USER MOD reduce.3.24.130724 H: found=0, std=0, add=638, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 636 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 8 GLN : amide:sc= -1.96 K(o=-2,f=-1.1) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 125:sc= 0.244 USER MOD Single : A 13 HIS : no HD1:sc= -1.17 K(o=-1.2,f=-2.1!) USER MOD Single : A 17 ASN : amide:sc= -1.04 K(o=-1,f=-3.1!) USER MOD Single : A 19 LYS NZ :NH3+ -171:sc= -0.0549 (180deg=-0.173) USER MOD Single : A 20 SER OG : rot 27:sc= 0.21 USER MOD Single : A 21 ASN : amide:sc= -2.16! X(o=-2.2!,f=-1.8) USER MOD Single : A 24 ASN : amide:sc= -3.99! C(o=-4!,f=-4.3!) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 31 HIS : no HD1:sc= -0.0735 X(o=-0.074,f=0) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 172:sc=-0.00526 (180deg=-0.151) USER MOD Single : A 42 ASN : amide:sc= -6.59! C(o=-6.6!,f=-5.7!) USER MOD Single : A 48 LYS NZ :NH3+ -165:sc= -0.0146 (180deg=-0.256) USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot 18:sc= 0.615 USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 THR OG1 : rot -110:sc= 1.56 USER MOD Single : A 75 LYS NZ :NH3+ 136:sc= -1.96! (180deg=-3.87!) USER MOD Single : A 78 TYR OH : rot 15:sc= 0.186 USER MOD Single : A 83 ASN : amide:sc= -0.626 K(o=-0.63,f=-3.7!) USER MOD Single : A 84 HIS : no HD1:sc= -4.63! C(o=-4.6!,f=-9.4!) USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 89 GLN : amide:sc= -1.71! K(o=-1.7!,f=-0.32) USER MOD Single : A 91 LYS NZ :NH3+ 147:sc= -0.65 (180deg=-1.98!) USER MOD Single : A 94 LYS NZ :NH3+ -168:sc=-0.00137 (180deg=-0.103) USER MOD Single : A 99 MET CE :methyl 148:sc= 0 (180deg=-0.0383) USER MOD ----------------------------------------------------------------- ATOM 17 N ILE A 7 3.440 -6.074 6.048 1.00 0.00 N ATOM 18 CA ILE A 7 3.134 -4.667 5.847 1.00 0.00 C ATOM 19 C ILE A 7 1.959 -4.303 6.750 1.00 0.00 C ATOM 20 O ILE A 7 1.158 -5.172 7.079 1.00 0.00 O ATOM 21 CB ILE A 7 2.731 -4.390 4.374 1.00 0.00 C ATOM 22 CG1 ILE A 7 3.666 -5.078 3.376 1.00 0.00 C ATOM 23 CG2 ILE A 7 2.679 -2.907 4.072 1.00 0.00 C ATOM 24 CD1 ILE A 7 3.091 -6.356 2.790 1.00 0.00 C ATOM 0 HA ILE A 7 4.017 -4.073 6.083 1.00 0.00 H new ATOM 0 HB ILE A 7 1.732 -4.810 4.257 1.00 0.00 H new ATOM 0 HG12 ILE A 7 3.892 -4.385 2.565 1.00 0.00 H new ATOM 0 HG13 ILE A 7 4.609 -5.307 3.872 1.00 0.00 H new ATOM 0 HG21 ILE A 7 2.393 -2.758 3.031 1.00 0.00 H new ATOM 0 HG22 ILE A 7 1.946 -2.429 4.722 1.00 0.00 H new ATOM 0 HG23 ILE A 7 3.660 -2.466 4.246 1.00 0.00 H new ATOM 0 HD11 ILE A 7 3.806 -6.790 2.092 1.00 0.00 H new ATOM 0 HD12 ILE A 7 2.891 -7.066 3.592 1.00 0.00 H new ATOM 0 HD13 ILE A 7 2.163 -6.130 2.265 1.00 0.00 H new ATOM 