USER MOD reduce.3.24.130724 H: found=0, std=0, add=972, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 972 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 Single : A 1 GLY N :NH3+ -114:sc= 0.0782 (180deg=0) USER MOD Single : A 4 ASN : amide:sc= -0.688 K(o=-0.69,f=-3.4!) USER MOD Single : A 8 ASN : amide:sc= -0.229 K(o=-0.23,f=-0.9) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot 180:sc=-0.00815 USER MOD Single : A 24 SER OG : rot 150:sc= 0 USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 ASN : amide:sc= -0.131 X(o=-0.13,f=-0.016) USER MOD Single : A 30 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=-0.36) USER MOD Single : A 37 THR OG1 : rot 72:sc= 0.612 USER MOD Single : A 38 ASN : amide:sc= -0.506 K(o=-0.51,f=0.012) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0.00687 USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 157:sc= 0.00167 (180deg=0) USER MOD Single : A 46 SER OG : rot -170:sc= -0.282 USER MOD Single : A 49 CYS SG : rot 77:sc= -0.485 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 SER OG : rot 61:sc= 0.335 USER MOD Single : A 64 GLN : amide:sc= 0 X(o=0,f=-0.012) USER MOD Single : A 67 ASN : amide:sc= -13.8! C(o=-14!,f=-31!) USER MOD Single : A 68 ASN : amide:sc= -0.136 X(o=-0.14,f=0) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 GLN : amide:sc= -0.505 X(o=-0.51,f=-0.21) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 GLN : amide:sc= 0 X(o=0,f=-0.28) USER MOD Single : A 83 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 84 HIS : no HD1:sc= 1.07 K(o=1.1,f=-4.3!) USER MOD Single : A 91 GLN : amide:sc= 0 X(o=0,f=0.04) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 THR OG1 : rot 180:sc= -0.51 USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 108 THR OG1 : rot 180:sc= 0.0365 USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 LYS NZ :NH3+ 147:sc= -0.345 (180deg=-1.52!) USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -1.800 -21.080 -12.152 1.00 0.00 N ATOM 2 CA GLY A 1 -1.378 -20.382 -10.906 1.00 0.00 C ATOM 3 C GLY A 1 -2.155 -19.101 -10.667 1.00 0.00 C ATOM 4 O GLY A 1 -2.979 -18.712 -11.496 1.00 0.00 O ATOM 0 H1 GLY A 1 -2.244 -21.988 -11.908 1.00 0.00 H new ATOM 0 H2 GLY A 1 -2.483 -20.488 -12.667 1.00 0.00 H new ATOM 0 H3 GLY A 1 -0.968 -21.251 -12.753 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -1.514 -21.050 -10.055 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -0.314 -20.152 -10.964 1.00 0.00 H new ATOM 10 N PRO A 2 -1.914 -18.419 -9.533 1.00 0.00 N ATOM 11 CA PRO A 2 -2.605 -17.169 -9.198 1.00 0.00 C ATOM 12 C PRO A 2 -2.466 -16.118 -10.294 1.00 0.00 C ATOM 13 O PRO A 2 -1.440 -16.047 -10.972 1.00 0.00 O ATOM 14 CB PRO A 2 -1.905 -16.700 -7.918 1.00 0.00 C ATOM 15 CG PRO A 2 -1.325 -17.938 -7.325 1.00 0.00 C ATOM 16 CD PRO A 2 -0.951 -18.814 -8.487 1.00 0.00 C ATOM 0 HA PRO A 2 -3.678 -17.320 -9.080 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -1.130 -15.966 -8.138 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -2.608 -16.226 -7.234 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -0.453 -17.707 -6.713 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -2.046 -18.436 -6.677 1.00 0.00 H new ATOM 0 HD2 PRO A 2 0.078 -18.645 -8.803 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -1.039 -19.872 -8.238 1.00 0.00 H new ATOM 24 N VAL A 3 -3.505 -15.305 -10.463 1.00 0.00 N ATOM 25 CA VAL A 3 -3.499 -14.259 -11.479 1.00 0.00 C ATOM 26 C VAL A 3 -3.242 -12.889 -10.859 1.00 0.00 C ATOM 27 O VAL A 3 -2.279 -12.208 -11.213 1.00 0.00 O ATOM 28 CB VAL A 3 -4.832 -14.217 -12.251 1.00 0.00 C ATOM 29 CG1 VAL A 3 -4.710 -13.332 -13.482 1.00 0.00 C ATOM 30 CG2 VAL A 3 -5.270 -15.621 -12.638 1.00 0.00 C ATOM 0 H VAL A 3 -4.361 -15.351 -9.910 1.00 0.00 H new ATOM 0 HA VAL A 3 -2.693 -14.498 -12.172 1.00 0.00 H new ATOM 0 HB VAL A 3 -5.594 -13.790 -11.599 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -5.661 -13.315 -14.014 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -4.447 -12.319 -13.177 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -3.934 -13.727 -14.138 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -6.213 -15.571 -13.182 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -4.509 -16.078 -13.271 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -5.402 -16.222 -11.738 1.00 0.00 H new ATOM 40 N ASN A 4 -4.107 -12.493 -9.931 1.00 0.00 N ATOM 41 CA ASN A 4 -3.975 -11.203 -9.262 1.00 0.00 C ATOM 42 C ASN A 4 -3.525 -11.384 -7.812 1.00 0.00 C ATOM 43 O ASN A 4 -4.046 -12.243 -7.100 1.00 0.00 O ATOM 44 CB ASN A 4 -5.303 -10.446 -9.305 1.00 0.00 C ATOM 45 CG ASN A 4 -5.112 -8.942 -9.318 1.00 0.00 C ATOM 46 OD1 ASN A 4 -4.804 -8.335 -8.293 1.00 0.00 O ATOM 47 ND2 ASN A 4 -5.296 -8.332 -10.484 1.00 0.00 N ATOM 0 H ASN A 4 -4.907 -13.047 -9.625 1.00 0.00 H new ATOM 0 HA ASN A 4 -3.217 -10.624 -9.789 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -5.860 -10.746 -10.192 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -5.905 -10.725 -8.441 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -5.182 -7.321 -10.554 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -5.551 -8.875 -11.309 1.00 0.00 H new ATOM 54 N PRO A 5 -2.551 -10.575 -7.352 1.00 0.00 N ATOM 55 CA PRO A 5 -2.041 -10.657 -5.978 1.00 0.00 C ATOM 56 C PRO A 5 -3.126 -10.384 -4.942 1.00 0.00 C ATOM 57 O PRO A 5 -3.132 -10.978 -3.866 1.00 0.00 O ATOM 58 CB PRO A 5 -0.963 -9.567 -5.920 1.00 0.00 C ATOM 59 CG PRO A 5 -0.611 -9.291 -7.341 1.00 0.00 C ATOM 60 CD PRO A 5 -1.866 -9.527 -8.128 1.00 0.00 C ATOM 0 HA PRO A 5 -1.665 -11.654 -5.747 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -1.336 -8.670 -5.425 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -0.093 -9.903 -5.357 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -0.259 -8.267 -7.465 1.00 0.00 H new ATOM 0 HG3 PRO A 5 0.191 -9.947 -7.679 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -2.470 -8.623 -8.206 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -1.649 -9.854 -9.145 1.00 0.00 H new ATOM 68 N ALA A 6 -4.044 -9.483 -5.278 1.00 0.00 N ATOM 69 CA ALA A 6 -5.137 -9.125 -4.380 1.00 0.00 C ATOM 70 C ALA A 6 -6.169 -10.247 -4.298 1.00 0.00 C ATOM 71 O ALA A 6 -6.972 -10.299 -3.366 1.00 0.00 O ATOM 72 CB ALA A 6 -5.795 -7.831 -4.838 1.00 0.00 C ATOM 0 H ALA A 6 -4.053 -8.986 -6.169 1.00 0.00 H new ATOM 0 HA ALA A 6 -4.722 -8.975 -3.383 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -6.609 -7.576 -4.159 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -5.058 -7.028 -4.838 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -6.191 -7.961 -5.845 1.00 0.00 H new ATOM 78 N GLU A 7 -6.136 -11.142 -5.279 1.00 0.00 N ATOM 79 CA GLU A 7 -7.072 -12.258 -5.329 1.00 0.00 C ATOM 80 C GLU A 7 -6.571 -13.431 -4.491 1.00 0.00 C ATOM 81 O GLU A 7 -7.261 -13.900 -3.586 1.00 0.00 O ATOM 82 CB GLU A 7 -7.288 -12.705 -6.776 1.00 0.00 C ATOM 83 CG GLU A 7 -8.540 -12.124 -7.413 1.00 0.00 C ATOM 84 CD GLU A 7 -9.078 -12.989 -8.535 1.00 0.00 C ATOM 85 OE1 GLU A 7 -8.606 -12.836 -9.681 1.00 0.00 O ATOM 86 OE2 GLU A 7 -9.972 -13.820 -8.269 1.00 0.00 O ATOM 0 H GLU A 7 -5.470 -11.116 -6.051 1.00 0.00 H new ATOM 0 HA GLU A 7 -8.022 -11.920 -4.914 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -6.421 -12.416 -7.370 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -7.347 -13.793 -6.806 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -9.309 -12.005 -6.650 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -8.318 -11.130 -7.800 1.00 0.00 H new ATOM 93 N ASN A 8 -5.366 -13.899 -4.800 1.00 0.00 N ATOM 94 CA ASN A 8 -4.769 -15.020 -4.080 1.00 0.00 C ATOM 95 C ASN A 8 -4.542 -14.673 -2.611 1.00 0.00 C ATOM 96 O ASN A 8 -4.596 -15.544 -1.745 1.00 0.00 O ATOM 97 CB ASN A 8 -3.446 -15.424 -4.730 1.00 0.00 C ATOM 98 CG ASN A 8 -3.084 -16.870 -4.456 1.00 0.00 C ATOM 99 OD1 ASN A 8 -3.674 -17.789 -5.025 1.00 0.00 O ATOM 100 ND2 ASN A 8 -2.110 -17.081 -3.577 1.00 0.00 N ATOM 0 H ASN A 8 -4.782 -13.519 -5.545 1.00 0.00 H new ATOM 0 HA ASN A 8 -5.464 -15.859 -4.130 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -3.511 -15.266 -5.807 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -2.650 -14.777 -4.360 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -1.825 -18.034 -3.351 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -1.648 -16.290 -3.129 1.00 0.00 H new ATOM 107 N PHE A 9 -4.287 -13.398 -2.339 1.00 0.00 N ATOM 108 CA PHE A 9 -4.051 -12.939 -0.974 1.00 0.00 C ATOM 109 C PHE A 9 -5.338 -12.970 -0.157 1.00 0.00 C ATOM 110 O PHE A 9 -5.388 -13.567 0.919 1.00 0.00 O ATOM 111 CB PHE A 9 -3.468 -11.522 -0.989 1.00 0.00 C ATOM 112 CG PHE A 9 -3.682 -10.756 0.288 1.00 0.00 C ATOM 113 CD1 PHE A 9 -2.936 -11.045 1.419 1.00 0.00 C ATOM 114 CD2 PHE A 9 -4.628 -9.746 0.355 1.00 0.00 C ATOM 115 CE1 PHE A 9 -3.131 -10.343 2.593 1.00 0.00 C ATOM 116 CE2 PHE A 9 -4.827 -9.040 1.526 1.00 0.00 C ATOM 117 CZ PHE A 9 -4.078 -9.338 2.646 1.00 0.00 C ATOM 0 H PHE A 9 -4.238 -12.664 -3.045 1.00 0.00 H new ATOM 0 HA PHE A 9 -3.335 -13.614 -0.505 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -2.398 -11.583 -1.189 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -3.915 -10.966 -1.813 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -2.193 -11.828 1.383 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -5.217 -9.508 -0.518 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -2.544 -10.579 3.468 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -5.568 -8.255 1.565 1.00 0.00 H new ATOM 0 HZ PHE A 9 -4.232 -8.787 3.562 1.00 0.00 H new ATOM 127 N ARG A 10 -6.376 -12.322 -0.677 1.00 0.00 N ATOM 128 CA ARG A 10 -7.666 -12.263 0.001 1.00 0.00 C ATOM 129 C ARG A 10 -8.186 -13.658 0.336 1.00 0.00 C ATOM 130 O ARG A 10 -8.742 -13.878 1.413 1.00 0.00 O ATOM 131 CB ARG A 10 -8.686 -11.525 -0.869 1.00 0.00 C ATOM 132 CG ARG A 10 -8.717 -10.024 -0.630 1.00 0.00 C ATOM 133 CD ARG A 10 -9.637 -9.321 -1.616 1.00 0.00 C ATOM 134 NE ARG A 10 -9.603 -7.870 -1.456 1.00 0.00 N ATOM 135 CZ ARG A 10 -10.682 -7.095 -1.525 1.00 0.00 C ATOM 136 NH1 ARG A 10 -11.875 -7.630 -1.750 1.00 0.00 N ATOM 137 NH2 ARG A 10 -10.567 -5.784 -1.369 1.00 0.00 N ATOM 0 H ARG A 10 -6.348 -11.829 -1.569 1.00 0.00 H new ATOM 0 HA ARG A 10 -7.525 -11.720 0.936 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -8.459 -11.713 -1.918 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -9.678 -11.935 -0.679 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -9.052 -9.824 0.388 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -7.709 -9.619 -0.720 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -9.344 -9.581 -2.633 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -10.658 -9.677 -1.477 1.00 0.00 H new ATOM 0 HE ARG A 10 -8.702 -7.426 -1.282 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -11.967 -8.639 -1.871 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -12.700 -7.033 -1.802 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -9.651 -5.369 -1.196 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -11.394 -5.190 -1.422 1.00 0.00 H new ATOM 151 N VAL A 11 -8.003 -14.599 -0.586 1.00 0.00 N ATOM 152 CA VAL A 11 -8.468 -15.966 -0.376 1.00 0.00 C ATOM 153 C VAL A 11 -7.540 -16.740 0.557 1.00 0.00 C ATOM 154 O VAL A 11 -7.999 -17.480 1.426 1.00 0.00 O ATOM 155 CB VAL A 11 -8.607 -16.730 -1.711 1.00 0.00 C ATOM 156 CG1 VAL A 11 -7.267 -16.823 -2.425 1.00 0.00 C ATOM 157 CG2 VAL A 11 -9.191 -18.115 -1.476 1.00 0.00 C ATOM 0 H VAL A 11 -7.539 -14.441 -1.480 1.00 0.00 H new ATOM 0 HA VAL A 11 -9.450 -15.890 0.090 1.00 0.00 H new ATOM 0 HB VAL A 11 -9.291 -16.174 -2.352 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -7.391 -17.365 -3.362 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -6.895 -15.820 -2.633 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -6.553 -17.351 -1.792 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -9.281 -18.638 -2.428 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -8.535 -18.679 -0.813 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -10.176 -18.022 -1.018 1.00 0.00 H new ATOM 167 N LEU A 12 -6.233 -16.570 0.371 1.00 0.00 N ATOM 168 CA LEU A 12 -5.245 -17.256 1.199 1.00 0.00 C ATOM 169 C LEU A 12 -5.463 -16.965 2.682 1.00 0.00 C ATOM 170 O LEU A 12 -5.329 -17.854 3.522 1.00 0.00 O ATOM 171 CB LEU A 12 -3.829 -16.842 0.794 1.00 0.00 C ATOM 172 CG LEU A 12 -2.705 -17.612 1.490 1.00 0.00 C ATOM 173 CD1 LEU A 12 -1.724 -18.165 0.468 1.00 0.00 C ATOM 174 CD2 LEU A 12 -1.988 -16.719 2.490 1.00 0.00 C ATOM 0 H LEU A 12 -5.834 -15.963 -0.345 1.00 0.00 H new ATOM 0 HA LEU A 12 -5.367 -18.327 1.039 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -3.724 -16.970 -0.283 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -3.704 -15.779 1.002 1.00 0.00 H new ATOM 0 HG LEU A 12 -3.145 -18.450 2.031 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -0.932 -18.709 0.982 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -2.247 -18.839 -0.210 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -1.289 -17.343 -0.101 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -1.192 -17.283 2.976 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -1.561 -15.861 1.971 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -2.697 -16.372 3.241 1.00 0.00 H new ATOM 186 N VAL A 13 -5.801 -15.718 2.996 1.00 0.00 N ATOM 187 CA VAL A 13 -6.032 -15.321 4.383 1.00 0.00 C ATOM 188 C VAL A 13 -7.448 -15.668 4.829 1.00 0.00 C ATOM 189 O VAL A 13 -7.791 -15.521 6.002 1.00 0.00 O ATOM 190 CB VAL A 13 -5.795 -13.813 4.590 1.00 0.00 C ATOM 191 CG1 VAL A 13 -4.318 -13.478 4.441 1.00 0.00 C ATOM 192 CG2 VAL A 13 -6.635 -12.997 3.617 1.00 0.00 C ATOM 0 H VAL A 13 -5.921 -14.969 2.315 1.00 0.00 H new ATOM 0 HA VAL A 13 -5.317 -15.877 4.989 1.00 0.00 H new ATOM 0 HB VAL A 13 -6.103 -13.554 5.603 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -4.171 -12.408 4.591 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -3.743 -14.031 5.184 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -3.981 -13.754 3.442 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -6.452 -11.935 3.781 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -6.364 -13.259 2.594 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -7.691 -13.213 3.779 1.00 0.00 H new ATOM 202 N LYS A 14 -8.266 -16.127 3.888 1.00 0.00 N ATOM 203 CA LYS