USER MOD reduce.3.24.130724 H: found=0, std=0, add=874, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 874 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 26 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 39 THR OG1 : rot -150:sc= 1.35 USER MOD Set 2.1: A 28 GLN : amide:sc= 0.99 K(o=2.4,f=0.54) USER MOD Set 2.2: A 37 ASN : amide:sc= 1.41 K(o=2.4,f=-0.68) USER MOD Set 3.1: A 5 THR OG1 : rot 16:sc= 0.436 USER MOD Set 3.2: A 63 LYS NZ :NH3+ -150:sc= 0.156 (180deg=0.00903) USER MOD Single : A 1 GLU N :NH3+ -179:sc= 0.889 (180deg=0.887) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 6 THR OG1 : rot -44:sc= 0.344 USER MOD Single : A 7 LYS NZ :NH3+ -168:sc= 0.0183 (180deg=0.00719) USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 ASN : amide:sc= 0 X(o=0,f=-0.025) USER MOD Single : A 12 ASN : amide:sc= -0.201 K(o=-0.2,f=-2.3!) USER MOD Single : A 19 ASN : amide:sc= 0.994 K(o=0.99,f=-0.41) USER MOD Single : A 24 ASN : amide:sc= 1.08 K(o=1.1,f=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ -174:sc= 0.712 (180deg=0.698) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 ASN : amide:sc= 1.19 K(o=1.2,f=0) USER MOD Single : A 59 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.000776) USER MOD Single : A 61 ASN : amide:sc= 0.388 K(o=0.39,f=-4.6!) USER MOD Single : A 64 GLN : amide:sc= 0.388 K(o=0.39,f=-0.35) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ -169:sc= 1.03 (180deg=0.957) USER MOD Single : A 73 LYS NZ :NH3+ -148:sc= 0.431 (180deg=-0.169) USER MOD Single : A 74 HIS : no HE2:sc= 0.606 K(o=0.61,f=-5!) USER MOD Single : A 77 ASN : amide:sc= 1.42 K(o=1.4,f=-0.44) USER MOD Single : A 78 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 79 LYS NZ :NH3+ -139:sc= 0.941 (180deg=0.126) USER MOD Single : A 85 GLN : amide:sc= -0.456 K(o=-0.46,f=-2.7) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 TYR OH : rot -155:sc= 0.166 USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 SER OG : rot 69:sc= 0.925 USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 TYR OH : rot 180:sc= -0.152 USER MOD Single : A 105 LYS NZ :NH3+ 164:sc= 1.23 (180deg=1.13) USER MOD Single : A 108 HIS : no HE2:sc= 1.08 K(o=1.1,f=-3.3!) USER MOD Single : A 109 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 -19.679 -10.387 7.357 1.00 0.00 N ATOM 2 CA GLU A 1 -19.166 -9.316 6.457 1.00 0.00 C ATOM 3 C GLU A 1 -17.642 -9.188 6.575 1.00 0.00 C ATOM 4 O GLU A 1 -16.918 -9.285 5.585 1.00 0.00 O ATOM 5 CB GLU A 1 -19.841 -7.956 6.729 1.00 0.00 C ATOM 6 CG GLU A 1 -21.331 -7.950 6.366 1.00 0.00 C ATOM 7 CD GLU A 1 -21.953 -6.562 6.612 1.00 0.00 C ATOM 8 OE1 GLU A 1 -21.930 -5.711 5.691 1.00 0.00 O ATOM 9 OE2 GLU A 1 -22.475 -6.318 7.727 1.00 0.00 O ATOM 0 H1 GLU A 1 -20.710 -10.468 7.248 1.00 0.00 H new ATOM 0 H2 GLU A 1 -19.233 -11.293 7.108 1.00 0.00 H new ATOM 0 H3 GLU A 1 -19.453 -10.149 8.344 1.00 0.00 H new ATOM 0 HA GLU A 1 -19.418 -9.609 5.438 1.00 0.00 H new ATOM 0 HB2 GLU A 1 -19.727 -7.703 7.783 1.00 0.00 H new ATOM 0 HB3 GLU A 1 -19.329 -7.181 6.158 1.00 0.00 H new ATOM 0 HG2 GLU A 1 -21.455 -8.228 5.319 1.00 0.00 H new ATOM 0 HG3 GLU A 1 -21.857 -8.698 6.959 1.00 0.00 H new ATOM 18 N GLU A 2 -17.157 -8.976 7.798 1.00 0.00 N ATOM 19 CA GLU A 2 -15.754 -9.009 8.220 1.00 0.00 C ATOM 20 C GLU A 2 -15.055 -10.381 8.039 1.00 0.00 C ATOM 21 O GLU A 2 -15.692 -11.402 7.761 1.00 0.00 O ATOM 22 CB GLU A 2 -15.682 -8.538 9.692 1.00 0.00 C ATOM 23 CG GLU A 2 -16.396 -9.435 10.730 1.00 0.00 C ATOM 24 CD GLU A 2 -17.914 -9.167 10.847 1.00 0.00 C ATOM 25 OE1 GLU A 2 -18.692 -9.640 9.978 1.00 0.00 O ATOM 26 OE2 GLU A 2 -18.340 -8.473 11.801 1.00 0.00 O ATOM 0 H GLU A 2 -17.778 -8.761 8.578 1.00 0.00 H new ATOM 0 HA GLU A 2 -15.201 -8.338 7.563 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -14.633 -8.455 9.975 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -16.109 -7.537 9.753 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -16.241 -10.480 10.461 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -15.934 -9.285 11.706 1.00 0.00 H new ATOM 33 N LYS A 3 -13.734 -10.399 8.267 1.00 0.00 N ATOM 34 CA LYS A 3 -12.859 -11.587 8.328 1.00 0.00 C ATOM 35 C LYS A 3 -11.920 -11.476 9.535 1.00 0.00 C ATOM 36 O LYS A 3 -11.485 -10.376 9.880 1.00 0.00 O ATOM 37 CB LYS A 3 -12.025 -11.702 7.037 1.00 0.00 C ATOM 38 CG LYS A 3 -12.837 -12.153 5.813 1.00 0.00 C ATOM 39 CD LYS A 3 -11.935 -12.196 4.569 1.00 0.00 C ATOM 40 CE LYS A 3 -12.658 -12.743 3.330 1.00 0.00 C ATOM 41 NZ LYS A 3 -12.804 -14.223 3.369 1.00 0.00 N ATOM 0 H LYS A 3 -13.213 -9.536 8.423 1.00 0.00 H new ATOM 0 HA LYS A 3 -13.481 -12.476 8.430 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -11.569 -10.736 6.823 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -11.212 -12.409 7.202 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -13.267 -13.138 5.995 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -13.668 -11.468 5.646 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -11.568 -11.192 4.357 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -11.063 -12.816 4.779 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -13.644 -12.285 3.256 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -12.106 -12.458 2.434 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -13.298 -14.546 2.512 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -11.863 -14.664 3.413 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -13.354 -14.496 4.209 1.00 0.00 H new ATOM 55 N TYR A 4 -11.604 -12.608 10.166 1.00 0.00 N ATOM 56 CA TYR A 4 -10.819 -12.656 11.408 1.00 0.00 C ATOM 57 C TYR A 4 -9.339 -12.296 11.193 1.00 0.00 C ATOM 58 O TYR A 4 -8.844 -11.356 11.814 1.00 0.00 O ATOM 59 CB TYR A 4 -10.967 -14.043 12.055 1.00 0.00 C ATOM 60 CG TYR A 4 -12.392 -14.374 12.462 1.00 0.00 C ATOM 61 CD1 TYR A 4 -12.903 -13.885 13.680 1.00 0.00 C ATOM 62 CD2 TYR A 4 -13.214 -15.145 11.615 1.00 0.00 C ATOM 63 CE1 TYR A 4 -14.232 -14.163 14.055 1.00 0.00 C ATOM 64 CE2 TYR A 4 -14.547 -15.415 11.982 1.00 0.00 C ATOM 65 CZ TYR A 4 -15.060 -14.928 13.204 1.00 0.00 C ATOM 66 OH TYR A 4 -16.348 -15.201 13.553 1.00 0.00 O ATOM 0 H TYR A 4 -11.887 -13.528 9.829 1.00 0.00 H new ATOM 0 HA TYR A 4 -11.216 -11.897 12.082 1.00 0.00 H new ATOM 0 HB2 TYR A 4 -10.612 -14.801 11.356 1.00 0.00 H new ATOM 0 HB3 TYR A 4 -10.325 -14.095 12.935 1.00 0.00 H new ATOM 0 HD1 TYR A 4 -12.273 -13.295 14.329 1.00 0.00 H new ATOM 0 HD2 TYR A 4 -12.822 -15.529 10.685 1.00 0.00 H new ATOM 0 HE1 TYR A 4 -14.618 -13.791 14.993 1.00 0.00 H new ATOM 0 HE2 TYR A 4 -15.179 -15.996 11.327 1.00 0.00 H new ATOM 0 HH TYR A 4 -16.771 -15.737 12.850 1.00 0.00 H new ATOM 76 N THR A 5 -8.634 -13.024 10.315 1.00 0.00 N ATOM 77 CA THR A 5 -7.250 -12.743 9.872 1.00 0.00 C ATOM 78 C THR A 5 -7.028 -13.230 8.433 1.00 0.00 C ATOM 79 O THR A 5 -7.548 -14.270 8.031 1.00 0.00 O ATOM 80 CB THR A 5 -6.228 -13.343 10.863 1.00 0.00 C ATOM 81 OG1 THR A 5 -6.239 -12.590 12.058 1.00 0.00 O ATOM 82 CG2 THR A 5 -4.772 -13.311 10.405 1.00 0.00 C ATOM 0 H THR A 5 -9.022 -13.858 9.874 1.00 0.00 H new ATOM 0 HA THR A 5 -7.095 -11.664 9.868 1.00 0.00 H new ATOM 0 HB THR A 5 -6.541 -14.382 10.968 1.00 0.00 H new ATOM 0 HG1 THR A 5 -7.046 -12.035 12.088 1.00 0.00 H new ATOM 0 HG21 THR A 5 -4.139 -13.756 11.173 1.00 0.00 H new ATOM 0 HG22 THR A 5 -4.670 -13.876 9.478 1.00 0.00 H new ATOM 0 HG23 THR A 5 -4.466 -12.278 10.236 1.00 0.00 H new ATOM 90 N THR A 6 -6.242 -12.483 7.651 1.00 0.00 N ATOM 91 CA THR A 6 -6.008 -12.674 6.200 1.00 0.00 C ATOM 92 C THR A 6 -5.017 -13.808 5.851 1.00 0.00 C ATOM 93 O THR A 6 -4.293 -13.740 4.854 1.00 0.00 O ATOM 94 CB THR A 6 -5.639 -11.313 5.568 1.00 0.00 C ATOM 95 OG1 THR A 6 -5.668 -11.367 4.161 1.00 0.00 O ATOM 96 CG2 THR A 6 -4.284 -10.740 6.000 1.00 0.00 C ATOM 0 H THR A 6 -5.722 -11.688 8.022 1.00 0.00 H new ATOM 0 HA THR A 6 -6.938 -13.030 5.757 1.00 0.00 H new ATOM 0 HB THR A 6 -6.408 -10.641 5.948 1.00 0.00 H new ATOM 0 HG1 THR A 6 -5.231 -12.190 3.856 1.00 0.00 H new ATOM 0 HG21 THR A 6 -4.118 -9.785 5.502 1.00 0.00 H new ATOM 0 HG22 THR A 6 -4.279 -10.592 7.080 1.00 0.00 H new ATOM 0 HG23 THR A 6 -3.491 -11.435 5.725 1.00 0.00 H new ATOM 104 N LYS A 7 -4.957 -14.860 6.678 1.00 0.00 N ATOM 105 CA LYS A 7 -4.063 -16.019 6.505 1.00 0.00 C ATOM 106 C LYS A 7 -4.373 -16.837 5.243 1.00 0.00 C ATOM 107 O LYS A 7 -5.396 -17.516 5.163 1.00 0.00 O ATOM 108 CB LYS A 7 -4.003 -16.893 7.780 1.00 0.00 C ATOM 109 CG LYS A 7 -5.278 -17.053 8.646 1.00 0.00 C ATOM 110 CD LYS A 7 -6.538 -17.603 7.963 1.00 0.00 C ATOM 111 CE LYS A 7 -6.354 -19.058 7.509 1.00 0.00 C ATOM 112 NZ LYS A 7 -7.376 -19.437 6.501 1.00 0.00 N ATOM 0 H LYS A 7 -5.544 -14.933 7.509 1.00 0.00 H new ATOM 0 HA LYS A 7 -3.063 -15.614 6.349 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -3.683 -17.891 7.479 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -3.220 -16.486 8.420 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -5.036 -17.709 9.482 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -5.523 -16.078 9.067 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -7.381 -17.541 8.652 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -6.784 -16.982 7.102 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -5.357 -19.187 7.087 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -6.424 -19.723 8.370 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -7.361 -20.468 6.362 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -8.317 -19.146 6.835 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -7.167 -18.963 5.599 1.00 0.00 H new ATOM 126 N TYR A 8 -3.449 -16.840 4.287 1.00 0.00 N ATOM 127 CA TYR A 8 -3.492 -17.699 3.097 1.00 0.00 C ATOM 128 C TYR A 8 -2.071 -18.157 2.746 1.00 0.00 C ATOM 129 O TYR A 8 -1.148 -17.345 2.758 1.00 0.00 O ATOM 130 CB TYR A 8 -4.128 -16.943 1.918 1.00 0.00 C ATOM 131 CG TYR A 8 -5.519 -16.379 2.181 1.00 0.00 C ATOM 132 CD1 TYR A 8 -6.631 -17.238 2.306 1.00 0.00 C ATOM 133 CD2 TYR A 8 -5.697 -14.990 2.327 1.00 0.00 C ATOM 134 CE1 TYR A 8 -7.911 -16.709 2.572 1.00 0.00 C ATOM 135 CE2 TYR A 8 -6.971 -14.455 2.596 1.00 0.00 C ATOM 136 CZ TYR A 8 -8.085 -15.314 2.718 1.00 0.00 C ATOM 137 OH TYR A 8 -9.323 -14.802 2.975 1.00 0.00 O ATOM 0 H TYR A 8 -2.629 -16.234 4.314 1.00 0.00 H new ATOM 0 HA TYR A 8 -4.104 -18.577 3.306 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -3.468 -16.122 1.636 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -4.183 -17.617 1.063 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -6.502 -18.305 2.198 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -4.848 -14.329 2.232 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -8.759 -17.371 2.664 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -7.096 -13.388 2.709 1.00 0.00 H new ATOM 0 HH TYR A 8 -9.265 -13.826 3.047 1.00 0.00 H new ATOM 147 N ASP A 9 -1.887 -19.452 2.458 1.00 0.00 N ATOM 148 CA ASP A 9 -0.588 -20.096 2.167 1.00 0.00 C ATOM 149 C ASP A 9 0.554 -19.722 3.149 1.00 0.00 C ATOM 150 O ASP A 9 1.713 -19.562 2.754 1.00 0.00 O ATOM 151 CB ASP A 9 -0.222 -19.886 0.684 1.00 0.00 C ATOM 152 CG ASP A 9 -1.256 -20.513 -0.265 1.00 0.00 C ATOM 153 OD1 ASP A 9 -1.383 -21.762 -0.282 1.00 0.00 O ATOM 154 OD2 ASP A 9 -1.936 -19.768 -1.011 1.00 0.00 O ATOM 0 H ASP A 9 -2.665 -20.110 2.418 1.00 0.00 H new ATOM 0 HA ASP A 9 -0.713 -21.165 2.341 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -0.144 -18.818 0.479 1.00 0.00 H new ATOM 0 HB3 ASP A 9 0.758 -20.321 0.489 1.00 0.00 H new ATOM 159 N ASN A 10 0.226 -19.587 4.442 1.00 0.00 N ATOM 160 CA ASN A 10 1.120 -19.133 5.523 1.00 0.00 C ATOM 161 C ASN A 10 1.745 -17.745 5.285 1.00 0.00 C ATOM 162 O ASN A 10 2.954 -17.545 5.438 1.00 0.00 O ATOM 163 CB ASN A 10 2.128 -20.241 5.896 1.00 0.00 C ATOM 164 CG ASN A 10 1.463 -21.544 6.312 1.00 0.00 C ATOM 165 OD1 ASN A 10 0.557 -21.577 7.135 1.00 0.00 O ATOM 166 ND2 ASN A 10 1.884 -22.662 5.764 1.00 0.00 N ATOM 0 H ASN A 10 -0.712 -19.800 4.781 1.00 0.00 H new ATOM 0 HA ASN A 10 0.503 -18.963 6.405 1.00 0.00 H new ATOM 0 HB2 ASN A 10 2.781 -20.430 5.044 1.00 0.00 H new ATOM 0 HB3 ASN A 10 2.761 -19.888 6.710 1.00 0.00 H new ATOM 0 HD21 ASN A 10 1.456 -23.550 6.025 1.00 0.00 H new ATOM 0 HD22 ASN A 10 2.638 -22.641 5.078 1.00 0.00 H new ATOM 173 N VAL A 11 0.894 -16.768 4.949 1.00 0.00 N ATOM 174 CA VAL A 11 1.258 -15.350 4.775 1.00 0.00 C ATOM 175 C VAL A 11 0.177 -14.447 5.373 1.00 0.00 C ATOM 176 O VAL A 11 -1.005 -14.793 5.364 1.00 0.00 O ATOM 177 CB VAL A 11 1.475 -14.972 3.288 1.00 0.00 C ATOM 178 CG1 VAL A 11 2.453 -13.795 3.203 1.00 0.00 C ATOM 179 CG2 VAL A 11 2.055 -16.086 2.409 1.00 0.00 C ATOM 0 H VAL A 11 -0.097 -16.944 4.785 1.00 0.00 H new ATOM 0 HA VAL A 11 2.202 -15.202 5.299 1.00 0.00 H new ATOM 0 HB VAL A 11 0.478 -14.741 2.912 1.00 0.00 H new ATOM 0 HG11 VAL A 11 2.608 -13.526 2.158 1.00 0.00 H new ATOM 0 HG12 VAL A 11 2.042 -12.941 3.740 1.00 0.00 H new ATOM 0 HG13 VAL A 11 3.405 -14.080 3.650 1.00 0.00 H new ATOM 0 HG21 