36 N GLN A 8 1.856 -3.049 7.178 1.00 0.00 N ATOM 37 CA GLN A 8 0.732 -2.638 8.007 1.00 0.00 C ATOM 38 C GLN A 8 -0.022 -1.476 7.346 1.00 0.00 C ATOM 39 O GLN A 8 0.474 -0.350 7.291 1.00 0.00 O ATOM 40 CB GLN A 8 1.211 -2.247 9.417 1.00 0.00 C ATOM 41 CG GLN A 8 1.846 -3.400 10.217 1.00 0.00 C ATOM 42 CD GLN A 8 3.192 -3.868 9.689 1.00 0.00 C ATOM 43 OE1 GLN A 8 3.522 -5.048 9.776 1.00 0.00 O ATOM 44 NE2 GLN A 8 4.004 -2.944 9.196 1.00 0.00 N ATOM 0 H GLN A 8 2.527 -2.310 6.968 1.00 0.00 H new ATOM 0 HA GLN A 8 0.048 -3.481 8.104 1.00 0.00 H new ATOM 0 HB2 GLN A 8 1.937 -1.439 9.329 1.00 0.00 H new ATOM 0 HB3 GLN A 8 0.364 -1.855 9.979 1.00 0.00 H new ATOM 0 HG2 GLN A 8 1.967 -3.083 11.253 1.00 0.00 H new ATOM 0 HG3 GLN A 8 1.158 -4.245 10.220 1.00 0.00 H new ATOM 0 HE21 GLN A 8 3.697 -1.973 9.139 1.00 0.00 H new ATOM 0 HE22 GLN A 8 4.936 -3.204 8.874 1.00 0.00 H new ATOM 53 N VAL A 9 -1.209 -1.768 6.818 1.00 0.00 N ATOM 54 CA VAL A 9 -2.025 -0.770 6.118 1.00 0.00 C ATOM 55 C VAL A 9 -3.026 -0.072 7.039 1.00 0.00 C ATOM 56 O VAL A 9 -3.461 -0.634 8.043 1.00 0.00 O ATOM 57 CB VAL A 9 -2.788 -1.384 4.921 1.00 0.00 C ATOM 58 CG1 VAL A 9 -1.864 -1.568 3.746 1.00 0.00 C ATOM 59 CG2 VAL A 9 -3.390 -2.721 5.282 1.00 0.00 C ATOM 0 H VAL A 9 -1.632 -2.695 6.861 1.00 0.00 H new ATOM 0 HA VAL A 9 -1.317 -0.027 5.752 1.00 0.00 H new ATOM 0 HB VAL A 9 -3.589 -0.693 4.658 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -2.417 -2.001 2.913 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -1.457 -0.602 3.448 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -1.048 -2.235 4.026 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -3.919 -3.126 4.420 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -2.598 -3.409 5.578 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -4.088 -2.594 6.110 1.00 0.00 H new ATOM 69 N TYR A 10 -3.377 1.161 6.668 1.00 0.00 N ATOM 70 CA TYR A 10 -4.284 2.019 7.442 1.00 0.00 C ATOM 71 C TYR A 10 -4.982 2.996 6.500 1.00 0.00 C ATOM 72 O TYR A 10 -4.756 2.971 5.290 1.00 0.00 O ATOM 73 CB TYR A 10 -3.531 2.849 8.495 1.00 0.00 C ATOM 74 CG TYR A 10 -2.908 2.066 9.643 1.00 0.00 C ATOM 75 CD1 TYR A 10 -1.551 2.194 9.935 1.00 0.00 C ATOM 76 CD2 TYR A 10 -3.670 1.215 10.444 1.00 0.00 C ATOM 77 CE1 TYR A 10 -0.974 1.502 10.981 1.00 0.00 C ATOM 78 CE2 TYR A 10 -3.093 0.514 11.493 1.00 0.00 C ATOM 79 CZ TYR A 10 -1.747 0.664 11.755 1.00 0.00 C ATOM 80 OH TYR A 10 -1.173 -0.022 12.801 1.00 0.00 O ATOM 0 H TYR A 10 -3.037 1.599 5.812 1.00 0.00 H new ATOM 0 HA TYR A 10 -4.996 1.366 7.946 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -2.742 3.407 7.992 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -4.222 3.581 