A 14 -9.645 -16.496 4.187 1.00 0.00 C ATOM 204 C LYS A 14 -9.856 -18.000 4.036 1.00 0.00 C ATOM 205 O LYS A 14 -10.862 -18.443 3.480 1.00 0.00 O ATOM 206 CB LYS A 14 -10.606 -15.735 3.270 1.00 0.00 C ATOM 207 CG LYS A 14 -11.080 -14.411 3.847 1.00 0.00 C ATOM 208 CD LYS A 14 -12.190 -14.612 4.865 1.00 0.00 C ATOM 209 CE LYS A 14 -12.912 -13.309 5.166 1.00 0.00 C ATOM 210 NZ LYS A 14 -14.241 -13.542 5.796 1.00 0.00 N ATOM 0 H LYS A 14 -7.998 -16.252 2.912 1.00 0.00 H new ATOM 0 HA LYS A 14 -9.851 -16.226 5.223 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -10.114 -15.550 2.315 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -11.473 -16.363 3.065 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -10.242 -13.897 4.318 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -11.436 -13.769 3.042 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -12.903 -15.345 4.488 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -11.772 -15.018 5.786 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -12.298 -12.699 5.829 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -13.042 -12.745 4.243 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -14.700 -12.628 5.985 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -14.836 -14.103 5.153 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -14.116 -14.058 6.690 1.00 0.00 H new ATOM 224 N GLN A 15 -8.903 -18.781 4.535 1.00 0.00 N ATOM 225 CA GLN A 15 -8.990 -20.236 4.457 1.00 0.00 C ATOM 226 C GLN A 15 -9.248 -20.839 5.834 1.00 0.00 C ATOM 227 O GLN A 15 -10.129 -21.684 5.995 1.00 0.00 O ATOM 228 CB GLN A 15 -7.700 -20.815 3.870 1.00 0.00 C ATOM 229 CG GLN A 15 -7.438 -20.387 2.436 1.00 0.00 C ATOM 230 CD GLN A 15 -7.687 -21.503 1.439 1.00 0.00 C ATOM 231 OE1 GLN A 15 -6.777 -22.257 1.094 1.00 0.00 O ATOM 232 NE2 GLN A 15 -8.925 -21.614 0.972 1.00 0.00 N ATOM 0 H GLN A 15 -8.063 -18.432 4.997 1.00 0.00 H new ATOM 0 HA GLN A 15 -9.825 -20.490 3.804 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -6.858 -20.508 4.491 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -7.748 -21.903 3.913 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -8.076 -19.538 2.192 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -6.406 -20.047 2.345 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -9.648 -20.967 1.286 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -9.153 -22.346 0.300 1.00 0.00 H new ATOM 241 N LYS A 16 -8.478 -20.392 6.822 1.00 0.00 N ATOM 242 CA LYS A 16 -8.616 -20.881 8.191 1.00 0.00 C ATOM 243 C LYS A 16 -7.628 -20.180 9.118 1.00 0.00 C ATOM 244 O LYS A 16 -8.020 -19.582 10.120 1.00 0.00 O ATOM 245 CB LYS A 16 -8.398 -22.396 8.248 1.00 0.00 C ATOM 246 CG LYS A 16 -7.136 -22.860 7.539 1.00 0.00 C ATOM 247 CD LYS A 16 -6.948 -24.363 7.661 1.00 0.00 C ATOM 248 CE LYS A 16 -5.825 -24.858 6.765 1.00 0.00 C ATOM 249 NZ LYS A 16 -6.269 -25.969 5.879 1.00 0.00 N ATOM 0 H LYS A 16 -7.749 -19.689 6.699 1.00 0.00 H new ATOM 0 HA LYS A 16 -9.629 -20.658 8.526 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -8.354 -22.709 9.291 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -9.259 -22.895 7.802 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -7.187 -22.583 6.486 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -6.271 -22.349 7.962 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -6.729 -24.620 8.697 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -7.876 -24.870 7.396 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -5.457 -24.033 6.155 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -4.992 -25.196 7.381 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -5.474 -26.278 5.284 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -6.597 -26.767 6.460 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -7.047 -25.640 5.273 1.00 0.00 H new ATOM 263 N LYS A 17 -6.345 -20.258 8.774 1.00 0.00 N ATOM 264 CA LYS A 17 -5.295 -19.635 9.570 1.00 0.00 C ATOM 265 C LYS A 17 -3.944 -19.745 8.868 1.00 0.00 C ATOM 266 O LYS A 17 -3.091 -20.544 9.260 1.00 0.00 O ATOM 267 CB LYS A 17 -5.222 -20.284 10.956 1.00 0.00 C ATOM 268 CG LYS A 17 -5.578 -19.337 12.089 1.00 0.00 C ATOM 269 CD LYS A 17 -5.775 -20.084 13.399 1.00 0.00 C ATOM 270 CE LYS A 17 -7.017 -19.606 14.132 1.00 0.00 C ATOM 271 NZ LYS A 17 -7.189 -20.292 15.443 1.00 0.00 N ATOM 0 H LYS A 17 -6.008 -20.749 7.946 1.00 0.00 H new ATOM 0 HA LYS A 17 -5.538 -18.579 9.686 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -5.896 -21.140 10.983 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -4.214 -20.667 11.116 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -4.788 -18.596 12.207 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -6.489 -18.794 11.838 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -5.857 -21.153 13.201 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -4.900 -19.944 14.034 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -6.952 -18.530 14.292 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -7.895 -19.784 13.512 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -8.048 -19.937 15.910 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -7.277 -21.317 15.290 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -6.363 -20.102 16.045 1.00 0.00 H new ATOM 285 N ALA A 18 -3.757 -18.940 7.828 1.00 0.00 N ATOM 286 CA ALA A 18 -2.510 -18.945 7.072 1.00 0.00 C ATOM 287 C ALA A 18 -1.542 -17.893 7.604 1.00 0.00 C ATOM 288 O ALA A 18 -0.412 -17.780 7.128 1.00 0.00 O ATOM 289 CB ALA A 18 -2.787 -18.709 5.595 1.00 0.00 C ATOM 0 H ALA A 18 -4.453 -18.276 7.489 1.00 0.00 H new ATOM 0 HA ALA A 18 -2.045 -19.924 7.192 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -1.847 -18.715 5.043 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -3.436 -19.499 5.216 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -3.277 -17.744 5.466 1.00 0.00 H new ATOM 295 N SER A 19 -2.006 -17.121 8.586 1.00 0.00 N ATOM 296 CA SER A 19 -1.196 -16.071 9.201 1.00 0.00 C ATOM 297 C SER A 19 -1.025 -14.891 8.251 1.00 0.00 C ATOM 298 O SER A 19 -0.536 -15.046 7.131 1.00 0.00 O ATOM 299 CB SER A 19 0.174 -16.613 9.621 1.00 0.00 C ATOM 300 OG SER A 19 0.058 -17.905 10.192 1.00 0.00 O ATOM 0 H SER A 19 -2.945 -17.204 8.975 1.00 0.00 H new ATOM 0 HA SER A 19 -1.720 -15.726 10.092 1.00 0.00 H new ATOM 0 HB2 SER A 19 0.834 -16.653 8.754 1.00 0.00 H new ATOM 0 HB3 SER A 19 0.632 -15.934 10.340 1.00 0.00 H new ATOM 0 HG SER A 19 0.946 -18.229 10.450 1.00 0.00 H new ATOM 306 N PHE A 20 -1.433 -13.712 8.709 1.00 0.00 N ATOM 307 CA PHE A 20 -1.338 -12.499 7.905 1.00 0.00 C ATOM 308 C PHE A 20 0.111 -12.189 7.541 1.00 0.00 C ATOM 309 O PHE A 20 0.383 -11.619 6.486 1.00 0.00 O ATOM 310 CB PHE A 20 -1.947 -11.318 8.664 1.00 0.00 C ATOM 311 CG PHE A 20 -2.341 -10.171 7.777 1.00 0.00 C ATOM 312 CD1 PHE A 20 -3.506 -10.228 7.027 1.00 0.00 C ATOM 313 CD2 PHE A 20 -1.550 -9.038 7.694 1.00 0.00 C ATOM 314 CE1 PHE A 20 -3.873 -9.175 6.212 1.00 0.00 C ATOM 315 CE2 PHE A 20 -1.911 -7.981 6.880 1.00 0.00 C ATOM 316 CZ PHE A 20 -3.074 -8.050 6.137 1.00 0.00 C ATOM 0 H PHE A 20 -1.834 -13.571 9.636 1.00 0.00 H new ATOM 0 HA PHE A 20 -1.894 -12.662 6.982 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -2.825 -11.662 9.210 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -1.230 -10.964 9.404 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -4.133 -11.105 7.081 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -0.640 -8.979 8.272 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -4.784 -9.231 5.634 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -1.285 -7.103 6.825 1.00 0.00 H new ATOM 0 HZ PHE A 20 -3.358 -7.226 5.499 1.00 0.00 H new ATOM 326 N GLU A 21 1.034 -12.556 8.424 1.00 0.00 N ATOM 327 CA GLU A 21 2.458 -12.316 8.199 1.00 0.00 C ATOM 328 C GLU A 21 2.922 -12.864 6.850 1.00 0.00 C ATOM 329 O GLU A 21 3.482 -12.131 6.034 1.00 0.00 O ATOM 330 CB GLU A 21 3.281 -12.944 9.325 1.00 0.00 C ATOM 331 CG GLU A 21 4.547 -12.170 9.657 1.00 0.00 C ATOM 332 CD GLU A 21 5.307 -12.771 10.822 1.00 0.00 C ATOM 333 OE1 GLU A 21 5.022 -12.389 11.978 1.00 0.00 O ATOM 334 OE2 GLU A 21 6.187 -13.624 10.582 1.00 0.00 O ATOM 0 H GLU A 21 0.822 -13.023 9.306 1.00 0.00 H new ATOM 0 HA GLU A 21 2.611 -11.237 8.190 1.00 0.00 H new ATOM 0 HB2 GLU A 21 2.663 -13.015 10.220 1.00 0.00 H new ATOM 0 HB3 GLU A 21 3.551 -13.962 9.043 1.00 0.00 H new ATOM 0 HG2 GLU A 21 5.194 -12.145 8.780 1.00 0.00 H new ATOM 0 HG3 GLU A 21 4.287 -11.138 9.891 1.00 0.00 H new ATOM 341 N GLU A 22 2.696 -14.156 6.623 1.00 0.00 N ATOM 342 CA GLU A 22 3.105 -14.800 5.377 1.00 0.00 C ATOM 343 C GLU A 22 2.518 -14.092 4.159 1.00 0.00 C ATOM 344 O GLU A 22 3.239 -13.759 3.216 1.00 0.00 O ATOM 345 CB GLU A 22 2.677 -16.269 5.378 1.00 0.00 C ATOM 346 CG GLU A 22 3.765 -17.219 5.855 1.00 0.00 C ATOM 347 CD GLU A 22 3.371 -18.675 5.710 1.00 0.00 C ATOM 348 OE1 GLU A 22 2.461 -19.120 6.441 1.00 0.00 O ATOM 349 OE2 GLU A 22 3.972 -19.372 4.865 1.00 0.00 O ATOM 0 H GLU A 22 2.232 -14.777 7.285 1.00 0.00 H new ATOM 0 HA GLU A 22 4.191 -14.736 5.313 1.00 0.00 H new ATOM 0 HB2 GLU A 22 1.801 -16.383 6.016 1.00 0.00 H new ATOM 0 HB3 GLU A 22 2.376 -16.552 4.369 1.00 0.00 H new ATOM 0 HG2 GLU A 22 4.677 -17.035 5.288 1.00 0.00 H new ATOM 0 HG3 GLU A 22 3.992 -17.010 6.900 1.00 0.00 H new ATOM 356 N ALA A 23 1.209 -13.861 4.185 1.00 0.00 N ATOM 357 CA ALA A 23 0.527 -13.198 3.080 1.00 0.00 C ATOM 358 C ALA A 23 1.044 -11.776 2.891 1.00 0.00 C ATOM 359 O ALA A 23 1.159 -11.289 1.765 1.00 0.00 O ATOM 360 CB ALA A 23 -0.975 -13.189 3.318 1.00 0.00 C ATOM 0 H ALA A 23 0.600 -14.123 4.960 1.00 0.00 H new ATOM 0 HA ALA A 23 0.736 -13.756 2.167 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -1.472 -12.691 2.486 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -1.337 -14.214 3.396 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -1.194 -12.655 4.243 1.00 0.00 H new ATOM 366 N SER A 24 1.355 -11.118 4.002 1.00 0.00 N ATOM 367 CA SER A 24 1.861 -9.753 3.970 1.00 0.00 C ATOM 368 C SER A 24 3.201 -9.693 3.248 1.00 0.00 C ATOM 369 O SER A 24 3.381 -8.908 2.316 1.00 0.00 O ATOM 370 CB SER A 24 2.012 -9.209 5.392 1.00 0.00 C ATOM 371 OG SER A 24 2.753 -8.001 5.400 1.00 0.00 O ATOM 0 H SER A 24 1.265 -11.511 4.939 1.00 0.00 H new ATOM 0 HA SER A 24 1.144 -9.137 3.427 1.00 0.00 H new ATOM 0 HB2 SER A 24 1.027 -9.038 5.826 1.00 0.00 H new ATOM 0 HB3 SER A 24 2.511 -9.950 6.017 1.00 0.00 H new ATOM 0 HG SER A 24 2.455 -7.439 6.146 1.00 0.00 H new ATOM 377 N ASN A 25 4.137 -10.527 3.688 1.00 0.00 N ATOM 378 CA ASN A 25 5.463 -10.576 3.084 1.00 0.00 C ATOM 379 C ASN A 25 5.368 -10.845 1.586 1.00 0.00 C ATOM 380 O ASN A 25 6.058 -10.212 0.787 1.00 0.00 O ATOM 381 CB ASN A 25 6.311 -11.658 3.755 1.00 0.00 C ATOM 382 CG ASN A 25 7.239 -11.092 4.813 1.00 0.00 C ATOM 383 OD1 ASN A 25 8.353 -10.664 4.514 1.00 0.00 O ATOM 384 ND2 ASN A 25 6.781 -11.088 6.059 1.00 0.00 N ATOM 0 H ASN A 25 4.002 -11.178 4.461 1.00 0.00 H new ATOM 0 HA ASN A 25 5.939 -9.607 3.232 1.00 0.00 H new ATOM 0 HB2 ASN A 25 5.655 -12.400 4.210 1.00 0.00 H new ATOM 0 HB3 ASN A 25 6.900 -12.176 2.998 1.00 0.00 H new ATOM 0 HD21 ASN A 25 7.360 -10.720 6.814 1.00 0.00 H new ATOM 0 HD22 ASN A 25 5.850 -11.453 6.261 1.00 0.00 H new ATOM 391 N GLN A 26 4.510 -11.789 1.211 1.00 0.00 N ATOM 392 CA GLN A 26 4.325 -12.139 -0.193 1.00 0.00 C ATOM 393 C GLN A 26 3.823 -10.941 -0.996 1.00 0.00 C ATOM 394 O GLN A 26 4.365 -10.622 -2.055 1.00 0.00 O ATOM 395 CB GLN A 26 3.340 -13.303 -0.324 1.00 0.00 C ATOM 396 CG GLN A 26 3.846 -14.432 -1.206 1.00 0.00 C ATOM 397 CD GLN A 26 3.078 -15.722 -1.000 1.00 0.00 C ATOM 398 OE1 GLN A 26 1.896 -15.813 -1.329 1.00 0.00 O ATOM 399 NE2 GLN A 26 3.748 -16.728 -0.452 1.00 0.00 N ATOM 0 H GLN A 26 3.933 -12.325 1.859 1.00 0.00 H new ATOM 0 HA GLN A 26 5.292 -12.441 -0.595 1.00 0.00 H new ATOM 0 HB2 GLN A 26 3.123 -13.698 0.669 1.00 0.00 H new ATOM 0 HB3 GLN A 26 2.400 -12.929 -0.730 1.00 0.00 H new ATOM 0 HG2 GLN A 26 3.772 -14.132 -2.251 1.00 0.00 H new ATOM 0 HG3 GLN A 26 4.902 -14.605 -0.998 1.00 0.00 H new ATOM 0 HE21 GLN A 26 4.728 -16.608 -0.195 1.00 0.00 H new ATOM 0 HE22 GLN A 26 3.283 -17.621 -0.288 1.00 0.00 H new ATOM 408 N LEU A 27 2.785 -10.287 -0.487 1.00 0.00 N ATOM 409 CA LEU A 27 2.208 -9.125 -1.156 1.00 0.00 C ATOM 410 C LEU A 27 3.255 -8.034 -1.361 1.00 0.00 C ATOM 411 O LEU A 27 3.358 -7.458 -2.447 1.00 0.00 O ATOM 412 CB LEU A 27 1.033 -8.574 -0.342 1.00 0.00 C ATOM 413 CG LEU A 27 -0.240 -8.281 -1.143 1.00 0.00 C ATOM 414 CD1 LEU A 27 -0.003 -7.149 -2.130 1.00 0.00 C ATOM 415 CD2 LEU A 27 -0.720 -9.531 -1.866 1.00 0.00 C ATOM 0 H LEU A 27 2.325 -10.541 0.387 1.00 0.00 H new ATOM 0 HA LEU A 27 1.848 -9.444 -2.134 1.00 0.00 H new ATOM 0 HB2 LEU A 27 0.791 -9.289 0.445 1.00 0.00 H new ATOM 0 HB3 LEU A 27 1.352 -7.655 0.150 1.00 0.00 H new ATOM 0 HG LEU A 27 -1.018 -7.970 -0.446 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -0.919 -6.956 -2.689 1.00 0.00 H new ATOM 0 HD12 LEU A 27 0.288 -6.249 -1.588 1.00 0.00 H new ATOM 0 HD13 LEU A 27 0.792 -7.429 -2.821 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -1.625 -9.301 -2.429 1.00 0.00 H new ATOM 0 HD22 LEU A 27 0.055 -9.876 -2.550 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -0.935 -10.313 -1.138 1.00 0.00 H new ATOM 427 N ILE A 28 4.030 -7.754 -0.317 1.00 0.00 N ATOM 428 CA ILE A 28 5.065 -6.732 -0.390 1.00 0.00 C ATOM 429 C ILE A 28 6.171 -7.143 -1.360 1.00 0.00 C ATOM 430 O ILE A 28 6.775 -6.300 -2.024 1.00 0.00 O ATOM 431 CB ILE A 28 5.666 -6.438 1.006 1.00 0.00 C ATOM 432 CG1 ILE A 28 5.804 -4.930 1.215 1.00 0.00 C ATOM 433 CG2 ILE A 28 7.012 -7.129 1.189 1.00 0.00 C ATOM 434 CD1 ILE A 28 4.514 -4.260 1.635 1.00 0.00 C ATOM 0 H ILE A 28 3.960 -8.221 0.587 1.00 0.00 H new ATOM 0 HA ILE A 28 4.596 -5.820 -0.760 1.00 0.00 H new ATOM 0 HB ILE A 28 4.985 -6.838 1.757 1.00 0.00 H new ATOM 0 HG12 ILE A 28 6.565 -4.744 1.973 1.00 0.00 H new ATOM 0 HG13 ILE A 28 6.157 -4.474 0.290 1.00 0.00 H new ATOM 0 HG21 ILE A 28 7.406 -6.902 2.180 1.00 0.00 H new ATOM 0 HG22 ILE A 28 6.884 -8.207 1.088 1.00 0.00 H new ATOM 0 HG23 ILE A 28 7.710 -6.773 0.431 1.00 0.00 H new ATOM 0 HD11 ILE A 28 4.685 -3.191 1.765 1.00 0.00 H new ATOM 0 HD12 ILE A 28 3.756 -4.415 0.867 1.00 0.00 H new ATOM 0 HD13 ILE A 28 4.170 -4.690 2.576 1.00 0.00 H new ATOM 446 N ASN A 29 6.426 -8.446 -1.435 1.00 0.00 N ATOM 447 CA ASN A 29 7.450 -8.974 -2.327 1.00 0.00 C ATOM 448 C ASN A 29 7.037 -8.780 -3.780 1.00 0.00 C ATOM 449 O ASN A 29 7.834 -8.343 -4.612 1.00 0.00 O ATOM 450 CB ASN A 29 7.693 -10.458 -2.044 1.00 0.00 C ATOM 451 CG ASN A 29 8.891 -10.687 -1.144 1.00 0.00 C ATOM 452 OD1 ASN A 29 8.774 -11.291 -0.078 1.00 0.00 O ATOM 453 ND2 ASN A 29 10.052 -10.203 -1.569 1.00 0.00 N ATOM 0 H ASN A 29 5.937 -9.155 -0.888 1.00 0.00 H new ATOM 0 HA ASN A 29 8.377 -8.428 -2.149 1.00 0.00 H new ATOM 0 HB2 ASN A 29 6.805 -10.886 -1.578 1.00 0.00 H new ATOM 0 HB3 ASN A 29 7.844 -10.985 -2.986 1.00 0.00 H new ATOM 0 HD21 ASN A 29 10.893 -10.326 -1.005 1.00 0.00 H new ATOM 0 HD22 ASN A 29 10.103 -9.709 -2.460 1.00 0.00 H new ATOM 460 N HIS A 30 5.783 -9.106 -4.076 1.00 0.00 N ATOM 461 CA HIS A 30 5.254 -8.958 -5.425 1.00 0.00 C ATOM 462 C HIS A 30 5.295 -7.496 -5.848 1.00 0.00 C ATOM 463 O HIS A 30 5.690 -7.173 -6.968 1.00 0.00 O ATOM 464 CB HIS A 30 3.819 -9.484 -5.497 1.00 0.00 C ATOM 465 CG HIS A 30 3.722 -10.890 -6.001 1.00 0.00 C ATOM 466 ND1 HIS A 30 4.312 -11.961 -5.363 1.00 0.00 N ATOM 467 CD2 HIS A 30 3.096 -11.401 -7.089 1.00 0.00 C ATOM 468 CE1 HIS A 30 4.054 -13.069 -6.036 1.00 0.00 C ATOM 469 NE2 HIS A 30 3.319 -12.756 -7.087 1.00 0.00 N ATOM 0 H HIS A 30 5.115 -9.474 -3.399 1.00 0.00 H new ATOM 0 HA HIS A 30 5.874 -9.541 -6.106 1.00 0.00 H new ATOM 0 HB2 HIS A 30 3.371 -9.431 -4.505 1.00 0.00 H new ATOM 0 HB3 HIS A 30 3.234 -8.833 -6.146 1.00 0.00 H new ATOM 0 HD2 HIS A 30 2.528 -10.846 -7.821 1.00 0.00 H new ATOM 0 HE1 HIS A 30 4.388 -14.061 -5.771 1.00 0.00 H new ATOM 0 HE2 HIS A 30 2.973 -13.414 -7.785 1.00 0.00 H new ATOM 478 N ILE A 31 4.882 -6.615 -4.940 1.00 0.00 N ATOM 479 CA ILE A 31 4.881 -5.183 -5.214 1.00 0.00 C ATOM 480 C ILE A 31 6.286 -4.702 -5.558 1.00 0.00 C ATOM 481 O ILE A 31 6.490 -4.015 -6.560 1.00 0.00 O ATOM 482 CB ILE A 31 4.347 -4.375 -4.012 1.00 0.00 C ATOM 483 CG1 ILE A 31 2.871 -4.694 -3.770 1.00 0.00 C ATOM 484 CG2 ILE A 31 4.539 -2.883 -4.246 1.00 0.00 C ATOM 485 CD1 ILE A 31 2.358 -4.213 -2.429 1.00 0.00 C ATOM 0 H ILE A 31 4.545 -6.868 -4.011 1.00 0.00 H new ATOM 0 HA ILE A 31 4.219 -5.019 -6.064 1.00 0.00 H new ATOM 0 HB ILE A 31 4.912 -4.659 -3.124 1.00 0.00 H new ATOM 0 HG12 ILE A 31 2.275 -4.239 -4.562 1.00 0.00 H new ATOM 0 HG13 ILE A 31 2.725 -5.772 -3.840 1.00 0.00 H new ATOM 0 HG21 ILE A 31 4.157 -2.328 -3.389 1.00 0.00 H new ATOM 0 HG22 ILE A 31 5.600 -2.668 -4.374 1.00 0.00 H new ATOM 0 HG23 ILE A 31 3.998 -2.583 -5.143 1.00 0.00 H new ATOM 0 HD11 ILE A 31 1.305 -4.474 -2.327 1.00 0.00 H new ATOM 0 HD12 ILE A 31 2.928 -4.687 -1.630 1.00 0.00 H new ATOM 0 HD13 ILE A 31 2.472 -3.131 -2.363 1.00 0.00 H new ATOM 497 N GLU A 32 7.252 -5.070 -4.719 1.00 0.00 N ATOM 498 CA GLU A 32 8.642 -4.683 -4.935 1.00 0.00 C ATOM 499 C GLU A 32 9.115 -5.123 -6.316 1.00 0.00 C ATOM 500 O GLU A 32 9.793 -4.373 -7.019 1.00 0.00 O ATOM 501 CB GLU A 32 9.538 -5.297 -3.857 1.00 0.00 C ATOM 502 CG GLU A 32 9.459 -4.580 -2.519 1.00 0.00 C ATOM 503 CD GLU A 32 10.736 -4.709 -1.713 1.00 0.00 C ATOM 504 OE1 GLU A 32 11.743 -4.071 -2.089 1.00 0.00 O ATOM 505 OE2 GLU A 32 10.730 -5.447 -0.705 1.00 0.00 O ATOM 0 H GLU A 32 7.097 -5.635 -3.884 1.00 0.00 H new ATOM 0 HA GLU A 32 8.707 -3.597 -4.874 1.00 0.00 H new ATOM 0 HB2 GLU A 32 9.260 -6.342 -3.717 1.00 0.00 H new ATOM 0 HB3 GLU A 32 10.571 -5.286 -4.205 1.00 0.00 H new ATOM 0 HG2 GLU A 32 9.246 -3.525 -2.688 1.00 0.00 H new ATOM 0 HG3 GLU A 32 8.627 -4.985 -1.942 1.00 0.00 H new ATOM 512 N GLN A 33 8.754 -6.345 -6.697 1.00 0.00 N ATOM 513 CA GLN A 33 9.136 -6.884 -7.996 1.00 0.00 C ATOM 514 C GLN A 33 8.551 -6.037 -9.120 1.00 0.00 C ATOM 515 O GLN A 33 9.249 -5.681 -10.070 1.00 0.00 O ATOM 516 CB GLN A 33 8.663 -8.333 -8.130 1.00 0.00 C ATOM 517 CG GLN A 33 9.550 -9.330 -7.403 1.00 0.00 C ATOM 518 CD GLN A 33 8.882 -10.680 -7.222 1.00 0.00 C ATOM 519 OE1 GLN A 33 8.075 -10.868 -6.311 1.00 0.00 O ATOM 520 NE2 GLN A 33 9.215 -11.627 -8.091 1.00 0.00 N ATOM 0 H GLN A 33 8.198 -6.980 -6.124 1.00 0.00 H new ATOM 0 HA GLN A 33 10.223 -6.860 -8.071 1.00 0.00 H new ATOM 0 HB2 GLN A 33 7.647 -8.413 -7.743 1.00 0.00 H new ATOM 0 HB3 GLN A 33 8.623 -8.597 -9.187 1.00 0.00 H new ATOM 0 HG2 GLN A 33 10.478 -9.459 -7.960 1.00 0.00 H new ATOM 0 HG3 GLN A 33 9.818 -8.927 -6.426 1.00 0.00 H new ATOM 0 HE21 GLN A 33 9.888 -11.427 -8.830 1.00 0.00 H new ATOM 0 HE22 GLN A 33 8.797 -12.555 -8.019 1.00 0.00 H new ATOM 529 N PHE A 34 7.264 -5.722 -9.005 1.00 0.00 N ATOM 530 CA PHE A 34 6.582 -4.909 -10.006 1.00 0.00 C ATOM 531 C PHE A 34 7.297 -3.574 -10.190 1.00 0.00 C ATOM 532 O PHE A 34 7.387 -3.052 -11.301 1.00 0.00 O ATOM 533 CB PHE A 34 5.127 -4.670 -9.598 1.00 0.00 C ATOM 534 CG PHE A 34 4.199 -5.786 -9.994 1.00 0.00 C ATOM 535 CD1 PHE A 34 3.993 -6.093 -11.329 1.00 0.00 C ATOM 536 CD2 PHE A 34 3.533 -6.524 -9.029 1.00 0.00 C ATOM 537 CE1 PHE A 34 3.140 -7.117 -11.694 1.00 0.00 C ATOM 538 CE2 PHE A 34 2.679 -7.550 -9.389 1.00 0.00 C ATOM 539 CZ PHE A 34 2.483 -7.847 -10.724 1.00 0.00 C ATOM 0 H PHE A 34 6.673 -6.018 -8.228 1.00 0.00 H new ATOM 0 HA PHE A 34 6.599 -5.448 -10.953 1.00 0.00 H new ATOM 0 HB2 PHE A 34 5.079 -4.535 -8.517 1.00 0.00 H new ATOM 0 HB3 PHE A 34 4.779 -3.742 -10.051 1.00 0.00 H new ATOM 0 HD1 PHE A 34 4.505 -5.526 -12.093 1.00 0.00 H new ATOM 0 HD2 PHE A 34 3.683 -6.295 -7.984 1.00 0.00 H new ATOM 0 HE1 PHE A 34 2.987 -7.346 -12.738 1.00 0.00 H new ATOM 0 HE2 PHE A 34 2.166 -8.119 -8.628 1.00 0.00 H new ATOM 0 HZ PHE A 34 1.817 -8.649 -11.008 1.00 0.00 H new ATOM 549 N LEU A 35 7.798 -3.028 -9.087 1.00 0.00 N ATOM 550 CA LEU A 35 8.512 -1.756 -9.120 1.00 0.00 C ATOM 551 C LEU A 35 9.759 -1.858 -9.994 1.00 0.00 C ATOM 552 O LEU A 35 10.032 -0.976 -10.809 1.00 0.00 O ATOM 553 CB LEU A 35 8.899 -1.326 -7.703 1.00 0.00 C ATOM 554 CG LEU A 35 7.867 -0.449 -6.990 1.00 0.00 C ATOM 555 CD1 LEU A 35 8.126 -0.431 -5.492 1.00 0.00 C ATOM 556 CD2 LEU A 35 7.887 0.964 -7.554 1.00 0.00 C ATOM 0 H LEU A 35 7.723 -3.446 -8.160 1.00 0.00 H new ATOM 0 HA LEU A 35 7.849 -1.005 -9.549 1.00 0.00 H new ATOM 0 HB2 LEU A 35 9.072 -2.219 -7.103 1.00 0.00 H new ATOM 0 HB3 LEU A 35 9.844 -0.785 -7.749 1.00 0.00 H new ATOM 0 HG LEU A 35 6.878 -0.873 -7.162 1.00 0.00 H new ATOM 0 HD11 LEU A 35 7.383 0.198 -5.002 1.00 0.00 H new ATOM 0 HD12 LEU A 35 8.059 -1.446 -5.099 1.00 0.00 H new ATOM 0 HD13 LEU A 35 9.122 -0.032 -5.300 1.00 0.00 H new ATOM 0 HD21 LEU A 35 7.147 1.573 -7.035 1.00 0.00 H new ATOM 0 HD22 LEU A 35 8.877 1.398 -7.414 1.00 0.00 H new ATOM 0 HD23 LEU A 35 7.651 0.935 -8.618 1.00 0.00 H new ATOM 568 N ASP A 36 10.511 -2.940 -9.815 1.00 0.00 N ATOM 569 CA ASP A 36 11.730 -3.168 -10.588 1.00 0.00 C ATOM 570 C ASP A 36 11.424 -3.338 -12.076 1.00 0.00 C ATOM 571 O ASP A 36 12.333 -3.524 -12.885 1.00 0.00 O ATOM 572 CB ASP A 36 12.463 -4.404 -10.064 1.00 0.00 C ATOM 573 CG ASP A 36 13.935 -4.401 -10.429 1.00 0.00 C ATOM 574 OD1 ASP A 36 14.717 -3.718 -9.735 1.00 0.00 O ATOM 575 OD2 ASP A 36 14.305 -5.082 -11.409 1.00 0.00 O ATOM 0 H ASP A 36 10.298 -3.675 -9.140 1.00 0.00 H new ATOM 0 HA ASP A 36 12.367 -2.292 -10.471 1.00 0.00 H new ATOM 0 HB2 ASP A 36 12.360 -4.452 -8.980 1.00 0.00 H new ATOM 0 HB3 ASP A 36 11.993 -5.300 -10.468 1.00 0.00 H new ATOM 580 N THR A 37 10.145 -3.272 -12.431 1.00 0.00 N ATOM 581 CA THR A 37 9.724 -3.415 -13.815 1.00 0.00 C ATOM 582 C THR A 37 8.996 -2.164 -14.284 1.00 0.00 C ATOM 583 O THR A 37 7.960 -1.788 -13.735 1.00 0.00 O ATOM 584 CB THR A 37 8.804 -4.635 -14.008 1.00 0.00 C ATOM 585 OG1 THR A 37 8.331 -5.100 -12.738 1.00 0.00 O ATOM 586 CG2 THR A 37 9.538 -5.759 -14.723 1.00 0.00 C ATOM 0 H THR A 37 9.380 -3.119 -11.773 1.00 0.00 H new ATOM 0 HA THR A 37 10.626 -3.562 -14.410 1.00 0.00 H new ATOM 0 HB THR A 37 7.956 -4.328 -14.620 1.00 0.00 H new ATOM 0 HG1 THR A 37 7.679 -4.463 -12.378 1.00 0.00 H new ATOM 0 HG21 THR A 37 8.868 -6.610 -14.848 1.00 0.00 H new ATOM 0 HG22 THR A 37 9.870 -5.412 -15.701 1.00 0.00 H new ATOM 0 HG23 THR A 37 10.403 -6.062 -14.133 1.00 0.00 H new ATOM 594 N ASN A 38 9.551 -1.526 -15.302 1.00 0.00 N ATOM 595 CA ASN A 38 8.966 -0.310 -15.856 1.00 0.00 C ATOM 596 C ASN A 38 7.844 -0.648 -16.833 1.00 0.00 C ATOM 597 O ASN A 38 8.096 -1.110 -17.946 1.00 0.00 O ATOM 598 CB ASN A 38 10.039 0.523 -16.562 1.00 0.00 C ATOM 599 CG ASN A 38 11.062 -0.336 -17.279 1.00 0.00 C ATOM 600 OD1 ASN A 38 10.784 -0.896 -18.340 1.00 0.00 O ATOM 601 ND2 ASN A 38 12.253 -0.446 -16.702 1.00 0.00 N ATOM 0 H ASN A 38 10.408 -1.829 -15.764 1.00 0.00 H new ATOM 0 HA ASN A 38 8.549 0.272 -15.034 1.00 0.00 H new ATOM 0 HB2 ASN A 38 9.562 1.190 -17.280 1.00 0.00 H new ATOM 0 HB3 ASN A 38 10.546 1.152 -15.830 1.00 0.00 H new ATOM 0 HD21 ASN A 38 12.981 -1.012 -17.138 1.00 0.00 H new ATOM 0 HD22 ASN A 38 12.440 0.036 -15.822 1.00 0.00 H new ATOM 608 N GLU A 39 6.607 -0.404 -16.411 1.00 0.00 N ATOM 609 CA GLU A 39 5.440 -0.689 -17.240 1.00 0.00 C ATOM 610 C GLU A 39 4.216 0.055 -16.714 1.00 0.00 C ATOM 611 O GLU A 39 3.926 0.020 -15.518 1.00 0.00 O ATOM 612 CB GLU A 39 5.157 -2.193 -17.268 1.00 0.00 C ATOM 613 CG GLU A 39 5.830 -2.928 -18.417 1.00 0.00 C ATOM 614 CD GLU A 39 5.583 -2.269 -19.760 1.00 0.00 C ATOM 615 OE1 GLU A 39 4.489 -2.470 -20.328 1.00 0.00 O ATOM 616 OE2 GLU A 39 6.483 -1.551 -20.244 1.00 0.00 O ATOM 0 H GLU A 39 6.386 -0.008 -15.497 1.00 0.00 H new ATOM 0 HA GLU A 39 5.652 -0.349 -18.254 1.00 0.00 H new ATOM 0 HB2 GLU A 39 5.487 -2.632 -16.326 1.00 0.00 H new ATOM 0 HB3 GLU A 39 4.080 -2.349 -17.332 1.00 0.00 H new ATOM 0 HG2 GLU A 39 6.903 -2.976 -18.233 1.00 0.00 H new ATOM 0 HG3 GLU A 39 5.466 -3.955 -18.449 1.00 0.00 H new ATOM 623 N THR A 40 3.500 0.724 -17.611 1.00 0.00 N ATOM 624 CA THR A 40 2.310 1.477 -17.232 1.00 0.00 C ATOM 625 C THR A 40 1.207 0.561 -16.692 1.00 0.00 C ATOM 626 O THR A 40 0.653 0.823 -15.624 1.00 0.00 O ATOM 627 CB THR A 40 1.757 2.300 -18.412 1.00 0.00 C ATOM 628 OG1 THR A 40 2.836 2.789 -19.218 1.00 0.00 O ATOM 629 CG2 THR A 40 0.921 3.468 -17.912 1.00 0.00 C ATOM 0 H THR A 40 3.723 0.760 -18.606 1.00 0.00 H new ATOM 0 HA THR A 40 2.619 2.160 -16.440 1.00 0.00 H new ATOM 0 HB THR A 40 1.122 1.650 -19.013 1.00 0.00 H new ATOM 0 HG1 THR A 40 2.476 3.309 -19.966 1.00 0.00 H new ATOM 0 HG21 THR A 40 0.541 4.034 -18.763 1.00 0.00 H new ATOM 0 HG22 THR A 40 0.084 3.091 -17.324 1.00 0.00 H new ATOM 0 HG23 THR A 40 1.538 4.117 -17.290 1.00 0.00 H new ATOM 637 N PRO A 41 0.865 -0.528 -17.416 1.00 0.00 N ATOM 638 CA PRO A 41 -0.181 -1.462 -16.983 1.00 0.00 C ATOM 639 C PRO A 41 0.216 -2.241 -15.733 1.00 0.00 C ATOM 640 O PRO A 41 -0.620 -2.890 -15.104 1.00 0.00 O ATOM 641 CB PRO A 41 -0.343 -2.420 -18.173 1.00 0.00 C ATOM 642 CG PRO A 41 0.362 -1.764 -19.313 1.00 0.00 C ATOM 643 CD PRO A 41 1.454 -0.938 -18.701 1.00 0.00 C ATOM 0 HA PRO A 41 -1.098 -0.936 -16.718 1.00 0.00 H new ATOM 0 HB2 PRO A 41 0.090 -3.396 -17.953 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -1.396 -2.584 -18.404 1.00 0.00 H new ATOM 0 HG2 PRO A 41 0.771 -2.506 -19.998 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -0.322 -1.141 -19.889 1.00 0.00 H new ATOM 0 HD2 PRO A 41 2.369 -1.514 -18.562 1.00 0.00 H new ATOM 0 HD3 PRO A 41 1.709 -0.079 -19.322 1.00 0.00 H new ATOM 651 N TYR A 42 1.495 -2.172 -15.377 1.00 0.00 N ATOM 652 CA TYR A 42 2.001 -2.876 -14.204 1.00 0.00 C ATOM 653 C TYR A 42 1.820 -2.040 -12.940 1.00 0.00 C ATOM 654 O TYR A 42 1.438 -2.560 -11.892 1.00 0.00 O ATOM 655 CB TYR A 42 3.478 -3.230 -14.392 1.00 0.00 C ATOM 656 CG TYR A 42 3.706 -4.507 -15.173 1.00 0.00 C ATOM 657 CD1 TYR A 42 3.015 -4.758 -16.354 1.00 0.00 C ATOM 658 CD2 TYR A 42 4.612 -5.462 -14.730 1.00 0.00 C ATOM 659 CE1 TYR A 42 3.223 -5.922 -17.068 1.00 0.00 C ATOM 660 CE2 TYR A 42 4.824 -6.628 -15.440 1.00 0.00 C ATOM 661 CZ TYR A 42 4.128 -6.854 -16.607 1.00 0.00 C ATOM 662 OH TYR A 42 4.336 -8.014 -17.316 1.00 0.00 O ATOM 0 H TYR A 42 2.200 -1.636 -15.884 1.00 0.00 H new ATOM 0 HA TYR A 42 1.426 -3.795 -14.090 1.00 0.00 H new ATOM 0 HB2 TYR A 42 3.977 -2.408 -14.905 1.00 0.00 H new ATOM 0 HB3 TYR A 42 3.947 -3.326 -13.413 1.00 0.00 H new ATOM 0 HD1 TYR A 42 2.304 -4.031 -16.719 1.00 0.00 H new ATOM 0 HD2 TYR A 42 5.160 -5.290 -13.815 1.00 0.00 H new ATOM 0 HE1 TYR A 42 2.679 -6.101 -17.984 1.00 0.00 H new ATOM 0 HE2 TYR A 42 5.533 -7.360 -15.081 1.00 0.00 H new ATOM 0 HH TYR A 42 5.005 -8.563 -16.856 1.00 0.00 H new ATOM 672 N PHE A 43 2.098 -0.743 -13.045 1.00 0.00 N ATOM 673 CA PHE A 43 1.965 0.161 -11.907 1.00 0.00 C ATOM 674 C PHE A 43 0.524 0.200 -11.411 1.00 0.00 C ATOM 675 O PHE A 43 0.269 0.393 -10.221 1.00 0.00 O ATOM 676 CB PHE A 43 2.432 1.568 -12.285 1.00 0.00 C ATOM 677 CG PHE A 43 3.922 1.746 -12.198 1.00 0.00 C ATOM 678 CD1 PHE A 43 4.580 1.610 -10.985 1.00 0.00 C ATOM 679 CD2 PHE A 43 4.664 2.048 -13.329 1.00 0.00 C ATOM 680 CE1 PHE A 43 5.950 1.772 -10.903 1.00 0.00 C ATOM 681 CE2 PHE A 43 6.035 2.210 -13.252 1.00 0.00 C ATOM 682 CZ PHE A 43 6.678 2.072 -12.038 1.00 0.00 C ATOM 0 H PHE A 43 2.416 -0.296 -13.905 1.00 0.00 H new ATOM 0 HA PHE A 43 2.596 -0.213 -11.101 1.00 0.00 H new ATOM 0 HB2 PHE A 43 2.106 1.790 -13.301 1.00 0.00 H new ATOM 0 HB3 PHE A 43 1.948 2.292 -11.629 1.00 0.00 H new ATOM 0 HD1 PHE A 43 4.016 1.375 -10.095 1.00 0.00 H new ATOM 0 HD2 PHE A 43 4.166 2.158 -14.281 1.00 0.00 H new ATOM 0 HE1 PHE A 43 6.451 1.664 -9.952 1.00 0.00 H new ATOM 0 HE2 PHE A 43 6.602 2.444 -14.141 1.00 0.00 H new ATOM 0 HZ PHE A 43 7.749 2.198 -11.976 1.00 0.00 H new ATOM 692 N MET A 44 -0.418 0.014 -12.330 1.00 0.00 N ATOM 693 CA MET A 44 -1.833 0.015 -11.980 1.00 0.00 C ATOM 694 C MET A 44 -2.148 -1.167 -11.073 1.00 0.00 C ATOM 695 O MET A 44 -3.027 -1.093 -10.213 1.00 0.00 O ATOM 696 CB MET A 44 -2.697 -0.043 -13.242 1.00 0.00 C ATOM 697 CG MET A 44 -3.862 0.932 -13.226 1.00 0.00 C ATOM 698 SD MET A 44 -3.380 2.599 -13.715 1.00 0.00 S ATOM 699 CE MET A 44 -4.981 3.390 -13.848 1.00 0.00 C ATOM 0 H MET A 44 -0.227 -0.139 -13.320 1.00 0.00 H new ATOM 0 HA MET A 44 -2.059 0.939 -11.448 1.00 0.00 H new ATOM 0 HB2 MET A 44 -2.072 0.165 -14.110 1.00 0.00 H new ATOM 0 HB3 MET A 44 -3.083 -1.055 -13.362 1.00 0.00 H new ATOM 0 HG2 MET A 44 -4.641 0.572 -13.898 1.00 0.00 H new ATOM 0 HG3 MET A 44 -4.292 0.961 -12.225 1.00 0.00 H new ATOM 0 HE1 MET A 44 -4.849 4.431 -14.144 1.00 