C ATOM 246 CG LEU A 16 -2.552 -3.838 8.317 1.00 0.00 C ATOM 247 CD1 LEU A 16 -3.030 -4.931 9.256 1.00 0.00 C ATOM 248 CD2 LEU A 16 -3.716 -2.961 7.879 1.00 0.00 C ATOM 0 H LEU A 16 0.606 -3.949 10.394 1.00 0.00 H new ATOM 0 HA LEU A 16 -0.082 -3.756 7.526 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -1.514 -3.156 10.065 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -1.680 -1.942 8.812 1.00 0.00 H new ATOM 0 HG LEU A 16 -2.126 -4.307 7.430 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -3.803 -5.521 8.764 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -2.192 -5.577 9.519 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -3.438 -4.481 10.161 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -4.478 -3.579 7.404 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -4.143 -2.462 8.749 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -3.361 -2.213 7.170 1.00 0.00 H new ATOM 260 N TYR A 17 0.674 -1.392 7.215 1.00 0.00 N ATOM 261 CA TYR A 17 1.365 -0.144 6.942 1.00 0.00 C ATOM 262 C TYR A 17 0.665 0.604 5.814 1.00 0.00 C ATOM 263 O TYR A 17 -0.494 0.331 5.505 1.00 0.00 O ATOM 264 CB TYR A 17 2.820 -0.423 6.564 1.00 0.00 C ATOM 265 CG TYR A 17 3.584 -1.204 7.606 1.00 0.00 C ATOM 266 CD1 TYR A 17 3.956 -0.615 8.806 1.00 0.00 C ATOM 267 CD2 TYR A 17 3.945 -2.526 7.383 1.00 0.00 C ATOM 268 CE1 TYR A 17 4.667 -1.321 9.756 1.00 0.00 C ATOM 269 CE2 TYR A 17 4.654 -3.240 8.329 1.00 0.00 C ATOM 270 CZ TYR A 17 5.014 -2.633 9.514 1.00 0.00 C ATOM 271 OH TYR A 17 5.722 -3.340 10.458 1.00 0.00 O ATOM 0 H TYR A 17 0.140 -1.754 6.425 1.00 0.00 H new ATOM 0 HA TYR A 17 1.347 0.474 7.839 1.00 0.00 H new ATOM 0 HB2 TYR A 17 2.842 -0.973 5.623 1.00 0.00 H new ATOM 0 HB3 TYR A 17 3.328 0.525 6.390 1.00 0.00 H new ATOM 0 HD1 TYR A 17 3.685 0.412 9.000 1.00 0.00 H new ATOM 0 HD2 TYR A 17 3.667 -3.004 6.455 1.00 0.00 H new ATOM 0 HE1 TYR A 17 4.950 -0.847 10.684 1.00 0.00 H new ATOM 0 HE2 TYR A 17 4.925 -4.269 8.142 1.00 0.00 H new ATOM 0 HH TYR A 17 5.719 -4.292 10.224 1.00 0.00 H new ATOM 281 N GLY A 18 1.375 1.536 5.194 1.00 0.00 N ATOM 282 CA GLY A 18 0.812 2.290 4.100 1.00 0.00 C ATOM 283 C GLY A 18 0.077 3.551 4.523 1.00 0.00 C ATOM 284 O GLY A 18 -0.845 3.980 3.831 1.00 0.00 O ATOM 0 H GLY A 18 2.336 1.782 5.433 1.00 0.00 H new ATOM 0 HA2 GLY A 18 1.612 2.563 3.412 1.00 0.00 H new ATOM 0 HA3 GLY A 18 0.123 1.650 3.549 1.00 0.00 H new ATOM 288 N PRO A 19 0.461 4.202 5.636 1.00 0.00 N ATOM 289 CA PRO A 19 -0.194 5.434 6.068 1.00 0.00 C ATOM 290 C PRO A 19 0.300 6.640 5.269 1.00 0.00 C ATOM 291 O PRO A 19 0.133 7.788 5.684 1.00 0.00 O ATOM 292 CB PRO A 19 0.223 5.549 7.531 1.00 0.00 C ATOM 293 CG PRO A 19 1.570 4.918 7.578 1.00 0.00 C ATOM 294 CD PRO A 19 1.561 3.819 6.545 1.00 0.00 C ATOM 0 HA PRO A 19 -1.274 5.412 5.923 1.00 0.00 H new ATOM 0 HB2 PRO A 19 0.259 6.589 7.854 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -0.480 5.036 8.187 1.00 0.00 H new ATOM 0 HG2 PRO A 19 2.349 5.649 7.361 1.00 0.00 H new ATOM 0 HG3 PRO A 19 1.777 4.517 8.570 1.00 0.00 H new ATOM 0 HD2 PRO A 19 2.513 3.757 6.018 1.00 0.00 H new ATOM 0 HD3 PRO A 19 1.384 2.844 6.999 1.00 0.00 H new ATOM 302 N PHE A 20 0.917 6.360 4.122 1.00 0.00 N ATOM 303 CA PHE A 20 1.451 7.394 3.248 1.00 0.00 C ATOM 304 C PHE A 20 0.411 7.820 2.219 1.00 0.00 C ATOM 305 O PHE A 20 -0.604 7.148 2.033 1.00 0.00 O ATOM 306 CB PHE A 20 2.711 6.884 2.543 1.00 0.00 C ATOM 307 CG PHE A 20 3.482 5.873 3.348 1.00 0.00 C ATOM 308 CD1 PHE A 20 3.181 4.522 3.260 1.00 0.00 C ATOM 309 CD2 PHE A 20 4.503 6.273 4.196 1.00 0.00 C ATOM 310 CE1 PHE A 20 3.885 3.591 4.000 1.00 0.00 C ATOM 311 CE2 PHE A 20 5.207 5.345 4.940 1.00 0.00 C ATOM 312 CZ PHE A 20 4.898 4.003 4.840 1.00 0.00 C ATOM 0 H PHE A 20 1.059 5.411 3.776 1.00 0.00 H new ATOM 0 HA PHE A 20 1.708 8.262 3.856 1.00 0.00 H new ATOM 0 HB2 PHE A 20 2.429 6.438 1.589 1.00 0.00 H new ATOM 0 HB3 PHE A 20 3.360 7.730 2.320 1.00 0.00 H new ATOM 0 HD1 PHE A 20 2.387 4.194 2.606 1.00 0.00 H new ATOM 0 HD2 PHE A 20 4.751 7.321 4.276 1.00 0.00 H new ATOM 0 HE1 PHE A 20 3.642 2.542 3.920 1.00 0.00 H new ATOM 0 HE2 PHE A 20 5.998 5.669 5.599 1.00 0.00 H new ATOM 0 HZ PHE A 20 5.449 3.277 5.419 1.00 0.00 H new ATOM 322 N THR A 21 0.669 8.938 1.555 1.00 0.00 N ATOM 323 CA THR A 21 -0.244 9.455 0.543 1.00 0.00 C ATOM 324 C THR A 21 -0.273 8.548 -0.680 1.00 0.00 C ATOM 325 O THR A 21 0.729 7.920 -1.022 1.00 0.00 O ATOM 326 CB THR A 21 0.166 10.870 0.132 1.00 0.00 C ATOM 327 OG1 THR A 21 1.506 10.890 -0.327 1.00 0.00 O ATOM 328 CG2 THR A 21 0.051 11.875 1.258 1.00 0.00 C ATOM 0 H THR A 21 1.504 9.506 1.699 1.00 0.00 H new ATOM 0 HA THR A 21 -1.245 9.484 0.975 1.00 0.00 H new ATOM 0 HB THR A 21 -0.527 11.154 -0.660 1.00 0.00 H new ATOM 