8.914 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -0.939 2.847 9.331 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -4.725 1.100 10.244 1.00 0.00 H new ATOM 0 HE1 TYR A 10 0.079 1.617 11.192 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -3.694 -0.146 12.101 1.00 0.00 H new ATOM 0 HH TYR A 10 -1.854 -0.568 13.247 1.00 0.00 H new ATOM 90 N SER A 11 -5.820 3.863 7.052 1.00 0.00 N ATOM 91 CA SER A 11 -6.426 4.942 6.276 1.00 0.00 C ATOM 92 C SER A 11 -6.325 6.280 7.008 1.00 0.00 C ATOM 93 O SER A 11 -6.135 6.331 8.224 1.00 0.00 O ATOM 94 CB SER A 11 -7.890 4.628 5.984 1.00 0.00 C ATOM 95 OG SER A 11 -8.017 3.424 5.246 1.00 0.00 O ATOM 0 H SER A 11 -6.097 3.842 8.033 1.00 0.00 H new ATOM 0 HA SER A 11 -5.877 5.021 5.338 1.00 0.00 H new ATOM 0 HB2 SER A 11 -8.441 4.544 6.921 1.00 0.00 H new ATOM 0 HB3 SER A 11 -8.337 5.450 5.424 1.00 0.00 H new ATOM 0 HG SER A 11 -8.617 2.811 5.720 1.00 0.00 H new ATOM 101 N ARG A 12 -6.446 7.361 6.240 1.00 0.00 N ATOM 102 CA ARG A 12 -6.354 8.720 6.783 1.00 0.00 C ATOM 103 C ARG A 12 -7.670 9.127 7.448 1.00 0.00 C ATOM 104 O ARG A 12 -7.689 9.941 8.369 1.00 0.00 O ATOM 105 CB ARG A 12 -6.026 9.713 5.654 1.00 0.00 C ATOM 106 CG ARG A 12 -5.034 10.807 6.030 1.00 0.00 C ATOM 107 CD ARG A 12 -5.557 11.711 7.134 1.00 0.00 C ATOM 108 NE ARG A 12 -4.797 12.959 7.208 1.00 0.00 N ATOM 109 CZ ARG A 12 -4.396 13.538 8.341 1.00 0.00 C ATOM 110 NH1 ARG A 12 -4.715 13.009 9.515 1.00 0.00 N ATOM 111 NH2 ARG A 12 -3.685 14.658 8.298 1.00 0.00 N ATOM 0 H ARG A 12 -6.609 7.324 5.234 1.00 0.00 H new ATOM 0 HA ARG A 12 -5.561 8.737 7.531 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -5.627 9.157 4.805 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -6.952 10.181 5.321 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -4.098 10.350 6.352 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -4.809 11.408 5.149 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -6.609 11.934 6.956 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -5.499 11.191 8.090 1.00 0.00 H new ATOM 0 HE ARG A 12 -4.556 13.419 6.330 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -5.270 12.154 9.555 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -4.405 13.457 10.377 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -3.445 15.076 7.399 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -3.378 15.101 9.164 1.00 0.00 H new ATOM 125 N HIS A 13 -8.760 8.539 6.988 1.00 0.00 N ATOM 126 CA HIS A 13 -10.098 8.963 7.387 1.00 0.00 C ATOM 127 C HIS A 13 -10.995 7.742 7.632 1.00 0.00 C ATOM 128 O HIS A 13 -10.588 6.614 7.345 1.00 0.00 O ATOM 129 CB HIS A 13 -10.694 9.864 6.296 1.00 0.00 C ATOM 130 CG HIS A 13 -10.011 11.192 