0.00 H new ATOM 0 HE2 MET A 44 -5.581 2.873 -14.597 1.00 0.00 H new ATOM 0 HE3 MET A 44 -5.489 3.349 -12.884 1.00 0.00 H new ATOM 709 N LYS A 45 -1.418 -2.261 -11.279 1.00 0.00 N ATOM 710 CA LYS A 45 -1.600 -3.467 -10.483 1.00 0.00 C ATOM 711 C LYS A 45 -1.077 -3.261 -9.066 1.00 0.00 C ATOM 712 O LYS A 45 -1.603 -3.835 -8.110 1.00 0.00 O ATOM 713 CB LYS A 45 -0.882 -4.649 -11.137 1.00 0.00 C ATOM 714 CG LYS A 45 -1.555 -5.987 -10.879 1.00 0.00 C ATOM 715 CD LYS A 45 -1.551 -6.862 -12.122 1.00 0.00 C ATOM 716 CE LYS A 45 -2.411 -8.101 -11.935 1.00 0.00 C ATOM 717 NZ LYS A 45 -1.949 -9.232 -12.784 1.00 0.00 N ATOM 0 H LYS A 45 -0.693 -2.334 -11.993 1.00 0.00 H new ATOM 0 HA LYS A 45 -2.667 -3.684 -10.432 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -0.827 -4.480 -12.213 1.00 0.00 H new ATOM 0 HB3 LYS A 45 0.143 -4.690 -10.768 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -1.042 -6.503 -10.068 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -2.582 -5.822 -10.552 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -1.918 -6.288 -12.973 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -0.529 -7.159 -12.355 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -2.391 -8.402 -10.888 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -3.447 -7.864 -12.179 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -2.274 -10.130 -12.373 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -2.340 -9.129 -13.742 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -0.910 -9.229 -12.831 1.00 0.00 H new ATOM 731 N SER A 46 -0.045 -2.430 -8.932 1.00 0.00 N ATOM 732 CA SER A 46 0.541 -2.150 -7.628 1.00 0.00 C ATOM 733 C SER A 46 -0.450 -1.375 -6.773 1.00 0.00 C ATOM 734 O SER A 46 -0.705 -1.731 -5.621 1.00 0.00 O ATOM 735 CB SER A 46 1.838 -1.354 -7.782 1.00 0.00 C ATOM 736 OG SER A 46 2.337 -1.444 -9.106 1.00 0.00 O ATOM 0 H SER A 46 0.400 -1.942 -9.709 1.00 0.00 H new ATOM 0 HA SER A 46 0.773 -3.096 -7.138 1.00 0.00 H new ATOM 0 HB2 SER A 46 1.660 -0.309 -7.527 1.00 0.00 H new ATOM 0 HB3 SER A 46 2.584 -1.730 -7.082 1.00 0.00 H new ATOM 0 HG SER A 46 3.239 -1.064 -9.142 1.00 0.00 H new ATOM 742 N ILE A 47 -0.998 -0.305 -7.341 1.00 0.00 N ATOM 743 CA ILE A 47 -1.982 0.504 -6.639 1.00 0.00 C ATOM 744 C ILE A 47 -3.166 -0.361 -6.233 1.00 0.00 C ATOM 745 O ILE A 47 -3.666 -0.265 -5.113 1.00 0.00 O ATOM 746 CB ILE A 47 -2.485 1.672 -7.508 1.00 0.00 C ATOM 747 CG1 ILE A 47 -1.305 2.419 -8.129 1.00 0.00 C ATOM 748 CG2 ILE A 47 -3.342 2.619 -6.679 1.00 0.00 C ATOM 749 CD1 ILE A 47 -1.696 3.317 -9.281 1.00 0.00 C ATOM 0 H ILE A 47 -0.777 0.019 -8.282 1.00 0.00 H new ATOM 0 HA ILE A 47 -1.497 0.919 -5.756 1.00 0.00 H new ATOM 0 HB ILE A 47 -3.099 1.268 -8.313 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -0.820 3.020 -7.359 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -0.570 1.694 -8.478 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -3.690 3.439 -7.307 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -4.200 2.078 -6.280 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -2.750 3.019 -5.855 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -0.808 3.815 -9.672 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -2.154 2.719 -10.069 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -2.408 4.065 -8.933 1.00 0.00 H new ATOM 761 N ASP A 48 -3.608 -1.208 -7.161 1.00 0.00 N ATOM 762 CA ASP A 48 -4.723 -2.110 -6.900 1.00 0.00 C ATOM 763 C ASP A 48 -4.392 -3.023 -5.725 1.00 0.00 C ATOM 764 O ASP A 48 -5.279 -3.466 -4.994 1.00 0.00 O ATOM 765 CB ASP A 48 -5.040 -2.945 -8.141 1.00 0.00 C ATOM 766 CG ASP A 48 -6.529 -3.152 -8.334 1.00 0.00 C ATOM 767 OD1 ASP A 48 -7.178 -2.272 -8.937 1.00 0.00 O ATOM 768 OD2 ASP A 48 -7.046 -4.196 -7.882 1.00 0.00 O ATOM 0 H ASP A 48 -3.211 -1.287 -8.097 1.00 0.00 H new ATOM 0 HA ASP A 48 -5.601 -1.514 -6.651 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -4.627 -2.453 -9.022 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -4.549 -3.915 -8.058 1.00 0.00 H new ATOM 773 N CYS A 49 -3.102 -3.293 -5.552 1.00 0.00 N ATOM 774 CA CYS A 49 -2.638 -4.142 -4.464 1.00 0.00 C ATOM 775 C CYS A 49 -2.637 -3.361 -3.157 1.00 0.00 C ATOM 776 O CYS A 49 -3.059 -3.869 -2.117 1.00 0.00 O ATOM 777 CB CYS A 49 -1.235 -4.677 -4.759 1.00 0.00 C ATOM 778 SG CYS A 49 -1.203 -6.046 -5.940 1.00 0.00 S ATOM 0 H CYS A 49 -2.360 -2.935 -6.153 1.00 0.00 H new ATOM 0 HA CYS A 49 -3.318 -4.989 -4.371 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -0.621 -3.863 -5.145 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -0.779 -5.006 -3.825 1.00 0.00 H new ATOM 0 HG CYS A 49 -1.374 -5.585 -7.143 1.00 0.00 H new ATOM 784 N ILE A 50 -2.150 -2.122 -3.213 1.00 0.00 N ATOM 785 CA ILE A 50 -2.108 -1.263 -2.039 1.00 0.00 C ATOM 786 C ILE A 50 -3.518 -0.976 -1.528 1.00 0.00 C ATOM 787 O ILE A 50 -3.730 -0.807 -0.329 1.00 0.00 O ATOM 788 CB ILE A 50 -1.377 0.070 -2.347 1.00 0.00 C ATOM 789 CG1 ILE A 50 -0.406 0.425 -1.218 1.00 0.00 C ATOM 790 CG2 ILE A 50 -2.367 1.205 -2.576 1.00 0.00 C ATOM 791 CD1 ILE A 50 0.670 1.404 -1.635 1.00 0.00 C ATOM 0 H ILE A 50 -1.780 -1.694 -4.061 1.00 0.00 H new ATOM 0 HA ILE A 50 -1.552 -1.791 -1.264 1.00 0.00 H new ATOM 0 HB ILE A 50 -0.808 -0.068 -3.266 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -0.968 0.848 -0.385 1.00 0.00 H new ATOM 0 HG13 ILE A 50 0.065 -0.488 -0.854 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -1.823 2.125 -2.789 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -3.012 0.961 -3.420 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -2.976 1.343 -1.682 1.00 0.00 H new ATOM 0 HD11 ILE A 50 1.322 1.611 -0.787 1.00 0.00 H new ATOM 0 HD12 ILE A 50 1.257 0.976 -2.448 1.00 0.00 H new ATOM 0 HD13 ILE A 50 0.207 2.332 -1.972 1.00 0.00 H new ATOM 803 N ARG A 51 -4.478 -0.923 -2.449 1.00 0.00 N ATOM 804 CA ARG A 51 -5.868 -0.658 -2.093 1.00 0.00 C ATOM 805 C ARG A 51 -6.491 -1.859 -1.389 1.00 0.00 C ATOM 806 O ARG A 51 -7.307 -1.705 -0.479 1.00 0.00 O ATOM 807 CB ARG A 51 -6.681 -0.313 -3.342 1.00 0.00 C ATOM 808 CG ARG A 51 -6.287 1.009 -3.979 1.00 0.00 C ATOM 809 CD ARG A 51 -7.506 1.790 -4.441 1.00 0.00 C ATOM 810 NE ARG A 51 -7.923 1.405 -5.787 1.00 0.00 N ATOM 811 CZ ARG A 51 -8.901 2.008 -6.457 1.00 0.00 C ATOM 812 NH1 ARG A 51 -9.559 3.021 -5.909 1.00 0.00 N ATOM 813 NH2 ARG A 51 -9.221 1.598 -7.677 1.00 0.00 N ATOM 0 H ARG A 51 -4.318 -1.060 -3.447 1.00 0.00 H new ATOM 0 HA ARG A 51 -5.882 0.191 -1.409 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -6.560 -1.110 -4.075 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -7.738 -0.279 -3.079 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -5.722 1.605 -3.263 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -5.629 0.823 -4.828 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -8.328 1.624 -3.745 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -7.282 2.857 -4.422 1.00 0.00 H new ATOM 0 HE ARG A 51 -7.437 0.630 -6.238 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -9.315 3.340 -4.971 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -10.309 3.481 -6.425 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -8.717 0.820 -8.102 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -9.971 2.061 -8.190 1.00 0.00 H new ATOM 827 N ALA A 52 -6.089 -3.054 -1.810 1.00 0.00 N ATOM 828 CA ALA A 52 -6.608 -4.282 -1.226 1.00 0.00 C ATOM 829 C ALA A 52 -5.963 -4.541 0.128 1.00 0.00 C ATOM 830 O ALA A 52 -6.607 -5.036 1.054 1.00 0.00 O ATOM 831 CB ALA A 52 -6.373 -5.456 -2.163 1.00 0.00 C ATOM 0 H ALA A 52 -5.405 -3.196 -2.554 1.00 0.00 H new ATOM 0 HA ALA A 52 -7.682 -4.169 -1.079 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -6.767 -6.366 -1.711 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -6.880 -5.272 -3.110 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -5.304 -5.572 -2.340 1.00 0.00 H new ATOM 837 N PHE A 53 -4.684 -4.199 0.235 1.00 0.00 N ATOM 838 CA PHE A 53 -3.943 -4.390 1.474 1.00 0.00 C ATOM 839 C PHE A 53 -4.326 -3.332 2.502 1.00 0.00 C ATOM 840 O PHE A 53 -4.647 -3.657 3.645 1.00 0.00 O ATOM 841 CB PHE A 53 -2.436 -4.336 1.209 1.00 0.00 C ATOM 842 CG PHE A 53 -1.628 -5.164 2.168 1.00 0.00 C ATOM 843 CD1 PHE A 53 -1.690 -4.929 3.532 1.00 0.00 C ATOM 844 CD2 PHE A 53 -0.803 -6.176 1.703 1.00 0.00 C ATOM 845 CE1 PHE A 53 -0.946 -5.689 4.415 1.00 0.00 C ATOM 846 CE2 PHE A 53 -0.057 -6.938 2.581 1.00 0.00 C ATOM 847 CZ PHE A 53 -0.129 -6.694 3.938 1.00 0.00 C ATOM 0 H PHE A 53 -4.139 -3.788 -0.523 1.00 0.00 H new ATOM 0 HA PHE A 53 -4.199 -5.372 1.873 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -2.241 -4.679 0.193 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -2.102 -3.300 1.266 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -2.327 -4.143 3.910 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -0.743 -6.371 0.642 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -1.004 -5.497 5.476 1.00 0.00 H new ATOM 0 HE2 PHE A 53 0.582 -7.724 2.206 1.00 0.00 H new ATOM 0 HZ PHE A 53 0.454 -7.289 4.626 1.00 0.00 H new ATOM 857 N ARG A 54 -4.278 -2.068 2.094 1.00 0.00 N ATOM 858 CA ARG A 54 -4.622 -0.960 2.985 1.00 0.00 C ATOM 859 C ARG A 54 -5.937 -1.218 3.710 1.00 0.00 C ATOM 860 O ARG A 54 -6.040 -1.014 4.917 1.00 0.00 O ATOM 861 CB ARG A 54 -4.723 0.353 2.204 1.00 0.00 C ATOM 862 CG ARG A 54 -3.384 1.024 1.954 1.00 0.00 C ATOM 863 CD ARG A 54 -3.537 2.269 1.096 1.00 0.00 C ATOM 864 NE ARG A 54 -4.145 3.373 1.835 1.00 0.00 N ATOM 865 CZ ARG A 54 -5.431 3.702 1.743 1.00 0.00 C ATOM 866 NH1 ARG A 54 -6.240 3.016 0.948 1.00 0.00 N ATOM 867 NH2 ARG A 54 -5.907 4.719 2.449 1.00 0.00 N ATOM 0 H ARG A 54 -4.005 -1.783 1.153 1.00 0.00 H new ATOM 0 HA ARG A 54 -3.825 -0.881 3.724 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -5.205 0.159 1.246 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -5.367 1.041 2.751 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -2.926 1.291 2.906 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -2.710 0.322 1.462 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -2.559 2.576 0.726 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -4.149 2.036 0.225 1.00 0.00 H new ATOM 0 HE ARG A 54 -3.551 3.922 2.456 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -5.877 2.233 0.404 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -7.225 3.271 0.880 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -5.287 5.249 3.062 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -6.893 4.972 2.379 1.00 0.00 H new ATOM 881 N GLU A 55 -6.940 -1.673 2.969 1.00 0.00 N ATOM 882 CA GLU A 55 -8.252 -1.943 3.545 1.00 0.00 C ATOM 883 C GLU A 55 -8.224 -3.160 4.466 1.00 0.00 C ATOM 884 O GLU A 55 -8.778 -3.130 5.565 1.00 0.00 O ATOM 885 CB GLU A 55 -9.282 -2.157 2.435 1.00 0.00 C ATOM 886 CG GLU A 55 -9.817 -0.863 1.844 1.00 0.00 C ATOM 887 CD GLU A 55 -10.743 -1.099 0.667 1.00 0.00 C ATOM 888 OE1 GLU A 55 -10.245 -1.162 -0.477 1.00 0.00 O ATOM 889 OE2 GLU A 55 -11.967 -1.221 0.888 1.00 0.00 O ATOM 0 H GLU A 55 -6.870 -1.863 1.969 1.00 0.00 H new ATOM 0 HA GLU A 55 -8.534 -1.076 4.142 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -8.829 -2.750 1.640 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -10.115 -2.738 2.831 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -10.351 -0.309 2.616 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -8.981 -0.241 1.525 1.00 0.00 H new ATOM 896 N GLU A 56 -7.569 -4.224 4.017 1.00 0.00 N ATOM 897 CA GLU A 56 -7.488 -5.460 4.790 1.00 0.00 C ATOM 898 C GLU A 56 -6.735 -5.268 6.105 1.00 0.00 C ATOM 899 O GLU A 56 -7.078 -5.885 7.116 1.00 0.00 O ATOM 900 CB GLU A 56 -6.810 -6.553 3.964 1.00 0.00 C ATOM 901 CG GLU A 56 -7.737 -7.222 2.964 1.00 0.00 C ATOM 902 CD GLU A 56 -8.172 -8.606 3.406 1.00 0.00 C ATOM 903 OE1 GLU A 56 -7.310 -9.508 3.467 1.00 0.00 O ATOM 904 OE2 GLU A 56 -9.375 -8.788 3.689 1.00 0.00 O ATOM 0 H GLU A 56 -7.085 -4.257 3.120 1.00 0.00 H new ATOM 0 HA GLU A 56 -8.508 -5.758 5.032 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -5.964 -6.121 3.430 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -6.409 -7.310 4.638 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -8.618 -6.598 2.818 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -7.234 -7.294 2.000 1.00 0.00 H new ATOM 911 N ALA A 57 -5.718 -4.412 6.098 1.00 0.00 N ATOM 912 CA ALA A 57 -4.916 -4.172 7.292 1.00 0.00 C ATOM 913 C ALA A 57 -5.527 -3.090 8.177 1.00 0.00 C ATOM 914 O ALA A 57 -5.748 -3.305 9.370 1.00 0.00 O ATOM 915 CB ALA A 57 -3.496 -3.793 6.902 1.00 0.00 C ATOM 0 H ALA A 57 -5.430 -3.874 5.280 1.00 0.00 H new ATOM 0 HA ALA A 57 -4.897 -5.097 7.869 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -2.907 -3.616 7.802 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -3.048 -4.604 6.328 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -3.515 -2.887 6.296 1.00 0.00 H new ATOM 921 N ILE A 58 -5.796 -1.928 7.587 1.00 0.00 N ATOM 922 CA ILE A 58 -6.370 -0.813 8.334 1.00 0.00 C ATOM 923 C ILE A 58 -7.643 -1.237 9.056 1.00 0.00 C ATOM 924 O ILE A 58 -7.827 -0.932 10.233 1.00 0.00 O ATOM 925 CB ILE A 58 -6.677 0.392 7.420 1.00 0.00 C ATOM 926 CG1 ILE A 58 -5.377 1.035 6.936 1.00 0.00 C ATOM 927 CG2 ILE A 58 -7.535 1.414 8.153 1.00 0.00 C ATOM 928 CD1 ILE A 58 -5.561 1.951 5.745 1.00 0.00 C ATOM 0 H ILE A 58 -5.627 -1.735 6.600 1.00 0.00 H new ATOM 0 HA ILE A 58 -5.623 -0.509 9.068 1.00 0.00 H new ATOM 0 HB ILE A 58 -7.233 0.036 6.553 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -4.935 1.602 7.755 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -4.669 0.249 6.674 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -7.741 2.256 7.493 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -8.475 0.951 8.455 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -7.004 1.767 9.037 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -4.597 2.371 5.457 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -5.974 1.384 4.910 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -6.244 2.758 6.009 1.00 0.00 H new ATOM 940 N LYS A 59 -8.522 -1.939 8.344 1.00 0.00 N ATOM 941 CA LYS A 59 -9.771 -2.405 8.930 1.00 0.00 C ATOM 942 C LYS A 59 -9.513 -3.107 10.259 1.00 0.00 C ATOM 943 O LYS A 59 -10.151 -2.793 11.265 1.00 0.00 O ATOM 944 CB LYS A 59 -10.499 -3.345 7.968 1.00 0.00 C ATOM 945 CG LYS A 59 -11.401 -2.625 6.980 