0 HG1 THR A 21 1.749 11.803 -0.587 1.00 0.00 H new ATOM 0 HG21 THR A 21 0.357 12.858 0.901 1.00 0.00 H new ATOM 0 HG22 THR A 21 -0.982 11.919 1.602 1.00 0.00 H new ATOM 0 HG23 THR A 21 0.696 11.572 2.083 1.00 0.00 H new ATOM 336 N SER A 22 -1.427 8.489 -1.344 1.00 0.00 N ATOM 337 CA SER A 22 -1.581 7.665 -2.539 1.00 0.00 C ATOM 338 C SER A 22 -0.412 7.889 -3.489 1.00 0.00 C ATOM 339 O SER A 22 -0.008 6.990 -4.226 1.00 0.00 O ATOM 340 CB SER A 22 -2.899 7.989 -3.244 1.00 0.00 C ATOM 341 OG SER A 22 -3.134 9.386 -3.270 1.00 0.00 O ATOM 0 H SER A 22 -2.267 9.002 -1.074 1.00 0.00 H new ATOM 0 HA SER A 22 -1.594 6.618 -2.237 1.00 0.00 H new ATOM 0 HB2 SER A 22 -2.875 7.602 -4.263 1.00 0.00 H new ATOM 0 HB3 SER A 22 -3.721 7.488 -2.733 1.00 0.00 H new ATOM 0 HG SER A 22 -3.560 9.662 -2.432 1.00 0.00 H new ATOM 347 N ALA A 23 0.136 9.098 -3.448 1.00 0.00 N ATOM 348 CA ALA A 23 1.270 9.458 -4.280 1.00 0.00 C ATOM 349 C ALA A 23 2.487 8.620 -3.912 1.00 0.00 C ATOM 350 O ALA A 23 3.160 8.065 -4.780 1.00 0.00 O ATOM 351 CB ALA A 23 1.575 10.939 -4.120 1.00 0.00 C ATOM 0 H ALA A 23 -0.193 9.849 -2.841 1.00 0.00 H new ATOM 0 HA ALA A 23 1.022 9.259 -5.323 1.00 0.00 H new ATOM 0 HB1 ALA A 23 2.427 11.205 -4.746 1.00 0.00 H new ATOM 0 HB2 ALA A 23 0.706 11.524 -4.422 1.00 0.00 H new ATOM 0 HB3 ALA A 23 1.811 11.151 -3.077 1.00 0.00 H new ATOM 357 N GLN A 24 2.756 8.528 -2.613 1.00 0.00 N ATOM 358 CA GLN A 24 3.885 7.751 -2.120 1.00 0.00 C ATOM 359 C GLN A 24 3.620 6.261 -2.287 1.00 0.00 C ATOM 360 O GLN A 24 4.537 5.477 -2.535 1.00 0.00 O ATOM 361 CB GLN A 24 4.155 8.078 -0.649 1.00 0.00 C ATOM 362 CG GLN A 24 5.587 7.810 -0.219 1.00 0.00 C ATOM 363 CD GLN A 24 6.604 8.492 -1.112 1.00 0.00 C ATOM 364 OE1 GLN A 24 6.466 9.670 -1.443 1.00 0.00 O ATOM 365 NE2 GLN A 24 7.633 7.753 -1.509 1.00 0.00 N ATOM 0 H GLN A 24 2.206 8.983 -1.884 1.00 0.00 H new ATOM 0 HA GLN A 24 4.766 8.015 -2.705 1.00 0.00 H new ATOM 0 HB2 GLN A 24 3.921 9.127 -0.470 1.00 0.00 H new ATOM 0 HB3 GLN A 24 3.481 7.490 -0.025 1.00 0.00 H new ATOM 0 HG2 GLN A 24 5.724 8.152 0.807 1.00 0.00 H new ATOM 0 HG3 GLN A 24 5.768 6.735 -0.224 1.00 0.00 H new ATOM 0 HE21 GLN A 24 7.708 6.781 -1.211 1.00 0.00 H new ATOM 0 HE22 GLN A 24 8.349 8.158 -2.112 1.00 0.00 H new ATOM 374 N MET A 25 2.355 5.883 -2.161 1.00 0.00 N ATOM 375 CA MET A 25 1.954 4.489 -2.309 1.00 0.00 C ATOM 376 C MET A 25 2.020 4.076 -3.773 1.00 0.00 C ATOM 377 O MET A 25 2.549 3.018 -4.110 1.00 0.00 O ATOM 378 CB MET A 25 0.538 4.277 -1.769 1.00 0.00 C ATOM 379 CG MET A 25 0.475 4.112 -0.258 1.00 0.00 C ATOM 380 SD MET A 25 1.477 2.735 0.335 1.00 0.00 S ATOM 381 CE MET A 25 1.029 1.459 -0.839 1.00 0.00 C ATOM 0 H MET A 25 1.587 6.523 -1.956 1.00 0.00 H new ATOM 0 HA MET A 25 2.642 3.870 -1.734 1.00 0.00 H new ATOM 0 HB2 MET A 25 -0.082 5.125 -2.059 1.00 0.00 H new ATOM 0 HB3 MET A 25 0.108 3.393 -2.240 1.00 0.00 H new ATOM 0 HG2 MET A 25 0.812 5.033 0.218 1.00 0.00 H new ATOM 0 HG3 MET A 25 -0.561 3.958 0.044 1.00 0.00 H new ATOM 0 HE1 MET A 25 1.185 0.479 -0.388 1.00 0.00 H new ATOM 0 HE2 MET A 25 -0.020 1.569 -1.114 1.00 0.00 H new ATOM 0 HE3 MET A 25 1.649 1.551 -1.731 1.00 0.00 H new ATOM 391 N GLN A 26 1.482 4.927 -4.642 1.00 0.00 N ATOM 392 CA GLN A 26 1.483 4.663 -6.075 1.00 0.00 C ATOM 393 C GLN A 26 2.909 4.446 -6.575 1.00 0.00 C ATOM 394 O GLN A 26 3.154 3.599 -7.434 1.00 0.00 O ATOM 395 CB GLN A 26 0.825 5.825 -6.826 1.00 0.00 C ATOM 396 CG GLN A 26 0.950 5.733 -8.339 1.00 0.00 C ATOM 397 CD GLN A 26 0.149 4.586 -8.925 1.00 0.00 C ATOM 398 OE1 GLN A 26 -0.863 4.799 -9.595 1.00 0.00 O ATOM 399 NE2 GLN A 26 0.599 3.361 -8.680 1.00 0.00 N ATOM 0 H GLN A 26 1.039 5.807 -4.377 1.00 0.00 H new ATOM 0 HA GLN A 26 0.910 3.755 -6.264 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -0.231 5.864 -6.561 1.00 0.00 H new ATOM 0 HB3 GLN A 26 1.273 6.761 -6.491 1.00 0.00 H new ATOM 0 HG2 GLN A 26 0.615 6.670 -8.785 1.00 0.00 H new ATOM 0 HG3 GLN A 26 2.000 5.611 -8.606 1.00 0.00 H new ATOM 0 HE21 GLN A 26 1.441 3.230 -8.120 1.00 0.00 H new ATOM 0 HE22 GLN A 26 0.102 2.551 -9.052 1.00 0.00 H new ATOM 408 N THR A 27 3.846 5.214 -6.028 1.00 0.00 N ATOM 409 CA THR A 27 5.246 5.099 -6.414 1.00 0.00 C ATOM 410 C THR A 27 5.787 3.721 -6.054 1.00 0.00 C ATOM 411 O THR A 27 6.217 2.967 -6.925 1.00 0.00 O ATOM 412 CB THR A 27 6.080 6.183 -5.732 1.00 0.00 C ATOM 413 OG1 THR A 27 5.542 7.468 -5.988 1.00 0.00 O ATOM 414 CG2 THR A 27 7.526 6.193 -6.180 1.00 0.00 C ATOM 0 H THR A 27 3.661 5.921 -5.317 1.00 0.00 H new ATOM 0 HA THR A 27 5.315 5.231 -7.494 1.00 0.00 H new ATOM 0 HB THR A 27 6.046 5.947 -4.668 1.00 0.00 H new ATOM 0 HG1 THR A 27 4.710 7.581 -5.483 1.00 0.00 H new ATOM 0 HG21 THR A 27 8.063 6.985 -5.659 1.00 0.00 H