6.149 1.00 0.00 C ATOM 131 ND1 HIS A 13 -9.025 11.396 5.214 1.00 0.00 N ATOM 132 CD2 HIS A 13 -10.218 12.343 6.829 1.00 0.00 C ATOM 133 CE1 HIS A 13 -8.660 12.660 5.343 1.00 0.00 C ATOM 134 NE2 HIS A 13 -9.355 13.274 6.310 1.00 0.00 N ATOM 0 H HIS A 13 -8.748 7.759 6.331 1.00 0.00 H new ATOM 0 HA HIS A 13 -10.035 9.527 8.318 1.00 0.00 H new ATOM 0 HB2 HIS A 13 -10.649 9.338 5.342 1.00 0.00 H new ATOM 0 HB3 HIS A 13 -11.748 10.033 6.517 1.00 0.00 H new ATOM 0 HD2 HIS A 13 -10.928 12.499 7.628 1.00 0.00 H new ATOM 0 HE1 HIS A 13 -7.898 13.137 4.745 1.00 0.00 H new ATOM 0 HE2 HIS A 13 -9.260 14.246 6.604 1.00 0.00 H new ATOM 142 N PRO A 14 -12.221 7.944 8.168 1.00 0.00 N ATOM 143 CA PRO A 14 -13.135 6.840 8.493 1.00 0.00 C ATOM 144 C PRO A 14 -13.734 6.190 7.243 1.00 0.00 C ATOM 145 O PRO A 14 -14.108 6.885 6.296 1.00 0.00 O ATOM 146 CB PRO A 14 -14.250 7.488 9.325 1.00 0.00 C ATOM 147 CG PRO A 14 -13.864 8.927 9.510 1.00 0.00 C ATOM 148 CD PRO A 14 -12.813 9.252 8.483 1.00 0.00 C ATOM 0 HA PRO A 14 -12.608 6.044 9.020 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -15.211 7.407 8.816 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -14.356 6.988 10.288 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -14.732 9.575 9.388 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -13.480 9.094 10.517 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -13.247 9.719 7.599 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -12.069 9.945 8.876 1.00 0.00 H new ATOM 156 N ALA A 15 -13.802 4.858 7.240 1.00 0.00 N ATOM 157 CA ALA A 15 -14.398 4.103 6.133 1.00 0.00 C ATOM 158 C ALA A 15 -15.860 4.483 5.901 1.00 0.00 C ATOM 159 O ALA A 15 -16.748 4.020 6.619 1.00 0.00 O ATOM 160 CB ALA A 15 -14.307 2.604 6.422 1.00 0.00 C ATOM 0 H ALA A 15 -13.449 4.274 7.998 1.00 0.00 H new ATOM 0 HA ALA A 15 -13.839 4.350 5.231 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -14.751 2.047 5.597 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -13.261 2.318 6.532 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -14.844 2.378 7.343 1.00 0.00 H new ATOM 166 N GLU A 16 -16.121 5.320 4.901 1.00 0.00 N ATOM 167 CA GLU A 16 -17.493 5.648 4.534 1.00 0.00 C ATOM 168 C GLU A 16 -17.837 5.072 3.165 1.00 0.00 C ATOM 169 O GLU A 16 -17.187 5.397 2.168 1.00 0.00 O ATOM 170 CB GLU A 16 -17.727 7.163 4.531 1.00 0.00 C ATOM 171 CG GLU A 16 -18.278 7.695 5.836 1.00 0.00 C ATOM 172 CD GLU A 16 -19.568 7.013 6.230 1.00 0.00 C ATOM 173 OE1 GLU A 16 -19.548 6.199 7.179 1.00 0.00 O ATOM 174 OE2 GLU A 16 -20.605 7.273 5.584 1.00 0.00 O ATOM 0 H GLU A 16 -15.407 5.779 4.335 1.00 0.00 H new ATOM 0 HA GLU A 16 -18.145 5.202 5.285 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -16.786 