1.00 0.00 C ATOM 946 CD LYS A 59 -12.390 -3.579 6.329 1.00 0.00 C ATOM 947 CE LYS A 59 -13.476 -2.828 5.576 1.00 0.00 C ATOM 948 NZ LYS A 59 -14.509 -2.275 6.494 1.00 0.00 N ATOM 0 H LYS A 59 -8.391 -2.195 7.365 1.00 0.00 H new ATOM 0 HA LYS A 59 -10.404 -1.537 9.114 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -9.762 -3.928 7.416 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -11.097 -4.051 8.545 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -11.944 -1.831 7.493 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -10.793 -2.149 6.211 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -11.861 -4.240 5.643 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -12.845 -4.210 7.093 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -13.026 -2.016 5.005 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -13.950 -3.498 4.858 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -15.231 -1.771 5.941 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -14.957 -3.052 7.021 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -14.062 -1.616 7.163 1.00 0.00 H new ATOM 962 N PHE A 60 -8.573 -4.054 10.264 1.00 0.00 N ATOM 963 CA PHE A 60 -8.234 -4.781 11.486 1.00 0.00 C ATOM 964 C PHE A 60 -7.063 -5.733 11.252 1.00 0.00 C ATOM 965 O PHE A 60 -7.231 -6.827 10.716 1.00 0.00 O ATOM 966 CB PHE A 60 -9.449 -5.549 12.032 1.00 0.00 C ATOM 967 CG PHE A 60 -10.058 -6.533 11.067 1.00 0.00 C ATOM 968 CD1 PHE A 60 -10.863 -6.099 10.028 1.00 0.00 C ATOM 969 CD2 PHE A 60 -9.830 -7.893 11.209 1.00 0.00 C ATOM 970 CE1 PHE A 60 -11.427 -7.000 9.144 1.00 0.00 C ATOM 971 CE2 PHE A 60 -10.392 -8.800 10.330 1.00 0.00 C ATOM 972 CZ PHE A 60 -11.191 -8.352 9.296 1.00 0.00 C ATOM 0 H PHE A 60 -8.037 -4.333 9.442 1.00 0.00 H new ATOM 0 HA PHE A 60 -7.934 -4.045 12.232 1.00 0.00 H new ATOM 0 HB2 PHE A 60 -9.149 -6.083 12.933 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -10.213 -4.830 12.327 1.00 0.00 H new ATOM 0 HD1 PHE A 60 -11.053 -5.043 9.906 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -9.206 -8.248 12.016 1.00 0.00 H new ATOM 0 HE1 PHE A 60 -12.051 -6.647 8.336 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -10.207 -9.857 10.451 1.00 0.00 H new ATOM 0 HZ PHE A 60 -11.631 -9.058 8.607 1.00 0.00 H new ATOM 982 N SER A 61 -5.871 -5.300 11.656 1.00 0.00 N ATOM 983 CA SER A 61 -4.669 -6.111 11.499 1.00 0.00 C ATOM 984 C SER A 61 -3.439 -5.381 12.022 1.00 0.00 C ATOM 985 O SER A 61 -3.125 -5.449 13.211 1.00 0.00 O ATOM 986 CB SER A 61 -4.465 -6.498 10.031 1.00 0.00 C ATOM 987 OG SER A 61 -4.748 -7.870 9.821 1.00 0.00 O ATOM 0 H SER A 61 -5.713 -4.393 12.094 1.00 0.00 H new ATOM 0 HA SER A 61 -4.804 -7.019 12.087 1.00 0.00 H new ATOM 0 HB2 SER A 61 -5.111 -5.889 9.398 1.00 0.00 H new ATOM 0 HB3 SER A 61 -3.438 -6.286 9.735 1.00 0.00 H new ATOM 0 HG SER A 61 -5.682 -8.051 10.056 1.00 0.00 H new ATOM 993 N GLU A 62 -2.746 -4.684 11.132 1.00 0.00 N ATOM 994 CA GLU A 62 -1.546 -3.949 11.508 1.00 0.00 C ATOM 995 C GLU A 62 -1.508 -2.588 10.827 1.00 0.00 C ATOM 996 O GLU A 62 -0.593 -2.291 10.059 1.00 0.00 O ATOM 997 CB GLU A 62 -0.296 -4.752 11.141 1.00 0.00 C ATOM 998 CG GLU A 62 0.023 -5.865 12.127 1.00 0.00 C ATOM 999 CD GLU A 62 1.288 -6.619 11.765 1.00 0.00 C ATOM 1000 OE1 GLU A 62 2.388 -6.076 11.994 1.00 0.00 O ATOM 1001 OE2 GLU A 62 1.176 -7.753 11.252 1.00 0.00 O ATOM 0 H GLU A 62 -2.994 -4.612 10.145 1.00 0.00 H new ATOM 0 HA GLU A 62 -1.566 -3.795 12.587 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -0.430 -5.184 10.149 1.00 0.00 H new ATOM 0 HB3 GLU A 62 0.556 -4.075 11.082 1.00 0.00 H new ATOM 0 HG2 GLU A 62 0.130 -5.441 13.126 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -0.813 -6.563 12.165 1.00 0.00 H new ATOM 1008 N GLU A 63 -2.518 -1.772 11.099 1.00 0.00 N ATOM 1009 CA GLU A 63 -2.603 -0.434 10.517 1.00 0.00 C ATOM 1010 C GLU A 63 -1.328 0.373 10.769 1.00 0.00 C ATOM 1011 O GLU A 63 -0.893 1.133 9.906 1.00 0.00 O ATOM 1012 CB GLU A 63 -3.811 0.314 11.084 1.00 0.00 C ATOM 1013 CG GLU A 63 -3.877 0.306 12.603 1.00 0.00 C ATOM 1014 CD GLU A 63 -4.684 -0.859 13.144 1.00 0.00 C ATOM 1015 OE1 GLU A 63 -5.818 -1.069 12.665 1.00 0.00 O ATOM 1016 OE2 GLU A 63 -4.181 -1.559 14.048 1.00 0.00 O ATOM 0 H GLU A 63 -3.292 -2.011 11.719 1.00 0.00 H new ATOM 0 HA GLU A 63 -2.721 -0.551 9.440 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -3.784 1.347 10.736 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -4.723 -0.133 10.687 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -2.866 0.262 13.007 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -4.318 1.241 12.949 1.00 0.00 H new ATOM 1023 N GLN A 64 -0.737 0.205 11.952 1.00 0.00 N ATOM 1024 CA GLN A 64 0.488 0.923 12.321 1.00 0.00 C ATOM 1025 C GLN A 64 1.686 0.445 11.507 1.00 0.00 C ATOM 1026 O GLN A 64 2.757 1.054 11.550 1.00 0.00 O ATOM 1027 CB GLN A 64 0.775 0.740 13.807 1.00 0.00 C ATOM 1028 CG GLN A 64 1.683 1.810 14.392 1.00 0.00 C ATOM 1029 CD GLN A 64 1.561 1.921 15.898 1.00 0.00 C ATOM 1030 OE1 GLN A 64 0.503 2.272 16.423 1.00 0.00 O ATOM 1031 NE2 GLN A 64 2.644 1.620 16.605 1.00 0.00 N ATOM 0 H GLN A 64 -1.087 -0.424 12.675 1.00 0.00 H new ATOM 0 HA GLN A 64 0.329 1.979 12.104 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -0.169 0.739 14.353 1.00 0.00 H new ATOM 0 HB3 GLN A 64 1.233 -0.237 13.962 1.00 0.00 H new ATOM 0 HG2 GLN A 64 2.717 1.586 14.131 1.00 0.00 H new ATOM 0 HG3 GLN A 64 1.442 2.772 13.940 1.00 0.00 H new ATOM 0 HE21 GLN A 64 3.500 1.334 16.130 1.00 0.00 H new ATOM 0 HE22 GLN A 64 2.620 1.675 17.623 1.00 0.00 H new ATOM 1040 N ARG A 65 1.509 -0.642 10.776 1.00 0.00 N ATOM 1041 CA ARG A 65 2.575 -1.169 9.934 1.00 0.00 C ATOM 1042 C ARG A 65 2.627 -0.419 8.600 1.00 0.00 C ATOM 1043 O ARG A 65 3.647 0.174 8.253 1.00 0.00 O ATOM 1044 CB ARG A 65 2.374 -2.665 9.685 1.00 0.00 C ATOM 1045 CG ARG A 65 3.551 -3.331 8.994 1.00 0.00 C ATOM 1046 CD ARG A 65 3.235 -4.770 8.618 1.00 0.00 C ATOM 1047 NE ARG A 65 4.393 -5.645 8.785 1.00 0.00 N ATOM 1048 CZ ARG A 65 4.317 -6.973 8.809 1.00 0.00 C ATOM 1049 NH1 ARG A 65 3.143 -7.575 8.680 1.00 0.00 N ATOM 1050 NH2 ARG A 65 5.416 -7.697 8.964 1.00 0.00 N ATOM 0 H ARG A 65 0.641 -1.177 10.747 1.00 0.00 H new ATOM 0 HA ARG A 65 3.522 -1.025 10.455 1.00 0.00 H new ATOM 0 HB2 ARG A 65 2.194 -3.162 10.638 1.00 0.00 H new ATOM 0 HB3 ARG A 65 1.480 -2.807 9.078 1.00 0.00 H new ATOM 0 HG2 ARG A 65 3.814 -2.769 8.098 1.00 0.00 H new ATOM 0 HG3 ARG A 65 4.420 -3.308 9.651 1.00 0.00 H new ATOM 0 HD2 ARG A 65 2.413 -5.134 9.235 1.00 0.00 H new ATOM 0 HD3 ARG A 65 2.898 -4.809 7.582 1.00 0.00 H new ATOM 0 HE ARG A 65 5.311 -5.213 8.889 1.00 0.00 H new ATOM 0 HH11 ARG A 65 2.295 -7.020 8.562 1.00 0.00 H new ATOM 0 HH12 ARG A 65 3.087 -8.593 8.699 1.00 0.00 H new ATOM 0 HH21 ARG A 65 6.320 -7.236 9.065 1.00 0.00 H new ATOM 0 HH22 ARG A 65 5.358 -8.715 8.982 1.00 0.00 H new ATOM 1064 N PHE A 66 1.518 -0.457 7.861 1.00 0.00 N ATOM 1065 CA PHE A 66 1.432 0.221 6.565 1.00 0.00 C ATOM 1066 C PHE A 66 1.941 1.660 6.645 1.00 0.00 C ATOM 1067 O PHE A 66 2.726 2.089 5.801 1.00 0.00 O ATOM 1068 CB PHE A 66 0.003 0.193 6.026 1.00 0.00 C ATOM 1069 CG PHE A 66 -0.065 -0.249 4.593 1.00 0.00 C ATOM 1070 CD1 PHE A 66 0.020 -1.593 4.266 1.00 0.00 C ATOM 1071 CD2 PHE A 66 -0.194 0.678 3.572 1.00 0.00 C ATOM 1072 CE1 PHE A 66 -0.026 -2.003 2.947 1.00 0.00 C ATOM 1073 CE2 PHE A 66 -0.237 0.273 2.252 1.00 0.00 C ATOM 1074 CZ PHE A 66 -0.153 -1.069 1.939 1.00 0.00 C ATOM 0 H PHE A 66 0.668 -0.949 8.136 1.00 0.00 H new ATOM 0 HA PHE A 66 2.075 -0.324 5.874 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -0.599 -0.478 6.638 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -0.435 1.187 6.117 1.00 0.00 H new ATOM 0 HD1 PHE A 66 0.123 -2.328 5.050 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -0.262 1.729 3.811 1.00 0.00 H new ATOM 0 HE1 PHE A 66 0.037 -3.054 2.705 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -0.336 1.006 1.465 1.00 0.00 H new ATOM 0 HZ PHE A 66 -0.187 -1.387 0.907 1.00 0.00 H new ATOM 1084 N ASN A 67 1.486 2.406 7.649 1.00 0.00 N ATOM 1085 CA ASN A 67 1.933 3.787 7.829 1.00 0.00 C ATOM 1086 C ASN A 67 3.436 3.799 8.079 1.00 0.00 C ATOM 1087 O ASN A 67 4.189 4.492 7.397 1.00 0.00 O ATOM 1088 CB ASN A 67 1.199 4.467 8.998 1.00 0.00 C ATOM 1089 CG ASN A 67 0.787 3.505 10.077 1.00 0.00 C ATOM 1090 OD1 ASN A 67 1.157 2.343 10.043 1.00 0.00 O ATOM 1091 ND2 ASN A 67 0.032 3.996 11.052 1.00 0.00 N ATOM 0 H ASN A 67 0.814 2.082 8.345 1.00 0.00 H new ATOM 0 HA ASN A 67 1.702 4.347 6.923 1.00 0.00 H new ATOM 0 HB2 ASN A 67 1.845 5.232 9.429 1.00 0.00 H new ATOM 0 HB3 ASN A 67 0.314 4.976 8.616 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -0.265 3.393 11.819 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -0.251 4.976 11.034 1.00 0.00 H new ATOM 1098 N ASN A 68 3.847 3.040 9.091 1.00 0.00 N ATOM 1099 CA ASN A 68 5.262 2.915 9.435 1.00 0.00 C ATOM 1100 C ASN A 68 6.111 2.789 8.168 1.00 0.00 C ATOM 1101 O ASN A 68 7.081 3.527 7.978 1.00 0.00 O ATOM 1102 CB ASN A 68 5.489 1.702 10.339 1.00 0.00 C ATOM 1103 CG ASN A 68 6.936 1.563 10.768 1.00 0.00 C ATOM 1104 OD1 ASN A 68 7.340 2.079 11.809 1.00 0.00 O ATOM 1105 ND2 ASN A 68 7.726 0.861 9.963 1.00 0.00 N ATOM 0 H ASN A 68 3.220 2.501 9.689 1.00 0.00 H new ATOM 0 HA ASN A 68 5.564 3.814 9.973 1.00 0.00 H new ATOM 0 HB2 ASN A 68 4.858 1.788 11.223 1.00 0.00 H new ATOM 0 HB3 ASN A 68 5.180 0.798 9.814 1.00 0.00 H new ATOM 0 HD21 ASN A 68 8.710 0.733 10.199 1.00 0.00 H new ATOM 0 HD22 ASN A 68 7.349 0.450 9.109 1.00 0.00 H new ATOM 1112 N PHE A 69 5.735 1.852 7.301 1.00 0.00 N ATOM 1113 CA PHE A 69 6.447 1.637 6.046 1.00 0.00 C ATOM 1114 C PHE A 69 6.178 2.779 5.069 1.00 0.00 C ATOM 1115 O PHE A 69 7.028 3.118 4.247 1.00 0.00 O ATOM 1116 CB PHE A 69 6.030 0.304 5.421 1.00 0.00 C ATOM 1117 CG PHE A 69 7.065 -0.278 4.500 1.00 0.00 C ATOM 1118 CD1 PHE A 69 8.048 -1.124 4.989 1.00 0.00 C ATOM 1119 CD2 PHE A 69 7.057 0.022 3.148 1.00 0.00 C ATOM 1120 CE1 PHE A 69 9.001 -1.661 4.145 1.00 0.00 C ATOM 1121 CE2 PHE A 69 8.008 -0.512 2.299 1.00 0.00 C ATOM 1122 CZ PHE A 69 8.981 -1.355 2.799 1.00 0.00 C ATOM 0 H PHE A 69 4.940 1.229 7.446 1.00 0.00 H new ATOM 0 HA PHE A 69 7.515 1.609 6.261 1.00 0.00 H new ATOM 0 HB2 PHE A 69 5.820 -0.411 6.217 1.00 0.00 H new ATOM 0 HB3 PHE A 69 5.102 0.446 4.867 1.00 0.00 H new ATOM 0 HD1 PHE A 69 8.069 -1.366 6.041 1.00 0.00 H new ATOM 0 HD2 PHE A 69 6.299 0.681 2.752 1.00 0.00 H new ATOM 0 HE1 PHE A 69 9.761 -2.320 4.538 1.00 0.00 H new ATOM 0 HE2 PHE A 69 7.990 -0.270 1.247 1.00 0.00 H new ATOM 0 HZ PHE A 69 9.725 -1.774 2.138 1.00 0.00 H new ATOM 1132 N LEU A 70 4.981 3.355 5.159 1.00 0.00 N ATOM 1133 CA LEU A 70 4.598 4.467 4.293 1.00 0.00 C ATOM 1134 C LEU A 70 5.561 5.634 4.480 1.00 0.00 C ATOM 1135 O LEU A 70 5.960 6.289 3.514 1.00 0.00 O ATOM 1136 CB LEU A 70 3.160 4.918 4.582 1.00 0.00 C ATOM 1137 CG LEU A 70 2.181 4.776 3.410 1.00 0.00 C ATOM 1138 CD1 LEU A 70 0.788 5.245 3.811 1.00 0.00 C ATOM 1139 CD2 LEU A 70 2.675 5.558 2.202 1.00 0.00 C ATOM 0 H LEU A 70 4.260 3.070 5.822 1.00 0.00 H new ATOM 0 HA LEU A 70 4.647 4.126 3.259 1.00 0.00 H new ATOM 0 HB2 LEU A 70 2.778 4.342 5.425 1.00 0.00 H new ATOM 0 HB3 LEU A 70 3.180 5.962 4.893 1.00 0.00 H new ATOM 0 HG LEU A 70 2.125 3.721 3.141 1.00 0.00 H new ATOM 0 HD11 LEU A 70 0.110 5.136 2.965 1.00 0.00 H new ATOM 0 HD12 LEU A 70 0.428 4.643 4.645 1.00 0.00 H new ATOM 0 HD13 LEU A 70 0.829 6.292 4.110 1.00 0.00 H new ATOM 0 HD21 LEU A 70 1.967 5.445 1.381 1.00 0.00 H new ATOM 0 HD22 LEU A 70 2.763 6.613 2.463 1.00 0.00 H new ATOM 0 HD23 LEU A 70 3.649 5.177 1.896 1.00 0.00 H new ATOM 1151 N LYS A 71 5.934 5.886 5.734 1.00 0.00 N ATOM 1152 CA LYS A 71 6.866 6.960 6.051 1.00 0.00 C ATOM 1153 C LYS A 71 8.212 6.674 5.399 1.00 0.00 C ATOM 1154 O LYS A 71 8.931 7.588 4.989 1.00 0.00 O ATOM 1155 CB LYS A 71 7.034 7.096 7.565 1.00 0.00 C ATOM 1156 CG LYS A 71 5.950 7.934 8.225 1.00 0.00 C ATOM 1157 CD LYS A 71 6.201 8.094 9.716 1.00 0.00 C ATOM 1158 CE LYS A 71 4.969 8.619 10.435 1.00 0.00 C ATOM 1159 NZ LYS A 71 5.129 8.575 11.914 1.00 0.00 N ATOM 0 H LYS A 71 5.604 5.361 6.544 1.00 0.00 H new ATOM 0 HA LYS A 71 6.469 7.899 5.665 1.00 0.00 H new ATOM 0 HB2 LYS A 71 7.036 6.102 8.013 1.00 0.00 H new ATOM 0 HB3 LYS A 71 8.006 7.543 7.776 1.00 0.00 H new ATOM 0 HG2 LYS A 71 5.910 8.916 7.754 1.00 0.00 H new ATOM 0 HG3 LYS A 71 4.979 7.465 8.067 1.00 0.00 H new ATOM 0 HD2 LYS A 71 6.491 7.134 10.142 1.00 0.00 H new ATOM 0 HD3 LYS A 71 7.035 8.778 9.874 1.00 0.00 H new ATOM 0 HE2 LYS A 71 4.775 9.645 10.121 1.00 0.00 H new ATOM 0 HE3 LYS A 71 4.100 8.027 10.146 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 4.268 8.941 12.367 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 5.289 7.593 12.217 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 5.942 9.160 12.193 1.00 0.00 H new ATOM 1173 N ALA A 72 8.537 5.389 5.309 1.00 0.00 N ATOM 1174 CA ALA A 72 9.782 4.958 4.690 1.00 0.00 C ATOM 1175 C ALA A 72 9.668 5.090 3.178 1.00 0.00 C ATOM 1176 O ALA A 72 10.606 5.521 2.503 1.00 0.00 O ATOM 1177 CB ALA A 72 10.104 3.523 5.080 1.00 0.00 C ATOM 0 H ALA A 72 7.954 4.628 5.658 1.00 0.00 H new ATOM 0 HA ALA A 72 10.595 5.592 5.043 1.00 0.00 H new ATOM 0 HB1 ALA A 72 11.038 3.218 4.608 1.00 0.00 H new ATOM 0 HB2 ALA A 72 10.206 3.454 6.163 1.00 0.00 H new ATOM 0 HB3 ALA A 72 9.299 2.867 4.749 1.00 0.00 H new ATOM 1183 N LEU A 73 8.503 4.713 2.658 1.00 0.00 N ATOM 1184 CA LEU A 73 8.236 4.801 1.231 1.00 0.00 C ATOM 1185 C LEU A 73 8.418 6.236 0.761 1.00 0.00 C ATOM 1186 O LEU A 73 8.955 6.486 -0.314 1.00 0.00 O ATOM 1187 CB LEU A 73 6.816 4.320 0.922 1.00 0.00 C ATOM 1188 CG LEU A 73 6.399 4.422 -0.547 1.00 0.00 C ATOM 1189 CD1 LEU A 73 7.097 3.354 -1.375 1.00 0.00 C ATOM 1190 CD2 LEU A 73 4.889 4.300 -0.681 1.00 0.00 C ATOM 0 H LEU A 73 7.728 4.343 3.208 1.00 0.00 H new ATOM 0 HA LEU A 73 8.940 4.160 0.701 1.00 0.00 H new ATOM 0 HB2 LEU A 73 6.725 3.281 1.238 1.00 0.00 H new ATOM 0 HB3 LEU A 73 6.115 4.899 1.523 1.00 0.00 H new ATOM 0 HG LEU A 73 6.700 5.399 -0.924 1.00 0.00 H new ATOM 0 HD11 LEU A 73 6.788 3.442 -2.417 1.00 0.00 H new ATOM 0 HD12 LEU A 73 8.177 3.486 -1.304 1.00 0.00 H new ATOM 0 HD13 LEU A 73 6.827 2.367 -0.999 1.00 0.00 H new ATOM 0 HD21 LEU A 73 4.610 4.375 -1.732 1.00 0.00 H new ATOM 0 HD22 LEU A 73 4.565 