VAL A 11 2.169 -15.722 1.388 1.00 0.00 H new ATOM 0 HG22 VAL A 11 3.028 -16.387 2.797 1.00 0.00 H new ATOM 0 HG23 VAL A 11 1.381 -16.943 2.416 1.00 0.00 H new ATOM 189 N ASN A 12 0.589 -13.284 5.881 1.00 0.00 N ATOM 190 CA ASN A 12 -0.270 -12.250 6.459 1.00 0.00 C ATOM 191 C ASN A 12 0.300 -10.846 6.231 1.00 0.00 C ATOM 192 O ASN A 12 1.460 -10.676 5.852 1.00 0.00 O ATOM 193 CB ASN A 12 -0.406 -12.490 7.974 1.00 0.00 C ATOM 194 CG ASN A 12 -1.589 -13.368 8.316 1.00 0.00 C ATOM 195 OD1 ASN A 12 -2.719 -13.070 7.966 1.00 0.00 O ATOM 196 ND2 ASN A 12 -1.385 -14.441 9.041 1.00 0.00 N ATOM 0 H ASN A 12 1.576 -13.026 5.901 1.00 0.00 H new ATOM 0 HA ASN A 12 -1.241 -12.310 5.968 1.00 0.00 H new ATOM 0 HB2 ASN A 12 0.507 -12.953 8.349 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -0.509 -11.532 8.483 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -2.172 -15.029 9.314 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -0.439 -14.688 9.332 1.00 0.00 H new ATOM 203 N LEU A 13 -0.508 -9.833 6.554 1.00 0.00 N ATOM 204 CA LEU A 13 -0.132 -8.420 6.483 1.00 0.00 C ATOM 205 C LEU A 13 1.145 -8.060 7.249 1.00 0.00 C ATOM 206 O LEU A 13 1.948 -7.280 6.753 1.00 0.00 O ATOM 207 CB LEU A 13 -1.303 -7.559 6.991 1.00 0.00 C ATOM 208 CG LEU A 13 -1.981 -6.766 5.871 1.00 0.00 C ATOM 209 CD1 LEU A 13 -3.103 -5.930 6.498 1.00 0.00 C ATOM 210 CD2 LEU A 13 -1.013 -5.805 5.188 1.00 0.00 C ATOM 0 H LEU A 13 -1.464 -9.977 6.880 1.00 0.00 H new ATOM 0 HA LEU A 13 0.087 -8.216 5.435 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -2.039 -8.202 7.473 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -0.938 -6.868 7.751 1.00 0.00 H new ATOM 0 HG LEU A 13 -2.352 -7.471 5.127 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -3.605 -5.353 5.721 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -3.823 -6.591 6.981 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -2.680 -5.251 7.238 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -1.535 -5.262 4.400 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -0.625 -5.097 5.921 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -0.186 -6.368 4.755 1.00 0.00 H new ATOM 222 N ASP A 14 1.373 -8.640 8.426 1.00 0.00 N ATOM 223 CA ASP A 14 2.602 -8.387 9.191 1.00 0.00 C ATOM 224 C ASP A 14 3.863 -8.743 8.390 1.00 0.00 C ATOM 225 O ASP A 14 4.831 -7.987 8.384 1.00 0.00 O ATOM 226 CB ASP A 14 2.552 -9.194 10.485 1.00 0.00 C ATOM 227 CG ASP A 14 3.684 -8.807 11.452 1.00 0.00 C ATOM 228 OD1 ASP A 14 3.632 -7.693 12.027 1.00 0.00 O ATOM 229 OD2 ASP A 14 4.610 -9.625 11.662 1.00 0.00 O ATOM 0 H ASP A 14 0.726 -9.289 8.874 1.00 0.00 H new ATOM 0 HA ASP A 14 2.657 -7.321 9.413 1.00 0.00 H new ATOM 0 HB2 ASP A 14 1.590 -9.037 10.973 1.00 0.00 H new ATOM 0 HB3 ASP A 14 2.622 -10.257 10.252 1.00 0.00 H new ATOM 234 N GLU A 15 3.817 -9.851 7.645 1.00 0.00 N ATOM 235 CA GLU A 15 4.894 -10.275 6.749 1.00 0.00 C ATOM 236 C GLU A 15 5.018 -9.343 5.530 1.00 0.00 C ATOM 237 O GLU A 15 6.120 -9.139 5.042 1.00 0.00 O ATOM 238 CB GLU A 15 4.659 -11.736 6.321 1.00 0.00 C ATOM 239 CG GLU A 15 5.888 -12.408 5.684 1.00 0.00 C ATOM 240 CD GLU A 15 7.086 -12.629 6.629 1.00 0.00 C ATOM 241 OE1 GLU A 15 6.903 -12.783 7.862 1.00 0.00 O ATOM 242 OE2 GLU A 15 8.234 -12.681 6.121 1.00 0.00 O ATOM 0 H GLU A 15 3.019 -10.487 7.648 1.00 0.00 H new ATOM 0 HA GLU A 15 5.841 -10.212 7.285 1.00 0.00 H new ATOM 0 HB2 GLU A 15 4.353 -12.314 7.193 1.00 0.00 H new ATOM 0 HB3 GLU A 15 3.832 -11.767 5.611 1.00 0.00 H new ATOM 0 HG2 GLU A 15 5.584 -13.373 5.279 1.00 0.00 H new ATOM 0 HG3 GLU A 15 6.218 -11.799 4.843 1.00 0.00 H new ATOM 249 N ILE A 16 3.927 -8.724 5.063 1.00 0.00 N ATOM 250 CA ILE A 16 3.931 -7.799 3.903 1.00 0.00 C ATOM 251 C ILE A 16 4.852 -6.603 4.154 1.00 0.00 C ATOM 252 O ILE A 16 5.819 -6.402 3.421 1.00 0.00 O ATOM 253 CB ILE A 16 2.478 -7.422 3.479 1.00 0.00 C ATOM 254 CG1 ILE A 16 1.765 -8.648 2.871 1.00 0.00 C ATOM 255 CG2 ILE A 16 2.347 -6.240 2.512 1.00 0.00 C ATOM 256 CD1 ILE A 16 2.415 -9.167 1.572 1.00 0.00 C ATOM 0 H ILE A 16 3.003 -8.847 5.478 1.00 0.00 H new ATOM 0 HA ILE A 16 4.357 -8.311 3.040 1.00 0.00 H new ATOM 0 HB ILE A 16 2.006 -7.096 4.406 1.00 0.00 H new ATOM 0 HG12 ILE A 16 1.754 -9.452 3.607 1.00 0.00 H new ATOM 0 HG13 ILE A 16 0.726 -8.388 2.668 1.00 0.00 H new ATOM 0 HG21 ILE A 16 1.294 -6.069 2.287 1.00 0.00 H new ATOM 0 HG22 ILE A 16 2.770 -5.346 2.970 1.00 0.00 H new ATOM 0 HG23 ILE A 16 2.883 -6.463 1.590 1.00 0.00 H new ATOM 0 HD11 ILE A 16 1.858 -10.029 1.206 1.00 0.00 H new ATOM 0 HD12 ILE A 16 2.402 -8.379 0.819 1.00 0.00 H new ATOM 0 HD13 ILE A 16 3.446 -9.460 1.773 1.00 0.00 H new ATOM 268 N LEU A 17 4.637 -5.868 5.241 1.00 0.00 N ATOM 269 CA LEU A 17 5.493 -4.740 5.637 1.00 0.00 C ATOM 270 C LEU A 17 6.869 -5.223 6.134 1.00 0.00 C ATOM 271 O LEU A 17 7.873 -4.555 5.879 1.00 0.00 O ATOM 272 CB LEU A 17 4.831 -3.865 6.728 1.00 0.00 C ATOM 273 CG LEU A 17 3.627 -4.473 7.468 1.00 0.00 C ATOM 274 CD1 LEU A 17 3.339 -3.721 8.756 1.00 0.00 C ATOM 275 CD2 LEU A 17 2.365 -4.310 6.629 1.00 0.00 C ATOM 0 H LEU A 17 3.860 -6.035 5.880 1.00 0.00 H new ATOM 0 HA LEU A 17 5.631 -4.132 4.743 1.00 0.00 H new ATOM 0 HB2 LEU A 17 5.591 -3.611 7.467 1.00 0.00 H new ATOM 0 HB3 LEU A 17 4.510 -2.931 6.266 1.00 0.00 H new ATOM 0 HG LEU A 17 3.873 -5.517 7.660 1.00 0.00 H new ATOM 0 HD11 LEU A 17 2.483 -4.173 9.258 1.00 0.00 H new ATOM 0 HD12 LEU A 17 4.210 -3.771 9.409 1.00 0.00 H new ATOM 0 HD13 LEU A 17 3.117 -2.679 8.527 1.00 0.00 H new ATOM 0 HD21 LEU A 17 1.517 -4.743 7.160 1.00 0.00 H new ATOM 0 HD22 LEU A 17 2.180 -3.250 6.452 1.00 0.00 H new ATOM 0 HD23 LEU A 17 2.494 -4.820 5.674 1.00 0.00 H new ATOM 287 N ALA A 18 6.935 -6.360 6.844 1.00 0.00 N ATOM 288 CA ALA A 18 8.194 -6.885 7.380 1.00 0.00 C ATOM 289 C ALA A 18 9.130 -7.459 6.293 1.00 0.00 C ATOM 290 O ALA A 18 10.343 -7.534 6.503 1.00 0.00 O ATOM 291 CB ALA A 18 7.887 -7.958 8.429 1.00 0.00 C ATOM 0 H ALA A 18 6.121 -6.936 7.060 1.00 0.00 H new ATOM 0 HA ALA A 18 8.726 -6.047 7.831 1.00 0.00 H new ATOM 0 HB1 ALA A 18 8.821 -8.352 8.831 1.00 0.00 H new ATOM 0 HB2 ALA A 18 7.301 -7.520 9.237 1.00 0.00 H new ATOM 0 HB3 ALA A 18 7.321 -8.767 7.967 1.00 0.00 H new ATOM 297 N ASN A 19 8.580 -7.844 5.136 1.00 0.00 N ATOM 298 CA ASN A 19 9.282 -8.480 4.028 1.00 0.00 C ATOM 299 C ASN A 19 9.099 -7.677 2.737 1.00 0.00 C ATOM 300 O ASN A 19 8.199 -7.922 1.930 1.00 0.00 O ATOM 301 CB ASN A 19 8.877 -9.961 3.880 1.00 0.00 C ATOM 302 CG ASN A 19 10.082 -10.835 3.579 1.00 0.00 C ATOM 303 OD1 ASN A 19 11.005 -10.446 2.877 1.00 0.00 O ATOM 304 ND2 ASN A 19 10.127 -12.033 4.105 1.00 0.00 N ATOM 0 H ASN A 19 7.587 -7.712 4.943 1.00 0.00 H new ATOM 0 HA ASN A 19 10.349 -8.481 4.249 1.00 0.00 H new ATOM 0 HB2 ASN A 19 8.397 -10.303 4.797 1.00 0.00 H new ATOM 0 HB3 ASN A 19 8.143 -10.061 3.080 1.00 0.00 H new ATOM 0 HD21 ASN A 19 10.929 -12.638 3.929 1.00 0.00 H new ATOM 0 HD22 ASN A 19 9.360 -12.362 4.691 1.00 0.00 H new ATOM 311 N ASP A 20 9.991 -6.712 2.517 1.00 0.00 N ATOM 312 CA ASP A 20 10.038 -5.913 1.291 1.00 0.00 C ATOM 313 C ASP A 20 10.085 -6.756 0.002 1.00 0.00 C ATOM 314 O ASP A 20 9.633 -6.285 -1.040 1.00 0.00 O ATOM 315 CB ASP A 20 11.223 -4.944 1.341 1.00 0.00 C ATOM 316 CG ASP A 20 12.590 -5.651 1.314 1.00 0.00 C ATOM 317 OD1 ASP A 20 13.048 -6.120 2.383 1.00 0.00 O ATOM 318 OD2 ASP A 20 13.203 -5.738 0.225 1.00 0.00 O ATOM 0 H ASP A 20 10.711 -6.459 3.194 1.00 0.00 H new ATOM 0 HA ASP A 20 9.102 -5.355 1.250 1.00 0.00 H new ATOM 0 HB2 ASP A 20 11.159 -4.259 0.495 1.00 0.00 H new ATOM 0 HB3 ASP A 20 11.152 -4.340 2.246 1.00 0.00 H new ATOM 323 N ARG A 21 10.572 -8.004 0.070 1.00 0.00 N ATOM 324 CA ARG A 21 10.500 -8.993 -1.026 1.00 0.00 C ATOM 325 C ARG A 21 9.076 -9.183 -1.569 1.00 0.00 C ATOM 326 O ARG A 21 8.876 -9.287 -2.778 1.00 0.00 O ATOM 327 CB ARG A 21 11.158 -10.326 -0.604 1.00 0.00 C ATOM 328 CG ARG A 21 10.208 -11.424 -0.096 1.00 0.00 C ATOM 329 CD ARG A 21 10.987 -12.667 0.339 1.00 0.00 C ATOM 330 NE ARG A 21 11.401 -13.494 -0.815 1.00 0.00 N ATOM 331 CZ ARG A 21 11.853 -14.735 -0.772 1.00 0.00 C ATOM 332 NH1 ARG A 21 12.029 -15.375 0.351 1.00 0.00 N ATOM 333 NH2 ARG A 21 12.141 -15.368 -1.873 1.00 0.00 N ATOM 0 H ARG A 21 11.037 -8.365 0.903 1.00 0.00 H new ATOM 0 HA ARG A 21 11.073 -8.592 -1.862 1.00 0.00 H new ATOM 0 HB2 ARG A 21 11.711 -10.720 -1.457 1.00 0.00 H new ATOM 0 HB3 ARG A 21 11.887 -10.115 0.179 1.00 0.00 H new ATOM 0 HG2 ARG A 21 9.624 -11.045 0.743 1.00 0.00 H new ATOM 0 HG3 ARG A 21 9.501 -11.690 -0.882 1.00 0.00 H new ATOM 0 HD2 ARG A 21 11.869 -12.363 0.902 1.00 0.00 H new ATOM 0 HD3 ARG A 21 10.370 -13.265 1.011 1.00 0.00 H new ATOM 0 HE ARG A 21 11.331 -13.063 -1.737 1.00 0.00 H new ATOM 0 HH11 ARG A 21 11.816 -14.918 1.237 1.00 0.00 H new ATOM 0 HH12 ARG A 21 12.380 -16.333 0.343 1.00 0.00 H new ATOM 0 HH21 ARG A 21 12.018 -14.906 -2.774 1.00 0.00 H new ATOM 0 HH22 ARG A 21 12.490 -16.326 -1.834 1.00 0.00 H new ATOM 347 N LEU A 22 8.096 -9.203 -0.662 1.00 0.00 N ATOM 348 CA LEU A 22 6.664 -9.263 -0.969 1.00 0.00 C ATOM 349 C LEU A 22 6.156 -7.870 -1.346 1.00 0.00 C ATOM 350 O LEU A 22 5.466 -7.710 -2.352 1.00 0.00 O ATOM 351 CB LEU A 22 5.869 -9.763 0.256 1.00 0.00 C ATOM 352 CG LEU A 22 6.381 -11.058 0.903 1.00 0.00 C ATOM 353 CD1 LEU A 22 5.690 -11.307 2.236 1.00 0.00 C ATOM 354 CD2 LEU A 22 6.135 -12.281 0.037 1.00 0.00 C ATOM 0 H LEU A 22 8.284 -9.177 0.340 1.00 0.00 H new ATOM 0 HA LEU A 22 6.521 -9.953 -1.801 1.00 0.00 H new ATOM 0 HB2 LEU A 22 5.870 -8.977 1.011 1.00 0.00 H new ATOM 0 HB3 LEU A 22 4.832 -9.915 -0.045 1.00 0.00 H new ATOM 0 HG LEU A 22 7.454 -10.916 1.034 1.00 0.00 H new ATOM 0 HD11 LEU A 22 6.069 -12.230 2.675 1.00 0.00 H new ATOM 0 HD12 LEU A 22 5.890 -10.475 2.911 1.00 0.00 H new ATOM 0 HD13 LEU A 22 4.615 -11.395 2.078 1.00 0.00 H new ATOM 0 HD21 LEU A 22 6.517 -13.168 0.543 1.00 0.00 H new ATOM 0 HD22 LEU A 22 5.065 -12.395 -0.137 1.00 0.00 H new ATOM 0 HD23 LEU A 22 6.647 -12.160 -0.918 1.00 0.00 H new ATOM 366 N LEU A 23 6.532 -6.854 -0.560 1.00 0.00 N ATOM 367 CA LEU A 23 6.041 -5.487 -0.732 1.00 0.00 C ATOM 368 C LEU A 23 6.343 -4.956 -2.148 1.00 0.00 C ATOM 369 O LEU A 23 5.457 -4.432 -2.819 1.00 0.00 O ATOM 370 CB LEU A 23 6.625 -4.574 0.370 1.00 0.00 C ATOM 371 CG LEU A 23 5.692 -3.448 0.825 1.00 0.00 C ATOM 372 CD1 LEU A 23 5.039 -2.708 -0.336 1.00 0.00 C ATOM 373 CD2 LEU A 23 4.630 -4.030 1.742 1.00 0.00 C ATOM 0 H LEU A 23 7.187 -6.960 0.214 1.00 0.00 H new ATOM 0 HA LEU A 23 4.956 -5.487 -0.627 1.00 0.00 H new ATOM 0 HB2 LEU A 23 6.881 -5.187 1.234 1.00 0.00 H new ATOM 0 HB3 LEU A 23 7.553 -4.134 0.005 1.00 0.00 H new ATOM 0 HG LEU A 23 6.296 -2.711 1.355 1.00 0.00 H new ATOM 0 HD11 LEU A 23 4.390 -1.923 0.052 1.00 0.00 H new ATOM 0 HD12 LEU A 23 5.811 -2.264 -0.964 1.00 0.00 H new ATOM 0 HD13 LEU A 23 4.448 -3.408 -0.927 1.00 0.00 H new ATOM 0 HD21 LEU A 23 3.960 -3.236 2.072 1.00 0.00 H new ATOM 0 HD22 LEU A 23 4.059 -4.786 1.203 1.00 0.00 H new ATOM 0 HD23 LEU A 23 5.108 -4.485 2.609 1.00 0.00 H new ATOM 385 N ASN A 24 7.565 -5.170 -2.644 1.00 0.00 N ATOM 386 CA ASN A 24 7.993 -4.774 -3.991 1.00 0.00 C ATOM 387 C ASN A 24 7.144 -5.388 -5.115 1.00 0.00 C ATOM 388 O ASN A 24 6.995 -4.752 -6.155 1.00 0.00 O ATOM 389 CB ASN A 24 9.476 -5.112 -4.208 1.00 0.00 C ATOM 390 CG ASN A 24 10.385 -4.016 -3.677 1.00 0.00 C ATOM 391 OD1 ASN A 24 10.777 -3.098 -4.383 1.00 0.00 O ATOM 392 ND2 ASN A 24 10.724 -4.060 -2.413 1.00 0.00 N ATOM 0 H ASN A 24 8.301 -5.633 -2.110 1.00 0.00 H new ATOM 0 HA ASN A 24 7.846 -3.695 -4.046 1.00 0.00 H new ATOM 0 HB2 ASN A 24 9.711 -6.053 -3.711 1.00 0.00 H new ATOM 0 HB3 ASN A 24 9.664 -5.258 -5.272 1.00 0.00 H new ATOM 0 HD21 ASN A 24 11.315 -3.329 -2.018 1.00 0.00 H new ATOM 0 HD22 ASN A 24 10.397 -4.826 -1.824 1.00 0.00 H new ATOM 399 N LYS A 25 6.553 -6.575 -4.915 1.00 0.00 N ATOM 400 CA LYS A 25 5.589 -7.168 -5.856 1.00 0.00 C ATOM 401 C LYS A 25 4.215 -6.492 -5.741 1.00 0.00 C ATOM 402 O LYS A 25 3.603 -6.146 -6.751 1.00 0.00 O ATOM 403 CB LYS A 25 5.499 -8.683 -5.588 1.00 0.00 C ATOM 404 CG LYS A 25 4.643 -9.426 -6.628 1.00 0.00 C ATOM 405 CD LYS A 25 4.372 -10.891 -6.242 1.00 0.00 C ATOM 406 CE LYS A 25 5.627 -11.761 -6.062 1.00 0.00 C ATOM 407 NZ LYS A 25 6.351 -11.989 -7.342 1.00 0.00 N ATOM 0 H LYS A 25 6.730 -7.153 -4.094 1.00 0.00 H new ATOM 0 HA LYS A 25 5.932 -7.007 -6.878 1.00 0.00 H new ATOM 0 HB2 LYS A 25 6.504 -9.106 -5.583 1.00 0.00 H new ATOM 0 HB3 LYS A 25 5.079 -8.847 -4.596 1.00 0.00 H new ATOM 0 HG2 LYS A 25 3.693 -8.905 -6.748 1.00 0.00 H new ATOM 0 HG3 LYS A 25 5.147 -9.397 -7.594 1.00 0.00 H new ATOM 0 HD2 LYS A 25 3.802 -10.906 -5.313 1.00 0.00 H new ATOM 0 HD3 LYS A 25 3.743 -11.342 -7.009 1.00 0.00 H new ATOM 0 HE2 LYS A 25 6.298 -11.282 -5.349 1.00 0.00 H new ATOM 0 HE3 LYS A 25 5.341 -12.722 -5.634 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 7.188 -12.580 -7.167 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 5.722 -12.471 -8.016 