new ATOM 0 HG22 THR A 27 7.985 5.231 -5.950 1.00 0.00 H new ATOM 0 HG23 THR A 27 7.573 6.369 -7.255 1.00 0.00 H new ATOM 422 N TRP A 28 5.758 3.396 -4.765 1.00 0.00 N ATOM 423 CA TRP A 28 6.240 2.105 -4.286 1.00 0.00 C ATOM 424 C TRP A 28 5.562 0.958 -5.031 1.00 0.00 C ATOM 425 O TRP A 28 6.201 -0.034 -5.381 1.00 0.00 O ATOM 426 CB TRP A 28 5.980 1.974 -2.786 1.00 0.00 C ATOM 427 CG TRP A 28 7.008 2.663 -1.939 1.00 0.00 C ATOM 428 CD1 TRP A 28 8.361 2.658 -2.122 1.00 0.00 C ATOM 429 CD2 TRP A 28 6.762 3.458 -0.774 1.00 0.00 C ATOM 430 NE1 TRP A 28 8.972 3.403 -1.141 1.00 0.00 N ATOM 431 CE2 TRP A 28 8.012 3.904 -0.302 1.00 0.00 C ATOM 432 CE3 TRP A 28 5.607 3.837 -0.083 1.00 0.00 C ATOM 433 CZ2 TRP A 28 8.137 4.709 0.828 1.00 0.00 C ATOM 434 CZ3 TRP A 28 5.733 4.637 1.038 1.00 0.00 C ATOM 435 CH2 TRP A 28 6.989 5.065 1.483 1.00 0.00 C ATOM 0 H TRP A 28 5.405 4.011 -4.032 1.00 0.00 H new ATOM 0 HA TRP A 28 7.312 2.051 -4.474 1.00 0.00 H new ATOM 0 HB2 TRP A 28 4.997 2.386 -2.558 1.00 0.00 H new ATOM 0 HB3 TRP A 28 5.951 0.917 -2.521 1.00 0.00 H new ATOM 0 HD1 TRP A 28 8.876 2.144 -2.920 1.00 0.00 H new ATOM 0 HE1 TRP A 28 9.976 3.557 -1.052 1.00 0.00 H new ATOM 0 HE3 TRP A 28 4.634 3.511 -0.419 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 9.105 5.040 1.175 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 4.848 4.936 1.579 1.00 0.00 H new ATOM 0 HH2 TRP A 28 7.054 5.689 2.362 1.00 0.00 H new ATOM 446 N VAL A 29 4.264 1.106 -5.266 1.00 0.00 N ATOM 447 CA VAL A 29 3.488 0.089 -5.967 1.00 0.00 C ATOM 448 C VAL A 29 3.882 0.010 -7.439 1.00 0.00 C ATOM 449 O VAL A 29 3.855 -1.063 -8.043 1.00 0.00 O ATOM 450 CB VAL A 29 1.976 0.376 -5.857 1.00 0.00 C ATOM 451 CG1 VAL A 29 1.168 -0.673 -6.604 1.00 0.00 C ATOM 452 CG2 VAL A 29 1.553 0.443 -4.399 1.00 0.00 C ATOM 0 H VAL A 29 3.725 1.923 -4.980 1.00 0.00 H new ATOM 0 HA VAL A 29 3.706 -0.867 -5.492 1.00 0.00 H new ATOM 0 HB VAL A 29 1.778 1.343 -6.318 1.00 0.00 H new ATOM 0 HG11 VAL A 29 0.106 -0.448 -6.511 1.00 0.00 H new ATOM 0 HG12 VAL A 29 1.449 -0.667 -7.657 1.00 0.00 H new ATOM 0 HG13 VAL A 29 1.369 -1.657 -6.180 1.00 0.00 H new ATOM 0 HG21 VAL A 29 0.484 0.646 -4.339 1.00 0.00 H new ATOM 0 HG22 VAL A 29 1.769 -0.509 -3.913 1.00 0.00 H new ATOM 0 HG23 VAL A 29 2.102 1.240 -3.897 1.00 0.00 H new ATOM 462 N SER A 30 4.243 1.153 -8.013 1.00 0.00 N ATOM 463 CA SER A 30 4.637 1.213 -9.418 1.00 0.00 C ATOM 464 C SER A 30 6.138 0.986 -9.584 1.00 0.00 C ATOM 465 O SER A 30 6.582 0.434 -10.590 1.00 0.00 O ATOM 466 CB SER A 30 4.245 2.563 -10.019 1.00 0.00 C ATOM 467 OG SER A 30 4.025 2.457 -11.415 1.00 0.00 O ATOM 0 H SER A 30 4.271 2.050 -7.528 1.00 0.00 H new ATOM 0 HA SER A 30 4.113 0.417 -9.946 1.00 0.00 H new ATOM 0 HB2 SER A 30 3.342 2.932 -9.533 1.00 0.00 H new ATOM 0 HB3 SER A 30 5.032 3.292 -9.826 1.00 0.00 H new ATOM 0 HG SER A 30 3.774 3.334 -11.774 1.00 0.00 H new ATOM 473 N GLU A 31 6.914 1.418 -8.596 1.00 0.00 N ATOM 474 CA GLU A 31 8.365 1.264 -8.639 1.00 0.00 C ATOM 475 C GLU A 31 8.757 -0.199 -8.820 1.00 0.00 C ATOM 476 O GLU A 31 9.639 -0.523 -9.616 1.00 0.00 O ATOM 477 CB GLU A 31 9.000 1.817 -7.362 1.00 0.00 C ATOM 478 CG GLU A 31 10.413 2.342 -7.562 1.00 0.00 C ATOM 479 CD GLU A 31 10.477 3.468 -8.575 1.00 0.00 C ATOM 480 OE1 GLU A 31 9.702 4.438 -8.434 1.00 0.00 O ATOM 481 OE2 GLU A 31 11.302 3.381 -9.507 1.00 0.00 O ATOM 0 H GLU A 31 6.563 1.878 -7.756 1.00 0.00 H new ATOM 0 HA GLU A 31 8.734 1.829 -9.495 1.00 0.00 H new ATOM 0 HB2 GLU A 31 8.374 2.621 -6.974 1.00 0.00 H new ATOM 0 HB3 GLU A 31 9.017 1.032 -6.605 1.00 0.00 H new ATOM 0 HG2 GLU A 31 10.805 2.694 -6.608 1.00 0.00 H new ATOM 0 HG3 GLU A 31 11.057 1.526 -7.890 1.00 0.00 H new ATOM 488 N GLY A 32 8.095 -1.079 -8.078 1.00 0.00 N ATOM 489 CA GLY A 32 8.389 -2.498 -8.172 1.00 0.00 C ATOM 490 C GLY A 32 8.671 -3.132 -6.821 1.00 0.00 C ATOM 491 O GLY A 32 8.919 -4.335 -6.738 1.00 0.00 O ATOM 0 H GLY A 32 7.360 -0.836 -7.413 1.00 0.00 H new ATOM 0 HA2 GLY A 32 7.547 -3.009 -8.639 1.00 0.00 H new ATOM 0 HA3 GLY A 32 9.251 -2.643 -8.823 1.00 0.00 H new ATOM 495 N TYR A 33 8.634 -2.328 -5.760 1.00 0.00 N ATOM 496 CA TYR A 33 8.887 -2.829 -4.414 1.00 0.00 C ATOM 497 C TYR A 33 7.974 -4.008 -4.094 1.00 0.00 C ATOM 498 O TYR A 33 8.360 -4.930 -3.375 1.00 0.00 O ATOM 499 CB TYR A 33 8.684 -1.717 -3.384 1.00 0.00 C ATOM 500 CG TYR A 33 9.942 -0.936 -3.080 1.00 0.00 C ATOM 501 CD1 TYR A 33 10.468 -0.041 -4.005 1.00 0.00 C ATOM 502 CD2 TYR A 33 10.606 -1.094 -1.870 1.00 0.00 C ATOM 503 CE1 TYR A 33 11.618 0.674 -3.732 1.00 0.00 C ATOM 504 CE2 TYR A 33 11.756 -0.381 -1.589 1.00 0.00 C ATOM 505 CZ TYR A 33 12.258 0.501 -2.523 1.00 0.00 C ATOM 506 OH TYR A 33 13.404 1.211 -2.246 1.00 0.00 O ATOM 0 H TYR A 33 8.432 -1.329 -5.808 1.00 0.00 H new ATOM 0 HA TYR A 33 9.922 -3.169 -4.369 1.00 0.00 H new ATOM 0 HB2 TYR A 33 7.920 -1.031 -3.749 1.00 0.00 H new ATOM 0 HB3 TYR A 33 8.305 -2.154 -2.460 1.00 0.00 H new ATOM 0 HD1 TYR A 33 9.969 0.097 -4.953 1.00 0.00 H new ATOM 0 HD2 TYR A 33 10.217 -1.785 -1.137 1.00 0.00 H new ATOM 0 HE1 TYR A 33 12.014 1.365 -4.462 1.00 0.00 H new ATOM 0 HE2 TYR A 33 12.259 -0.514 -0.643 1.00 0.00 H new ATOM 0 HH TYR A 33 13.728 0.973 -1.352 1.00 0.00 H new ATOM 516 N PHE A 34 6.762 -3.972 -4.637 1.00 0.00 N ATOM 517 CA PHE A 34 5.794 -5.039 -4.417 1.00 0.00 C ATOM 518 C PHE A 34 5.665 -5.910 -5.664 1.00 0.00 C ATOM 519 O PHE A 34 4.749 -5.725 -6.466 1.00 0.00 O ATOM 520 CB PHE A 34 4.425 -4.456 -4.042 1.00 0.00 C ATOM 521 CG PHE A 34 4.494 -3.252 -3.139 1.00 0.00 C ATOM 522 CD1 PHE A 34 5.551 -3.083 -2.257 1.00 0.00 C ATOM 523 CD2 PHE A 34 3.496 -2.292 -3.173 1.00 0.00 C ATOM 524 CE1 PHE A 34 5.610 -1.978 -1.429 1.00 0.00 C ATOM 525 CE2 PHE A 34 3.551 -1.185 -2.347 1.00 0.00 C ATOM 526 CZ PHE A 34 4.608 -1.029 -1.475 1.00 0.00 C ATOM 0 H PHE A 34 6.427 -3.215 -5.233 1.00 0.00 H new ATOM 0 HA PHE A 34 6.150 -5.656 -3.592 1.00 0.00 H new ATOM 0 HB2 PHE A 34 3.897 -4.182 -4.955 1.00 0.00 H new ATOM 0 HB3 PHE A 34 3.834 -5.230 -3.552 1.00 0.00 H new ATOM 0 HD1 PHE A 34 6.337 -3.823 -2.217 1.00 0.00 H new ATOM 0 HD2 PHE A 34 2.665 -2.410 -3.853 1.00 0.00 H new ATOM 0 HE1 PHE A 34 6.439 -1.857 -0.747 1.00 0.00 H new ATOM 0 HE2 PHE A 34 2.767 -0.443 -2.384 1.00 0.00 H new ATOM 0 HZ PHE A 34 4.652 -0.165 -0.828 1.00 0.00 H new ATOM 536 N PRO A 35 6.586 -6.872 -5.847 1.00 0.00 N ATOM 537 CA PRO A 35 6.572 -7.768 -7.007 1.00 0.00 C ATOM 538 C PRO A 35 5.264 -8.541 -7.123 1.00 0.00 C ATOM 539 O PRO A 35 4.840 -8.903 -8.221 1.00 0.00 O ATOM 540 CB PRO A 35 7.744 -8.727 -6.749 1.00 0.00 C ATOM 541 CG PRO A 35 8.065 -8.576 -5.300 1.00 0.00 C ATOM 542 CD PRO A 35 7.712 -7.161 -4.945 1.00 0.00 C ATOM 0 HA PRO A 35 6.663 -7.217 -7.943 1.00 0.00 H new ATOM 0 HB2 PRO A 35 7.470 -9.755 -6.986 1.00 0.00 H new ATOM 0 HB3 PRO A 35 8.603 -8.474 -7.371 1.00 0.00 H new ATOM 0 HG2 PRO A 35 7.495 -9.283 -4.698 1.00 0.00 H new ATOM 0 HG3 PRO A 35 9.120 -8.774 -5.111 1.00 0.00 H new ATOM 0 HD2 PRO A 35 7.426 -7.066 -3.897 1.00 0.00 H new ATOM 0 HD3 PRO A 35 8.548 -6.481 -5.111 1.00 0.00 H new ATOM 550 N ASP A 36 4.630 -8.792 -5.984 1.00 0.00 N ATOM 551 CA ASP A 36 3.370 -9.520 -5.954 1.00 0.00 C ATOM 552 C ASP A 36 2.237 -8.630 -5.444 1.00 0.00 C ATOM 553 O ASP A 36 1.166 -9.118 -5.086 1.00 0.00 O ATOM 554 CB ASP A 36 3.512 -10.757 -5.067 1.00 0.00 C ATOM 555 CG ASP A 36 2.241 -11.581 -5.003 1.00 0.00 C ATOM 556 OD1 ASP A 36 1.675 -11.886 -6.074 1.00 0.00 O ATOM 557 OD2 ASP A 36 1.811 -11.923 -3.881 1.00 0.00 O ATOM 0 H ASP A 36 4.970 -8.501 -5.067 1.00 0.00 H new ATOM 0 HA ASP A 36 3.123 -9.831 -6.969 1.00 0.00 H new ATOM 0 HB2 ASP A 36 4.324 -11.378 -5.445 1.00 0.00 H new ATOM 0 HB3 ASP A 36 3.790 -10.447 -4.060 1.00 0.00 H new ATOM 562 N GLY A 37 2.479 -7.321 -5.408 1.00 0.00 N ATOM 563 CA GLY A 37 1.469 -6.398 -4.936 1.00 0.00 C ATOM 564 C GLY A 37 1.297 -6.461 -3.433 1.00 0.00 C ATOM 565 O GLY A 37 2.123 -7.046 -2.731 1.00 0.00 O ATOM 0 H GLY A 37 3.356 -6.887 -5.697 1.00 0.00 H new ATOM 0 HA2 GLY A 37 1.741 -5.383 -5.227 1.00 0.00 H new ATOM 0 HA3 GLY A 37 0.518 -6.624 -5.419 1.00 0.00 H new ATOM 569 N VAL A 38 0.223 -5.862 -2.936 1.00 0.00 N ATOM 570 CA VAL A 38 -0.050 -5.857 -1.507 1.00 0.00 C ATOM 571 C VAL A 38 -1.514 -5.544 -1.231 1.00 0.00 C ATOM 572 O VAL A 38 -2.218 -5.010 -2.087 1.00 0.00 O ATOM 573 CB VAL A 38 0.828 -4.828 -0.767 1.00 0.00 C ATOM 574 CG1 VAL A 38 2.235 -5.369 -0.569 1.00 0.00 C ATOM 575 CG2 VAL A 38 0.864 -3.508 -1.523 1.00 0.00 C ATOM 0 H VAL A 38 -0.472 -5.374 -3.501 1.00 0.00 H new ATOM 0 HA VAL A 38 0.185 -6.856 -1.138 1.00 0.00 H new ATOM 0 HB VAL A 38 0.388 -4.648 0.214 1.00 0.00 H new ATOM 0 HG11 VAL A 38 2.839 -4.628 -0.045 1.00 0.00 H new ATOM 0 HG12 VAL A 38 2.193 -6.285 0.020 1.00 0.00 H new ATOM 0 HG13 VAL A 38 2.683 -5.582 -1.540 1.00 0.00 H new ATOM 0 HG21 VAL A 38 1.489 -2.797 -0.983 1.00 0.00 H new ATOM 0 HG22 VAL A 38 1.276 -3.670 -2.519 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -0.147 -3.110 -1.609 1.00 0.00 H new ATOM 585 N TYR A 39 -1.965 -5.873 -0.026 1.00 0.00 N ATOM 586 CA TYR A 39 -3.342 -5.620 0.366 1.00 0.00 C ATOM 587 C TYR A 39 -3.549 -4.132 0.609 1.00 0.00 C ATOM 588 O TYR A 39 -3.490 -3.664 1.745 1.00 0.00 O ATOM 589 CB TYR A 39 -3.682 -6.418 1.626 1.00 0.00 C ATOM 590 CG TYR A 39 -4.741 -7.475 1.411 1.00 0.00 C ATOM 591 CD1 TYR A 39 -4.760 -8.240 0.251 1.00 0.00 C ATOM 592 CD2 TYR A 39 -5.721 -7.707 2.367 1.00 0.00 C ATOM 593 CE1 TYR A 39 -5.726 -9.208 0.051 1.00 