7.667 4.312 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -18.418 7.414 3.726 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -17.539 7.555 6.625 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -18.449 8.768 5.746 1.00 0.00 H new ATOM 181 N ASN A 17 -18.850 4.211 3.120 1.00 0.00 N ATOM 182 CA ASN A 17 -19.310 3.634 1.863 1.00 0.00 C ATOM 183 C ASN A 17 -19.830 4.732 0.926 1.00 0.00 C ATOM 184 O ASN A 17 -20.830 5.392 1.219 1.00 0.00 O ATOM 185 CB ASN A 17 -20.389 2.557 2.131 1.00 0.00 C ATOM 186 CG ASN A 17 -21.152 2.161 0.879 1.00 0.00 C ATOM 187 OD1 ASN A 17 -20.740 1.265 0.147 1.00 0.00 O ATOM 188 ND2 ASN A 17 -22.283 2.807 0.637 1.00 0.00 N ATOM 0 H ASN A 17 -19.368 3.898 3.941 1.00 0.00 H new ATOM 0 HA ASN A 17 -18.469 3.149 1.367 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -19.915 1.673 2.556 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -21.092 2.931 2.876 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -22.844 2.565 -0.180 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -22.593 3.546 1.268 1.00 0.00 H new ATOM 195 N GLY A 18 -19.116 4.948 -0.180 1.00 0.00 N ATOM 196 CA GLY A 18 -19.511 5.962 -1.151 1.00 0.00 C ATOM 197 C GLY A 18 -18.478 7.060 -1.330 1.00 0.00 C ATOM 198 O GLY A 18 -18.487 7.761 -2.347 1.00 0.00 O ATOM 0 H GLY A 18 -18.267 4.437 -0.422 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -19.691 5.482 -2.113 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -20.454 6.408 -0.836 1.00 0.00 H new ATOM 202 N LYS A 19 -17.580 7.224 -0.363 1.00 0.00 N ATOM 203 CA LYS A 19 -16.588 8.300 -0.441 1.00 0.00 C ATOM 204 C LYS A 19 -15.293 7.805 -1.046 1.00 0.00 C ATOM 205 O LYS A 19 -14.991 6.615 -0.996 1.00 0.00 O ATOM 206 CB LYS A 19 -16.230 8.861 0.939 1.00 0.00 C ATOM 207 CG LYS A 19 -17.374 9.001 1.922 1.00 0.00 C ATOM 208 CD LYS A 19 -18.506 9.862 1.408 1.00 0.00 C ATOM 209 CE LYS A 19 -18.052 11.276 1.076 1.00 0.00 C ATOM 210 NZ LYS A 19 -17.332 11.929 2.200 1.00 0.00 N ATOM 0 H LYS A 19 -17.515 6.640 0.470 1.00 0.00 H new ATOM 0 HA LYS A 19 -17.047 9.073 -1.057 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -15.472 8.216 1.385 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -15.774 9.842 0.802 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -17.761 8.010 2.161 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -16.995 9.428 2.850 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -18.934 9.402 0.517 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -19.297 9.903 2.157 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -17.402 11.248 0.202 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -18.920 11.878 0.808 