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 6.650 -11.075 -7.739 1.00 0.00 H new ATOM 421 N TYR A 26 3.761 -6.255 -4.508 1.00 0.00 N ATOM 422 CA TYR A 26 2.472 -5.623 -4.192 1.00 0.00 C ATOM 423 C TYR A 26 2.372 -4.185 -4.732 1.00 0.00 C ATOM 424 O TYR A 26 1.324 -3.802 -5.247 1.00 0.00 O ATOM 425 CB TYR A 26 2.228 -5.661 -2.671 1.00 0.00 C ATOM 426 CG TYR A 26 1.657 -6.963 -2.122 1.00 0.00 C ATOM 427 CD1 TYR A 26 2.230 -8.211 -2.441 1.00 0.00 C ATOM 428 CD2 TYR A 26 0.535 -6.920 -1.270 1.00 0.00 C ATOM 429 CE1 TYR A 26 1.665 -9.402 -1.952 1.00 0.00 C ATOM 430 CE2 TYR A 26 -0.038 -8.110 -0.779 1.00 0.00 C ATOM 431 CZ TYR A 26 0.511 -9.358 -1.144 1.00 0.00 C ATOM 432 OH TYR A 26 -0.065 -10.520 -0.729 1.00 0.00 O ATOM 0 H TYR A 26 4.294 -6.504 -3.675 1.00 0.00 H new ATOM 0 HA TYR A 26 1.692 -6.195 -4.695 1.00 0.00 H new ATOM 0 HB2 TYR A 26 3.172 -5.459 -2.166 1.00 0.00 H new ATOM 0 HB3 TYR A 26 1.548 -4.850 -2.411 1.00 0.00 H new ATOM 0 HD1 TYR A 26 3.110 -8.253 -3.066 1.00 0.00 H new ATOM 0 HD2 TYR A 26 0.111 -5.967 -0.991 1.00 0.00 H new ATOM 0 HE1 TYR A 26 2.116 -10.352 -2.196 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -0.896 -8.067 -0.124 1.00 0.00 H new ATOM 0 HH TYR A 26 -0.851 -10.318 -0.179 1.00 0.00 H new ATOM 442 N VAL A 27 3.456 -3.401 -4.685 1.00 0.00 N ATOM 443 CA VAL A 27 3.529 -2.060 -5.310 1.00 0.00 C ATOM 444 C VAL A 27 3.612 -2.126 -6.833 1.00 0.00 C ATOM 445 O VAL A 27 2.924 -1.371 -7.514 1.00 0.00 O ATOM 446 CB VAL A 27 4.689 -1.208 -4.753 1.00 0.00 C ATOM 447 CG1 VAL A 27 4.460 -0.922 -3.271 1.00 0.00 C ATOM 448 CG2 VAL A 27 6.057 -1.870 -4.928 1.00 0.00 C ATOM 0 H VAL A 27 4.317 -3.674 -4.211 1.00 0.00 H new ATOM 0 HA VAL A 27 2.593 -1.569 -5.044 1.00 0.00 H new ATOM 0 HB VAL A 27 4.698 -0.282 -5.328 1.00 0.00 H new ATOM 0 HG11 VAL A 27 5.283 -0.320 -2.885 1.00 0.00 H new ATOM 0 HG12 VAL A 27 3.523 -0.379 -3.146 1.00 0.00 H new ATOM 0 HG13 VAL A 27 4.410 -1.863 -2.722 1.00 0.00 H new ATOM 0 HG21 VAL A 27 6.830 -1.221 -4.516 1.00 0.00 H new ATOM 0 HG22 VAL A 27 6.068 -2.826 -4.404 1.00 0.00 H new ATOM 0 HG23 VAL A 27 6.248 -2.035 -5.988 1.00 0.00 H new ATOM 458 N GLN A 28 4.368 -3.071 -7.398 1.00 0.00 N ATOM 459 CA GLN A 28 4.494 -3.280 -8.852 1.00 0.00 C ATOM 460 C GLN A 28 3.135 -3.421 -9.563 1.00 0.00 C ATOM 461 O GLN A 28 3.013 -3.042 -10.725 1.00 0.00 O ATOM 462 CB GLN A 28 5.348 -4.533 -9.096 1.00 0.00 C ATOM 463 CG GLN A 28 6.509 -4.298 -10.069 1.00 0.00 C ATOM 464 CD GLN A 28 7.618 -5.343 -9.924 1.00 0.00 C ATOM 465 OE1 GLN A 28 8.702 -5.071 -9.423 1.00 0.00 O ATOM 466 NE2 GLN A 28 7.413 -6.575 -10.342 1.00 0.00 N ATOM 0 H GLN A 28 4.923 -3.728 -6.850 1.00 0.00 H new ATOM 0 HA GLN A 28 4.970 -2.395 -9.275 1.00 0.00 H new ATOM 0 HB2 GLN A 28 5.747 -4.883 -8.144 1.00 0.00 H new ATOM 0 HB3 GLN A 28 4.712 -5.327 -9.486 1.00 0.00 H new ATOM 0 HG2 GLN A 28 6.131 -4.314 -11.091 1.00 0.00 H new ATOM 0 HG3 GLN A 28 6.926 -3.305 -9.899 1.00 0.00 H new ATOM 0 HE21 GLN A 28 6.519 -6.829 -10.763 1.00 0.00 H new ATOM 0 HE22 GLN A 28 8.148 -7.276 -10.245 1.00 0.00 H new ATOM 475 N CYS A 29 2.112 -3.900 -8.842 1.00 0.00 N ATOM 476 CA CYS A 29 0.712 -3.988 -9.270 1.00 0.00 C ATOM 477 C CYS A 29 0.128 -2.697 -9.873 1.00 0.00 C ATOM 478 O CYS A 29 -0.723 -2.761 -10.763 1.00 0.00 O ATOM 479 CB CYS A 29 -0.112 -4.440 -8.056 1.00 0.00 C ATOM 480 SG CYS A 29 -1.905 -4.613 -8.267 1.00 0.00 S ATOM 0 H CYS A 29 2.247 -4.255 -7.895 1.00 0.00 H new ATOM 0 HA CYS A 29 0.666 -4.705 -10.090 1.00 0.00 H new ATOM 0 HB2 CYS A 29 0.280 -5.401 -7.724 1.00 0.00 H new ATOM 0 HB3 CYS A 29 0.063 -3.729 -7.249 1.00 0.00 H new ATOM 485 N LEU A 30 0.608 -1.534 -9.419 1.00 0.00 N ATOM 486 CA LEU A 30 0.201 -0.216 -9.913 1.00 0.00 C ATOM 487 C LEU A 30 1.386 0.693 -10.310 1.00 0.00 C ATOM 488 O LEU A 30 1.177 1.736 -10.933 1.00 0.00 O ATOM 489 CB LEU A 30 -0.807 0.436 -8.936 1.00 0.00 C ATOM 490 CG LEU A 30 -0.431 0.665 -7.454 1.00 0.00 C ATOM 491 CD1 LEU A 30 -0.396 -0.609 -6.603 1.00 0.00 C ATOM 492 CD2 LEU A 30 0.908 1.372 -7.284 1.00 0.00 C ATOM 0 H LEU A 30 1.308 -1.483 -8.679 1.00 0.00 H new ATOM 0 HA LEU A 30 -0.322 -0.362 -10.858 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -1.076 1.407 -9.353 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -1.708 -0.177 -8.948 1.00 0.00 H new ATOM 0 HG LEU A 30 -1.241 1.299 -7.095 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -0.124 -0.355 -5.579 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -1.379 -1.079 -6.611 1.00 0.00 H new ATOM 0 HD13 LEU A 30 0.340 -1.300 -7.013 1.00 0.00 H new ATOM 0 HD21 LEU A 30 1.117 1.505 -6.223 1.00 0.00 H new ATOM 0 HD22 LEU A 30 1.697 0.771 -7.737 1.00 0.00 H new ATOM 0 HD23 LEU A 30 0.869 2.347 -7.771 1.00 0.00 H new ATOM 504 N LEU A 31 2.624 0.293 -9.987 1.00 0.00 N ATOM 505 CA LEU A 31 3.863 0.958 -10.401 1.00 0.00 C ATOM 506 C LEU A 31 4.186 0.653 -11.877 1.00 0.00 C ATOM 507 O LEU A 31 4.451 1.579 -12.646 1.00 0.00 O ATOM 508 CB LEU A 31 4.976 0.583 -9.387 1.00 0.00 C ATOM 509 CG LEU A 31 6.376 0.185 -9.890 1.00 0.00 C ATOM 510 CD1 LEU A 31 7.101 1.334 -10.577 1.00 0.00 C ATOM 511 CD2 LEU A 31 7.229 -0.266 -8.702 1.00 0.00 C ATOM 0 H LEU A 31 2.794 -0.531 -9.410 1.00 0.00 H new ATOM 0 HA LEU A 31 3.764 2.043 -10.375 1.00 0.00 H new ATOM 0 HB2 LEU A 31 5.102 1.433 -8.716 1.00 0.00 H new ATOM 0 HB3 LEU A 31 4.601 -0.245 -8.786 1.00 0.00 H new ATOM 0 HG LEU A 31 6.237 -0.616 -10.616 1.00 0.00 H new ATOM 0 HD11 LEU A 31 8.082 0.997 -10.911 1.00 0.00 H new ATOM 0 HD12 LEU A 31 6.520 1.669 -11.436 1.00 0.00 H new ATOM 0 HD13 LEU A 31 7.220 2.160 -9.876 1.00 0.00 H new ATOM 0 HD21 LEU A 31 8.221 -0.549 -9.053 1.00 0.00 H new ATOM 0 HD22 LEU A 31 7.317 0.551 -7.986 1.00 0.00 H new ATOM 0 HD23 LEU A 31 6.757 -1.122 -8.219 1.00 0.00 H new ATOM 523 N GLU A 32 4.132 -0.616 -12.299 1.00 0.00 N ATOM 524 CA GLU A 32 4.362 -0.992 -13.703 1.00 0.00 C ATOM 525 C GLU A 32 3.119 -0.769 -14.590 1.00 0.00 C ATOM 526 O GLU A 32 1.992 -0.626 -14.112 1.00 0.00 O ATOM 527 CB GLU A 32 4.826 -2.459 -13.812 1.00 0.00 C ATOM 528 CG GLU A 32 6.301 -2.625 -13.421 1.00 0.00 C ATOM 529 CD GLU A 32 6.850 -4.026 -13.770 1.00 0.00 C ATOM 530 OE1 GLU A 32 6.101 -5.029 -13.691 1.00 0.00 O ATOM 531 OE2 GLU A 32 8.053 -4.130 -14.117 1.00 0.00 O ATOM 0 H GLU A 32 3.930 -1.405 -11.686 1.00 0.00 H new ATOM 0 HA GLU A 32 5.150 -0.335 -14.071 1.00 0.00 H new ATOM 0 HB2 GLU A 32 4.207 -3.084 -13.168 1.00 0.00 H new ATOM 0 HB3 GLU A 32 4.680 -2.811 -14.833 1.00 0.00 H new ATOM 0 HG2 GLU A 32 6.896 -1.867 -13.931 1.00 0.00 H new ATOM 0 HG3 GLU A 32 6.412 -2.451 -12.351 1.00 0.00 H new ATOM 538 N ASP A 33 3.325 -0.791 -15.911 1.00 0.00 N ATOM 539 CA ASP A 33 2.275 -0.711 -16.939 1.00 0.00 C ATOM 540 C ASP A 33 1.420 -1.998 -17.077 1.00 0.00 C ATOM 541 O ASP A 33 0.520 -2.053 -17.920 1.00 0.00 O ATOM 542 CB ASP A 33 2.931 -0.357 -18.286 1.00 0.00 C ATOM 543 CG ASP A 33 3.592 1.031 -18.263 1.00 0.00 C ATOM 544 OD1 ASP A 33 2.870 2.050 -18.384 1.00 0.00 O ATOM 545 OD2 ASP A 33 4.839 1.109 -18.139 1.00 0.00 O ATOM 0 H ASP A 33 4.260 -0.868 -16.311 1.00 0.00 H new ATOM 0 HA ASP A 33 1.577 0.065 -16.624 1.00 0.00 H new ATOM 0 HB2 ASP A 33 3.680 -1.110 -18.533 1.00 0.00 H new ATOM 0 HB3 ASP A 33 2.178 -0.386 -19.074 1.00 0.00 H new ATOM 550 N ASP A 34 1.670 -3.032 -16.262 1.00 0.00 N ATOM 551 CA ASP A 34 1.002 -4.341 -16.314 1.00 0.00 C ATOM 552 C ASP A 34 0.581 -4.838 -14.918 1.00 0.00 C ATOM 553 O ASP A 34 1.270 -4.629 -13.916 1.00 0.00 O ATOM 554 CB ASP A 34 1.925 -5.385 -16.963 1.00 0.00 C ATOM 555 CG ASP A 34 2.201 -5.100 -18.449 1.00 0.00 C ATOM 556 OD1 ASP A 34 1.320 -5.397 -19.293 1.00 0.00 O ATOM 557 OD2 ASP A 34 3.310 -4.621 -18.787 1.00 0.00 O ATOM 0 H ASP A 34 2.369 -2.978 -15.521 1.00 0.00 H new ATOM 0 HA ASP A 34 0.101 -4.212 -16.913 1.00 0.00 H new ATOM 0 HB2 ASP A 34 2.871 -5.412 -16.422 1.00 0.00 H new ATOM 0 HB3 ASP A 34 1.473 -6.372 -16.866 1.00 0.00 H new ATOM 562 N GLU A 35 -0.546 -5.552 -14.872 1.00 0.00 N ATOM 563 CA GLU A 35 -1.225 -5.985 -13.636 1.00 0.00 C ATOM 564 C GLU A 35 -0.978 -7.455 -13.256 1.00 0.00 C ATOM 565 O GLU A 35 -1.490 -7.946 -12.250 1.00 0.00 O ATOM 566 CB GLU A 35 -2.726 -5.647 -13.720 1.00 0.00 C ATOM 567 CG GLU A 35 -3.474 -6.430 -14.811 1.00 0.00 C ATOM 568 CD GLU A 35 -4.963 -6.036 -14.852 1.00 0.00 C ATOM 569 OE1 GLU A 35 -5.319 -5.063 -15.562 1.00 0.00 O ATOM 570 OE2 GLU A 35 -5.793 -6.702 -14.186 1.00 0.00 O ATOM 0 H GLU A 35 -1.031 -5.857 -15.716 1.00 0.00 H new ATOM 0 HA GLU A 35 -0.777 -5.423 -12.817 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -3.190 -5.851 -12.755 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -2.839 -4.579 -13.909 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -3.016 -6.236 -15.781 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -3.382 -7.500 -14.623 1.00 0.00 H new ATOM 577 N SER A 36 -0.133 -8.150 -14.018 1.00 0.00 N ATOM 578 CA SER A 36 0.305 -9.535 -13.751 1.00 0.00 C ATOM 579 C SER A 36 0.995 -9.700 -12.387 1.00 0.00 C ATOM 580 O SER A 36 1.026 -10.793 -11.820 1.00 0.00 O ATOM 581 CB SER A 36 1.272 -10.001 -14.845 1.00 0.00 C ATOM 582 OG SER A 36 0.698 -9.836 -16.135 1.00 0.00 O ATOM 0 H SER A 36 0.282 -7.760 -14.864 1.00 0.00 H new ATOM 0 HA SER A 36 -0.600 -10.143 -13.742 1.00 0.00 H new ATOM 0 HB2 SER A 36 2.200 -9.434 -14.781 1.00 0.00 H new ATOM 0 HB3 SER A 36 1.527 -11.049 -14.688 1.00 0.00 H new ATOM 0 HG SER A 36 1.334 -10.138 -16.817 1.00 0.00 H new ATOM 588 N ASN A 37 1.539 -8.602 -11.851 1.00 0.00 N ATOM 589 CA ASN A 37 2.157 -8.513 -10.528 1.00 0.00 C ATOM 590 C ASN A 37 1.163 -8.654 -9.357 1.00 0.00 C ATOM 591 O ASN A 37 1.558 -9.051 -8.261 1.00 0.00 O ATOM 592 CB ASN A 37 2.835 -7.139 -10.432 1.00 0.00 C ATOM 593 CG ASN A 37 3.951 -6.934 -11.440 1.00 0.00 C ATOM 594 OD1 ASN A 37 4.969 -7.608 -11.407 1.00 0.00 O ATOM 595 ND2 ASN A 37 3.830 -5.973 -12.326 1.00 0.00 N ATOM 0 H ASN A 37 1.560 -7.713 -12.351 1.00 0.00 H new ATOM 0 HA ASN A 37 2.856 -9.344 -10.436 1.00 0.00 H new ATOM 0 HB2 ASN A 37 2.083 -6.363 -10.574 1.00 0.00 H new ATOM 0 HB3 ASN A 37 3.238 -7.013 -9.427 1.00 0.00 H new ATOM 0 HD21 ASN A 37 4.586 -5.790 -12.986 1.00 0.00 H new ATOM 0 HD22 ASN A 37 2.980 -5.410 -12.354 1.00 0.00 H new ATOM 602 N CYS A 38 -0.107 -8.286 -9.556 1.00 0.00 N ATOM 603 CA CYS A 38 -1.108 -8.214 -8.488 1.00 0.00 C ATOM 604 C CYS A 38 -1.447 -9.613 -7.933 1.00 0.00 C ATOM 605 O CYS A 38 -1.915 -10.480 -8.677 1.00 0.00 O ATOM 606 CB CYS A 38 -2.371 -7.540 -9.040 1.00 0.00 C ATOM 607 SG CYS A 38 -2.160 -5.909 -9.808 1.00 0.00 S ATOM 0 H CYS A 38 -0.472 -8.027 -10.473 1.00 0.00 H new ATOM 0 HA CYS A 38 -0.701 -7.629 -7.663 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -2.817 -8.207 -9.777 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -3.087 -7.441 -8.224 1.00 0.00 H new ATOM 612 N THR A 39 -1.241 -9.839 -6.630 1.00 0.00 N ATOM 613 CA THR A 39 -1.663 -11.087 -5.961 1.00 0.00 C ATOM 614 C THR A 39 -3.160 -11.058 -5.625 1.00 0.00 C ATOM 615 O THR A 39 -3.809 -10.010 -5.709 1.00 0.00 O ATOM 616 CB THR A 39 -0.848 -11.363 -4.685 1.00 0.00 C ATOM 617 OG1 THR A 39 -1.175 -10.426 -3.689 1.00 0.00 O ATOM 618 CG2 THR A 39 0.662 -11.310 -4.913 1.00 0.00 C ATOM 0 H THR A 39 -0.782 -9.172 -6.010 1.00 0.00 H new ATOM 0 HA THR A 39 -1.473 -11.897 -6.666 1.00 0.00 H new ATOM 0 HB THR A 39 -1.108 -12.375 -4.375 1.00 0.00 H new ATOM 0 HG1 THR A 39 -0.399 -10.281 -3.109 1.00 0.00 H new ATOM 0 HG21 THR A 39 1.179 -11.513 -3.975 1.00 0.00 H new ATOM 0 HG22 THR A 39 0.945 -12.059 -5.653 1.00 0.00 H new ATOM 0 HG23 THR A 39 0.941 -10.320 -5.274 1.00 0.00 H new ATOM 626 N ALA A 40 -3.717 -12.198 -5.201 1.00 0.00 N ATOM 627 CA ALA A 40 -5.117 -12.333 -4.783 1.00 0.00 C ATOM 628 C ALA A 40 -5.550 -11.360 -3.659 1.00 0.00 C ATOM 629 O ALA A 40 -6.737 -11.050 -3.547 1.00 0.00 O ATOM 630 CB ALA A 40 -5.358 -13.792 -4.377 1.00 0.00 C ATOM 0 H ALA A 40 -3.195 -13.072 -5.138 1.00 0.00 H new ATOM 0 HA ALA A 40 -5.740 -12.055 -5.633 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -6.394 -13.916 -4.062 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -5.157 -14.444 -5.227 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -4.695 -14.055 -3.553 1.00 0.00 H new ATOM 636 N ASP A 41 -4.605 -10.857 -2.854 1.00 0.00 N ATOM 637 CA ASP A 41 -4.865 -9.970 -1.708 1.00 0.00 C ATOM 638 C ASP A 41 -4.159 -8.607 -1.824 1.00 0.00 C ATOM 639 O ASP A 41 -4.695 -7.607 -1.349 1.00 0.00 O ATOM 640 CB ASP A 41 -4.467 -10.684 -0.410 1.00 0.00 C ATOM 641 CG ASP A 41 -5.263 -11.984 -0.214 1.00 0.00 C ATOM 642 OD1 ASP A 41 -6.470 -11.908 0.118 1.00 0.00 O ATOM 643 OD2 ASP A 41 -4.679 -13.079 -0.400 1.00 0.00 O ATOM 0 H ASP A 41 -3.614 -11.059 -2.983 1.00 0.00 H new ATOM 0 HA ASP A 41 -5.933 -9.752 -1.699 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -3.401 -10.909 -0.430 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -4.637 -10.021 0.438 1.00 0.00 H new ATOM 648 N GLY A 42 -3.021 -8.523 -2.524 1.00 0.00 N ATOM 649 CA GLY A 42 -2.355 -7.260 -2.866 1.00 0.00 C ATOM 650 C GLY A 42 -3.213 -6.359 -3.750 1.00 0.00 C ATOM 651 O GLY A 42 -3.279 -5.146 -3.538 1.00 0.00 O ATOM 0 H GLY A 42 -2.529 -9.345 -2.875 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -2.103 -6.728 -1.949 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -1.417 -7.476 -3.377 1.00 0.00 H new ATOM 655 N LYS A 43 -3.947 -6.973 -4.683 1.00 0.00 N ATOM 656 CA LYS A 43 -4.991 -6.334 -5.500 1.00 0.00 C ATOM 657 C LYS A 43 -6.080 -5.672 -4.664 1.00 0.00 C ATOM 658 O LYS A 43 -6.445 -4.535 -4.954 1.00 0.00 O ATOM 659 CB LYS A 43 -5.604 -7.424 -6.402 1.00 0.00 C ATOM 660 CG LYS A 43 -6.712 -6.946 -7.359 1.00 0.00 C ATOM 661 CD LYS A 43 -7.718 -8.067 -7.660 1.00 0.00 C ATOM 662 CE LYS A 43 -7.069 -9.257 -8.382 1.00 0.00 C ATOM 663 NZ LYS A 43 -8.074 -10.301 -8.716 1.00 0.00 N ATOM 0 H LYS A 43 -3.829 -7.963 -4.900 1.00 0.00 H new ATOM 0 HA LYS A 43 -4.536 -5.535 -6.086 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -4.806 -7.873 -6.993 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -6.011 -8.210 -5.767 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -7.233 -6.096 -6.918 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -6.265 -6.597 -8.290 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -8.165 -8.411 -6.727 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -8.527 -7.671 -8.273 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -6.584 -8.911 -9.295 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -6.291 -9.687 -7.751 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -7.605 -11.091 -9.203 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -8.518 -10.647 -7.842 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -8.803 -9.895 -9.337 1.00 0.00 H new ATOM 677 N GLU A 44 -6.602 -6.361 -3.653 1.00 0.00 N ATOM 678 CA GLU A 44 -7.624 -5.811 -2.760 1.00 0.00 C ATOM 679 C GLU A 44 -7.028 -4.708 -1.873 1.00 0.00 C ATOM 680 O GLU A 44 -7.596 -3.619 -1.798 1.00 0.00 O ATOM 681 CB GLU A 44 -8.239 -6.950 -1.933 1.00 0.00 C ATOM 682 CG GLU A 44 -9.365 -6.489 -1.006 1.00 0.00 C ATOM 683 CD GLU A 44 -9.811 -7.636 -0.078 1.00 0.00 C ATOM 684 OE1 GLU A 44 -10.642 -8.476 -0.503 1.00 0.00 O ATOM 685 OE2 GLU A 44 -9.348 -7.681 1.088 1.00 0.00 O ATOM 0 H GLU A 44 -6.330 -7.318 -3.427 1.00 0.00 H new ATOM 0 HA GLU A 44 -8.418 -5.349 -3.346 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -8.625 -7.713 -2.609 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -7.457 -7.419 -1.336 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -9.027 -5.642 -0.409 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -10.212 -6.144 -1.599 1.00 0.00 H new ATOM 692 N LEU A 45 -5.849 -4.945 -1.279 1.00 0.00 N ATOM 693 CA LEU A 45 -5.124 -3.992 -0.437 1.00 0.00 C ATOM 694 C LEU A 45 -4.892 -2.665 -1.175 1.00 0.00 C ATOM 695 O LEU A 45 -5.330 -1.619 -0.700 1.00 0.00 O ATOM 696 CB LEU A 45 -3.828 -4.672 0.071 1.00 0.00 C ATOM 697 CG LEU A 45 -2.799 -3.747 0.762 1.00 0.00 C ATOM 698 CD1 LEU A 45 -2.083 -4.443 1.930 1.00 0.00 C ATOM 699 CD2 LEU A 45 -1.720 -3.279 -0.222 1.00 0.00 C ATOM 0 H LEU A 45 -5.361 -5.835 -1.377 1.00 0.00 H new ATOM 0 HA LEU A 45 -5.715 -3.720 0.437 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -4.106 -5.459 0.772 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -3.340 -5.156 -0.775 1.00 0.00 H new ATOM 0 HG LEU A 45 -3.373 -2.899 1.136 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -1.371 -3.753 2.383 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -2.816 -4.749 2.676 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -1.553 -5.321 1.561 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -1.013 -2.631 0.295 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -1.193 -4.145 -0.623 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -2.187 -2.728 -1.039 1.00 0.00 H new ATOM 711 N LYS A 46 -4.314 -2.684 -2.383 1.00 0.00 N ATOM 712 CA LYS A 46 -4.109 -1.458 -3.175 1.00 0.00 C ATOM 713 C LYS A 46 -5.412 -0.810 -3.639 1.00 0.00 C ATOM 714 O LYS A 46 -5.424 0.390 -3.893 1.00 0.00 O ATOM 715 CB LYS A 46 -3.120 -1.696 -4.332 1.00 0.00 C ATOM 716 CG LYS A 46 -3.724 -2.441 -5.529 1.00 0.00 C ATOM 717 CD LYS A 46 -4.288 -1.530 -6.636 1.00 0.00 C ATOM 718 CE LYS A 46 -4.906 -2.355 -7.772 1.00 0.00 C ATOM 719 NZ LYS A 46 -6.243 -2.909 -7.414 1.00 0.00 N ATOM 0 H LYS A 46 -3.979 -3.534 -2.836 1.00 0.00 H new ATOM 0 HA LYS A 46 -3.655 -0.729 -2.504 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -2.737 -0.734 -4.672 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -2.268 -2.263 -3.957 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -2.959 -3.085 -5.962 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -4.522 -3.091 -5.170 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -5.042 -0.865 -6.214 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -3.492 -0.899 -7.032 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -5.001 -1.730 -8.660 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -4.234 -3.174 -8.029 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -6.572 -3.540 -8.173 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -6.170 -3.445 -6.525 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -6.921 -2.130 -7.294 1.00 0.00 H new ATOM 733 N SER A 47 -6.490 -1.589 -3.772 1.00 0.00 N ATOM 734 CA SER A 47 -7.821 -1.088 -4.166 1.00 0.00 C ATOM 735 C SER A 47 -8.529 -0.347 -3.026 1.00 0.00 C ATOM 736 O SER A 47 -9.288 0.588 -3.282 1.00 0.00 O ATOM 737 CB SER A 47 -8.723 -2.231 -4.649 1.00 0.00 C ATOM 738 OG SER A 47 -9.799 -1.734 -5.426 1.00 0.00 O ATOM 0 H SER A 47 -6.468 -2.596 -3.609 1.00 0.00 H new ATOM 0 HA SER A 47 -7.648 -0.384 -4.980 1.00 0.00 H new ATOM 0 HB2 SER A 47 -8.138 -2.936 -5.240 1.00 0.00 H new ATOM 0 HB3 SER A 47 -9.112 -2.780 -3.791 1.00 0.00 H new ATOM 0 HG SER A 47 -10.359 -2.481 -5.724 1.00 0.00 H new ATOM 744 N VAL A 48 -8.260 -0.719 -1.768 1.00 0.00 N ATOM 745 CA VAL A 48 -8.800 -0.030 -0.584 1.00 0.00 C ATOM 746 C VAL A 48 -7.892 1.098 -0.070 1.00 0.00 C ATOM 747 O VAL A 48 -8.383 2.022 0.580 1.00 0.00 O ATOM 748 CB VAL A 48 -9.154 -1.036 0.526 1.00 0.00 C ATOM 749 CG1 VAL A 48 -7.932 -1.729 1.113 1.00 0.00 C ATOM 750 CG2 VAL A 48 -9.846 -0.347 1.693 1.00 0.00 C ATOM 0 H VAL A 48 -7.659 -1.510 -1.539 1.00 0.00 H new ATOM 0 HA VAL A 48 -9.720 0.460 -0.902 1.00 0.00 H new ATOM 0 HB VAL A 48 -9.802 -1.767 0.042 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -8.247 -2.426 1.890 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -7.410 -2.274 0.327 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -7.263 -0.984 1.543 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -10.084 -1.083 2.461 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -9.185 0.413 2.111 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -10.765 0.123 1.344 1.00 0.00 H new ATOM 760 N ILE A 49 -6.591 1.096 -0.398 1.00 0.00 N ATOM 761 CA ILE A 49 -5.675 2.184 -0.015 1.00 0.00 C ATOM 762 C ILE A 49 -6.233 3.572 -0.408 1.00 0.00 C ATOM 763 O ILE A 49 -6.254 4.455 0.451 1.00 0.00 O ATOM 764 CB ILE A 49 -4.230 1.970 -0.551 1.00 0.00 C ATOM 765 CG1 ILE A 49 -3.470 0.971 0.353 1.00 0.00 C ATOM 766 CG2 ILE A 49 -3.413 3.280 -0.622 1.00 0.00 C ATOM 767 CD1 ILE A 49 -2.072 0.560 -0.130 1.00 0.00 C ATOM 0 H ILE A 49 -6.146 0.348 -0.931 1.00 0.00 H new ATOM 0 HA ILE A 49 -5.607 2.157 1.073 1.00 0.00 H new ATOM 0 HB ILE A 49 -4.335 1.581 -1.564 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -3.376 1.409 1.347 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -4.076 0.071 0.457 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -2.414 3.066 -1.003 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -3.912 3.984 -1.287 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -3.335 3.715 0.374 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -1.633 -0.141 0.580 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -2.150 0.085 -1.108 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -1.439 1.444 -0.205 1.00 0.00 H new ATOM 779 N PRO A 50 -6.729 3.797 -1.647 1.00 0.00 N ATOM 780 CA PRO A 50 -7.291 5.091 -2.038 1.00 0.00 C ATOM 781 C PRO A 50 -8.673 5.357 -1.408 1.00 0.00 C ATOM 782 O PRO A 50 -9.062 6.511 -1.240 1.00 0.00 O ATOM 783 CB PRO A 50 -7.373 5.055 -3.568 1.00 0.00 C ATOM 784 CG PRO A 50 -7.543 3.569 -3.877 1.00 0.00 C ATOM 785 CD PRO A 50 -6.720 2.896 -2.795 1.00 0.00 C ATOM 0 HA PRO A 50 -6.663 5.907 -1.680 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -8.213 5.642 -3.940 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -6.472 5.461 -4.029 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -8.589 3.266 -3.835 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -7.179 3.320 -4.874 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -7.144 1.927 -2.531 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -5.701 2.715 -3.138 1.00 0.00 H new ATOM 793 N ASP A 51 -9.414 4.321 -1.003 1.00 0.00 N ATOM 794 CA ASP A 51 -10.691 4.454 -0.277 1.00 0.00 C ATOM 795 C ASP A 51 -10.501 5.073 1.119 1.00 0.00 C ATOM 796 O ASP A 51 -11.345 5.848 1.577 1.00 0.00 O ATOM 797 CB ASP A 51 -11.393 3.088 -0.171 1.00 0.00 C ATOM 798 CG ASP A 51 -12.683 3.023 -0.999 1.00 0.00 C ATOM 799 OD1 ASP A 51 -12.625 3.167 -2.243 1.00 0.00 O ATOM 800 OD2 ASP A 51 -13.760 2.817 -0.393 1.00 0.00 O ATOM 0 H ASP A 51 -9.144 3.352 -1.170 1.00 0.00 H new ATOM 0 HA ASP A 51 -11.322 5.134 -0.849 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -10.711 2.306 -0.505 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -11.625 2.883 0.874 1.00 0.00 H new ATOM 805 N ALA A 52 -9.352 4.827 1.762 1.00 0.00 N ATOM 806 CA ALA A 52 -8.929 5.531 2.977 1.00 0.00 C ATOM 807 C ALA A 52 -8.695 7.046 2.775 1.00 0.00 C ATOM 808 O ALA A 52 -8.578 7.786 3.754 1.00 0.00 O ATOM 809 CB ALA A 52 -7.693 4.832 3.551 1.00 0.00 C ATOM 0 H ALA A 52 -8.683 4.124 1.448 1.00 0.00 H new ATOM 0 HA ALA A 52 -9.749 5.478 3.693 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -7.370 5.348 4.455 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -7.939 3.798 3.792 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -6.889 4.852 2.815 1.00 0.00 H new ATOM 815 N LEU A 53 -8.678 7.517 1.521 1.00 0.00 N ATOM 816 CA LEU A 53 -8.479 8.916 1.118 1.00 0.00 C ATOM 817 C LEU A 53 -9.758 9.530 0.498 1.00 0.00 C ATOM 818 O LEU A 53 -9.822 10.743 0.288 1.00 0.00 O ATOM 819 CB LEU A 53 -7.306 9.006 0.114 1.00 0.00 C ATOM 820 CG LEU A 53 -6.094 8.084 0.370 1.00 0.00 C ATOM 821 CD1 LEU A 53 -5.078 8.179 -0.767 1.00 0.00 C ATOM 822 CD2 LEU A 53 -5.376 8.395 1.681 1.00 0.00 C ATOM 0 H LEU A 53 -8.809 6.901 0.719 1.00 0.00 H new ATOM 0 HA LEU A 53 -8.244 9.491 2.014 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -7.694 8.788 -0.881 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -6.951 10.036 0.099 1.00 0.00 H new ATOM 0 HG LEU A 53 -6.503 7.076 0.430 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -4.236 7.519 -0.559 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -5.550 7.880 -1.703 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -4.722 9.206 -0.852 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -4.534 7.714 1.805 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -5.012 9.422 1.662 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -6.069 8.271 2.513 1.00 0.00 H new ATOM 834 N SER A 54 -10.778 8.703 0.223 1.00 0.00 N ATOM 835 CA SER A 54 -12.027 9.078 -0.468 1.00 0.00 C ATOM 836 C SER A 54 -13.252 9.061 0.461 1.00 0.00 C ATOM 837 O SER A 54 -14.130 9.923 0.369 1.00 0.00 O ATOM 838 CB SER A 54 -12.263 8.100 -1.628 1.00 0.00 C ATOM 839 OG SER A 54 -13.169 8.653 -2.568 1.00 0.00 O ATOM 0 H SER A 54 -10.758 7.717 0.484 1.00 0.00 H new ATOM 0 HA SER A 54 -11.909 10.100 -0.827 1.00 0.00 H new ATOM 0 HB2 SER A 54 -11.316 7.872 -2.117 1.00 0.00 H new ATOM 0 HB3 SER A 54 -12.658 7.159 -1.244 1.00 0.00 H new ATOM 0 HG SER A 54 -13.307 8.018 -3.302 1.00 0.00 H new ATOM 845 N ASN A 55 -13.284 8.109 1.401 1.00 0.00 N ATOM 846 CA ASN A 55 -14.342 7.909 2.402 1.00 0.00 C ATOM 847 C ASN A 55 -13.765 7.394 3.737 1.00 0.00 C ATOM 848 O ASN A 55 -14.460 6.716 4.491 1.00 0.00 O ATOM 849 CB ASN A 55 -15.460 6.996 1.834 1.00 0.00 C ATOM 850 CG ASN A 55 -14.968 5.905 0.901 1.00 0.00 C ATOM 851 OD1 ASN A 55 -15.038 6.016 -0.315 1.00 0.00 O ATOM 852 ND2 ASN A 55 -14.444 4.828 1.433 1.00 0.00 N ATOM 0 H ASN A 55 -12.535 7.422 1.490 1.00 0.00 H new ATOM 0 HA ASN A 55 -14.799 8.873 2.625 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -15.991 6.533 2.666 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -16.181 7.615 1.300 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -14.094 4.081 0.833 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -14.386 4.737 2.447 1.00 0.00 H new ATOM 859 N GLU A 56 -12.486 7.665 4.026 1.00 0.00 N ATOM 860 CA GLU A 56 -11.784 7.237 5.254 1.00 0.00 C ATOM 861 C GLU A 56 -11.931 5.726 5.552 1.00 0.00 C ATOM 862 O GLU A 56 -11.949 5.300 6.709 1.00 0.00 O ATOM 863 CB GLU A 56 -12.190 8.136 6.439 1.00 0.00 C ATOM 864 CG GLU A 56 -11.868 9.617 6.189 1.00 0.00 C ATOM 865 CD GLU A 56 -12.212 10.472 7.423 1.00 0.00 C ATOM 866 OE1 GLU A 56 -11.336 10.659 8.304 1.00 0.00 O ATOM 867 OE2 GLU A 56 -13.360 10.973 7.522 1.00 0.00 O ATOM 0 H GLU A 56 -11.889 8.203 3.397 1.00 0.00 H new ATOM 0 HA GLU A 56 -10.715 7.370 5.087 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -13.258 8.026 6.625 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -11.673 7.802 7.339 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -10.811 9.728 5.949 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -12.430 9.975 5.326 1.00 0.00 H new ATOM 874 N CYS A 57 -12.055 4.907 4.495 1.00 0.00 N ATOM 875 CA CYS A 57 -12.298 3.461 4.559 1.00 0.00 C ATOM 876 C CYS A 57 -13.593 3.090 5.331 1.00 0.00 C ATOM 877 O CYS A 57 -13.702 2.013 5.910 1.00 0.00 O ATOM 878 CB CYS A 57 -11.036 2.779 5.118 1.00 0.00 C ATOM 879 SG CYS A 57 -10.620 1.118 4.512 1.00 0.00 S ATOM 0 H CYS A 57 -11.986 5.249 3.537 1.00 0.00 H new ATOM 0 HA CYS A 57 -12.484 3.087 3.552 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -10.187 3.431 4.913 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -11.140 2.722 6.202 1.00 0.00 H new ATOM 884 N ALA A 58 -14.600 3.966 5.391 1.00 0.00 N ATOM 885 CA ALA A 58 -15.798 3.746 6.205 1.00 0.00 C ATOM 886 C ALA A 58 -16.661 2.544 5.769 1.00 0.00 C ATOM 887 O ALA A 58 -17.362 1.959 6.599 1.00 0.00 O ATOM 888 CB ALA A 58 -16.610 5.049 6.195 1.00 0.00 C ATOM 0 H ALA A 58 -14.607 4.847 4.877 1.00 0.00 H new ATOM 0 HA ALA A 58 -15.475 3.484 7.213 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -17.512 4.920 6.793 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -16.009 5.856 6.614 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -16.887 5.297 5.170 1.00 0.00 H new ATOM 894 N LYS A 59 -16.586 2.144 4.490 1.00 0.00 N ATOM 895 CA LYS A 59 -17.256 0.943 3.952 1.00 0.00 C ATOM 896 C LYS A 59 -16.440 -0.357 4.114 1.00 0.00 C ATOM 897 O LYS A 59 -16.927 -1.435 3.767 1.00 0.00 O ATOM 898 CB LYS A 59 -17.638 1.180 2.476 1.00 0.00 C ATOM 899 CG LYS A 59 -18.521 2.418 2.222 1.00 0.00 C ATOM 900 CD LYS A 59 -19.839 2.407 3.020 1.00 0.00 C ATOM 901 CE LYS A 59 -20.725 3.626 2.718 1.00 0.00 C ATOM 902 NZ LYS A 59 -21.323 3.575 1.356 1.00 0.00 N ATOM 0 H LYS A 59 -16.050 2.652 3.787 1.00 0.00 H new ATOM 0 HA LYS A 59 -18.155 0.790 4.549 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -16.724 1.278 1.891 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -18.160 0.298 2.105 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -17.958 3.315 2.479 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -18.750 2.479 1.158 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -20.391 1.496 2.790 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -19.613 2.382 4.086 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -21.522 3.684 3.459 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -20.132 4.535 2.817 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -21.924 4.411 1.209 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -20.565 3.565 0.644 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -21.898 2.714 1.262 1.00 0.00 H new ATOM 916 N CYS A 60 -15.213 -0.271 4.627 1.00 0.00 N ATOM 917 CA CYS A 60 -14.301 -1.383 4.860 1.00 0.00 C ATOM 918 C CYS A 60 -14.674 -2.196 6.109 1.00 0.00 C ATOM 919 O CYS A 60 -15.340 -1.707 7.027 1.00 0.00 O ATOM 920 CB CYS A 60 -12.906 -0.788 5.072 1.00 0.00 C ATOM 921 SG CYS A 60 -12.317 0.283 3.742 1.00 0.00 S ATOM 0 H CYS A 60 -14.810 0.624 4.905 1.00 0.00 H new ATOM 0 HA CYS A 60 -14.347 -2.056 4.004 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -12.909 -0.218 6.001 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -12.196 -1.605 5.201 1.00 0.00 H new ATOM 926 N ASN A 61 -14.138 -3.413 6.188 1.00 0.00 N ATOM 927 CA ASN A 61 -14.033 -4.165 7.444 1.00 0.00 C ATOM 928 C ASN A 61 -12.880 -3.628 8.314 1.00 0.00 C ATOM 929 O ASN A 61 -11.917 -3.051 7.806 1.00 0.00 O ATOM 930 CB ASN A 61 -13.879 -5.673 7.152 1.00 0.00 C ATOM 931 CG ASN A 61 -12.717 -6.031 6.236 1.00 0.00 C ATOM 932 OD1 ASN A 61 -12.614 -5.566 5.113 1.00 0.00 O ATOM 933 ND2 ASN A 61 -11.809 -6.875 6.670 1.00 0.00 N ATOM 0 H ASN A 61 -13.762 -3.910 5.381 1.00 0.00 H new ATOM 0 HA ASN A 61 -14.953 -4.028 8.013 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -13.754 -6.201 8.097 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -14.803 -6.038 6.703 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -11.027 -7.136 6.070 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -11.886 -7.269 7.607 1.00 0.00 H new ATOM 940 N GLU A 62 -12.947 -3.856 9.629 1.00 0.00 N ATOM 941 CA GLU A 62 -11.948 -3.371 10.598 1.00 0.00 C ATOM 942 C GLU A 62 -10.507 -3.818 10.289 1.00 0.00 C ATOM 943 O GLU A 62 -9.562 -3.061 10.520 1.00 0.00 O ATOM 944 CB GLU A 62 -12.364 -3.752 12.031 1.00 0.00 C ATOM 945 CG GLU A 62 -12.425 -5.264 12.305 1.00 0.00 C ATOM 946 CD GLU A 62 -12.905 -5.549 13.742 1.00 0.00 C ATOM 947 OE1 GLU A 62 -14.127 -5.452 14.009 1.00 0.00 O ATOM 948 OE2 GLU A 62 -12.066 -5.886 14.616 1.00 0.00 O ATOM 0 H GLU A 62 -13.703 -4.388 10.060 1.00 0.00 H new ATOM 0 HA GLU A 62 -11.933 -2.285 10.507 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -11.662 -3.298 12.731 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -13.343 -3.320 12.237 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -13.099 -5.739 11.592 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -11.439 -5.704 12.154 1.00 0.00 H new ATOM 955 N LYS A 63 -10.335 -5.013 9.704 1.00 0.00 N ATOM 956 CA LYS A 63 -9.015 -5.557 9.332 1.00 0.00 C ATOM 957 C LYS A 63 -8.366 -4.781 8.182 1.00 0.00 C ATOM 958 O LYS A 63 -7.156 -4.573 8.190 1.00 0.00 O ATOM 959 CB LYS A 63 -9.151 -7.051 8.985 1.00 0.00 C ATOM 960 CG LYS A 63 -7.922 -7.899 9.354 1.00 0.00 C ATOM 961 CD LYS A 63 -7.708 -8.033 10.874 1.00 0.00 C ATOM 962 CE LYS A 63 -6.703 -9.154 11.161 1.00 0.00 C ATOM 963 NZ LYS A 63 -6.605 -9.473 12.609 1.00 0.00 N ATOM 0 H LYS A 63 -11.110 -5.634 9.473 1.00 0.00 H new ATOM 0 HA LYS A 63 -8.352 -5.445 10.190 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -10.024 -7.454 9.499 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -9.338 -7.148 7.916 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -8.032 -8.893 8.921 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -7.034 -7.453 8.907 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -7.343 -7.091 11.283 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -8.656 -8.248 11.366 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -6.997 -10.050 10.614 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -5.721 -8.861 10.789 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -5.646 -9.812 12.826 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -6.805 -8.618 13.167 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -7.296 -10.213 12.849 1.00 0.00 H new ATOM 977 N GLN A 64 -9.172 -4.308 7.228 1.00 0.00 N ATOM 978 CA GLN A 64 -8.731 -3.355 6.200 1.00 0.00 C ATOM 979 C GLN A 64 -8.469 -1.964 6.791 1.00 0.00 C ATOM 980 O GLN A 64 -7.379 -1.435 6.591 1.00 0.00 O ATOM 981 CB GLN A 64 -9.755 -3.247 5.061 1.00 0.00 C ATOM 982 CG GLN A 64 -9.733 -4.472 4.140 1.00 0.00 C ATOM 983 CD GLN A 64 -10.570 -4.287 2.872 1.00 0.00 C ATOM 984 OE1 GLN A 64 -11.395 -3.393 2.730 1.00 0.00 O ATOM 985 NE2 GLN A 64 -10.346 -5.111 1.873 1.00 0.00 N ATOM 0 H GLN A 64 -10.153 -4.575 7.144 1.00 0.00 H new ATOM 0 HA GLN A 64 -7.795 -3.741 5.797 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -10.753 -3.130 5.483 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -9.550 -2.351 4.475 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -8.702 -4.689 3.859 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -10.103 -5.338 4.689 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -9.662 -5.861 1.974 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -10.856 -5.000 0.997 1.00 0.00 H new ATOM 994 N LYS A 65 -9.416 -1.400 7.559 1.00 0.00 N ATOM 995 CA LYS A 65 -9.274 -0.074 8.208 1.00 0.00 C ATOM 996 C LYS A 65 -7.985 0.067 9.020 1.00 0.00 C ATOM 997 O LYS A 65 -7.224 1.012 8.817 1.00 0.00 O ATOM 998 CB LYS A 65 -10.473 0.265 9.117 1.00 0.00 C ATOM 999 CG LYS A 65 -11.773 0.538 8.348 1.00 0.00 C ATOM 1000 CD LYS A 65 -12.786 1.384 9.145 1.00 0.00 C ATOM 1001 CE LYS A 65 -13.942 0.542 9.695 1.00 0.00 C ATOM 1002 NZ LYS A 65 -14.805 1.334 10.611 1.00 0.00 N ATOM 0 H LYS A 65 -10.311 -1.850 7.752 1.00 0.00 H new ATOM 0 HA LYS A 65 -9.237 0.633 7.379 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -10.637 -0.561 9.809 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -10.226 1.140 9.718 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -11.535 1.051 7.416 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -12.235 -0.412 8.080 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -12.274 1.877 9.971 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -13.185 2.169 8.503 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -14.541 0.160 8.868 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -13.543 -0.323 10.226 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -15.577 0.734 10.965 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -14.238 1.677 11.412 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -15.204 2.145 10.097 1.00 0.00 H new ATOM 1016 N GLU A 66 -7.719 -0.872 9.927 1.00 0.00 N ATOM 1017 CA GLU A 66 -6.483 -0.907 10.721 1.00 0.00 C ATOM 1018 C GLU A 66 -5.270 -1.410 9.927 1.00 0.00 C ATOM 1019 O GLU A 66 -4.139 -1.164 10.343 1.00 0.00 O ATOM 1020 CB GLU A 66 -6.681 -1.763 11.984 1.00 0.00 C ATOM 1021 CG GLU A 66 -7.669 -1.123 12.969 1.00 0.00 C ATOM 1022 CD GLU A 66 -7.706 -1.898 14.300 1.00 0.00 C ATOM 1023 OE1 GLU A 66 -6.761 -1.752 15.116 1.00 0.00 O ATOM 1024 OE2 GLU A 66 -8.682 -2.646 14.554 1.00 0.00 O ATOM 0 H GLU A 66 -8.359 -1.639 10.136 1.00 0.00 H new ATOM 0 HA GLU A 66 -6.268 0.123 11.005 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -7.044 -2.750 11.698 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -5.720 -1.907 12.478 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -7.383 -0.088 13.155 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -8.666 -1.104 12.528 1.00 0.00 H new ATOM 1031 N GLY A 67 -5.482 -2.103 8.805 1.00 0.00 N ATOM 1032 CA GLY A 67 -4.438 -2.662 7.944 1.00 0.00 C ATOM 1033 C GLY A 67 -3.821 -1.623 7.012 1.00 0.00 C ATOM 1034 O GLY A 67 -2.649 -1.285 7.160 1.00 0.00 O ATOM 0 H GLY A 67 -6.422 -2.297 8.459 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -3.655 -3.096 8.565 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -4.859 -3.472 7.349 1.00 0.00 H new ATOM 1038 N THR A 68 -4.581 -1.041 6.081 1.00 0.00 N ATOM 1039 CA THR A 68 -4.015 -0.046 5.152 1.00 0.00 C ATOM 1040 C THR A 68 -3.461 1.181 5.876 1.00 0.00 C ATOM 1041 O THR A 68 -2.426 1.697 5.463 1.00 0.00 O ATOM 1042 CB THR A 68 -5.006 0.391 4.065 1.00 0.00 C ATOM 1043 OG1 THR A 68 -6.234 0.824 4.611 1.00 0.00 O ATOM 1044 CG2 THR A 68 -5.281 -0.766 3.111 1.00 0.00 C ATOM 0 H THR A 68 -5.574 -1.233 5.947 1.00 0.00 H new ATOM 0 HA THR A 68 -3.187 -0.558 4.661 1.00 0.00 H new ATOM 0 HB THR A 68 -4.548 1.225 3.534 1.00 0.00 H new ATOM 0 HG1 THR A 68 -6.836 1.095 3.887 1.00 0.00 H new ATOM 0 HG21 THR A 68 -5.985 -0.445 2.344 1.00 0.00 H new ATOM 0 HG22 THR A 68 -4.349 -1.079 2.640 1.00 0.00 H new ATOM 0 HG23 THR A 68 -5.705 -1.602 3.666 1.00 0.00 H new ATOM 1052 N LYS A 69 -4.074 1.594 6.997 1.00 0.00 N ATOM 1053 CA LYS A 69 -3.594 2.695 7.854 1.00 0.00 C ATOM 1054 C LYS A 69 -2.196 2.444 8.438 1.00 0.00 C ATOM 1055 O LYS A 69 -1.353 3.337 8.384 1.00 0.00 O ATOM 1056 CB LYS A 69 -4.639 2.965 8.952 1.00 0.00 C ATOM 1057 CG LYS A 69 -4.318 4.221 9.780 1.00 0.00 C ATOM 1058 CD LYS A 69 -5.453 4.597 10.750 1.00 0.00 C ATOM 1059 CE LYS A 69 -5.732 3.557 11.847 1.00 0.00 C ATOM 1060 NZ LYS A 69 -4.634 3.479 12.850 1.00 0.00 N ATOM 0 H LYS A 69 -4.933 1.165 7.341 1.00 0.00 H new ATOM 0 HA LYS A 69 -3.481 3.584 7.233 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -5.621 3.078 8.493 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -4.695 2.102 9.615 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -3.402 4.054 10.346 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -4.129 5.057 9.107 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -5.208 5.548 11.224 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -6.366 4.753 10.176 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -6.665 3.808 12.352 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -5.871 2.578 11.388 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -4.870 2.764 13.568 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -3.748 3.213 12.375 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -4.517 4.405 13.309 1.00 0.00 H new ATOM 1074 N LYS A 70 -1.911 1.237 8.953 1.00 0.00 N ATOM 1075 CA LYS A 70 -0.542 0.862 9.374 1.00 0.00 C ATOM 