0.00 C ATOM 594 CE2 TYR A 39 -6.691 -8.674 2.174 1.00 0.00 C ATOM 595 CZ TYR A 39 -6.689 -9.420 1.015 1.00 0.00 C ATOM 596 OH TYR A 39 -7.653 -10.382 0.819 1.00 0.00 O ATOM 0 H TYR A 39 -1.395 -6.316 0.695 1.00 0.00 H new ATOM 0 HA TYR A 39 -4.006 -5.938 -0.438 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -2.776 -6.895 1.998 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -4.021 -5.730 2.400 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -4.008 -8.075 -0.506 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -5.726 -7.123 3.276 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -5.727 -9.795 -0.855 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -7.446 -8.844 2.927 1.00 0.00 H new ATOM 0 HH TYR A 39 -8.254 -10.405 1.593 1.00 0.00 H new ATOM 606 N CYS A 40 -3.770 -3.389 -0.470 1.00 0.00 N ATOM 607 CA CYS A 40 -3.962 -1.947 -0.377 1.00 0.00 C ATOM 608 C CYS A 40 -5.419 -1.583 -0.117 1.00 0.00 C ATOM 609 O CYS A 40 -6.335 -2.297 -0.525 1.00 0.00 O ATOM 610 CB CYS A 40 -3.478 -1.266 -1.658 1.00 0.00 C ATOM 611 SG CYS A 40 -1.752 -0.728 -1.599 1.00 0.00 S ATOM 0 H CYS A 40 -3.821 -3.761 -1.418 1.00 0.00 H new ATOM 0 HA CYS A 40 -3.374 -1.593 0.470 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -3.605 -1.955 -2.493 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -4.111 -0.401 -1.859 1.00 0.00 H new ATOM 0 HG CYS A 40 -1.676 0.524 -1.940 1.00 0.00 H new ATOM 617 N ARG A 41 -5.616 -0.454 0.557 1.00 0.00 N ATOM 618 CA ARG A 41 -6.950 0.039 0.879 1.00 0.00 C ATOM 619 C ARG A 41 -6.856 1.353 1.652 1.00 0.00 C ATOM 620 O ARG A 41 -5.951 1.537 2.466 1.00 0.00 O ATOM 621 CB ARG A 41 -7.736 -1.005 1.686 1.00 0.00 C ATOM 622 CG ARG A 41 -7.453 -0.981 3.184 1.00 0.00 C ATOM 623 CD ARG A 41 -8.345 -1.956 3.942 1.00 0.00 C ATOM 624 NE ARG A 41 -9.677 -2.064 3.349 1.00 0.00 N ATOM 625 CZ ARG A 41 -10.585 -1.092 3.381 1.00 0.00 C ATOM 626 NH1 ARG A 41 -10.312 0.060 3.980 1.00 0.00 N ATOM 627 NH2 ARG A 41 -11.770 -1.273 2.815 1.00 0.00 N ATOM 0 H ARG A 41 -4.860 0.142 0.894 1.00 0.00 H new ATOM 0 HA ARG A 41 -7.484 0.220 -0.054 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -8.802 -0.843 1.527 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -7.503 -1.997 1.300 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -6.407 -1.232 3.361 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -7.608 0.027 3.567 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -7.875 -2.939 3.956 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -8.436 -1.631 4.979 1.00 0.00 H new ATOM 0 HE ARG A 41 -9.925 -2.937 2.883 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -9.402 0.204 4.419 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -11.012 0.802 4.002 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -11.986 -2.157 2.355 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -12.466 -0.528 2.840 1.00 0.00 H new ATOM 641 N LYS A 42 -7.790 2.261 1.396 1.00 0.00 N ATOM 642 CA LYS A 42 -7.807 3.548 2.069 1.00 0.00 C ATOM 643 C LYS A 42 -7.834 3.369 3.583 1.00 0.00 C ATOM 644 O LYS A 42 -8.629 2.595 4.115 1.00 0.00 O ATOM 645 CB LYS A 42 -9.018 4.356 1.610 1.00 0.00 C ATOM 646 CG LYS A 42 -9.190 4.391 0.099 1.00 0.00 C ATOM 647 CD LYS A 42 -10.283 5.362 -0.315 1.00 0.00 C ATOM 648 CE LYS A 42 -11.024 4.873 -1.550 1.00 0.00 C ATOM 649 NZ LYS A 42 -12.501 4.991 -1.394 1.00 0.00 N ATOM 0 H LYS A 42 -8.546 2.126 0.725 1.00 0.00 H new ATOM 0 HA LYS A 42 -6.897 4.088 1.808 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -9.917 3.935 2.060 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -8.925 5.377 1.980 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -8.249 4.680 -0.369 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -9.433 3.392 -0.264 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -10.988 5.490 0.507 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -9.846 6.340 -0.515 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -10.703 5.449 -2.418 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -10.761 3.833 -1.743 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -12.970 4.648 -2.257 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -12.811 4.421 -0.581 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -12.755 5.987 -1.235 1.00 0.00 H new ATOM 663 N LEU A 43 -6.955 4.092 4.269 1.00 0.00 N ATOM 664 CA LEU A 43 -6.864 4.019 5.724 1.00 0.00 C ATOM 665 C LEU A 43 -8.241 4.163 6.368 1.00 0.00 C ATOM 666 O LEU A 43 -8.505 3.595 7.428 1.00 0.00 O ATOM 667 CB LEU A 43 -5.926 5.107 6.250 1.00 0.00 C ATOM 668 CG LEU A 43 -4.599 5.242 5.495 1.00 0.00 C ATOM 669 CD1 LEU A 43 -3.781 6.387 6.059 1.00 0.00 C ATOM 670 CD2 LEU A 43 -3.810 3.945 5.561 1.00 0.00 C ATOM 0 H LEU A 43 -6.293 4.738 3.839 