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -17.181 12.934 1.978 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -17.898 11.847 3.069 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -16.413 11.463 2.341 1.00 0.00 H new ATOM 224 N SER A 20 -14.522 8.724 -1.602 1.00 0.00 N ATOM 225 CA SER A 20 -13.148 8.420 -1.924 1.00 0.00 C ATOM 226 C SER A 20 -12.234 9.032 -0.878 1.00 0.00 C ATOM 227 O SER A 20 -12.560 10.048 -0.258 1.00 0.00 O ATOM 228 CB SER A 20 -12.728 8.834 -3.337 1.00 0.00 C ATOM 229 OG SER A 20 -11.545 8.168 -3.733 1.00 0.00 O ATOM 0 H SER A 20 -14.822 9.671 -1.835 1.00 0.00 H new ATOM 0 HA SER A 20 -13.055 7.334 -1.911 1.00 0.00 H new ATOM 0 HB2 SER A 20 -13.530 8.606 -4.039 1.00 0.00 H new ATOM 0 HB3 SER A 20 -12.571 9.912 -3.372 1.00 0.00 H new ATOM 0 HG SER A 20 -11.480 7.310 -3.263 1.00 0.00 H new ATOM 235 N ASN A 21 -11.102 8.397 -0.695 1.00 0.00 N ATOM 236 CA ASN A 21 -10.121 8.799 0.297 1.00 0.00 C ATOM 237 C ASN A 21 -8.831 8.096 -0.057 1.00 0.00 C ATOM 238 O ASN A 21 -8.752 7.475 -1.118 1.00 0.00 O ATOM 239 CB ASN A 21 -10.566 8.461 1.737 1.00 0.00 C ATOM 240 CG ASN A 21 -10.787 9.700 2.576 1.00 0.00 C ATOM 241 OD1 ASN A 21 -10.080 10.693 2.424 1.00 0.00 O ATOM 242 ND2 ASN A 21 -11.799 9.665 3.434 1.00 0.00 N ATOM 0 H ASN A 21 -10.828 7.576 -1.235 1.00 0.00 H new ATOM 0 HA ASN A 21 -9.997 9.882 0.280 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -11.487 7.879 1.703 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -9.810 7.834 2.211 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -12.016 10.485 4.000 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -12.360 8.818 3.527 1.00 0.00 H new ATOM 249 N PHE A 22 -7.831 8.174 0.795 1.00 0.00 N ATOM 250 CA PHE A 22 -6.518 7.662 0.430 1.00 0.00 C ATOM 251 C PHE A 22 -6.137 6.430 1.232 1.00 0.00 C ATOM 252 O PHE A 22 -6.201 6.436 2.465 1.00 0.00 O ATOM 253 CB PHE A 22 -5.472 8.763 0.593 1.00 0.00 C ATOM 254 CG PHE A 22 -5.532 9.789 -0.507 1.00 0.00 C ATOM 255 CD1 PHE A 22 -5.218 11.121 -0.273 1.00 0.00 C ATOM 256 CD2 PHE A 22 -5.913 9.410 -1.785 1.00 0.00 C ATOM 257 CE1 PHE A 22 -5.281 12.047 -1.297 1.00 0.00 C ATOM 258 CE2 PHE A 22 -5.978 10.330 -2.809 1.00 0.00 C ATOM 259 CZ PHE A 22 -5.662 11.652 -2.566 1.00 0.00 C ATOM 0 H PHE A 22 -7.894 8.578 1.729 1.00 0.00 H new ATOM 0 HA PHE A 22 -6.558 7.354 -0.615 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -5.617 9.257 1.554 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -4.479 8.315 0.612 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -4.922 11.436 0.717 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -6.163 8.378 -1.981 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -5.032 13.080 -1.106 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -6.275 10.018 -3.799 1.00 0.00 H new ATOM 0 HZ PHE A 22 -5.712 12.376 -3.366 1.00 0.00 H new ATOM 269 N LEU A 23 -5.746 5.369 0.523 1.00 0.00 N ATOM 270 CA LEU A 23 -5.297 4.139 1.182 1.00 0.00 C ATOM 271 C LEU A 23 -3.819 4.269 1.533 1.00 0.00 C ATOM 272 O LEU A 23 -2.980 4.497 0.662 1.00 0.00 O ATOM 273 CB LEU A 23 -5.567 2.894 0.306 1.00 0.00 C ATOM 274 CG LEU A 23 -4.922 1.564 0.769 1.00 0.00 C ATOM 275 CD1 LEU A 23 -5.300 1.213 2.206 1.00 0.00 C ATOM 276 CD2 LEU A 23 -5.332 0.431 -0.161 1.00 0.00 C ATOM 0 H LEU A 23 -5.731 5.335 -0.496 1.00 0.00 H new ATOM 0 HA LEU A 23 -5.868 4.000 2.100 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -6.645 2.747 0.247 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -5.219 3.107 -0.705 1.00 0.00 H new ATOM 0 HG LEU A 23 -3.841 1.698 0.733 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -4.825 0.273 2.488 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -4.963 2.005 2.875 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -6.382 1.110 2.283 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -4.873 -0.499 0.174 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -6.417 0.325 -0.149 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -5.000 0.655 -1.175 1.00 0.00 H new ATOM 288 N ASN A 24 -3.524 4.149 2.817 1.00 0.00 N ATOM 289 CA ASN A 24 -2.165 4.376 3.327 1.00 0.00 C ATOM 290 C ASN A 24 -1.504 3.045 3.658 1.00 0.00 C ATOM 291 O ASN A 24 -2.003 2.274 4.482 1.00 0.00 O ATOM 292 CB ASN A 24 -2.171 5.329 4.555 1.00 0.00 C ATOM 293 CG ASN A 24 -1.097 5.011 5.581 1.00 0.00 C ATOM 294 OD1 ASN A 24 0.024 5.502 5.504 1.00 0.00 O ATOM 295 ND2 ASN A 24 -1.447 4.204 6.566 1.00 0.00 N ATOM 0 H ASN A 24 -4.204 3.895 3.534 1.00 0.00 H new ATOM 0 HA ASN A 24 -1.581 4.866 2.548 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -2.038 6.354 4.209 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -3.147 5.280 5.037 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -0.775 3.970 7.297 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -2.389 3.815 6.596 1.00 0.00 H new ATOM 302 N CYS A 25 -0.394 2.765 2.991 1.00 0.00 N ATOM 303 CA CYS A 25 0.288 1.493 3.121 1.00 0.00 C ATOM 304 C CYS A 25 1.758 1.719 3.494 1.00 0.00 C ATOM 305 O CYS A 25 2.537 2.214 2.683 1.00 0.00 O ATOM 306 CB CYS A 25 0.134 0.782 1.771 1.00 0.00 C ATOM 307 SG CYS A 25 -1.611 0.439 1.390 1.00 0.00 S ATOM 0 H CYS A 25 0.056 3.415 2.346 1.00 0.00 H new ATOM 0 HA CYS A 25 -0.136 0.879 3.916 1.00 0.00 H new ATOM 0 HB2 CYS A 25 0.564 1.400 0.983 1.00 0.00 H new ATOM 0 HB3 CYS A 25 0.694 -0.153 1.785 1.00 0.00 H new ATOM 312 N TYR A 26 2.128 1.367 4.731 1.00 