1076 C LYS A 70 0.399 0.739 8.175 1.00 0.00 C ATOM 1077 O LYS A 70 1.530 1.217 8.226 1.00 0.00 O ATOM 1078 CB LYS A 70 -0.510 -0.395 10.282 1.00 0.00 C ATOM 1079 CG LYS A 70 -0.913 -1.726 9.617 1.00 0.00 C ATOM 1080 CD LYS A 70 -0.613 -3.021 10.380 1.00 0.00 C ATOM 1081 CE LYS A 70 -1.149 -3.033 11.815 1.00 0.00 C ATOM 1082 NZ LYS A 70 -2.635 -3.040 11.871 1.00 0.00 N ATOM 0 H LYS A 70 -2.605 0.502 9.090 1.00 0.00 H new ATOM 0 HA LYS A 70 -0.172 1.679 9.993 1.00 0.00 H new ATOM 0 HB2 LYS A 70 0.498 -0.503 10.682 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -1.172 -0.222 11.130 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -1.985 -1.692 9.421 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -0.414 -1.783 8.650 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -1.043 -3.861 9.835 1.00 0.00 H new ATOM 0 HD3 LYS A 70 0.466 -3.176 10.404 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -0.766 -3.911 12.335 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -0.773 -2.159 12.346 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -2.946 -2.861 12.847 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -3.009 -2.298 11.246 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -2.990 -3.967 11.559 1.00 0.00 H new ATOM 1096 N VAL A 71 -0.038 0.100 7.094 1.00 0.00 N ATOM 1097 CA VAL A 71 0.822 -0.246 5.946 1.00 0.00 C ATOM 1098 C VAL A 71 1.310 0.995 5.210 1.00 0.00 C ATOM 1099 O VAL A 71 2.502 1.089 4.935 1.00 0.00 O ATOM 1100 CB VAL A 71 0.091 -1.229 5.017 1.00 0.00 C ATOM 1101 CG1 VAL A 71 0.878 -1.542 3.739 1.00 0.00 C ATOM 1102 CG2 VAL A 71 -0.150 -2.538 5.784 1.00 0.00 C ATOM 0 H VAL A 71 -1.007 -0.199 6.980 1.00 0.00 H new ATOM 0 HA VAL A 71 1.717 -0.743 6.321 1.00 0.00 H new ATOM 0 HB VAL A 71 -0.845 -0.760 4.713 1.00 0.00 H new ATOM 0 HG11 VAL A 71 0.311 -2.241 3.124 1.00 0.00 H new ATOM 0 HG12 VAL A 71 1.046 -0.621 3.180 1.00 0.00 H new ATOM 0 HG13 VAL A 71 1.838 -1.987 4.002 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -0.668 -3.248 5.139 1.00 0.00 H new ATOM 0 HG22 VAL A 71 0.806 -2.960 6.093 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -0.759 -2.337 6.665 1.00 0.00 H new ATOM 1112 N LEU A 72 0.446 1.991 5.013 1.00 0.00 N ATOM 1113 CA LEU A 72 0.797 3.311 4.475 1.00 0.00 C ATOM 1114 C LEU A 72 2.009 3.927 5.182 1.00 0.00 C ATOM 1115 O LEU A 72 2.915 4.413 4.506 1.00 0.00 O ATOM 1116 CB LEU A 72 -0.480 4.178 4.484 1.00 0.00 C ATOM 1117 CG LEU A 72 -0.405 5.686 4.779 1.00 0.00 C ATOM 1118 CD1 LEU A 72 -1.757 6.265 4.378 1.00 0.00 C ATOM 1119 CD2 LEU A 72 -0.212 5.986 6.272 1.00 0.00 C ATOM 0 H LEU A 72 -0.547 1.902 5.229 1.00 0.00 H new ATOM 0 HA LEU A 72 1.138 3.231 3.443 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -0.951 4.066 3.507 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -1.159 3.741 5.217 1.00 0.00 H new ATOM 0 HG LEU A 72 0.441 6.109 4.238 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -1.763 7.339 4.566 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -1.932 6.081 3.318 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -2.544 5.790 4.963 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -0.166 7.064 6.423 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -1.049 5.576 6.837 1.00 0.00 H new ATOM 0 HD23 LEU A 72 0.716 5.531 6.618 1.00 0.00 H new ATOM 1131 N LYS A 73 2.075 3.841 6.519 1.00 0.00 N ATOM 1132 CA LYS A 73 3.140 4.454 7.325 1.00 0.00 C ATOM 1133 C LYS A 73 4.475 3.729 7.142 1.00 0.00 C ATOM 1134 O LYS A 73 5.510 4.364 6.941 1.00 0.00 O ATOM 1135 CB LYS A 73 2.701 4.450 8.801 1.00 0.00 C ATOM 1136 CG LYS A 73 3.754 4.982 9.790 1.00 0.00 C ATOM 1137 CD LYS A 73 4.288 6.393 9.503 1.00 0.00 C ATOM 1138 CE LYS A 73 3.236 7.485 9.699 1.00 0.00 C ATOM 1139 NZ LYS A 73 3.847 8.826 9.508 1.00 0.00 N ATOM 0 H LYS A 73 1.384 3.339 7.076 1.00 0.00 H new ATOM 0 HA LYS A 73 3.298 5.480 6.992 1.00 0.00 H new ATOM 0 HB2 LYS A 73 1.796 5.050 8.898 1.00 0.00 H new ATOM 0 HB3 LYS A 73 2.439 3.431 9.085 1.00 0.00 H new ATOM 0 HG2 LYS A 73 3.322 4.974 10.791 1.00 0.00 H new ATOM 0 HG3 LYS A 73 4.596 4.290 9.801 1.00 0.00 H new ATOM 0 HD2 LYS A 73 5.137 6.593 10.157 1.00 0.00 H new ATOM 0 HD3 LYS A 73 4.658 6.433 8.479 1.00 0.00 H new ATOM 0 HE2 LYS A 73 2.420 7.345 8.991 1.00 0.00 H new ATOM 0 HE3 LYS A 73 2.807 7.412 10.698 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 3.369 9.516 10.123 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 4.857 8.785 9.753 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 3.743 9.117 8.515 1.00 0.00 H new ATOM 1153 N HIS A 74 4.445 2.395 7.169 1.00 0.00 N ATOM 1154 CA HIS A 74 5.609 1.541 6.894 1.00 0.00 C ATOM 1155 C HIS A 74 6.120 1.751 5.471 1.00 0.00 C ATOM 1156 O HIS A 74 7.319 1.916 5.285 1.00 0.00 O ATOM 1157 CB HIS A 74 5.267 0.059 7.106 1.00 0.00 C ATOM 1158 CG HIS A 74 4.943 -0.319 8.527 1.00 0.00 C ATOM 1159 ND1 HIS A 74 3.702 -0.206 9.115 1.00 0.00 N ATOM 1160 CD2 HIS A 74 5.754 -0.982 9.407 1.00 0.00 C ATOM 1161 CE1 HIS A 74 3.729 -0.834 10.300 1.00 0.00 C ATOM 1162 NE2 HIS A 74 4.983 -1.280 10.521 1.00 0.00 N ATOM 0 H HIS A 74 3.600 1.867 7.386 1.00 0.00 H new ATOM 0 HA HIS A 74 6.394 1.825 7.595 1.00 0.00 H new ATOM 0 HB2 HIS A 74 4.416 -0.197 6.474 1.00 0.00 H new ATOM 0 HB3 HIS A 74 6.109 -0.545 6.767 1.00 0.00 H new ATOM 0 HD1 HIS A 74 2.896 0.275 8.715 1.00 0.00 H new ATOM 0 HD2 HIS A 74 6.796 -1.227 9.262 1.00 0.00 H new ATOM 0 HE1 HIS A 74 2.888 -0.961 10.966 1.00 0.00 H new ATOM 1171 N LEU A 75 5.234 1.794 4.476 1.00 0.00 N ATOM 1172 CA LEU A 75 5.604 1.978 3.071 1.00 0.00 C ATOM 1173 C LEU A 75 6.330 3.317 2.858 1.00 0.00 C ATOM 1174 O LEU A 75 7.389 3.331 2.240 1.00 0.00 O ATOM 1175 CB LEU A 75 4.340 1.909 2.192 1.00 0.00 C ATOM 1176 CG LEU A 75 4.125 0.559 1.489 1.00 0.00 C ATOM 1177 CD1 LEU A 75 4.259 -0.646 2.426 1.00 0.00 C ATOM 1178 CD2 LEU A 75 2.745 0.567 0.830 1.00 0.00 C ATOM 0 H LEU A 75 4.229 1.701 4.623 1.00 0.00 H new ATOM 0 HA LEU A 75 6.289 1.180 2.785 1.00 0.00 H new ATOM 0 HB2 LEU A 75 3.470 2.124 2.812 1.00 0.00 H new ATOM 0 HB3 LEU A 75 4.395 2.693 1.437 1.00 0.00 H new ATOM 0 HG LEU A 75 4.913 0.446 0.744 1.00 0.00 H new ATOM 0 HD11 LEU A 75 4.095 -1.565 1.863 1.00 0.00 H new ATOM 0 HD12 LEU A 75 5.259 -0.660 2.860 1.00 0.00 H new ATOM 0 HD13 LEU A 75 3.519 -0.572 3.223 1.00 0.00 H new ATOM 0 HD21 LEU A 75 2.577 -0.385 0.326 1.00 0.00 H new ATOM 0 HD22 LEU A 75 1.979 0.715 1.591 1.00 0.00 H new ATOM 0 HD23 LEU A 75 2.694 1.377 0.102 1.00 0.00 H new ATOM 1190 N ILE A 76 5.824 4.429 3.412 1.00 0.00 N ATOM 1191 CA ILE A 76 6.516 5.730 3.329 1.00 0.00 C ATOM 1192 C ILE A 76 7.850 5.730 4.099 1.00 0.00 C ATOM 1193 O ILE A 76 8.830 6.299 3.624 1.00 0.00 O ATOM 1194 CB ILE A 76 5.557 6.893 3.701 1.00 0.00 C ATOM 1195 CG1 ILE A 76 6.095 8.291 3.352 1.00 0.00 C ATOM 1196 CG2 ILE A 76 5.030 6.921 5.141 1.00 0.00 C ATOM 1197 CD1 ILE A 76 6.933 8.983 4.439 1.00 0.00 C ATOM 0 H ILE A 76 4.941 4.457 3.922 1.00 0.00 H new ATOM 0 HA ILE A 76 6.803 5.903 2.292 1.00 0.00 H new ATOM 0 HB ILE A 76 4.710 6.651 3.059 1.00 0.00 H new ATOM 0 HG12 ILE A 76 6.702 8.210 2.450 1.00 0.00 H new ATOM 0 HG13 ILE A 76 5.249 8.934 3.110 1.00 0.00 H new ATOM 0 HG21 ILE A 76 4.372 7.780 5.271 1.00 0.00 H new ATOM 0 HG22 ILE A 76 4.475 6.005 5.343 1.00 0.00 H new ATOM 0 HG23 ILE A 76 5.868 6.997 5.834 1.00 0.00 H new ATOM 0 HD11 ILE A 76 7.257 9.960 4.081 1.00 0.00 H new ATOM 0 HD12 ILE A 76 6.330 9.108 5.339 1.00 0.00 H new ATOM 0 HD13 ILE A 76 7.806 8.373 4.669 1.00 0.00 H new ATOM 1209 N ASN A 77 7.937 5.032 5.241 1.00 0.00 N ATOM 1210 CA ASN A 77 9.180 4.905 6.021 1.00 0.00 C ATOM 1211 C ASN A 77 10.260 4.024 5.354 1.00 0.00 C ATOM 1212 O ASN A 77 11.447 4.337 5.442 1.00 0.00 O ATOM 1213 CB ASN A 77 8.846 4.369 7.429 1.00 0.00 C ATOM 1214 CG ASN A 77 8.547 5.496 8.399 1.00 0.00 C ATOM 1215 OD1 ASN A 77 9.393 5.891 9.187 1.00 0.00 O ATOM 1216 ND2 ASN A 77 7.368 6.072 8.346 1.00 0.00 N ATOM 0 H ASN A 77 7.145 4.538 5.652 1.00 0.00 H new ATOM 0 HA ASN A 77 9.614 5.903 6.080 1.00 0.00 H new ATOM 0 HB2 ASN A 77 7.987 3.701 7.370 1.00 0.00 H new ATOM 0 HB3 ASN A 77 9.683 3.779 7.802 1.00 0.00 H new ATOM 0 HD21 ASN A 77 7.154 6.854 8.965 1.00 0.00 H new ATOM 0 HD22 ASN A 77 6.666 5.737 7.686 1.00 0.00 H new ATOM 1223 N HIS A 78 9.858 2.928 4.700 1.00 0.00 N ATOM 1224 CA HIS A 78 10.760 1.862 4.208 1.00 0.00 C ATOM 1225 C HIS A 78 10.949 1.817 2.688 1.00 0.00 C ATOM 1226 O HIS A 78 11.987 1.351 2.214 1.00 0.00 O ATOM 1227 CB HIS A 78 10.234 0.496 4.667 1.00 0.00 C ATOM 1228 CG HIS A 78 10.395 0.249 6.151 1.00 0.00 C ATOM 1229 ND1 HIS A 78 11.590 -0.018 6.796 1.00 0.00 N ATOM 1230 CD2 HIS A 78 9.403 0.253 7.098 1.00 0.00 C ATOM 1231 CE1 HIS A 78 11.334 -0.167 8.110 1.00 0.00 C ATOM 1232 NE2 HIS A 78 10.011 -0.003 8.318 1.00 0.00 N ATOM 0 H HIS A 78 8.876 2.747 4.490 1.00 0.00 H new ATOM 0 HA HIS A 78 11.736 2.097 4.632 1.00 0.00 H new ATOM 0 HB2 HIS A 78 9.178 0.417 4.407 1.00 0.00 H new ATOM 0 HB3 HIS A 78 10.757 -0.288 4.119 1.00 0.00 H new ATOM 0 HD2 HIS A 78 8.350 0.423 6.927 1.00 0.00 H new ATOM 0 HE1 HIS A 78 12.068 -0.383 8.873 1.00 0.00 H new ATOM 0 HE2 HIS A 78 9.538 -0.058 9.220 1.00 0.00 H new ATOM 1241 N LYS A 79 9.975 2.315 1.928 1.00 0.00 N ATOM 1242 CA LYS A 79 9.999 2.439 0.463 1.00 0.00 C ATOM 1243 C LYS A 79 9.616 3.863 0.027 1.00 0.00 C ATOM 1244 O LYS A 79 8.712 4.016 -0.788 1.00 0.00 O ATOM 1245 CB LYS A 79 9.144 1.314 -0.178 1.00 0.00 C ATOM 1246 CG LYS A 79 9.869 -0.024 -0.402 1.00 0.00 C ATOM 1247 CD LYS A 79 10.812 -0.029 -1.621 1.00 0.00 C ATOM 1248 CE LYS A 79 12.094 0.767 -1.358 1.00 0.00 C ATOM 1249 NZ LYS A 79 13.120 0.601 -2.418 1.00 0.00 N ATOM 0 H LYS A 79 9.104 2.661 2.332 1.00 0.00 H new ATOM 0 HA LYS A 79 11.013 2.294 0.091 1.00 0.00 H new ATOM 0 HB2 LYS A 79 8.276 1.135 0.457 1.00 0.00 H new ATOM 0 HB3 LYS A 79 8.769 1.669 -1.138 1.00 0.00 H new ATOM 0 HG2 LYS A 79 10.445 -0.268 0.491 1.00 0.00 H new ATOM 0 HG3 LYS A 79 9.126 -0.812 -0.527 1.00 0.00 H new ATOM 0 HD2 LYS A 79 11.069 -1.057 -1.876 1.00 0.00 H new ATOM 0 HD3 LYS A 79 10.294 0.393 -2.482 1.00 0.00 H new ATOM 0 HE2 LYS A 79 11.844 1.824 -1.267 1.00 0.00 H new ATOM 0 HE3 LYS A 79 12.516 0.456 -0.402 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 14.060 0.515 -1.981 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 12.914 -0.257 -2.969 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 13.106 1.429 -3.048 1.00 0.00 H new ATOM 1263 N PRO A 80 10.296 4.912 0.531 1.00 0.00 N ATOM 1264 CA PRO A 80 9.962 6.315 0.238 1.00 0.00 C ATOM 1265 C PRO A 80 10.006 6.627 -1.269 1.00 0.00 C ATOM 1266 O PRO A 80 9.128 7.298 -1.810 1.00 0.00 O ATOM 1267 CB PRO A 80 10.994 7.140 1.019 1.00 0.00 C ATOM 1268 CG PRO A 80 12.187 6.197 1.170 1.00 0.00 C ATOM 1269 CD PRO A 80 11.539 4.822 1.287 1.00 0.00 C ATOM 0 HA PRO A 80 8.940 6.550 0.536 1.00 0.00 H new ATOM 0 HB2 PRO A 80 11.269 8.047 0.481 1.00 0.00 H new ATOM 0 HB3 PRO A 80 10.605 7.450 1.989 1.00 0.00 H new ATOM 0 HG2 PRO A 80 12.855 6.254 0.311 1.00 0.00 H new ATOM 0 HG3 PRO A 80 12.780 6.438 2.052 1.00 0.00 H new ATOM 0 HD2 PRO A 80 12.189 4.046 0.883 1.00 0.00 H new ATOM 0 HD3 PRO A 80 11.347 4.566 2.329 1.00 0.00 H new ATOM 1277 N ASP A 81 11.006 6.076 -1.956 1.00 0.00 N ATOM 1278 CA ASP A 81 11.212 6.128 -3.406 1.00 0.00 C ATOM 1279 C ASP A 81 10.046 5.553 -4.236 1.00 0.00 C ATOM 1280 O ASP A 81 9.648 6.160 -5.232 1.00 0.00 O ATOM 1281 CB ASP A 81 12.540 5.413 -3.742 1.00 0.00 C ATOM 1282 CG ASP A 81 12.645 3.975 -3.193 1.00 0.00 C ATOM 1283 OD1 ASP A 81 12.565 3.798 -1.956 1.00 0.00 O ATOM 1284 OD2 ASP A 81 12.818 3.015 -3.979 1.00 0.00 O ATOM 0 H ASP A 81 11.741 5.548 -1.487 1.00 0.00 H new ATOM 0 HA ASP A 81 11.257 7.180 -3.688 1.00 0.00 H new ATOM 0 HB2 ASP A 81 12.660 5.385 -4.825 1.00 0.00 H new ATOM 0 HB3 ASP A 81 13.367 6.002 -3.345 1.00 0.00 H new ATOM 1289 N VAL A 82 9.474 4.410 -3.834 1.00 0.00 N ATOM 1290 CA VAL A 82 8.303 3.807 -4.503 1.00 0.00 C ATOM 1291 C VAL A 82 6.985 4.418 -4.016 1.00 0.00 C ATOM 1292 O VAL A 82 6.064 4.629 -4.804 1.00 0.00 O ATOM 1293 CB VAL A 82 8.287 2.279 -4.333 1.00 0.00 C ATOM 1294 CG1 VAL A 82 7.060 1.654 -4.997 1.00 0.00 C ATOM 1295 CG2 VAL A 82 9.539 1.649 -4.952 1.00 0.00 C ATOM 0 H VAL A 82 9.808 3.873 -3.034 1.00 0.00 H new ATOM 0 HA VAL A 82 8.397 4.032 -5.565 1.00 0.00 H new ATOM 0 HB VAL A 82 8.259 2.083 -3.261 1.00 0.00 H new ATOM 0 HG11 VAL A 82 7.081 0.573 -4.857 1.00 0.00 H new ATOM 0 HG12 VAL A 82 6.155 2.060 -4.545 1.00 0.00 H new ATOM 0 HG13 VAL A 82 7.067 1.882 -6.063 1.00 0.00 H new ATOM 0 HG21 VAL A 82 9.506 0.568 -4.820 1.00 0.00 H new ATOM 0 HG22 VAL A 82 9.576 1.883 -6.016 1.00 0.00 H new ATOM 0 HG23 VAL A 82 10.427 2.047 -4.462 1.00 0.00 H new ATOM 1305 N TRP A 83 6.890 4.766 -2.734 1.00 0.00 N ATOM 1306 CA TRP A 83 5.763 5.495 -2.154 1.00 0.00 C ATOM 1307 C TRP A 83 5.445 6.791 -2.915 1.00 0.00 C ATOM 1308 O TRP A 83 4.274 7.063 -3.175 1.00 0.00 O ATOM 1309 CB TRP A 83 6.059 5.781 -0.679 1.00 0.00 C ATOM 1310 CG TRP A 