1.00 0.00 H new ATOM 0 HA LEU A 43 -6.463 3.041 5.988 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -6.447 6.064 6.212 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -5.710 4.903 7.299 1.00 0.00 H new ATOM 0 HG LEU A 43 -4.821 5.457 4.450 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -2.842 6.468 5.511 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -4.340 7.317 5.960 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -3.571 6.200 7.112 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -2.872 4.062 5.019 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -3.600 3.700 6.602 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -4.392 3.142 5.109 1.00 0.00 H new ATOM 753 N PHE A 50 -10.269 -5.162 1.701 1.00 0.00 N ATOM 754 CA PHE A 50 -8.959 -4.834 1.140 1.00 0.00 C ATOM 755 C PHE A 50 -8.944 -5.002 -0.378 1.00 0.00 C ATOM 756 O PHE A 50 -9.853 -5.597 -0.957 1.00 0.00 O ATOM 757 CB PHE A 50 -7.881 -5.721 1.769 1.00 0.00 C ATOM 758 CG PHE A 50 -7.122 -5.053 2.878 1.00 0.00 C ATOM 759 CD1 PHE A 50 -6.142 -4.114 2.600 1.00 0.00 C ATOM 760 CD2 PHE A 50 -7.390 -5.366 4.201 1.00 0.00 C ATOM 761 CE1 PHE A 50 -5.442 -3.500 3.622 1.00 0.00 C ATOM 762 CE2 PHE A 50 -6.693 -4.755 5.226 1.00 0.00 C ATOM 763 CZ PHE A 50 -5.718 -3.821 4.936 1.00 0.00 C ATOM 0 HA PHE A 50 -8.751 -3.789 1.368 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -8.348 -6.627 2.155 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -7.179 -6.029 0.994 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -5.922 -3.859 1.574 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -8.152 -6.095 4.434 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -4.680 -2.770 3.393 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -6.911 -5.008 6.253 1.00 0.00 H new ATOM 0 HZ PHE A 50 -5.172 -3.342 5.736 1.00 0.00 H new ATOM 773 N TYR A 51 -7.903 -4.475 -1.013 1.00 0.00 N ATOM 774 CA TYR A 51 -7.761 -4.565 -2.462 1.00 0.00 C ATOM 775 C TYR A 51 -6.290 -4.563 -2.860 1.00 0.00 C ATOM 776 O TYR A 51 -5.518 -3.713 -2.415 1.00 0.00 O ATOM 777 CB TYR A 51 -8.489 -3.405 -3.141 1.00 0.00 C ATOM 778 CG TYR A 51 -9.973 -3.640 -3.319 1.00 0.00 C ATOM 779 CD1 TYR A 51 -10.457 -4.356 -4.407 1.00 0.00 C ATOM 780 CD2 TYR A 51 -10.888 -3.145 -2.399 1.00 0.00 C ATOM 781 CE1 TYR A 51 -11.813 -4.572 -4.572 1.00 0.00 C ATOM 782 CE2 TYR A 51 -12.245 -3.357 -2.557 1.00 0.00 C ATOM 783 CZ TYR A 51 -12.701 -4.071 -3.646 1.00 0.00 C ATOM 784 OH TYR A 51 -14.051 -4.284 -3.805 1.00 0.00 O ATOM 0 H TYR A 51 -7.143 -3.980 -0.546 1.00 0.00 H new ATOM 0 HA TYR A 51 -8.208 -5.503 -2.791 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -8.341 -2.500 -2.552 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -8.039 -3.226 -4.117 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -9.763 -4.750 -5.135 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -10.534 -2.585 -1.546 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -12.174 -5.131 -5.423 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -12.944 -2.966 -1.832 1.00 0.00 H new ATOM 0 HH TYR A 51 -14.538 -3.866 -3.064 1.00 0.00 H new ATOM 794 N ASN A 52 -5.905 -5.519 -3.700 1.00 0.00 N ATOM 795 CA ASN A 52 -4.523 -5.628 -4.157 1.00 0.00 C ATOM 796 C ASN A 52 -4.051 -4.319 -4.782 1.00 0.00 C ATOM 797 O ASN A 52 -4.718 -3.757 -5.650 1.00 0.00 O ATOM 798 CB ASN A 52 -4.386 -6.767 -5.167 1.00 0.00 C ATOM 799 CG ASN A 52 -2.939 -7.055 -5.520 1.00 0.00 C ATOM 800 OD1 ASN A 52 -2.571 -7.095 -6.694 1.00 0.00 O ATOM 801 ND2 ASN A 52 -2.111 -7.258 -4.502 1.00 0.00 N ATOM 0 H ASN A 52 -6.531 -6.230 -4.078 1.00 0.00 H new ATOM 0 HA ASN A 52 -3.897 -5.842 -3.291 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -4.844 -7.668 -4.759 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -4.935 -6.513 -6.074 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -1.126 -7.457 -4.678 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -2.460 -7.215 -3.544 1.00 0.00 H new ATOM 808 N SER A 53 -2.893 -3.839 -4.335 1.00 0.00 N ATOM 809 CA SER A 53 -2.329 -2.595 -4.851 1.00 0.00 C ATOM 810 C SER A 53 -2.227 -2.631 -6.372 1.00 0.00 C ATOM 811 O SER A 53 -2.361 -1.604 -7.038 1.00 0.00 O ATOM 812 CB SER A 53 -0.948 -2.345 -4.241 1.00 0.00 C ATOM 813 OG SER A 53 0.061 -3.034 -4.959 1.00 0.00 O ATOM 0 H SER A 53 -2.328 -4.292 -3.617 1.00 0.00 H new ATOM 0 HA SER A 53 -2.996 -1.780 -4.570 1.00 0.00 H new ATOM 0 HB2 SER A 53 -0.734 -1.276 -4.243 1.00 0.00 H new ATOM 0 HB3 SER A 53 -0.943 -2.669 -3.200 1.00 0.00 H new ATOM 0 HG SER A 53 -0.120 -3.997 -4.935 1.00 0.00 H new ATOM 819 N LYS A 54 -1.994 -3.821 -6.914 1.00 0.00 N ATOM 820 CA LYS A 54 -1.880 -3.994 -8.357 1.00 0.00 C ATOM 821 C LYS A 54 -3.257 -4.019 -9.022 1.00 0.00 C ATOM 822 