3.337 -0.287 1.00 0.00 H new ATOM 0 HD23 LEU A 73 4.408 5.101 -0.120 1.00 0.00 H new ATOM 1202 N GLN A 74 7.946 7.173 1.577 1.00 0.00 N ATOM 1203 CA GLN A 74 8.072 8.592 1.269 1.00 0.00 C ATOM 1204 C GLN A 74 9.544 8.977 1.155 1.00 0.00 C ATOM 1205 O GLN A 74 9.961 9.629 0.194 1.00 0.00 O ATOM 1206 CB GLN A 74 7.392 9.435 2.349 1.00 0.00 C ATOM 1207 CG GLN A 74 7.064 10.849 1.901 1.00 0.00 C ATOM 1208 CD GLN A 74 8.029 11.876 2.461 1.00 0.00 C ATOM 1209 OE1 GLN A 74 8.255 11.937 3.670 1.00 0.00 O ATOM 1210 NE2 GLN A 74 8.602 12.690 1.583 1.00 0.00 N ATOM 0 H GLN A 74 7.472 6.974 2.458 1.00 0.00 H new ATOM 0 HA GLN A 74 7.581 8.785 0.315 1.00 0.00 H new ATOM 0 HB2 GLN A 74 6.473 8.939 2.660 1.00 0.00 H new ATOM 0 HB3 GLN A 74 8.041 9.481 3.224 1.00 0.00 H new ATOM 0 HG2 GLN A 74 7.082 10.895 0.812 1.00 0.00 H new ATOM 0 HG3 GLN A 74 6.050 11.100 2.214 1.00 0.00 H new ATOM 0 HE21 GLN A 74 8.385 12.603 0.590 1.00 0.00 H new ATOM 0 HE22 GLN A 74 9.259 13.402 1.901 1.00 0.00 H new ATOM 1219 N GLU A 75 10.327 8.570 2.148 1.00 0.00 N ATOM 1220 CA GLU A 75 11.756 8.863 2.161 1.00 0.00 C ATOM 1221 C GLU A 75 12.464 8.180 0.994 1.00 0.00 C ATOM 1222 O GLU A 75 13.521 8.632 0.545 1.00 0.00 O ATOM 1223 CB GLU A 75 12.379 8.414 3.483 1.00 0.00 C ATOM 1224 CG GLU A 75 12.502 9.530 4.508 1.00 0.00 C ATOM 1225 CD GLU A 75 13.273 9.107 5.742 1.00 0.00 C ATOM 1226 OE1 GLU A 75 12.699 8.381 6.582 1.00 0.00 O ATOM 1227 OE2 GLU A 75 14.453 9.498 5.869 1.00 0.00 O ATOM 0 H GLU A 75 9.997 8.037 2.953 1.00 0.00 H new ATOM 0 HA GLU A 75 11.880 9.941 2.057 1.00 0.00 H new ATOM 0 HB2 GLU A 75 11.776 7.610 3.905 1.00 0.00 H new ATOM 0 HB3 GLU A 75 13.369 8.001 3.287 1.00 0.00 H new ATOM 0 HG2 GLU A 75 12.998 10.386 4.050 1.00 0.00 H new ATOM 0 HG3 GLU A 75 11.505 9.859 4.802 1.00 0.00 H new ATOM 1234 N LYS A 76 11.867 7.098 0.497 1.00 0.00 N ATOM 1235 CA LYS A 76 12.441 6.347 -0.612 1.00 0.00 C ATOM 1236 C LYS A 76 12.110 7.025 -1.931 1.00 0.00 C ATOM 1237 O LYS A 76 12.994 7.294 -2.751 1.00 0.00 O ATOM 1238 CB LYS A 76 11.916 4.910 -0.613 1.00 0.00 C ATOM 1239 CG LYS A 76 12.712 3.971 0.279 1.00 0.00 C ATOM 1240 CD LYS A 76 12.128 2.568 0.273 1.00 0.00 C ATOM 1241 CE LYS A 76 12.886 1.645 1.215 1.00 0.00 C ATOM 1242 NZ LYS A 76 12.300 1.645 2.583 1.00 0.00 N ATOM 0 H LYS A 76 10.985 6.724 0.847 1.00 0.00 H new ATOM 0 HA LYS A 76 13.524 6.322 -0.490 1.00 0.00 H new ATOM 0 HB2 LYS A 76 10.876 4.912 -0.288 1.00 0.00 H new ATOM 0 HB3 LYS A 76 11.930 4.527 -1.634 1.00 0.00 H new ATOM 0 HG2 LYS A 76 13.748 3.937 -0.060 1.00 0.00 H new ATOM 0 HG3 LYS A 76 12.723 4.357 1.298 1.00 0.00 H new ATOM 0 HD2 LYS A 76 11.079 2.608 0.567 1.00 0.00 H new ATOM 0 HD3 LYS A 76 12.160 2.164 -0.739 1.00 0.00 H new ATOM 0 HE2 LYS A 76 12.876 0.631 0.816 1.00 0.00 H new ATOM 0 HE3 LYS A 76 13.929 1.957 1.267 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 12.845 1.004 3.194 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 12.333 2.608 2.975 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 11.312 1.323 2.537 1.00 0.00 H new ATOM 1256 N VAL A 77 10.826 7.303 -2.125 1.00 0.00 N ATOM 1257 CA VAL A 77 10.367 7.965 -3.333 1.00 0.00 C ATOM 1258 C VAL A 77 11.019 9.334 -3.443 1.00 0.00 C ATOM 1259 O VAL A 77 11.191 9.871 -4.537 1.00 0.00 O ATOM 1260 CB VAL A 77 8.833 8.116 -3.351 1.00 0.00 C ATOM 1261 CG1 VAL A 77 8.358 8.951 -2.174 1.00 0.00 C ATOM 1262 CG2 VAL A 77 8.376 8.730 -4.661 1.00 0.00 C ATOM 0 H VAL A 77 10.087 7.079 -1.459 1.00 0.00 H new ATOM 0 HA VAL A 77 10.652 7.347 -4.185 1.00 0.00 H new ATOM 0 HB VAL A 77 8.391 7.124 -3.262 1.00 0.00 H new ATOM 0 HG11 VAL A 77 7.272 9.044 -2.208 1.00 0.00 H new ATOM 0 HG12 VAL A 77 8.652 8.467 -1.243 1.00 0.00 H new ATOM 0 HG13 VAL A 77 8.808 9.942 -2.226 1.00 0.00 H new ATOM 0 HG21 VAL A 77 7.291 8.830 -4.657 1.00 0.00 H new ATOM 0 HG22 VAL A 77 8.830 9.714 -4.780 1.00 0.00 H new ATOM 0 HG23 VAL A 77 8.678 8.088 -5.489 1.00 0.00 H new ATOM 1272 N GLU A 78 11.382 9.890 -2.289 1.00 0.00 N ATOM 1273 CA GLU A 78 12.043 11.182 -2.244 1.00 0.00 C ATOM 1274 C GLU A 78 13.342 11.107 -3.028 1.00 0.00 C ATOM 1275 O GLU A 78 13.628 11.961 -3.868 1.00 0.00 O ATOM 1276 CB GLU A 78 12.320 11.598 -0.798 1.00 0.00 C ATOM 1277 CG GLU A 78 11.339 12.630 -0.264 1.00 0.00 C ATOM 1278 CD GLU A 78 11.829 13.296 1.007 1.00 0.00 C ATOM 1279 OE1 GLU A 78 11.577 12.747 2.100 1.00 0.00 O ATOM 1280 OE2 GLU A 78 12.464 14.367 0.909 1.00 0.00 O ATOM 0 H GLU A 78 11.227 9.462 -1.376 1.00 0.00 H new ATOM 0 HA GLU A 78 11.390 11.932 -2.691 1.00 0.00 H new ATOM 0 HB2 GLU A 78 12.287 10.714 -0.161 1.00 0.00 H new ATOM 0 HB3 GLU A 78 13.331 12.001 -0.732 1.00 0.00 H new ATOM 0 HG2 GLU A 78 11.167 13.391 -1.025 1.00 0.00 H new ATOM 0 HG3 GLU A 78 10.380 12.149 -0.072 1.00 0.00 H new ATOM 1287 N ILE A 79 14.130 10.074 -2.737 1.00 0.00 N ATOM 1288 CA ILE A 79 15.399 9.859 -3.437 1.00 0.00 C ATOM 1289 C ILE A 79 15.182 9.668 -4.942 1.00 0.00 C ATOM 1290 O ILE A 79 16.130 9.410 -5.685 1.00 0.00 O ATOM 1291 CB ILE A 79 16.155 8.638 -2.875 1.00 0.00 C ATOM 1292 CG1 ILE A 79 16.173 8.681 -1.348 1.00 0.00 C ATOM 1293 CG2 ILE A 79 17.577 8.592 -3.417 1.00 0.00 C ATOM 1294 CD1 ILE A 79 15.799 7.364 -0.710 1.00 0.00 C ATOM 0 H ILE A 79 13.916 9.375 -2.026 1.00 0.00 H new ATOM 0 HA ILE A 79 16.000 10.753 -3.274 1.00 0.00 H new ATOM 0 HB ILE A 79 15.634 7.735 -3.194 1.00 0.00 H new ATOM 0 HG12 ILE A 79 17.168 8.971 -1.011 1.00 0.00 H new ATOM 0 HG13 ILE A 79 15.483 9.452 -1.005 1.00 0.00 H new ATOM 0 HG21 ILE A 79 18.094 7.724 -3.009 1.00 0.00 H new ATOM 0 HG22 ILE A 79 17.550 8.520 -4.504 1.00 0.00 H new ATOM 0 HG23 ILE A 79 18.107 9.499 -3.126 1.00 0.00 H new ATOM 0 HD11 ILE A 79 15.831 7.463 0.375 1.00 0.00 H new ATOM 0 HD12 ILE A 79 14.792 7.083 -1.019 1.00 0.00 H new ATOM 0 HD13 ILE A 79 16.503 6.594 -1.025 1.00 0.00 H new ATOM 1306 N LYS A 80 13.927 9.790 -5.378 1.00 0.00 N ATOM 1307 CA LYS A 80 13.557 9.650 -6.785 1.00 0.00 C ATOM 1308 C LYS A 80 13.461 8.177 -7.191 1.00 0.00 C ATOM 1309 O LYS A 80 14.460 7.460 -7.271 1.00 0.00 O ATOM 1310 CB LYS A 80 14.526 10.445 -7.676 1.00 0.00 C ATOM 1311 CG LYS A 80 15.414 9.606 -8.585 1.00 0.00 C ATOM 1312 CD LYS A 80 16.027 10.447 -9.694 1.00 0.00 C ATOM 1313 CE LYS A 80 17.538 10.539 -9.551 1.00 0.00 C ATOM 1314 NZ LYS A 80 18.203 10.812 -10.855 1.00 0.00 N ATOM 0 H LYS A 80 13.138 9.989 -4.763 1.00 0.00 H new ATOM 0 HA LYS A 80 12.563 10.073 -6.928 1.00 0.00 H new ATOM 0 HB2 LYS A 80 13.946 11.130 -8.294 1.00 0.00 H new ATOM 0 HB3 LYS A 80 15.163 11.056 -7.036 1.00 0.00 H new ATOM 0 HG2 LYS A 80 16.207 9.144 -7.996 1.00 0.00 H new ATOM 0 HG3 LYS A 80 14.829 8.797 -9.022 1.00 0.00 H new ATOM 0 HD2 LYS A 80 15.778 10.013 -10.662 1.00 0.00 H new ATOM 0 HD3 LYS A 80 15.597 11.448 -9.673 1.00 0.00 H new ATOM 0 HE2 LYS A 80 17.788 11.329 -8.843 1.00 0.00 H new ATOM 0 HE3 LYS A 80 17.921 9.607 -9.136 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 19.232 10.867 -10.715 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 17.985 10.045 -11.523 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 17.857 11.714 -11.239 1.00 0.00 H new ATOM 1328 N GLN A 81 12.226 7.733 -7.400 1.00 0.00 N ATOM 1329 CA GLN A 81 11.959 6.357 -7.801 1.00 0.00 C ATOM 1330 C GLN A 81 10.529 6.184 -8.302 1.00 0.00 C ATOM 1331 O GLN A 81 10.307 5.705 -9.414 1.00 0.00 O ATOM 1332 CB GLN A 81 12.215 5.408 -6.629 1.00 0.00 C ATOM 1333 CG GLN A 81 13.407 4.489 -6.841 1.00 0.00 C ATOM 1334 CD GLN A 81 13.328 3.228 -6.002 1.00 0.00 C ATOM 1335 OE1 GLN A 81 12.744 3.225 -4.918 1.00 0.00 O ATOM 1336 NE2 GLN A 81 13.920 2.149 -6.500 1.00 0.00 N ATOM 0 H GLN A 81 11.391 8.310 -7.298 1.00 0.00 H new ATOM 0 HA GLN A 81 12.635 6.115 -8.621 1.00 0.00 H new ATOM 0 HB2 GLN A 81 12.376 5.995 -5.725 1.00 0.00 H new ATOM 0 HB3 GLN A 81 11.325 4.802 -6.462 1.00 0.00 H new ATOM 0 HG2 GLN A 81 13.468 4.217 -7.895 1.00 0.00 H new ATOM 0 HG3 GLN A 81 14.323 5.026 -6.597 1.00 0.00 H new ATOM 0 HE21 GLN A 81 14.393 2.197 -7.403 1.00 0.00 H new ATOM 0 HE22 GLN A 81 13.902 1.272 -5.980 1.00 0.00 H new ATOM 1345 N LEU A 82 9.562 6.575 -7.478 1.00 0.00 N ATOM 1346 CA LEU A 82 8.155 6.445 -7.843 1.00 0.00 C ATOM 1347 C LEU A 82 7.425 7.782 -7.743 1.00 0.00 C ATOM 1348 O LEU A 82 6.414 7.897 -7.048 1.00 0.00 O ATOM 1349 CB LEU A 82 7.472 5.406 -6.950 1.00 0.00 C ATOM 1350 CG LEU A 82 8.055 5.270 -5.543 1.00 0.00 C ATOM 1351 CD1 LEU A 82 6.943 5.194 -4.510 1.00 0.00 C ATOM 1352 CD2 LEU A 82 8.953 4.045 -5.457 1.00 0.00 C ATOM 0 H LEU A 82 9.725 6.983 -6.557 1.00 0.00 H new ATOM 0 HA LEU A 82 8.109 6.115 -8.881 1.00 0.00 H new ATOM 0 HB2 LEU A 82 6.416 5.662 -6.865 1.00 0.00 H new ATOM 0 HB3 LEU A 82 7.526 4.435 -7.443 1.00 0.00 H new ATOM 0 HG LEU A 82 8.658 6.153 -5.331 1.00 0.00 H new ATOM 0 HD11 LEU A 82 7.377 5.097 -3.515 1.00 0.00 H new ATOM 0 HD12 LEU A 82 6.340 6.101 -4.557 1.00 0.00 H new ATOM 0 HD13 LEU A 82 6.313 4.329 -4.717 1.00 0.00 H new ATOM 0 HD21 LEU A 82 9.360 3.962 -4.449 1.00 0.00 H new ATOM 0 HD22 LEU A 82 8.373 3.152 -5.688 1.00 0.00 H new ATOM 0 HD23 LEU A 82 9.770 4.142 -6.172 1.00 0.00 H new ATOM 1364 N ASN A 83 7.940 8.790 -8.439 1.00 0.00 N ATOM 1365 CA ASN A 83 7.320 10.111 -8.435 1.00 0.00 C ATOM 1366 C ASN A 83 5.924 10.044 -9.045 1.00 0.00 C ATOM 1367 O ASN A 83 5.002 10.730 -8.600 1.00 0.00 O ATOM 1368 CB ASN A 83 8.186 11.106 -9.212 1.00 0.00 C ATOM 1369 CG ASN A 83 7.581 12.496 -9.246 1.00 0.00 C ATOM 1370 OD1 ASN A 83 7.014 12.914 -10.254 1.00 0.00 O ATOM 1371 ND2 ASN A 83 7.701 13.221 -8.139 1.00 0.00 N ATOM 0 H ASN A 83 8.782 8.719 -9.011 1.00 0.00 H new ATOM 0 HA ASN A 83 7.235 10.450 -7.403 1.00 0.00 H new ATOM 0 HB2 ASN A 83 9.175 11.154 -8.757 1.00 0.00 H new ATOM 0 HB3 ASN A 83 8.321 10.747 -10.232 1.00 0.00 H new ATOM 0 HD21 ASN A 83 7.315 14.164 -8.103 1.00 0.00 H new ATOM 0 HD22 ASN A 83 8.180 12.834 -7.325 1.00 0.00 H new ATOM 1378 N HIS A 84 5.779 9.209 -10.069 1.00 0.00 N ATOM 1379 CA HIS A 84 4.498 9.035 -10.744 1.00 0.00 C ATOM 1380 C HIS A 84 3.491 8.362 -9.819 1.00 0.00 C ATOM 1381 O HIS A 84 2.334 8.776 -9.740 1.00 0.00 O ATOM 1382 CB HIS A 84 4.677 8.200 -12.015 1.00 0.00 C ATOM 1383 CG HIS A 84 5.675 7.094 -11.866 1.00 0.00 C ATOM 1384 ND1 HIS A 84 7.031 7.277 -12.032 1.00 0.00 N ATOM 1385 CD2 HIS A 84 5.510 5.786 -11.555 1.00 0.00 C ATOM 1386 CE1 HIS A 84 7.656 6.131 -11.831 1.00 0.00 C ATOM 1387 NE2 HIS A 84 6.756 5.210 -11.540 1.00 0.00 N ATOM 0 H HIS A 84 6.535 8.641 -10.450 1.00 0.00 H new ATOM 0 HA HIS A 84 4.118 10.020 -11.016 1.00 0.00 H new ATOM 0 HB2 HIS A 84 3.715 7.775 -12.300 1.00 0.00 H new ATOM 0 HB3 HIS A 84 4.990 8.854 -12.829 1.00 0.00 H new ATOM 0 HD2 HIS A 84 4.572 5.289 -11.356 1.00 0.00 H new ATOM 0 HE1 HIS A 84 8.723 5.974 -11.894 1.00 0.00 H new ATOM 0 HE2 HIS A 84 6.954 4.230 -11.337 1.00 0.00 H new ATOM 1396 N PHE A 85 3.941 7.321 -9.122 1.00 0.00 N ATOM 1397 CA PHE A 85 3.087 6.583 -8.196 1.00 0.00 C ATOM 1398 C PHE A 85 2.407 7.527 -7.211 1.00 0.00 C ATOM 1399 O PHE A 85 1.198 7.445 -6.993 1.00 0.00 O ATOM 1400 CB PHE A 85 3.909 5.543 -7.431 1.00 0.00 C ATOM 1401 CG PHE A 85 3.107 4.358 -6.966 1.00 0.00 C ATOM 1402 CD1 PHE A 85 2.759 3.351 -7.852 1.00 0.00 C ATOM 1403 CD2 PHE A 85 2.707 4.249 -5.643 1.00 0.00 C ATOM 1404 CE1 PHE A 85 2.026 2.259 -7.429 1.00 0.00 C ATOM 1405 CE2 PHE A 85 1.973 3.157 -5.213 1.00 0.00 C ATOM 1406 CZ PHE A 85 1.632 2.162 -6.108 1.00 0.00 C ATOM 0 H PHE A 85 4.896 6.969 -9.182 1.00 0.00 H new ATOM 0 HA PHE A 85 2.318 6.076 -8.778 1.00 0.00 H new ATOM 0 HB2 PHE A 85 4.720 5.193 -8.070 1.00 0.00 H new ATOM 0 HB3 PHE A 85 4.368 6.021 -6.566 1.00 0.00 H new ATOM 0 HD1 PHE A 85 3.064 3.421 -8.886 1.00 0.00 H new ATOM 0 HD2 PHE A 85 2.971 5.025 -4.940 1.00 0.00 H new ATOM 0 HE1 PHE A 85 1.761 1.482 -8.130 1.00 0.00 H new ATOM 0 HE2 PHE A 85 1.668 3.083 -4.180 1.00 0.00 H new ATOM 0 HZ PHE A 85 1.058 1.309 -5.776 1.00 0.00 H new ATOM 1416 N TRP A 86 3.191 8.429 -6.626 1.00 0.00 N ATOM 1417 CA TRP A 86 2.674 9.383 -5.659 1.00 0.00 C ATOM 1418 C TRP A 86 1.554 10.225 -6.262 1.00 0.00 C ATOM 1419 O TRP A 86 0.532 10.464 -5.618 1.00 0.00 O ATOM 1420 CB TRP A 86 3.806 10.279 -5.165 1.00 0.00 C ATOM 1421 CG TRP A 86 3.482 10.999 -3.898 1.00 0.00 C ATOM 1422 CD1 TRP A 86 3.498 12.345 -3.707 1.00 0.00 C ATOM 1423 CD2 TRP A 86 3.097 10.415 -2.649 1.00 0.00 C ATOM 1424 NE1 TRP A 86 3.145 12.642 -2.412 1.00 0.00 N ATOM 1425 CE2 TRP A 86 2.894 11.472 -1.742 1.00 0.00 C ATOM 1426 CE3 TRP A 86 2.902 9.102 -2.211 1.00 0.00 C ATOM 1427 CZ2 TRP A 86 2.507 11.255 -0.422 1.00 0.00 C ATOM 1428 CZ3 TRP A 86 2.518 8.889 -0.901 1.00 0.00 C ATOM 1429 CH2 TRP A 86 2.323 9.960 -0.020 1.00 0.00 C ATOM 0 H TRP A 86 4.191 8.516 -6.809 1.00 0.00 H new ATOM 0 HA TRP A 86 2.258 8.831 -4.816 1.00 0.00 H new ATOM 0 HB2 TRP A 86 4.699 9.673 -5.012 1.00 0.00 H new ATOM 0 HB3 TRP A 86 4.045 11.009 -5.938 1.00 0.00 H new ATOM 0 HD1 TRP A 86 3.751 13.074 -4.462 1.00 0.00 H new ATOM 0 HE1 TRP A 86 3.080 13.579 -2.015 1.00 0.00 H new ATOM 0 HE3 TRP A 86 3.049 8.270 -2.884 1.00 0.00 H new ATOM 0 HZ2 TRP A 86 2.357 12.079 0.260 1.00 0.00 H new ATOM 0 HZ3 TRP A 86 2.366 7.879 -0.550 1.00 0.00 H new ATOM 0 HH2 TRP A 86 2.021 9.760 0.997 1.00 0.00 H new ATOM 1440 N GLU A 87 1.753 10.676 -7.497 1.00 0.00 N ATOM 1441 CA GLU A 87 0.750 11.483 -8.181 1.00 0.00 C ATOM 1442 C GLU A 87 -0.506 10.659 -8.429 1.00 0.00 C ATOM 1443 O GLU A 87 -1.627 11.146 -8.272 1.00 0.00 O ATOM 1444 CB GLU A 87 1.302 12.013 -9.507 1.00 0.00 C ATOM 1445 CG GLU A 87 2.420 13.028 -9.339 1.00 0.00 C ATOM 1446 CD GLU A 87 1.984 14.438 -9.684 1.00 0.00 C ATOM 1447 OE1 GLU A 87 2.036 14.801 -10.878 1.00 0.00 O ATOM 1448 OE2 GLU A 87 1.589 15.181 -8.760 1.00 0.00 O ATOM 0 H GLU A 87 2.596 10.497 -8.042 1.00 0.00 H new ATOM 0 HA GLU A 87 0.496 12.332 -7.546 1.00 0.00 H new ATOM 0 HB2 GLU A 87 1.670 11.175 -10.099 1.00 0.00 H new ATOM 0 HB3 GLU A 87 0.490 12.470 -10.072 1.00 0.00 H new ATOM 0 HG2 GLU A 87 2.776 13.004 -8.309 1.00 0.00 H new ATOM 0 HG3 GLU A 87 3.260 12.746 -9.974 1.00 0.00 H new ATOM 1455 N ILE A 88 -0.310 9.405 -8.823 1.00 0.00 N ATOM 1456 CA ILE A 88 -1.425 8.500 -9.079 1.00 0.00 C ATOM 1457 C ILE A 88 -2.059 8.054 -7.766 1.00 0.00 C ATOM 1458 O ILE A 88 -3.200 7.596 -7.735 1.00 0.00 O ATOM 1459 CB ILE A 88 -0.985 7.260 -9.884 1.00 0.00 C ATOM 1460 CG1 ILE A 88 -0.130 7.676 -11.082 1.00 0.00 C ATOM 1461 CG2 