83 5.251 6.900 -0.119 1.00 0.00 C ATOM 1311 CD1 TRP A 83 5.702 8.155 0.060 1.00 0.00 C ATOM 1312 CD2 TRP A 83 3.829 6.939 0.187 1.00 0.00 C ATOM 1313 NE1 TRP A 83 4.678 8.955 0.512 1.00 0.00 N ATOM 1314 CE2 TRP A 83 3.484 8.268 0.580 1.00 0.00 C ATOM 1315 CE3 TRP A 83 2.794 5.986 0.133 1.00 0.00 C ATOM 1316 CZ2 TRP A 83 2.170 8.629 0.910 1.00 0.00 C ATOM 1317 CZ3 TRP A 83 1.465 6.347 0.413 1.00 0.00 C ATOM 1318 CH2 TRP A 83 1.158 7.662 0.803 1.00 0.00 C ATOM 0 H TRP A 83 7.614 4.543 -2.051 1.00 0.00 H new ATOM 0 HA TRP A 83 4.874 4.870 -2.238 1.00 0.00 H new ATOM 0 HB2 TRP A 83 5.870 4.879 -0.097 1.00 0.00 H new ATOM 0 HB3 TRP A 83 7.118 6.016 -0.568 1.00 0.00 H new ATOM 0 HD1 TRP A 83 6.714 8.484 -0.123 1.00 0.00 H new ATOM 0 HE1 TRP A 83 4.788 9.937 0.766 1.00 0.00 H new ATOM 0 HE3 TRP A 83 3.025 4.963 -0.127 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 1.941 9.631 1.240 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 0.678 5.612 0.328 1.00 0.00 H new ATOM 0 HH2 TRP A 83 0.135 7.931 1.022 1.00 0.00 H new ATOM 1329 N ALA A 84 6.456 7.551 -3.353 1.00 0.00 N ATOM 1330 CA ALA A 84 6.259 8.734 -4.194 1.00 0.00 C ATOM 1331 C ALA A 84 5.448 8.440 -5.474 1.00 0.00 C ATOM 1332 O ALA A 84 4.684 9.288 -5.927 1.00 0.00 O ATOM 1333 CB ALA A 84 7.629 9.332 -4.518 1.00 0.00 C ATOM 0 H ALA A 84 7.434 7.361 -3.133 1.00 0.00 H new ATOM 0 HA ALA A 84 5.659 9.455 -3.639 1.00 0.00 H new ATOM 0 HB1 ALA A 84 7.502 10.215 -5.144 1.00 0.00 H new ATOM 0 HB2 ALA A 84 8.131 9.613 -3.592 1.00 0.00 H new ATOM 0 HB3 ALA A 84 8.232 8.595 -5.048 1.00 0.00 H new ATOM 1339 N GLN A 85 5.559 7.228 -6.029 1.00 0.00 N ATOM 1340 CA GLN A 85 4.803 6.769 -7.204 1.00 0.00 C ATOM 1341 C GLN A 85 3.332 6.480 -6.855 1.00 0.00 C ATOM 1342 O GLN A 85 2.438 6.782 -7.648 1.00 0.00 O ATOM 1343 CB GLN A 85 5.473 5.520 -7.819 1.00 0.00 C ATOM 1344 CG GLN A 85 7.003 5.667 -7.854 1.00 0.00 C ATOM 1345 CD GLN A 85 7.732 4.558 -8.596 1.00 0.00 C ATOM 1346 OE1 GLN A 85 7.973 3.482 -8.068 1.00 0.00 O ATOM 1347 NE2 GLN A 85 8.155 4.780 -9.820 1.00 0.00 N ATOM 0 H GLN A 85 6.194 6.518 -5.664 1.00 0.00 H new ATOM 0 HA GLN A 85 4.812 7.572 -7.941 1.00 0.00 H new ATOM 0 HB2 GLN A 85 5.204 4.637 -7.239 1.00 0.00 H new ATOM 0 HB3 GLN A 85 5.097 5.364 -8.830 1.00 0.00 H new ATOM 0 HG2 GLN A 85 7.252 6.621 -8.319 1.00 0.00 H new ATOM 0 HG3 GLN A 85 7.374 5.705 -6.830 1.00 0.00 H new ATOM 0 HE21 GLN A 85 7.961 5.673 -10.273 1.00 0.00 H new ATOM 0 HE22 GLN A 85 8.677 4.059 -10.318 1.00 0.00 H new ATOM 1356 N LEU A 86 3.081 5.958 -5.646 1.00 0.00 N ATOM 1357 CA LEU A 86 1.732 5.793 -5.073 1.00 0.00 C ATOM 1358 C LEU A 86 1.063 7.163 -4.906 1.00 0.00 C ATOM 1359 O LEU A 86 0.106 7.467 -5.620 1.00 0.00 O ATOM 1360 CB LEU A 86 1.813 5.043 -3.715 1.00 0.00 C ATOM 1361 CG LEU A 86 0.527 4.456 -3.098 1.00 0.00 C ATOM 1362 CD1 LEU A 86 -0.475 5.522 -2.657 1.00 0.00 C ATOM 1363 CD2 LEU A 86 -0.167 3.459 -4.022 1.00 0.00 C ATOM 0 H LEU A 86 3.822 5.632 -5.025 1.00 0.00 H new ATOM 0 HA LEU A 86 1.125 5.195 -5.753 1.00 0.00 H new ATOM 0 HB2 LEU A 86 2.522 4.224 -3.835 1.00 0.00 H new ATOM 0 HB3 LEU A 86 2.241 5.731 -2.986 1.00 0.00 H new ATOM 0 HG LEU A 86 0.870 3.928 -2.208 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -1.356 5.040 -2.232 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -0.016 6.165 -1.906 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -0.770 6.123 -3.518 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -1.066 3.078 -3.537 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -0.440 3.955 -4.953 1.00 0.00 H new ATOM 0 HD23 LEU A 86 0.508 2.631 -4.237 1.00 0.00 H new ATOM 1375 N LYS A 87 1.606 8.026 -4.032 1.00 0.00 N ATOM 1376 CA LYS A 87 0.995 9.322 -3.682 1.00 0.00 C ATOM 1377 C LYS A 87 0.841 10.268 -4.875 1.00 0.00 C ATOM 1378 O LYS A 87 -0.085 11.065 -4.901 1.00 0.00 O ATOM 1379 CB LYS A 87 1.717 10.025 -2.521 1.00 0.00 C ATOM 1380 CG LYS A 87 3.245 10.068 -2.643 1.00 0.00 C ATOM 1381 CD LYS A 87 3.873 11.340 -2.062 1.00 0.00 C ATOM 1382 CE LYS A 87 3.823 12.458 -3.112 1.00 0.00 C ATOM 1383 NZ LYS A 87 4.299 13.757 -2.569 1.00 0.00 N ATOM 0 H LYS A 87 2.484 7.845 -3.546 1.00 0.00 H new ATOM 0 HA LYS A 87 -0.011 9.069 -3.346 1.00 0.00 H new ATOM 0 HB2 LYS A 87 1.344 11.046 -2.446 1.00 0.00 H new ATOM 0 HB3 LYS A 87 1.455 9.521 -1.591 1.00 0.00 H new ATOM 0 HG2 LYS A 87 3.666 9.201 -2.135 1.00 0.00 H new ATOM 0 HG3 LYS A 87 3.519 9.985 -3.695 1.00 0.00 H new ATOM 0 HD2 LYS A 87 3.337 11.646 -1.163 1.00 0.00 H new ATOM 0 HD3 LYS A 87 4.905 11.148 -1.768 1.00 0.00 H new ATOM 0 HE2 LYS A 87 4.436 12.178 -3.969 1.00 0.00 H new ATOM 0 HE3 LYS A 87 2.801 12.570 -3.474 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 4.248 14.483 -3.312 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 3.699 14.039 -1.767 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 5.283 13.659 -2.247 1.00 0.00 H new ATOM 1397 N ALA A 88 1.710 10.185 -5.877 1.00 0.00 N ATOM 1398 CA ALA A 88 1.635 11.033 -7.073 1.00 0.00 C ATOM 1399 C ALA A 88 0.386 10.739 -7.922 1.00 0.00 C ATOM 1400 O ALA A 88 -0.326 11.663 -8.324 1.00 0.00 O ATOM 1401 CB ALA A 88 2.904 10.841 -7.905 1.00 0.00 C ATOM 0 H ALA A 88 2.490 9.528 -5.888 1.00 0.00 H new ATOM 0 HA ALA A 88 1.555 12.070 -6.747 1.00 0.00 H new ATOM 0 HB1 ALA A 88 2.854 11.468 -8.795 1.00 0.00 H new ATOM 0 HB2 ALA A 88 3.774 11.122 -7.311 1.00 0.00 H new ATOM 0 HB3 ALA A 88 2.989 9.796 -8.202 1.00 0.00 H new ATOM 1407 N LYS A 89 0.100 9.453 -8.165 1.00 0.00 N ATOM 1408 CA LYS A 89 -1.101 9.003 -8.883 1.00 0.00 C ATOM 1409 C LYS A 89 -2.359 9.109 -8.011 1.00 0.00 C ATOM 1410 O LYS A 89 -3.427 9.467 -8.507 1.00 0.00 O ATOM 1411 CB LYS A 89 -0.856 7.564 -9.374 1.00 0.00 C ATOM 1412 CG LYS A 89 -1.956 7.074 -10.327 1.00 0.00 C ATOM 1413 CD LYS A 89 -1.605 5.696 -10.910 1.00 0.00 C ATOM 1414 CE LYS A 89 -2.697 5.155 -11.845 1.00 0.00 C ATOM 1415 NZ LYS A 89 -2.814 5.940 -13.103 1.00 0.00 N ATOM 0 H LYS A 89 0.703 8.687 -7.865 1.00 0.00 H new ATOM 0 HA LYS A 89 -1.282 9.652 -9.740 1.00 0.00 H new ATOM 0 HB2 LYS A 89 0.108 7.515 -9.881 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -0.799 6.895 -8.515 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -2.905 7.016 -9.794 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -2.088 7.792 -11.136 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -0.665 5.766 -11.457 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -1.447 4.990 -10.095 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -2.479 4.115 -12.089 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -3.654 5.166 -11.324 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -3.564 5.533 -13.697 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -3.049 6.927 -12.876 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -1.910 5.909 -13.617 1.00 0.00 H new ATOM 1429 N TYR A 90 -2.227 8.808 -6.718 1.00 0.00 N ATOM 1430 CA TYR A 90 -3.340 8.727 -5.766 1.00 0.00 C ATOM 1431 C TYR A 90 -3.729 10.086 -5.146 1.00 0.00 C ATOM 1432 O TYR A 90 -4.843 10.223 -4.639 1.00 0.00 O ATOM 1433 CB TYR A 90 -2.995 7.692 -4.675 1.00 0.00 C ATOM 1434 CG TYR A 90 -3.204 6.221 -5.040 1.00 0.00 C ATOM 1435 CD1 TYR A 90 -3.108 5.739 -6.366 1.00 0.00 C ATOM 1436 CD2 TYR A 90 -3.470 5.308 -4.002 1.00 0.00 C ATOM 1437 CE1 TYR A 90 -3.284 4.370 -6.648 1.00 0.00 C ATOM 1438 CE2 TYR A 90 -3.611 3.934 -4.276 1.00 0.00 C ATOM 1439 CZ TYR A 90 -3.543 3.461 -5.602 1.00 0.00 C ATOM 1440 OH TYR A 90 -3.735 2.141 -5.875 1.00 0.00 O ATOM 0 H TYR A 90 -1.322 8.609 -6.292 1.00 0.00 H new ATOM 0 HA TYR A 90 -4.222 8.407 -6.321 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -1.951 7.829 -4.393 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -3.595 7.913 -3.793 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -2.898 6.428 -7.171 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -3.567 5.664 -2.987 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -3.220 4.017 -7.667 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -3.772 3.239 -3.465 1.00 0.00 H new ATOM 0 HH TYR A 90 -4.278 1.736 -5.167 1.00 0.00 H new ATOM 1450 N ASP A 91 -2.851 11.094 -5.200 1.00 0.00 N ATOM 1451 CA ASP A 91 -3.035 12.416 -4.582 1.00 0.00 C ATOM 1452 C ASP A 91 -2.240 13.511 -5.340 1.00 0.00 C ATOM 1453 O ASP A 91 -1.188 13.967 -4.874 1.00 0.00 O ATOM 1454 CB ASP A 91 -2.626 12.350 -3.101 1.00 0.00 C ATOM 1455 CG ASP A 91 -2.985 13.628 -2.317 1.00 0.00 C ATOM 1456 OD1 ASP A 91 -3.602 14.563 -2.883 1.00 0.00 O ATOM 1457 OD2 ASP A 91 -2.609 13.694 -1.122 1.00 0.00 O ATOM 0 H ASP A 91 -1.961 11.011 -5.692 1.00 0.00 H new ATOM 0 HA ASP A 91 -4.088 12.691 -4.645 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -3.114 11.495 -2.633 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -1.551 12.180 -3.034 1.00 0.00 H new ATOM 1462 N PRO A 92 -2.701 13.938 -6.533 1.00 0.00 N ATOM 1463 CA PRO A 92 -1.952 14.828 -7.430 1.00 0.00 C ATOM 1464 C PRO A 92 -1.699 16.251 -6.888 1.00 0.00 C ATOM 1465 O PRO A 92 -0.932 17.005 -7.492 1.00 0.00 O ATOM 1466 CB PRO A 92 -2.753 14.848 -8.739 1.00 0.00 C ATOM 1467 CG PRO A 92 -4.178 14.553 -8.282 1.00 0.00 C ATOM 1468 CD PRO A 92 -3.969 13.562 -7.142 1.00 0.00 C ATOM 0 HA PRO A 92 -0.940 14.444 -7.557 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -2.683 15.814 -9.239 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -2.393 14.098 -9.443 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -4.690 15.455 -7.945 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -4.780 14.126 -9.084 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -4.784 13.616 -6.420 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -3.939 12.537 -7.512 1.00 0.00 H new ATOM 1476 N ASP A 93 -2.297 16.623 -5.750 1.00 0.00 N ATOM 1477 CA ASP A 93 -2.089 17.903 -5.053 1.00 0.00 C ATOM 1478 C ASP A 93 -1.433 17.744 -3.661 1.00 0.00 C ATOM 1479 O ASP A 93 -1.109 18.741 -3.010 1.00 0.00 O ATOM 1480 CB ASP A 93 -3.434 18.641 -4.953 1.00 0.00 C ATOM 1481 CG ASP A 93 -3.926 19.141 -6.322 1.00 0.00 C ATOM 1482 OD1 ASP A 93 -3.384 20.156 -6.825 1.00 0.00 O ATOM 1483 OD2 ASP A 93 -4.871 18.542 -6.892 1.00 0.00 O ATOM 0 H ASP A 93 -2.965 16.020 -5.269 1.00 0.00 H new ATOM 0 HA ASP A 93 -1.382 18.490 -5.639 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -4.181 17.975 -4.522 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -3.332 19.488 -4.274 1.00 0.00 H new ATOM 1488 N GLY A 94 -1.212 16.507 -3.198 1.00 0.00 N ATOM 1489 CA GLY A 94 -0.656 16.188 -1.873 1.00 0.00 C ATOM 1490 C GLY A 94 -1.544 16.583 -0.679 1.00 0.00 C ATOM 1491 O GLY A 94 -1.053 16.635 0.453 1.00 0.00 O ATOM 0 H GLY A 94 -1.421 15.675 -3.750 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -0.465 15.116 -1.825 1.00 0.00 H new ATOM 0 HA3 GLY A 94 0.307 16.688 -1.770 1.00 0.00 H new ATOM 1495 N THR A 95 -2.821 16.904 -0.911 1.00 0.00 N ATOM 1496 CA THR A 95 -3.744 17.543 0.047 1.00 0.00 C ATOM 1497 C THR A 95 -3.985 16.730 1.326 1.00 0.00 C ATOM 1498 O THR A 95 -4.258 17.315 2.377 1.00 0.00 O ATOM 1499 CB THR A 95 -5.090 17.840 -0.641 1.00 0.00 C ATOM 1500 OG1 THR A 95 -4.874 18.534 -1.855 1.00 0.00 O ATOM 1501 CG2 THR A 95 -6.039 18.711 0.188 1.00 0.00 C ATOM 0 H THR A 95 -3.264 16.719 -1.811 1.00 0.00 H new ATOM 0 HA THR A 95 -3.258 18.466 0.362 1.00 0.00 H new ATOM 0 HB THR A 95 -5.549 16.862 -0.787 1.00 0.00 H new ATOM 0 HG1 THR A 95 -5.735 18.716 -2.285 1.00 0.00 H new ATOM 0 HG21 THR A 95 -6.963 18.873 -0.367 1.00 0.00 H new ATOM 0 HG22 THR A 95 -6.265 18.209 1.129 1.00 0.00 H new ATOM 0 HG23 THR A 95 -5.566 19.671 0.393 1.00 0.00 H new ATOM 1509 N TYR A 96 -3.834 15.403 1.275 1.00 0.00 N ATOM 1510 CA TYR A 96 -3.985 14.507 2.432 1.00 0.00 C ATOM 1511 C TYR A 96 -2.775 13.591 2.647 1.00 0.00 C ATOM 1512 O TYR A 96 -2.505 13.221 3.789 1.00 0.00 O ATOM 1513 CB TYR A 96 -5.296 13.708 2.349 1.00 0.00 C ATOM 1514 CG TYR A 96 -5.726 13.351 0.945 1.00 0.00 C ATOM 1515 CD1 TYR A 96 -5.114 12.282 0.265 1.00 0.00 C ATOM 1516 CD2 TYR A 96 -6.686 14.151 0.295 1.00 0.00 C ATOM 1517 CE1 TYR A 96 -5.481 12.006 -1.063 1.00 0.00 C ATOM 1518 CE2 TYR A 96 -7.035 13.888 -1.040 1.00 0.00 C ATOM 1519 CZ TYR A 96 -6.437 12.807 -1.724 1.00 0.00 C ATOM 1520 OH TYR A 96 -6.772 12.543 -3.017 1.00 0.00 O ATOM 0 H TYR A 96 -3.599 14.910 0.414 1.00 0.00 H new ATOM 0 HA TYR A 96 -4.035 15.147 3.313 1.00 0.00 H new ATOM 0 HB2 TYR A 96 -5.184 12.790 2.925 1.00 0.00 H new ATOM 0 HB3 TYR A 96 -6.090 14.286 2.822 1.00 0.00 H new ATOM 0 HD1 TYR A 96 -4.368 11.678 0.760 1.00 0.00 H new ATOM 0 HD2 TYR A 96 -7.154 14.968 0.824 1.00 0.00 H new ATOM 0 HE1 TYR A 96 -5.028 11.174 -1.582 1.00 0.00 H new ATOM 0 HE2 TYR A 96 -7.760 14.512 -1.542 1.00 0.00 H new ATOM 0 HH TYR A 96 -7.445 13.189 -3.319 1.00 0.00 H new ATOM 1530 N SER A 97 -1.990 13.286 1.609 1.00 0.00 N ATOM 1531 CA SER A 97 -0.788 12.447 1.733 1.00 0.00 C ATOM 1532 C SER A 97 0.262 13.049 2.673 1.00 0.00 C ATOM 1533 O SER A 97 0.878 12.339 3.472 1.00 0.00 O ATOM 1534 CB SER A 97 -0.157 12.183 0.366 