O LYS A 54 -3.360 -4.098 -10.246 1.00 0.00 O ATOM 823 CB LYS A 54 -1.120 -5.284 -8.677 1.00 0.00 C ATOM 824 CG LYS A 54 0.118 -5.064 -9.532 1.00 0.00 C ATOM 825 CD LYS A 54 1.390 -5.126 -8.702 1.00 0.00 C ATOM 826 CE LYS A 54 2.630 -5.129 -9.581 1.00 0.00 C ATOM 827 NZ LYS A 54 3.806 -5.715 -8.881 1.00 0.00 N ATOM 0 H LYS A 54 -1.880 -4.680 -6.376 1.00 0.00 H new ATOM 0 HA LYS A 54 -1.326 -3.144 -8.755 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -0.826 -5.764 -7.744 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -1.790 -5.972 -9.192 1.00 0.00 H new ATOM 0 HG2 LYS A 54 0.158 -5.819 -10.317 1.00 0.00 H new ATOM 0 HG3 LYS A 54 0.052 -4.095 -10.026 1.00 0.00 H new ATOM 0 HD2 LYS A 54 1.425 -4.273 -8.024 1.00 0.00 H new ATOM 0 HD3 LYS A 54 1.379 -6.024 -8.084 1.00 0.00 H new ATOM 0 HE2 LYS A 54 2.429 -5.696 -10.490 1.00 0.00 H new ATOM 0 HE3 LYS A 54 2.861 -4.108 -9.886 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 4.681 -5.390 -9.340 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 3.804 -5.412 -7.886 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 3.756 -6.753 -8.927 1.00 0.00 H new ATOM 841 N ARG A 55 -4.314 -3.954 -8.212 1.00 0.00 N ATOM 842 CA ARG A 55 -5.676 -3.971 -8.735 1.00 0.00 C ATOM 843 C ARG A 55 -6.420 -2.677 -8.404 1.00 0.00 C ATOM 844 O ARG A 55 -7.608 -2.544 -8.701 1.00 0.00 O ATOM 845 CB ARG A 55 -6.442 -5.171 -8.176 1.00 0.00 C ATOM 846 CG ARG A 55 -7.359 -5.835 -9.190 1.00 0.00 C ATOM 847 CD ARG A 55 -8.393 -6.720 -8.513 1.00 0.00 C ATOM 848 NE ARG A 55 -7.786 -7.893 -7.888 1.00 0.00 N ATOM 849 CZ ARG A 55 -8.406 -8.662 -6.997 1.00 0.00 C ATOM 850 NH1 ARG A 55 -9.650 -8.388 -6.623 1.00 0.00 N ATOM 851 NH2 ARG A 55 -7.780 -9.709 -6.477 1.00 0.00 N ATOM 0 H ARG A 55 -4.252 -3.889 -7.196 1.00 0.00 H new ATOM 0 HA ARG A 55 -5.614 -4.056 -9.820 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -5.728 -5.908 -7.808 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -7.035 -4.846 -7.321 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -7.864 -5.070 -9.780 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -6.765 -6.432 -9.882 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -8.926 -6.142 -7.758 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -9.131 -7.042 -9.248 1.00 0.00 H new ATOM 0 HE ARG A 55 -6.831 -8.136 -8.150 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -10.136 -7.584 -7.019 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -10.120 -8.982 -5.939 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -6.824 -9.924 -6.760 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -8.254 -10.299 -5.794 1.00 0.00 H new ATOM 865 N ILE A 56 -5.720 -1.726 -7.792 1.00 0.00 N ATOM 866 CA ILE A 56 -6.324 -0.447 -7.432 1.00 0.00 C ATOM 867 C ILE A 56 -5.937 0.637 -8.432 1.00 0.00 C ATOM 868 O ILE A 56 -4.890 0.561 -9.074 1.00 0.00 O ATOM 869 CB ILE A 56 -5.913 -0.007 -6.010 1.00 0.00 C ATOM 870 CG1 ILE A 56 -6.428 -1.015 -4.976 1.00 0.00 C ATOM 871 CG2 ILE A 56 -6.436 1.391 -5.705 1.00 0.00 C ATOM 872 CD1 ILE A 56 -6.280 -0.549 -3.542 1.00 0.00 C ATOM 0 H ILE A 56 -4.737 -1.816 -7.536 1.00 0.00 H new ATOM 0 HA ILE A 56 -7.405 -0.585 -7.453 1.00 0.00 H new ATOM 0 HB ILE A 56 -4.825 0.022 -5.957 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -7.480 -1.220 -5.175 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -5.891 -1.955 -5.100 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -6.135 1.681 -4.698 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -6.024 2.099 -6.425 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -7.524 1.395 -5.774 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -6.666 -1.315 -2.869 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -5.227 -0.372 -3.324 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -6.841 0.375 -3.400 1.00 0.00 H new ATOM 884 N ASP A 57 -6.792 1.646 -8.559 1.00 0.00 N ATOM 885 CA ASP A 57 -6.545 2.749 -9.481 1.00 0.00 C ATOM 886 C ASP A 57 -6.218 4.031 -8.724 1.00 0.00 C ATOM 887 O ASP A 57 -7.080 4.891 -8.540 1.00 0.00 O ATOM 888 CB ASP A 57 -7.762 2.971 -10.380 1.00 0.00 C ATOM 889 CG ASP A 57 -7.421 3.750 -11.635 1.00 0.00 C ATOM 890 OD1 ASP A 57 -6.784 4.818 -11.517 1.00 0.00 O ATOM 891 OD2 ASP A 57 -7.792 3.293 -12.737 1.00 0.00 O ATOM 0 H ASP A 57 -7.663 1.723 -8.034 1.00 0.00 H new ATOM 0 HA ASP A 57 -5.687 2.486 -10.099 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -8.185 2.006 -10.659 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -8.530 3.506 -9.821 1.00 0.00 H new ATOM 896 N PHE A 58 -4.970 4.155 -8.288 1.00 0.00 N ATOM 897 CA PHE A 58 -4.530 5.337 -7.552 1.00 0.00 C ATOM 898 C PHE A 58 -4.745 6.605 -8.374 1.00 0.00 C ATOM 899 O PHE A 58 -4.834 7.704 -7.825 1.00 0.00 O ATOM 