ILE A 88 -2.201 6.474 -10.348 1.00 0.00 C ATOM 1462 CD1 ILE A 88 0.895 6.637 -11.483 1.00 0.00 C ATOM 0 H ILE A 88 0.611 8.992 -8.972 1.00 0.00 H new ATOM 0 HA ILE A 88 -2.156 9.049 -9.673 1.00 0.00 H new ATOM 0 HB ILE A 88 -0.384 6.621 -9.237 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -0.783 7.877 -11.931 1.00 0.00 H new ATOM 0 HG13 ILE A 88 0.383 8.608 -10.846 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -1.876 5.602 -10.915 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -2.777 6.150 -9.481 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -2.823 7.107 -10.981 1.00 0.00 H new ATOM 0 HD11 ILE A 88 1.465 6.999 -12.339 1.00 0.00 H new ATOM 0 HD12 ILE A 88 1.571 6.452 -10.649 1.00 0.00 H new ATOM 0 HD13 ILE A 88 0.388 5.710 -11.751 1.00 0.00 H new ATOM 1474 N VAL A 89 -1.299 8.196 -6.683 1.00 0.00 N ATOM 1475 CA VAL A 89 -1.771 7.809 -5.359 1.00 0.00 C ATOM 1476 C VAL A 89 -2.711 8.872 -4.802 1.00 0.00 C ATOM 1477 O VAL A 89 -3.742 8.558 -4.207 1.00 0.00 O ATOM 1478 CB VAL A 89 -0.597 7.588 -4.380 1.00 0.00 C ATOM 1479 CG1 VAL A 89 -1.053 7.736 -2.935 1.00 0.00 C ATOM 1480 CG2 VAL A 89 0.031 6.220 -4.603 1.00 0.00 C ATOM 0 H VAL A 89 -0.353 8.577 -6.698 1.00 0.00 H new ATOM 0 HA VAL A 89 -2.308 6.866 -5.464 1.00 0.00 H new ATOM 0 HB VAL A 89 0.154 8.353 -4.576 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -0.206 7.575 -2.268 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -1.452 8.739 -2.780 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -1.828 7.000 -2.721 1.00 0.00 H new ATOM 0 HG21 VAL A 89 0.857 6.081 -3.905 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -0.718 5.445 -4.439 1.00 0.00 H new ATOM 0 HG23 VAL A 89 0.405 6.153 -5.625 1.00 0.00 H new ATOM 1490 N VAL A 90 -2.355 10.136 -5.009 1.00 0.00 N ATOM 1491 CA VAL A 90 -3.175 11.239 -4.529 1.00 0.00 C ATOM 1492 C VAL A 90 -4.423 11.378 -5.394 1.00 0.00 C ATOM 1493 O VAL A 90 -5.474 11.816 -4.927 1.00 0.00 O ATOM 1494 CB VAL A 90 -2.394 12.571 -4.526 1.00 0.00 C ATOM 1495 CG1 VAL A 90 -2.090 13.028 -5.945 1.00 0.00 C ATOM 1496 CG2 VAL A 90 -3.166 13.640 -3.769 1.00 0.00 C ATOM 0 H VAL A 90 -1.509 10.419 -5.503 1.00 0.00 H new ATOM 0 HA VAL A 90 -3.463 11.014 -3.502 1.00 0.00 H new ATOM 0 HB VAL A 90 -1.445 12.407 -4.016 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -1.539 13.968 -5.914 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -1.489 12.272 -6.450 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -3.024 13.172 -6.489 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -2.600 14.572 -3.777 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -4.133 13.798 -4.247 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -3.319 13.318 -2.739 1.00 0.00 H new ATOM 1506 N GLN A 91 -4.288 10.998 -6.660 1.00 0.00 N ATOM 1507 CA GLN A 91 -5.395 11.060 -7.605 1.00 0.00 C ATOM 1508 C GLN A 91 -6.389 9.931 -7.346 1.00 0.00 C ATOM 1509 O GLN A 91 -7.592 10.167 -7.232 1.00 0.00 O ATOM 1510 CB GLN A 91 -4.876 10.981 -9.041 1.00 0.00 C ATOM 1511 CG GLN A 91 -4.424 12.319 -9.600 1.00 0.00 C ATOM 1512 CD GLN A 91 -3.891 12.210 -11.015 1.00 0.00 C ATOM 1513 OE1 GLN A 91 -2.809 11.671 -11.243 1.00 0.00 O ATOM 1514 NE2 GLN A 91 -4.651 12.725 -11.974 1.00 0.00 N ATOM 0 H GLN A 91 -3.418 10.642 -7.056 1.00 0.00 H new ATOM 0 HA GLN A 91 -5.907 12.012 -7.467 1.00 0.00 H new ATOM 0 HB2 GLN A 91 -4.042 10.281 -9.079 1.00 0.00 H new ATOM 0 HB3 GLN A 91 -5.661 10.576 -9.680 1.00 0.00 H new ATOM 0 HG2 GLN A 91 -5.261 13.017 -9.584 1.00 0.00 H new ATOM 0 HG3 GLN A 91 -3.650 12.735 -8.955 1.00 0.00 H new ATOM 0 HE21 GLN A 91 -5.542 13.163 -11.739 1.00 0.00 H new ATOM 0 HE22 GLN A 91 -4.344 12.683 -12.946 1.00 0.00 H new ATOM 1523 N ASP A 92 -5.878 8.704 -7.259 1.00 0.00 N ATOM 1524 CA ASP A 92 -6.726 7.540 -7.012 1.00 0.00 C ATOM 1525 C ASP A 92 -7.521 7.687 -5.718 1.00 0.00 C ATOM 1526 O ASP A 92 -8.518 6.995 -5.514 1.00 0.00 O ATOM 1527 CB ASP A 92 -5.876 6.269 -6.957 1.00 0.00 C ATOM 1528 CG ASP A 92 -6.717 5.009 -7.001 1.00 0.00 C ATOM 1529 OD1 ASP A 92 -7.210 4.587 -5.933 1.00 0.00 O ATOM 1530 OD2 ASP A 92 -6.883 4.442 -8.101 1.00 0.00 O ATOM 0 H ASP A 92 -4.885 8.491 -7.355 1.00 0.00 H new ATOM 0 HA ASP A 92 -7.435 7.468 -7.837 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -5.178 6.266 -7.794 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -5.280 6.273 -6.044 1.00 0.00 H new ATOM 1535 N GLY A 93 -7.079 8.586 -4.847 1.00 0.00 N ATOM 1536 CA GLY A 93 -7.792 8.812 -3.603 1.00 0.00 C ATOM 1537 C GLY A 93 -7.171 8.122 -2.402 1.00 0.00 C ATOM 1538 O GLY A 93 -7.378 8.560 -1.270 1.00 0.00 O ATOM 0 H GLY A 93 -6.246 9.159 -4.978 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -7.836 9.884 -3.411 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -8.819 8.466 -3.717 1.00 0.00 H new ATOM 1542 N ILE A 94 -6.419 7.044 -2.630 1.00 0.00 N ATOM 1543 CA ILE A 94 -5.788 6.319 -1.528 1.00 0.00 C ATOM 1544 C ILE A 94 -5.105 7.282 -0.567 1.00 0.00 C ATOM 1545 O ILE A 94 -4.112 7.926 -0.910 1.00 0.00 O ATOM 1546 CB ILE A 94 -4.761 5.281 -2.026 1.00 0.00 C ATOM 1547 CG1 ILE A 94 -4.146 5.722 -3.356 1.00 0.00 C ATOM 1548 CG2 ILE A 94 -5.419 3.916 -2.164 1.00 0.00 C ATOM 1549 CD1 ILE A 94 -3.070 4.787 -3.867 1.00 0.00 C ATOM 0 H ILE A 94 -6.234 6.658 -3.556 1.00 0.00 H new ATOM 0 HA ILE A 94 -6.585 5.787 -1.008 1.00 0.00 H new ATOM 0 HB ILE A 94 -3.959 5.207 -1.292 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -4.935 5.797 -4.104 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -3.723 6.719 -3.238 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -4.684 3.192 -2.516 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -5.806 3.599 -1.195 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -6.239 3.978 -2.879 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -2.680 5.163 -4.813 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -2.261 4.730 -3.138 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -3.493 3.794 -4.018 1.00 0.00 H new ATOM 1561 N THR A 95 -5.647 7.372 0.642 1.00 0.00 N ATOM 1562 CA THR A 95 -5.116 8.268 1.661 1.00 0.00 C ATOM 1563 C THR A 95 -4.119 7.567 2.572 1.00 0.00 C ATOM 1564 O THR A 95 -3.657 6.463 2.285 1.00 0.00 O ATOM 1565 CB THR A 95 -6.243 8.872 2.519 1.00 0.00 C ATOM 1566 OG1 THR A 95 -6.867 7.846 3.303 1.00 0.00 O ATOM 1567 CG2 THR A 95 -7.286 9.552 1.645 1.00 0.00 C ATOM 0 H THR A 95 -6.459 6.832 0.941 1.00 0.00 H new ATOM 0 HA THR A 95 -4.601 9.067 1.127 1.00 0.00 H new ATOM 0 HB THR A 95 -5.803 9.619 3.180 1.00 0.00 H new ATOM 0 HG1 THR A 95 -7.581 8.239 3.847 1.00 0.00 H new ATOM 0 HG21 THR A 95 -8.071 9.971 2.274 1.00 0.00 H new ATOM 0 HG22 THR A 95 -6.816 10.351 1.072 1.00 0.00 H new ATOM 0 HG23 THR A 95 -7.720 8.822 0.961 1.00 0.00 H new ATOM 1575 N LEU A 96 -3.795 8.230 3.674 1.00 0.00 N ATOM 1576 CA LEU A 96 -2.841 7.704 4.637 1.00 0.00 C ATOM 1577 C LEU A 96 -3.546 6.841 5.677 1.00 0.00 C ATOM 1578 O LEU A 96 -4.681 6.410 5.474 1.00 0.00 O ATOM 1579 CB LEU A 96 -2.087 8.855 5.311 1.00 0.00 C ATOM 1580 CG LEU A 96 -0.823 9.324 4.579 1.00 0.00 C ATOM 1581 CD1 LEU A 96 0.378 8.497 5.009 1.00 0.00 C ATOM 1582 CD2 LEU A 96 -1.006 9.253 3.068 1.00 0.00 C ATOM 0 H LEU A 96 -4.183 9.140 3.923 1.00 0.00 H new ATOM 0 HA LEU A 96 -2.122 7.077 4.109 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -2.765 9.703 5.412 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -1.810 8.546 6.319 1.00 0.00 H new ATOM 0 HG LEU A 96 -0.644 10.365 4.848 1.00 0.00 H new ATOM 0 HD11 LEU A 96 1.266 8.843 4.480 1.00 0.00 H new ATOM 0 HD12 LEU A 96 0.529 8.606 6.083 1.00 0.00 H new ATOM 0 HD13 LEU A 96 0.201 7.448 4.773 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -0.095 9.591 2.575 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -1.217 8.225 2.775 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -1.838 9.892 2.772 1.00 0.00 H new ATOM 1594 N ILE A 97 -2.868 6.592 6.790 1.00 0.00 N ATOM 1595 CA ILE A 97 -3.427 5.775 7.854 1.00 0.00 C ATOM 1596 C ILE A 97 -3.786 6.623 9.073 1.00 0.00 C ATOM 1597 O ILE A 97 -2.909 7.150 9.761 1.00 0.00 O ATOM 1598 CB ILE A 97 -2.442 4.658 8.264 1.00 0.00 C ATOM 1599 CG1 ILE A 97 -2.715 3.385 7.456 1.00 0.00 C ATOM 1600 CG2 ILE A 97 -2.533 4.375 9.757 1.00 0.00 C ATOM 1601 CD1 ILE A 97 -2.127 3.415 6.060 1.00 0.00 C ATOM 0 H ILE A 97 -1.930 6.945 6.977 1.00 0.00 H new ATOM 0 HA ILE A 97 -4.339 5.318 7.470 1.00 0.00 H new ATOM 0 HB ILE A 97 -1.429 4.998 8.047 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -2.308 2.529 7.994 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -3.792 3.234 7.384 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -1.830 3.585 10.021 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -2.289 5.279 10.314 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -3.546 4.058 10.006 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -2.360 2.482 5.547 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -2.552 4.251 5.504 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -1.045 3.534 6.123 1.00 0.00 H new ATOM 1613 N THR A 98 -5.082 6.778 9.320 1.00 0.00 N ATOM 1614 CA THR A 98 -5.552 7.541 10.468 1.00 0.00 C ATOM 1615 C THR A 98 -6.070 6.611 11.560 1.00 0.00 C ATOM 1616 O THR A 98 -6.767 5.637 11.276 1.00 0.00 O ATOM 1617 CB THR A 98 -6.670 8.523 10.072 1.00 0.00 C ATOM 1618 OG1 THR A 98 -6.937 8.422 8.667 1.00 0.00 O ATOM 1619 CG2 THR A 98 -6.284 9.953 10.417 1.00 0.00 C ATOM 0 H THR A 98 -5.824 6.386 8.741 1.00 0.00 H new ATOM 0 HA THR A 98 -4.701 8.109 10.845 1.00 0.00 H new ATOM 0 HB THR A 98 -7.567 8.261 10.633 1.00 0.00 H new ATOM 0 HG1 THR A 98 -7.650 9.048 8.424 1.00 0.00 H new ATOM 0 HG21 THR A 98 -7.090 10.627 10.128 1.00 0.00 H new ATOM 0 HG22 THR A 98 -6.111 10.034 11.490 1.00 0.00 H new ATOM 0 HG23 THR A 98 -5.374 10.224 9.881 1.00 0.00 H new ATOM 1627 N LYS A 99 -5.717 6.907 12.807 1.00 0.00 N ATOM 1628 CA LYS A 99 -6.152 6.093 13.938 1.00 0.00 C ATOM 1629 C LYS A 99 -7.669 5.944 13.945 1.00 0.00 C ATOM 1630 O LYS A 99 -8.201 4.927 14.388 1.00 0.00 O ATOM 1631 CB LYS A 99 -5.683 6.713 15.255 1.00 0.00 C ATOM 1632 CG LYS A 99 -4.580 5.924 15.940 1.00 0.00 C ATOM 1633 CD LYS A 99 -4.552 6.188 17.436 1.00 0.00 C ATOM 1634 CE LYS A 99 -3.727 7.420 17.770 1.00 0.00 C ATOM 1635 NZ LYS A 99 -4.061 7.967 19.113 1.00 0.00 N ATOM 0 H LYS A 99 -5.132 7.703 13.060 1.00 0.00 H new ATOM 0 HA LYS A 99 -5.706 5.104 13.834 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -5.329 7.726 15.064 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -6.534 6.795 15.932 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -4.728 4.859 15.760 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -3.617 6.190 15.505 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -5.570 6.321 17.802 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -4.138 5.321 17.952 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -2.667 7.167 17.735 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -3.897 8.186 17.014 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -3.476 8.806 19.301 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -5.066 8.233 19.140 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -3.874 7.245 19.838 1.00 0.00 H new ATOM 1649 N GLU A 100 -8.360 6.966 13.450 1.00 0.00 N ATOM 1650 CA GLU A 100 -9.815 6.946 13.396 1.00 0.00 C ATOM 1651 C GLU A 100 -10.294 5.981 12.321 1.00 0.00 C ATOM 1652 O GLU A 100 -11.367 5.388 12.439 1.00 0.00 O ATOM 1653 CB GLU A 100 -10.353 8.352 13.134 1.00 0.00 C ATOM 1654 CG GLU A 100 -11.871 8.432 13.118 1.00 0.00 C ATOM 1655 CD GLU A 100 -12.379 9.846 12.911 1.00 0.00 C ATOM 1656 OE1 GLU A 100 -12.145 10.696 13.796 1.00 0.00 O ATOM 1657 OE2 GLU A 100 -13.010 10.103 11.865 1.00 0.00 O ATOM 0 H GLU A 100 -7.935 7.817 13.081 1.00 0.00 H new ATOM 0 HA GLU A 100 -10.195 6.603 14.358 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -9.970 9.026 13.900 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -9.969 8.706 12.177 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -12.256 7.792 12.324 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -12.261 8.044 14.059 1.00 0.00 H new ATOM 1664 N GLU A 101 -9.491 5.828 11.274 1.00 0.00 N ATOM 1665 CA GLU A 101 -9.825 4.917 10.188 1.00 0.00 C ATOM 1666 C GLU A 101 -9.790 3.476 10.685 1.00 0.00 C ATOM 1667 O GLU A 101 -10.198 2.551 9.982 1.00 0.00 O ATOM 1668 CB GLU A 101 -8.852 5.094 9.020 1.00 0.00 C ATOM 1669 CG GLU A 101 -9.222 6.237 8.089 1.00 0.00 C ATOM 1670 CD GLU A 101 -8.598 6.094 6.714 1.00 0.00 C ATOM 1671 OE1 GLU A 101 -7.439 6.525 6.541 1.00 0.00 O ATOM 1672 OE2 GLU A 101 -9.268 5.552 5.811 1.00 0.00 O ATOM 0 H GLU A 101 -8.607 6.322 11.155 1.00 0.00 H new ATOM 0 HA GLU A 101 -10.831 5.148 9.838 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -7.851 5.267 9.415 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -8.813 4.168 8.447 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -10.306 6.283 7.989 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -8.903 7.180 8.533 1.00 0.00 H new ATOM 1679 N ALA A 102 -9.298 3.303 11.909 1.00 0.00 N ATOM 1680 CA ALA A 102 -9.202 1.987 12.527 1.00 0.00 C ATOM 1681 C ALA A 102 -9.403 2.089 14.039 1.00 0.00 C ATOM 1682 O ALA A 102 -10.389 2.662 14.501 1.00 0.00 O ATOM 1683 CB ALA A 102 -7.860 1.351 12.196 1.00 0.00 C ATOM 0 H ALA A 102 -8.958 4.065 12.495 1.00 0.00 H new ATOM 0 HA ALA A 102 -9.991 1.351 12.127 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -7.798 0.368 12.663 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -7.764 1.246 11.115 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -7.055 1.982 12.573 1.00 0.00 H new ATOM 1689 N SER A 103 -8.469 1.534 14.809 1.00 0.00 N ATOM 1690 CA SER A 103 -8.556 1.576 16.265 1.00 0.00 C ATOM 1691 C SER A 103 -7.875 2.827 16.814 1.00 0.00 C ATOM 1692 O SER A 103 -6.969 3.376 16.188 1.00 0.00 O ATOM 1693 CB SER A 103 -7.918 0.325 16.873 1.00 0.00 C ATOM 1694 OG SER A 103 -6.521 0.300 16.639 1.00 0.00 O ATOM 0 H SER A 103 -7.646 1.051 14.449 1.00 0.00 H new ATOM 0 HA SER A 103 -9.610 1.607 16.540 1.00 0.00 H new ATOM 0 HB2 SER A 103 -8.111 0.299 17.946 1.00 0.00 H new ATOM 0 HB3 SER A 103 -8.378 -0.566 16.445 1.00 0.00 H new ATOM 0 HG SER A 103 -6.137 -0.508 17.039 1.00 0.00 H new ATOM 1700 N GLY A 104 -8.316 3.269 17.989 1.00 0.00 N ATOM 1701 CA GLY A 104 -7.738 4.452 18.602 1.00 0.00 C ATOM 