1.00 0.00 C ATOM 1535 OG SER A 97 -1.084 11.526 -0.468 1.00 0.00 O ATOM 0 H SER A 97 -2.167 13.612 0.659 1.00 0.00 H new ATOM 0 HA SER A 97 -1.123 11.505 2.168 1.00 0.00 H new ATOM 0 HB2 SER A 97 0.153 13.123 -0.089 1.00 0.00 H new ATOM 0 HB3 SER A 97 0.739 11.573 0.480 1.00 0.00 H new ATOM 0 HG SER A 97 -1.815 12.139 -0.691 1.00 0.00 H new ATOM 1541 N LYS A 98 0.432 14.379 2.626 1.00 0.00 N ATOM 1542 CA LYS A 98 1.388 15.123 3.462 1.00 0.00 C ATOM 1543 C LYS A 98 1.157 14.969 4.971 1.00 0.00 C ATOM 1544 O LYS A 98 2.121 15.062 5.728 1.00 0.00 O ATOM 1545 CB LYS A 98 1.402 16.604 3.050 1.00 0.00 C ATOM 1546 CG LYS A 98 2.116 16.794 1.699 1.00 0.00 C ATOM 1547 CD LYS A 98 2.229 18.267 1.280 1.00 0.00 C ATOM 1548 CE LYS A 98 3.164 19.050 2.213 1.00 0.00 C ATOM 1549 NZ LYS A 98 3.352 20.452 1.754 1.00 0.00 N ATOM 0 H LYS A 98 -0.100 14.979 1.995 1.00 0.00 H new ATOM 0 HA LYS A 98 2.367 14.680 3.279 1.00 0.00 H new ATOM 0 HB2 LYS A 98 0.380 16.976 2.981 1.00 0.00 H new ATOM 0 HB3 LYS A 98 1.904 17.194 3.817 1.00 0.00 H new ATOM 0 HG2 LYS A 98 3.115 16.362 1.759 1.00 0.00 H new ATOM 0 HG3 LYS A 98 1.576 16.244 0.929 1.00 0.00 H new ATOM 0 HD2 LYS A 98 2.601 18.327 0.257 1.00 0.00 H new ATOM 0 HD3 LYS A 98 1.240 18.725 1.287 1.00 0.00 H new ATOM 0 HE2 LYS A 98 2.754 19.050 3.223 1.00 0.00 H new ATOM 0 HE3 LYS A 98 4.131 18.550 2.262 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 3.989 20.949 2.409 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 3.767 20.452 0.800 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 2.432 20.936 1.732 1.00 0.00 H new ATOM 1563 N LYS A 99 -0.072 14.657 5.412 1.00 0.00 N ATOM 1564 CA LYS A 99 -0.444 14.457 6.832 1.00 0.00 C ATOM 1565 C LYS A 99 0.401 13.403 7.565 1.00 0.00 C ATOM 1566 O LYS A 99 0.547 13.487 8.785 1.00 0.00 O ATOM 1567 CB LYS A 99 -1.940 14.132 6.948 1.00 0.00 C ATOM 1568 CG LYS A 99 -2.813 15.302 6.456 1.00 0.00 C ATOM 1569 CD LYS A 99 -4.301 15.104 6.771 1.00 0.00 C ATOM 1570 CE LYS A 99 -4.541 15.207 8.284 1.00 0.00 C ATOM 1571 NZ LYS A 99 -5.984 15.093 8.623 1.00 0.00 N ATOM 0 H LYS A 99 -0.860 14.532 4.777 1.00 0.00 H new ATOM 0 HA LYS A 99 -0.229 15.400 7.334 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -2.165 13.239 6.365 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -2.185 13.906 7.986 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -2.468 16.227 6.918 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -2.686 15.417 5.380 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -4.894 15.855 6.249 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -4.630 14.130 6.409 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -3.984 14.421 8.795 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -4.156 16.159 8.649 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -6.106 15.167 9.653 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -6.512 15.858 8.156 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -6.346 14.174 8.297 1.00 0.00 H new ATOM 1585 N TYR A 100 0.980 12.447 6.834 1.00 0.00 N ATOM 1586 CA TYR A 100 1.822 11.366 7.370 1.00 0.00 C ATOM 1587 C TYR A 100 3.133 11.155 6.591 1.00 0.00 C ATOM 1588 O TYR A 100 4.076 10.600 7.157 1.00 0.00 O ATOM 1589 CB TYR A 100 0.990 10.077 7.475 1.00 0.00 C ATOM 1590 CG TYR A 100 0.123 9.843 6.262 1.00 0.00 C ATOM 1591 CD1 TYR A 100 0.647 9.180 5.139 1.00 0.00 C ATOM 1592 CD2 TYR A 100 -1.170 10.396 6.222 1.00 0.00 C ATOM 1593 CE1 TYR A 100 -0.125 9.079 3.972 1.00 0.00 C ATOM 1594 CE2 TYR A 100 -1.938 10.299 5.054 1.00 0.00 C ATOM 1595 CZ TYR A 100 -1.427 9.627 3.924 1.00 0.00 C ATOM 1596 OH TYR A 100 -2.213 9.466 2.824 1.00 0.00 O ATOM 0 H TYR A 100 0.874 12.399 5.821 1.00 0.00 H new ATOM 0 HA TYR A 100 2.147 11.665 8.366 1.00 0.00 H new ATOM 0 HB2 TYR A 100 1.659 9.227 7.607 1.00 0.00 H new ATOM 0 HB3 TYR A 100 0.360 10.128 8.363 1.00 0.00 H new ATOM 0 HD1 TYR A 100 1.638 8.751 5.174 1.00 0.00 H new ATOM 0 HD2 TYR A 100 -1.571 10.895 7.092 1.00 0.00 H new ATOM 0 HE1 TYR A 100 0.278 8.579 3.104 1.00 0.00 H new ATOM 0 HE2 TYR A 100 -2.923 10.740 5.019 1.00 0.00 H new ATOM 0 HH TYR A 100 -3.075 9.909 2.970 1.00 0.00 H new ATOM 1606 N GLU A 101 3.240 11.629 5.344 1.00 0.00 N ATOM 1607 CA GLU A 101 4.511 11.764 4.608 1.00 0.00 C ATOM 1608 C GLU A 101 5.479 12.761 5.279 1.00 0.00 C ATOM 1609 O GLU A 101 6.665 12.460 5.439 1.00 0.00 O ATOM 1610 CB GLU A 101 4.185 12.151 3.153 1.00 0.00 C ATOM 1611 CG GLU A 101 5.259 12.887 2.340 1.00 0.00 C ATOM 1612 CD GLU A 101 6.512 12.070 2.013 1.00 0.00 C ATOM 1613 OE1 GLU A 101 6.364 11.016 1.364 1.00 0.00 O ATOM 1614 OE2 GLU A 101 7.636 12.552 2.294 1.00 0.00 O ATOM 0 H GLU A 101 2.431 11.937 4.804 1.00 0.00 H new ATOM 0 HA GLU A 101 5.039 10.810 4.621 1.00 0.00 H new ATOM 0 HB2 GLU A 101 3.928 11.238 2.615 1.00 0.00 H new ATOM 0 HB3 GLU A 101 3.292 12.775 3.167 1.00 0.00 H new ATOM 0 HG2 GLU A 101 4.813 13.226 1.405 1.00 0.00 H new ATOM 0 HG3 GLU A 101 5.561 13.778 2.891 1.00 0.00 H new ATOM 1621 N ASP A 102 4.979 13.921 5.732 1.00 0.00 N ATOM 1622 CA ASP A 102 5.795 14.977 6.361 1.00 0.00 C ATOM 1623 C ASP A 102 6.523 14.512 7.636 1.00 0.00 C ATOM 1624 O ASP A 102 7.515 15.126 8.039 1.00 0.00 O ATOM 1625 CB ASP A 102 4.958 16.235 6.661 1.00 0.00 C ATOM 1626 CG ASP A 102 4.582 17.082 5.427 1.00 0.00 C ATOM 1627 OD1 ASP A 102 5.005 16.771 4.287 1.00 0.00 O ATOM 1628 OD2 ASP A 102 3.896 18.116 5.612 1.00 0.00 O ATOM 0 H ASP A 102 3.988 14.157 5.673 1.00 0.00 H new ATOM 0 HA ASP A 102 6.562 15.224 5.627 1.00 0.00 H new ATOM 0 HB2 ASP A 102 4.041 15.930 7.166 1.00 0.00 H new ATOM 0 HB3 ASP A 102 5.512 16.863 7.358 1.00 0.00 H new ATOM 1633 N ARG A 103 6.048 13.426 8.268 1.00 0.00 N ATOM 1634 CA ARG A 103 6.699 12.775 9.418 1.00 0.00 C ATOM 1635 C ARG A 103 8.155 12.384 9.139 1.00 0.00 C ATOM 1636 O ARG A 103 8.976 12.432 10.054 1.00 0.00 O ATOM 1637 CB ARG A 103 5.886 11.531 9.832 1.00 0.00 C ATOM 1638 CG ARG A 103 6.166 11.045 11.266 1.00 0.00 C ATOM 1639 CD ARG A 103 5.644 12.025 12.327 1.00 0.00 C ATOM 1640 NE ARG A 103 5.821 11.499 13.694 1.00 0.00 N ATOM 1641 CZ ARG A 103 5.413 12.072 14.814 1.00 0.00 C ATOM 1642 NH1 ARG A 103 4.774 13.209 14.820 1.00 0.00 N ATOM 1643 NH2 ARG A 103 5.640 11.507 15.965 1.00 0.00 N ATOM 0 H ARG A 103 5.182 12.966 7.988 1.00 0.00 H new ATOM 0 HA ARG A 103 6.722 13.501 10.231 1.00 0.00 H new ATOM 0 HB2 ARG A 103 4.824 11.756 9.737 1.00 0.00 H new ATOM 0 HB3 ARG A 103 6.103 10.720 9.136 1.00 0.00 H new ATOM 0 HG2 ARG A 103 5.700 10.071 11.414 1.00 0.00 H new ATOM 0 HG3 ARG A 103 7.239 10.909 11.398 1.00 0.00 H new ATOM 0 HD2 ARG A 103 6.169 12.976 12.233 1.00 0.00 H new ATOM 0 HD3 ARG A 103 4.587 12.225 12.149 1.00 0.00 H new ATOM 0 HE ARG A 103 6.305 10.606 13.784 1.00 0.00 H new ATOM 0 HH11 ARG A 103 4.574 13.686 13.941 1.00 0.00 H new ATOM 0 HH12 ARG A 103 4.475 13.621 15.704 1.00 0.00 H new ATOM 0 HH21 ARG A 103 6.136 10.616 16.007 1.00 0.00 H new ATOM 0 HH22 ARG A 103 5.322 11.955 16.825 1.00 0.00 H new ATOM 1657 N GLU A 104 8.474 12.022 7.893 1.00 0.00 N ATOM 1658 CA GLU A 104 9.757 11.402 7.534 1.00 0.00 C ATOM 1659 C GLU A 104 10.547 12.220 6.501 1.00 0.00 C ATOM 1660 O GLU A 104 11.724 12.505 6.736 1.00 0.00 O ATOM 1661 CB GLU A 104 9.559 9.967 7.007 1.00 0.00 C ATOM 1662 CG GLU A 104 8.411 9.147 7.616 1.00 0.00 C ATOM 1663 CD GLU A 104 8.448 8.949 9.144 1.00 0.00 C ATOM 1664 OE1 GLU A 104 9.496 9.176 9.796 1.00 0.00 O ATOM 1665 OE2 GLU A 104 7.392 8.532 9.685 1.00 0.00 O ATOM 0 H GLU A 104 7.847 12.151 7.099 1.00 0.00 H new ATOM 0 HA GLU A 104 10.340 11.374 8.455 1.00 0.00 H new ATOM 0 HB2 GLU A 104 9.401 10.022 5.930 1.00 0.00 H new ATOM 0 HB3 GLU A 104 10.487 9.418 7.165 1.00 0.00 H new ATOM 0 HG2 GLU A 104 7.470 9.631 7.357 1.00 0.00 H new ATOM 0 HG3 GLU A 104 8.405 8.165 7.144 1.00 0.00 H new ATOM 1672 N LYS A 105 9.910 12.628 5.386 1.00 0.00 N ATOM 1673 CA LYS A 105 10.531 13.384 4.271 1.00 0.00 C ATOM 1674 C LYS A 105 11.934 12.879 3.863 1.00 0.00 C ATOM 1675 O LYS A 105 12.854 13.657 3.613 1.00 0.00 O ATOM 1676 CB LYS A 105 10.465 14.896 4.596 1.00 0.00 C ATOM 1677 CG LYS A 105 9.077 15.501 4.302 1.00 0.00 C ATOM 1678 CD LYS A 105 9.077 16.438 3.081 1.00 0.00 C ATOM 1679 CE LYS A 105 9.550 15.794 1.768 1.00 0.00 C ATOM 1680 NZ LYS A 105 8.531 14.891 1.177 1.00 0.00 N ATOM 0 H LYS A 105 8.921 12.437 5.228 1.00 0.00 H new ATOM 0 HA LYS A 105 9.952 13.202 3.366 1.00 0.00 H new ATOM 0 HB2 LYS A 105 10.710 15.050 5.647 1.00 0.00 H new ATOM 0 HB3 LYS A 105 11.219 15.424 4.012 1.00 0.00 H new ATOM 0 HG2 LYS A 105 8.363 14.695 4.134 1.00 0.00 H new ATOM 0 HG3 LYS A 105 8.734 16.053 5.177 1.00 0.00 H new ATOM 0 HD2 LYS A 105 8.067 16.822 2.937 1.00 0.00 H new ATOM 0 HD3 LYS A 105 9.715 17.294 3.299 1.00 0.00 H new ATOM 0 HE2 LYS A 105 9.796 16.577 1.051 1.00 0.00 H new ATOM 0 HE3 LYS A 105 10.466 15.232 1.952 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 8.772 14.698 0.184 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 8.509 13.997 1.708 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 7.596 15.344 1.224 1.00 0.00 H new ATOM 1694 N GLU A 106 12.100 11.555 3.793 1.00 0.00 N ATOM 1695 CA GLU A 106 13.380 10.890 3.481 1.00 0.00 C ATOM 1696 C GLU A 106 13.901 11.156 2.054 1.00 0.00 C ATOM 1697 O GLU A 106 15.106 11.043 1.810 1.00 0.00 O ATOM 1698 CB GLU A 106 13.237 9.372 3.698 1.00 0.00 C ATOM 1699 CG GLU A 106 13.156 8.965 5.177 1.00 0.00 C ATOM 1700 CD GLU A 106 14.529 9.073 5.875 1.00 0.00 C ATOM 1701 OE1 GLU A 106 15.316 8.097 5.826 1.00 0.00 O ATOM 1702 OE2 GLU A 106 14.832 10.128 6.482 1.00 0.00 O ATOM 0 H GLU A 106 11.337 10.898 3.954 1.00 0.00 H new ATOM 0 HA GLU A 106 14.117 11.319 4.160 1.00 0.00 H new ATOM 0 HB2 GLU A 106 12.341 9.023 3.185 1.00 0.00 H new ATOM 0 HB3 GLU A 106 14.086 8.866 3.237 1.00 0.00 H new ATOM 0 HG2 GLU A 106 12.436 9.602 5.691 1.00 0.00 H new ATOM 0 HG3 GLU A 106 12.788 7.942 5.253 1.00 0.00 H new ATOM 1709 N LEU A 107 13.025 11.516 1.109 1.00 0.00 N ATOM 1710 CA LEU A 107 13.398 11.851 -0.270 1.00 0.00 C ATOM 1711 C LEU A 107 14.228 13.151 -0.319 1.00 0.00 C ATOM 1712 O LEU A 107 13.800 14.193 0.185 1.00 0.00 O ATOM 1713 CB LEU A 107 12.150 11.965 -1.166 1.00 0.00 C ATOM 1714 CG LEU A 107 11.360 10.648 -1.320 1.00 0.00 C ATOM 1715 CD1 LEU A 107 10.202 10.548 -0.322 1.00 0.00 C ATOM 1716 CD2 LEU A 107 10.771 10.539 -2.724 1.00 0.00 C ATOM 0 H LEU A 107 12.022 11.584 1.283 1.00 0.00 H new ATOM 0 HA LEU A 107 14.018 11.041 -0.654 1.00 0.00 H new ATOM 0 HB2 LEU A 107 11.488 12.726 -0.753 1.00 0.00 H new ATOM 0 HB3 LEU A 107 12.456 12.310 -2.154 1.00 0.00 H new ATOM 0 HG LEU A 107 12.069 9.842 -1.130 1.00 0.00 H new ATOM 0 HD11 LEU A 107 9.676 9.605 -0.469 1.00 0.00 H new ATOM 0 HD12 LEU A 107 10.593 10.591 0.695 1.00 0.00 H new ATOM 0 HD13 LEU A 107 9.512 11.377 -0.481 1.00 0.00 H new ATOM 0 HD21 LEU A 107 10.217 9.604 -2.815 1.00 0.00 H new ATOM 0 HD22 LEU A 107 10.098 11.378 -2.903 1.00 0.00 H new ATOM 0 HD23 LEU A 107 11.576 10.557 -3.459 1.00 0.00 H new ATOM 1728 N HIS A 108 15.412 13.080 -0.939 1.00 0.00 N ATOM 1729 CA HIS A 108 16.428 14.154 -0.951 1.00 0.00 C ATOM 1730 C HIS A 108 17.213 14.267 -2.277 1.00 0.00 C ATOM 1731 O HIS A 108 18.260 14.920 -2.324 1.00 0.00 O ATOM 1732 CB HIS A 108 17.359 13.949 0.262 1.00 0.00 C ATOM 1733 CG HIS A 108 18.125 12.645 0.234 1.00 0.00 C ATOM 1734 ND1 HIS A 108 17.709 11.442 0.779 1.00 0.00 N ATOM 1735 CD2 HIS A 108 19.350 12.440 -0.340 1.00 0.00 C ATOM 1736 CE1 HIS A 108 18.662 10.522 0.538 1.00 0.00 C ATOM 1737 NE2 HIS A 108 19.671 11.107 -0.143 1.00 0.00 N ATOM 0 H HIS A 108 15.703 12.254 -1.462 1.00 0.00 H new ATOM 0 HA HIS A 108 15.912 15.111 -0.873 1.00 0.00 H new ATOM 0 HB2 HIS A 108 18.069 14.775 0.306 1.00 0.00 H new ATOM 0 HB3 HIS A 108 16.765 13.990 1.175 1.00 0.00 H new ATOM 0 HD1 HIS A 108 16.833 11.281 1.276 1.00 0.00 H new ATOM 0 HD2 HIS A 108 19.952 13.177 -0.850 1.00 0.00 H new ATOM 0 HE1 HIS A 108 18.626 9.486 0.840 1.00 0.00 H new ATOM 1746 N GLN A 109 16.729 13.621 -3.345 1.00 0.00 N ATOM 1747 CA GLN A 109 17.363 13.524 -4.672 1.00 0.00 C ATOM 1748 C GLN A 109 16.306 13.475 -5.790 1.00 0.00 C ATOM 1749 O GLN A 109 15.368 12.650 -5.697 1.00 0.00 O ATOM 1750 CB GLN A 109 18.285 12.289 -4.687 1.00 0.00 C ATOM 1751 CG GLN A 109 19.117 12.184 -5.976 1.00 0.00 C ATOM 1752 CD GLN A 109 20.061 10.975 -5.963 1.00 0.00 C ATOM 1753 OE1 GLN A 109 20.933 10.832 -5.113 1.00 0.00 O ATOM 1754 NE2 GLN A 109 19.935 10.053 -6.898 1.00 0.00 N ATOM 1755 OXT GLN A 109 16.409 14.283 -6.742 1.00 0.00 O ATOM 0 H GLN A 109 15.838 13.125 -3.308 1.00 0.00 H new ATOM 0 HA GLN A 109 17.964 14.413 -4.862 1.00 0.00 H new ATOM 0 HB2 GLN A 109 18.956 12.331 -3.829 1.00 0.00 H new ATOM 0 HB3 GLN A 109 17.681 11.389 -4.575 1.00 0.00 H new ATOM 0 HG2 GLN A 109 18.447 12.110 -6.833 1.00 0.00 H new ATOM 0 HG3 GLN A 109 19.700 13.096 -6.105 1.00 0.00 H new ATOM 0 HE21 GLN A 109 19.217 10.150 -7.616 1.00 0.00 H new ATOM 0 HE22 GLN A 109 20.556 9.243 -6.903 1.00 0.00 H new TER 1764 GLN A 109