900 CB PHE A 58 -3.055 5.209 -7.170 1.00 0.00 C ATOM 901 CG PHE A 58 -2.771 4.077 -6.225 1.00 0.00 C ATOM 902 CD1 PHE A 58 -3.043 4.201 -4.872 1.00 0.00 C ATOM 903 CD2 PHE A 58 -2.229 2.889 -6.689 1.00 0.00 C ATOM 904 CE1 PHE A 58 -2.781 3.161 -3.999 1.00 0.00 C ATOM 905 CE2 PHE A 58 -1.964 1.847 -5.823 1.00 0.00 C ATOM 906 CZ PHE A 58 -2.239 1.983 -4.475 1.00 0.00 C ATOM 0 H PHE A 58 -4.244 3.453 -8.431 1.00 0.00 H new ATOM 0 HA PHE A 58 -5.129 5.408 -6.644 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -2.465 5.071 -8.076 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -2.725 6.142 -6.714 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -3.465 5.121 -4.495 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -2.011 2.777 -7.741 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -3.000 3.270 -2.947 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -1.542 0.926 -6.198 1.00 0.00 H new ATOM 0 HZ PHE A 58 -2.030 1.170 -3.795 1.00 0.00 H new ATOM 916 N ASP A 59 -4.827 6.445 -9.690 1.00 0.00 N ATOM 917 CA ASP A 59 -5.031 7.577 -10.587 1.00 0.00 C ATOM 918 C ASP A 59 -6.479 8.065 -10.552 1.00 0.00 C ATOM 919 O ASP A 59 -6.810 9.088 -11.152 1.00 0.00 O ATOM 920 CB ASP A 59 -4.646 7.194 -12.017 1.00 0.00 C ATOM 921 CG ASP A 59 -3.236 6.646 -12.110 1.00 0.00 C ATOM 922 OD1 ASP A 59 -2.333 7.218 -11.463 1.00 0.00 O ATOM 923 OD2 ASP A 59 -3.034 5.646 -12.831 1.00 0.00 O ATOM 0 H ASP A 59 -4.755 5.542 -10.160 1.00 0.00 H new ATOM 0 HA ASP A 59 -4.391 8.391 -10.245 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -5.348 6.449 -12.392 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -4.736 8.069 -12.661 1.00 0.00 H new ATOM 928 N LEU A 60 -7.341 7.332 -9.851 1.00 0.00 N ATOM 929 CA LEU A 60 -8.744 7.698 -9.747 1.00 0.00 C ATOM 930 C LEU A 60 -9.014 8.474 -8.463 1.00 0.00 C ATOM 931 O LEU A 60 -10.118 8.430 -7.919 1.00 0.00 O ATOM 932 CB LEU A 60 -9.626 6.449 -9.797 1.00 0.00 C ATOM 933 CG LEU A 60 -9.905 5.906 -11.200 1.00 0.00 C ATOM 934 CD1 LEU A 60 -10.583 4.547 -11.122 1.00 0.00 C ATOM 935 CD2 LEU A 60 -10.760 6.886 -11.988 1.00 0.00 C ATOM 0 H LEU A 60 -7.089 6.481 -9.348 1.00 0.00 H new ATOM 0 HA LEU A 60 -8.987 8.340 -10.594 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -9.151 5.664 -9.209 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -10.578 6.676 -9.316 1.00 0.00 H new ATOM 0 HG LEU A 60 -8.954 5.784 -11.718 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -10.773 4.177 -12.129 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -9.935 3.847 -10.595 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -11.527 4.642 -10.586 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -10.949 6.485 -12.984 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -11.708 7.039 -11.472 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -10.236 7.838 -12.074 1.00 0.00 H new ATOM 1067 N PRO B 68 10.241 1.073 2.293 1.00 0.01 N ATOM 1068 CA PRO B 68 8.937 1.074 2.963 1.00 0.00 C ATOM 1069 C PRO B 68 8.934 0.187 4.205 1.00 0.01 C ATOM 1070 O PRO B 68 9.828 -0.639 4.387 1.00 0.00 O ATOM 1071 CB PRO B 68 7.988 0.514 1.901 1.00 0.01 C ATOM 1072 CG PRO B 68 8.856 -0.301 1.008 1.00 0.01 C ATOM 1073 CD PRO B 68 10.191 0.391 0.987 1.00 0.00 C ATOM 0 HA PRO B 68 8.657 2.066 3.316 1.00 0.00 H new ATOM 0 HB2 PRO B 68 7.203 -0.093 2.352 1.00 0.01 H new ATOM 0 HB3 PRO B 68 7.494 1.314 1.350 1.00 0.01 H new ATOM 0 HG2 PRO B 68 8.951 -1.321 1.380 1.00 0.01 H new ATOM 0 HG3 PRO B 68 8.434 -0.365 0.005 1.00 0.01 H new ATOM 0 HD2 PRO B 68 11.010 -0.319 0.872 1.00 0.00 H new ATOM 0 HD3 PRO B 68 10.264 1.098 0.161 1.00 0.00 H new ATOM 1081 N PRO B 69 7.925 0.342 5.079 1.00 0.01 N ATOM 1082 CA PRO B 69 7.818 -0.455 6.302 1.00 0.01 C ATOM 1083 C PRO B 69 7.706 -1.943 6.012 1.00 0.01 C ATOM 1084 O PRO B 69 7.770 -2.372 4.861 1.00 0.01 O ATOM 1085 CB PRO B 69 6.534 0.044 6.970 1.00 0.01 C ATOM 1086 CG PRO B 69 5.787 0.777 5.908 1.00 0.00 C ATOM 1087 CD PRO B 69 6.815 1.298 4.941 1.00 0.01 C ATOM 0 HA PRO B 69 8.705 -0.340 6.925 1.00 0.01 H new ATOM 0 HB2 PRO B 69 5.946 -0.787 7.360 1.00 0.01 H new ATOM 0 HB3 PRO B 69 6.759 0.698 7.813 1.00 0.01 H new ATOM 0 HG2 PRO B 69 5.081 0.116 5.405 1.00 0.00 H new ATOM 0 HG3 PRO B 69 5.208 1.595 6.336 1.00 0.00 H new ATOM 0 HD2 PRO B 69 6.431 1.324 3.921 1.00 0.01 H new ATOM 0 HD3 PRO B 69 7.125 2.313 5.191 1.00 0.01 H new ATOM 1095 N GLY B 70 7.535 -2.721 7.069 1.00 0.44 N ATOM 1096 CA GLY B 70 7.410 -4.155 6.924 1.00 0.65 C ATOM 1097 C GLY B 70 8.714 -4.813 6.522 1.00 0.50 C ATOM 1098 O GLY B 70 9.326 -5.522 7.318 1.00 0.56 O ATOM 0 H GLY B 70 7.480 -2.382 8.030 1.00 0.44 H new ATOM 0 HA2 GLY B 70 7.066 -4.583 7.865 1.00 0.65 H new ATOM 0 HA3 GLY B 70 6.649 -4.376 6.176 1.00 0.65 H new