1702 C GLY A 104 -8.644 5.664 18.504 1.00 0.00 C ATOM 1703 O GLY A 104 -9.865 5.547 18.612 1.00 0.00 O ATOM 0 H GLY A 104 -9.063 2.829 18.527 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -7.526 4.246 19.651 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -6.785 4.676 18.122 1.00 0.00 H new ATOM 1707 N SER A 105 -8.042 6.833 18.298 1.00 0.00 N ATOM 1708 CA SER A 105 -8.796 8.076 18.186 1.00 0.00 C ATOM 1709 C SER A 105 -8.555 8.723 16.824 1.00 0.00 C ATOM 1710 O SER A 105 -8.903 8.151 15.796 1.00 0.00 O ATOM 1711 CB SER A 105 -8.407 9.035 19.314 1.00 0.00 C ATOM 1712 OG SER A 105 -8.951 8.612 20.553 1.00 0.00 O ATOM 0 H SER A 105 -7.032 6.944 18.205 1.00 0.00 H new ATOM 0 HA SER A 105 -9.859 7.850 18.276 1.00 0.00 H new ATOM 0 HB2 SER A 105 -7.321 9.091 19.390 1.00 0.00 H new ATOM 0 HB3 SER A 105 -8.762 10.039 19.081 1.00 0.00 H new ATOM 0 HG SER A 105 -8.687 9.240 21.258 1.00 0.00 H new ATOM 1718 N SER A 106 -7.959 9.913 16.817 1.00 0.00 N ATOM 1719 CA SER A 106 -7.680 10.613 15.570 1.00 0.00 C ATOM 1720 C SER A 106 -6.197 10.937 15.469 1.00 0.00 C ATOM 1721 O SER A 106 -5.756 12.006 15.892 1.00 0.00 O ATOM 1722 CB SER A 106 -8.507 11.897 15.483 1.00 0.00 C ATOM 1723 OG SER A 106 -8.585 12.363 14.147 1.00 0.00 O ATOM 0 H SER A 106 -7.662 10.409 17.657 1.00 0.00 H new ATOM 0 HA SER A 106 -7.955 9.964 14.739 1.00 0.00 H new ATOM 0 HB2 SER A 106 -9.511 11.714 15.867 1.00 0.00 H new ATOM 0 HB3 SER A 106 -8.060 12.665 16.114 1.00 0.00 H new ATOM 0 HG SER A 106 -9.120 13.184 14.117 1.00 0.00 H new ATOM 1729 N VAL A 107 -5.432 10.003 14.914 1.00 0.00 N ATOM 1730 CA VAL A 107 -3.994 10.180 14.757 1.00 0.00 C ATOM 1731 C VAL A 107 -3.647 11.565 14.218 1.00 0.00 C ATOM 1732 O VAL A 107 -4.427 12.172 13.483 1.00 0.00 O ATOM 1733 CB VAL A 107 -3.395 9.084 13.847 1.00 0.00 C ATOM 1734 CG1 VAL A 107 -3.248 9.558 12.405 1.00 0.00 C ATOM 1735 CG2 VAL A 107 -2.067 8.614 14.408 1.00 0.00 C ATOM 0 H VAL A 107 -5.786 9.113 14.564 1.00 0.00 H new ATOM 0 HA VAL A 107 -3.552 10.089 15.749 1.00 0.00 H new ATOM 0 HB VAL A 107 -4.088 8.243 13.831 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -2.823 8.757 11.800 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -4.227 9.831 12.010 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -2.589 10.425 12.373 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -1.652 7.842 13.761 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -1.376 9.455 14.459 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -2.218 8.207 15.408 1.00 0.00 H new ATOM 1745 N THR A 108 -2.469 12.056 14.599 1.00 0.00 N ATOM 1746 CA THR A 108 -2.006 13.372 14.175 1.00 0.00 C ATOM 1747 C THR A 108 -2.178 13.569 12.674 1.00 0.00 C ATOM 1748 O THR A 108 -2.134 12.612 11.900 1.00 0.00 O ATOM 1749 CB THR A 108 -0.526 13.591 14.541 1.00 0.00 C ATOM 1750 OG1 THR A 108 -0.060 14.827 13.985 1.00 0.00 O ATOM 1751 CG2 THR A 108 0.333 12.444 14.029 1.00 0.00 C ATOM 0 H THR A 108 -1.816 11.558 15.204 1.00 0.00 H new ATOM 0 HA THR A 108 -2.619 14.102 14.703 1.00 0.00 H new ATOM 0 HB THR A 108 -0.446 13.629 15.627 1.00 0.00 H new ATOM 0 HG1 THR A 108 0.881 14.959 14.224 1.00 0.00 H new ATOM 0 HG21 THR A 108 1.374 12.620 14.299 1.00 0.00 H new ATOM 0 HG22 THR A 108 -0.004 11.509 14.476 1.00 0.00 H new ATOM 0 HG23 THR A 108 0.245 12.380 12.944 1.00 0.00 H new ATOM 1759 N ALA A 109 -2.373 14.819 12.271 1.00 0.00 N ATOM 1760 CA ALA A 109 -2.555 15.150 10.866 1.00 0.00 C ATOM 1761 C ALA A 109 -1.258 14.968 10.087 1.00 0.00 C ATOM 1762 O ALA A 109 -1.277 14.727 8.890 1.00 0.00 O ATOM 1763 CB ALA A 109 -3.064 16.577 10.723 1.00 0.00 C ATOM 0 H ALA A 109 -2.409 15.621 12.900 1.00 0.00 H new ATOM 0 HA ALA A 109 -3.296 14.468 10.450 1.00 0.00 H new ATOM 0 HB1 ALA A 109 -3.196 16.812 9.667 1.00 0.00 H new ATOM 0 HB2 ALA A 109 -4.019 16.676 11.239 1.00 0.00 H new ATOM 0 HB3 ALA A 109 -2.342 17.266 11.161 1.00 0.00 H new ATOM 1769 N GLU A 110 -0.133 15.103 10.770 1.00 0.00 N ATOM 1770 CA GLU A 110 1.171 14.949 10.130 1.00 0.00 C ATOM 1771 C GLU A 110 1.217 13.730 9.202 1.00 0.00 C ATOM 1772 O GLU A 110 2.059 13.657 8.308 1.00 0.00 O ATOM 1773 CB GLU A 110 2.276 14.847 11.183 1.00 0.00 C ATOM 1774 CG GLU A 110 2.743 16.194 11.708 1.00 0.00 C ATOM 1775 CD GLU A 110 3.661 16.066 12.908 1.00 0.00 C ATOM 1776 OE1 GLU A 110 4.854 15.754 12.712 1.00 0.00 O ATOM 1777 OE2 GLU A 110 3.185 16.279 14.043 1.00 0.00 O ATOM 0 H GLU A 110 -0.092 15.319 11.766 1.00 0.00 H new ATOM 0 HA GLU A 110 1.336 15.836 9.519 1.00 0.00 H new ATOM 0 HB2 GLU A 110 1.916 14.246 12.018 1.00 0.00 H new ATOM 0 HB3 GLU A 110 3.127 14.319 10.754 1.00 0.00 H new ATOM 0 HG2 GLU A 110 3.263 16.729 10.913 1.00 0.00 H new ATOM 0 HG3 GLU A 110 1.875 16.794 11.982 1.00 0.00 H new ATOM 1784 N GLU A 111 0.326 12.770 9.422 1.00 0.00 N ATOM 1785 CA GLU A 111 0.286 11.586 8.584 1.00 0.00 C ATOM 1786 C GLU A 111 -0.628 11.801 7.377 1.00 0.00 C ATOM 1787 O GLU A 111 -0.184 11.741 6.233 1.00 0.00 O ATOM 1788 CB GLU A 111 -0.170 10.364 9.391 1.00 0.00 C ATOM 1789 CG GLU A 111 -0.764 9.262 8.537 1.00 0.00 C ATOM 1790 CD GLU A 111 -0.297 7.882 8.955 1.00 0.00 C ATOM 1791 OE1 GLU A 111 -0.159 7.644 10.173 1.00 0.00 O ATOM 1792 OE2 GLU A 111 -0.069 7.040 8.062 1.00 0.00 O ATOM 0 H GLU A 111 -0.370 12.791 10.167 1.00 0.00 H new ATOM 0 HA GLU A 111 1.296 11.400 8.218 1.00 0.00 H new ATOM 0 HB2 GLU A 111 0.681 9.966 9.944 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -0.909 10.680 10.127 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -1.851 9.307 8.598 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -0.496 9.431 7.494 1.00 0.00 H new ATOM 1799 N ALA A 112 -1.896 12.081 7.647 1.00 0.00 N ATOM 1800 CA ALA A 112 -2.884 12.274 6.586 1.00 0.00 C ATOM 1801 C ALA A 112 -2.811 13.653 5.922 1.00 0.00 C ATOM 1802 O ALA A 112 -3.082 13.781 4.728 1.00 0.00 O ATOM 1803 CB ALA A 112 -4.283 12.034 7.132 1.00 0.00 C ATOM 0 H ALA A 112 -2.268 12.180 8.592 1.00 0.00 H new ATOM 0 HA ALA A 112 -2.649 11.546 5.809 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -5.014 12.179 6.337 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -4.356 11.014 7.510 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -4.483 12.736 7.941 1.00 0.00 H new ATOM 1809 N LYS A 113 -2.450 14.678 6.683 1.00 0.00 N ATOM 1810 CA LYS A 113 -2.390 16.039 6.155 1.00 0.00 C ATOM 1811 C LYS A 113 -1.038 16.374 5.521 1.00 0.00 C ATOM 1812 O LYS A 113 -0.985 16.991 4.458 1.00 0.00 O ATOM 1813 CB LYS A 113 -2.699 17.046 7.264 1.00 0.00 C ATOM 1814 CG LYS A 113 -3.514 18.239 6.792 1.00 0.00 C ATOM 1815 CD LYS A 113 -3.863 19.167 7.945 1.00 0.00 C ATOM 1816 CE LYS A 113 -4.959 20.147 7.559 1.00 0.00 C ATOM 1817 NZ LYS A 113 -4.404 21.414 7.005 1.00 0.00 N ATOM 0 H LYS A 113 -2.194 14.595 7.667 1.00 0.00 H new ATOM 0 HA LYS A 113 -3.141 16.103 5.367 1.00 0.00 H new ATOM 0 HB2 LYS A 113 -3.241 16.539 8.063 1.00 0.00 H new ATOM 0 HB3 LYS A 113 -1.762 17.403 7.691 1.00 0.00 H new ATOM 0 HG2 LYS A 113 -2.952 18.790 6.038 1.00 0.00 H new ATOM 0 HG3 LYS A 113 -4.430 17.890 6.315 1.00 0.00 H new ATOM 0 HD2 LYS A 113 -4.186 18.577 8.803 1.00 0.00 H new ATOM 0 HD3 LYS A 113 -2.974 19.717 8.253 1.00 0.00 H new ATOM 0 HE2 LYS A 113 -5.615 19.685 6.821 1.00 0.00 H new ATOM 0 HE3 LYS A 113 -5.570 20.371 8.433 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 -5.184 22.054 6.755 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 -3.798 21.869 7.718 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 -3.842 21.205 6.156 1.00 0.00 H new ATOM 1831 N LYS A 114 0.048 15.968 6.170 1.00 0.00 N ATOM 1832 CA LYS A 114 1.385 16.267 5.666 1.00 0.00 C ATOM 1833 C LYS A 114 1.706 15.479 4.398 1.00 0.00 C ATOM 1834 O LYS A 114 2.418 15.970 3.522 1.00 0.00 O ATOM 1835 CB LYS A 114 2.428 15.975 6.741 1.00 0.00 C ATOM 1836 CG LYS A 114 3.452 17.085 6.909 1.00 0.00 C ATOM 1837 CD LYS A 114 4.775 16.726 6.252 1.00 0.00 C ATOM 1838 CE LYS A 114 5.947 17.389 6.959 1.00 0.00 C ATOM 1839 NZ LYS A 114 5.873 17.221 8.437 1.00 0.00 N ATOM 0 H LYS A 114 0.031 15.435 7.040 1.00 0.00 H new ATOM 0 HA LYS A 114 1.411 17.327 5.411 1.00 0.00 H new ATOM 0 HB2 LYS A 114 1.922 15.811 7.692 1.00 0.00 H new ATOM 0 HB3 LYS A 114 2.946 15.049 6.492 1.00 0.00 H new ATOM 0 HG2 LYS A 114 3.066 18.006 6.473 1.00 0.00 H new ATOM 0 HG3 LYS A 114 3.612 17.277 7.970 1.00 0.00 H new ATOM 0 HD2 LYS A 114 4.906 15.644 6.264 1.00 0.00 H new ATOM 0 HD3 LYS A 114 4.758 17.034 5.206 1.00 0.00 H new ATOM 0 HE2 LYS A 114 6.880 16.963 6.592 1.00 0.00 H new ATOM 0 HE3 LYS A 114 5.964 18.451 6.715 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 6.835 17.152 8.827 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 5.387 18.040 8.856 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 5.345 16.353 8.662 1.00 0.00 H new ATOM 1853 N PHE A 115 1.182 14.262 4.301 1.00 0.00 N ATOM 1854 CA PHE A 115 1.431 13.422 3.135 1.00 0.00 C ATOM 1855 C PHE A 115 0.548 13.829 1.959 1.00 0.00 C ATOM 1856 O PHE A 115 1.026 13.974 0.834 1.00 0.00 O ATOM 1857 CB PHE A 115 1.199 11.951 3.478 1.00 0.00 C ATOM 1858 CG PHE A 115 2.375 11.301 4.153 1.00 0.00 C ATOM 1859 CD1 PHE A 115 2.739 11.662 5.441 1.00 0.00 C ATOM 1860 CD2 PHE A 115 3.113 10.329 3.500 1.00 0.00 C ATOM 1861 CE1 PHE A 115 3.818 11.065 6.064 1.00 0.00 C ATOM 1862 CE2 PHE A 115 4.193 9.728 4.118 1.00 0.00 C ATOM 1863 CZ PHE A 115 4.547 10.096 5.401 1.00 0.00 C ATOM 0 H PHE A 115 0.586 13.837 5.011 1.00 0.00 H new ATOM 0 HA PHE A 115 2.472 13.560 2.843 1.00 0.00 H new ATOM 0 HB2 PHE A 115 0.327 11.870 4.127 1.00 0.00 H new ATOM 0 HB3 PHE A 115 0.967 11.405 2.564 1.00 0.00 H new ATOM 0 HD1 PHE A 115 2.173 12.419 5.963 1.00 0.00 H new ATOM 0 HD2 PHE A 115 2.842 10.037 2.496 1.00 0.00 H new ATOM 0 HE1 PHE A 115 4.091 11.355 7.068 1.00 0.00 H new ATOM 0 HE2 PHE A 115 4.760 8.970 3.598 1.00 0.00 H new ATOM 0 HZ PHE A 115 5.391 9.628 5.885 1.00 0.00 H new ATOM 1873 N LEU A 116 -0.742 14.015 2.225 1.00 0.00 N ATOM 1874 CA LEU A 116 -1.686 14.407 1.182 1.00 0.00 C ATOM 1875 C LEU A 116 -1.732 15.925 1.034 1.00 0.00 C ATOM 1876 O LEU A 116 -2.792 16.541 1.160 1.00 0.00 O ATOM 1877 CB LEU A 116 -3.082 13.866 1.496 1.00 0.00 C ATOM 1878 CG LEU A 116 -3.326 12.414 1.079 1.00 0.00 C ATOM 1879 CD1 LEU A 116 -3.724 11.572 2.281 1.00 0.00 C ATOM 1880 CD2 LEU A 116 -4.395 12.342 -0.001 1.00 0.00 C ATOM 0 H LEU A 116 -1.157 13.901 3.150 1.00 0.00 H new ATOM 0 HA LEU A 116 -1.346 13.979 0.239 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -3.256 13.953 2.569 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -3.819 14.498 1.001 1.00 0.00 H new ATOM 0 HG LEU A 116 -2.398 12.013 0.672 1.00 0.00 H new ATOM 0 HD11 LEU A 116 -3.893 10.543 1.964 1.00 0.00 H new ATOM 0 HD12 LEU A 116 -2.926 11.597 3.023 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -4.639 11.972 2.719 1.00 0.00 H new ATOM 0 HD21 LEU A 116 -4.555 11.302 -0.285 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -5.326 12.762 0.380 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -4.071 12.911 -0.873 1.00 0.00 H new ATOM 1892 N ALA A 117 -0.575 16.524 0.768 1.00 0.00 N ATOM 1893 CA ALA A 117 -0.481 17.969 0.602 1.00 0.00 C ATOM 1894 C ALA A 117 -0.588 18.360 -0.871 1.00 0.00 C ATOM 1895 O ALA A 117 -0.220 17.583 -1.752 1.00 0.00 O ATOM 1896 CB ALA A 117 0.825 18.482 1.192 1.00 0.00 C ATOM 0 H ALA A 117 0.311 16.030 0.663 1.00 0.00 H new ATOM 0 HA ALA A 117 -1.314 18.428 1.135 1.00 0.00 H new ATOM 0 HB1 ALA A 117 0.883 19.563 1.062 1.00 0.00 H new ATOM 0 HB2 ALA A 117 0.863 18.242 2.255 1.00 0.00 H new ATOM 0 HB3 ALA A 117 1.665 18.009 0.683 1.00 0.00 H new ATOM 1902 N PRO A 118 -1.096 19.573 -1.159 1.00 0.00 N ATOM 1903 CA PRO A 118 -1.246 20.058 -2.535 1.00 0.00 C ATOM 1904 C PRO A 118 0.097 20.349 -3.196 1.00 0.00 C ATOM 1905 O PRO A 118 1.148 20.234 -2.565 1.00 0.00 O ATOM 1906 CB PRO A 118 -2.053 21.348 -2.373 1.00 0.00 C ATOM 1907 CG PRO A 118 -1.753 21.811 -0.989 1.00 0.00 C ATOM 1908 CD PRO A 118 -1.562 20.565 -0.170 1.00 0.00 C ATOM 0 HA PRO A 118 -1.725 19.319 -3.177 1.00 0.00 H new ATOM 0 HB2 PRO A 118 -1.760 22.094 -3.112 1.00 0.00 H new ATOM 0 HB3 PRO A 118 -3.119 21.167 -2.508 1.00 0.00 H new ATOM 0 HG2 PRO A 118 -0.857 22.432 -0.970 1.00 0.00 H new ATOM 0 HG3 PRO A 118 -2.569 22.417 -0.594 1.00 0.00 H new ATOM 0 HD2 PRO A 118 -0.831 20.715 0.624 1.00 0.00 H new ATOM 0 HD3 PRO A 118 -2.491 20.251 0.307 1.00 0.00 H new ATOM 1916 N LYS A 119 0.054 20.726 -4.470 1.00 0.00 N ATOM 1917 CA LYS A 119 1.268 21.034 -5.218 1.00 0.00 C ATOM 1918 C LYS A 119 1.002 22.105 -6.271 1.00 0.00 C ATOM 1919 O LYS A 119 -0.070 22.141 -6.876 1.00 0.00 O ATOM 1920 CB LYS A 119 1.814 19.770 -5.887 1.00 0.00 C ATOM 1921 CG LYS A 119 3.107 19.265 -5.267 1.00 0.00 C ATOM 1922 CD LYS A 119 3.855 18.343 -6.216 1.00 0.00 C ATOM 1923 CE LYS A 119 4.874 17.491 -5.475 1.00 0.00 C ATOM 1924 NZ LYS A 119 5.486 16.462 -6.360 1.00 0.00 N ATOM 0 H LYS A 119 -0.808 20.826 -5.006 1.00 0.00 H new ATOM 0 HA LYS A 119 2.010 21.416 -4.517 1.00 0.00 H new ATOM 0 HB2 LYS A 119 1.061 18.984 -5.829 1.00 0.00 H new ATOM 0 HB3 LYS A 119 1.982 19.972 -6.945 1.00 0.00 H new ATOM 0 HG2 LYS A 119 3.741 20.112 -5.005 1.00 0.00 H new ATOM 0 HG3 LYS A 119 2.885 18.734 -4.341 1.00 0.00 H new ATOM 0 HD2 LYS A 119 3.145 17.697 -6.733 1.00 0.00 H new ATOM 0 HD3 LYS A 119 4.360 18.936 -6.979 1.00 0.00 H new ATOM 0 HE2 LYS A 119 5.656 18.132 -5.069 1.00 0.00 H new ATOM 0 HE3 LYS A 119 4.391 17.002 -4.629 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 6.175 15.903 -5.817 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 4.743 15.834 -6.728 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 5.969 16.929 -7.154 1.00 0.00 H new ATOM 1938 N ASP A 120 1.985 22.976 -6.482 1.00 0.00 N ATOM 1939 CA ASP A 120 1.862 24.053 -7.461 1.00 0.00 C ATOM 1940 C ASP A 120 0.630 24.906 -7.182 1.00 0.00 C ATOM 1941 O ASP A 120 0.655 26.126 -7.349 1.00 0.00 O ATOM 1942 CB ASP A 120 1.792 23.479 -8.877 1.00 0.00 C ATOM 1943 CG ASP A 120 3.150 23.423 -9.547 1.00 0.00 C ATOM 1944 OD1 ASP A 120 3.637 24.482 -9.994 1.00 0.00 O ATOM 1945 OD2 ASP A 120 3.728 22.318 -9.624 1.00 0.00 O ATOM 0 H ASP A 120 2.877 22.957 -5.988 1.00 0.00 H new ATOM 0 HA ASP A 120 2.745 24.687 -7.378 1.00 0.00 H new ATOM 0 HB2 ASP A 120 1.368 22.476 -8.839 1.00 0.00 H new ATOM 0 HB3 ASP A 120 1.118 24.088 -9.480 1.00 0.00 H new TER 1950 ASP A 120