0.00 N ATOM 313 CA TYR A 26 3.480 1.636 5.236 1.00 0.00 C ATOM 314 C TYR A 26 4.413 0.480 4.931 1.00 0.00 C ATOM 315 O TYR A 26 4.108 -0.667 5.239 1.00 0.00 O ATOM 316 CB TYR A 26 3.504 1.856 6.759 1.00 0.00 C ATOM 317 CG TYR A 26 2.858 3.129 7.269 1.00 0.00 C ATOM 318 CD1 TYR A 26 3.524 4.347 7.197 1.00 0.00 C ATOM 319 CD2 TYR A 26 1.602 3.104 7.863 1.00 0.00 C ATOM 320 CE1 TYR A 26 2.954 5.505 7.699 1.00 0.00 C ATOM 321 CE2 TYR A 26 1.027 4.257 8.361 1.00 0.00 C ATOM 322 CZ TYR A 26 1.706 5.452 8.277 1.00 0.00 C ATOM 323 OH TYR A 26 1.136 6.599 8.783 1.00 0.00 O ATOM 0 H TYR A 26 1.515 0.898 5.397 1.00 0.00 H new ATOM 0 HA TYR A 26 3.809 2.545 4.732 1.00 0.00 H new ATOM 0 HB2 TYR A 26 3.009 1.009 7.234 1.00 0.00 H new ATOM 0 HB3 TYR A 26 4.543 1.845 7.089 1.00 0.00 H new ATOM 0 HD1 TYR A 26 4.502 4.391 6.742 1.00 0.00 H new ATOM 0 HD2 TYR A 26 1.067 2.169 7.936 1.00 0.00 H new ATOM 0 HE1 TYR A 26 3.485 6.443 7.637 1.00 0.00 H new ATOM 0 HE2 TYR A 26 0.048 4.221 8.815 1.00 0.00 H new ATOM 0 HH TYR A 26 0.254 6.389 9.155 1.00 0.00 H new ATOM 333 N VAL A 27 5.566 0.794 4.372 1.00 0.00 N ATOM 334 CA VAL A 27 6.572 -0.208 4.069 1.00 0.00 C ATOM 335 C VAL A 27 7.920 0.277 4.608 1.00 0.00 C ATOM 336 O VAL A 27 8.506 1.203 4.060 1.00 0.00 O ATOM 337 CB VAL A 27 6.681 -0.434 2.539 1.00 0.00 C ATOM 338 CG1 VAL A 27 7.718 -1.499 2.214 1.00 0.00 C ATOM 339 CG2 VAL A 27 5.328 -0.816 1.951 1.00 0.00 C ATOM 0 H VAL A 27 5.832 1.745 4.116 1.00 0.00 H new ATOM 0 HA VAL A 27 6.289 -1.152 4.536 1.00 0.00 H new ATOM 0 HB VAL A 27 7.003 0.504 2.087 1.00 0.00 H new ATOM 0 HG11 VAL A 27 7.773 -1.636 1.134 1.00 0.00 H new ATOM 0 HG12 VAL A 27 8.692 -1.185 2.590 1.00 0.00 H new ATOM 0 HG13 VAL A 27 7.433 -2.440 2.685 1.00 0.00 H new ATOM 0 HG21 VAL A 27 5.429 -0.970 0.877 1.00 0.00 H new ATOM 0 HG22 VAL A 27 4.975 -1.736 2.418 1.00 0.00 H new ATOM 0 HG23 VAL A 27 4.611 -0.016 2.138 1.00 0.00 H new ATOM 349 N SER A 28 8.410 -0.320 5.684 1.00 0.00 N ATOM 350 CA SER A 28 9.613 0.199 6.330 1.00 0.00 C ATOM 351 C SER A 28 10.695 -0.878 6.482 1.00 0.00 C ATOM 352 O SER A 28 10.400 -2.039 6.769 1.00 0.00 O ATOM 353 CB SER A 28 9.254 0.789 7.700 1.00 0.00 C ATOM 354 OG SER A 28 10.337 1.521 8.250 1.00 0.00 O ATOM 0 H SER A 28 8.006 -1.147 6.123 1.00 0.00 H new ATOM 0 HA SER A 28 10.023 0.981 5.691 1.00 0.00 H new ATOM 0 HB2 SER A 28 8.386 1.441 7.601 1.00 0.00 H new ATOM 0 HB3 SER A 28 8.973 -0.014 8.381 1.00 0.00 H new ATOM 0 HG SER A 28 10.076 1.885 9.122 1.00 0.00 H new ATOM 360 N GLY A 29 11.946 -0.465 6.279 1.00 0.00 N ATOM 361 CA GLY A 29 13.091 -1.357 6.431 1.00 0.00 C ATOM 362 C GLY A 29 13.724 -1.711 5.098 1.00 0.00 C ATOM 363 O GLY A 29 14.772 -2.354 5.042 1.00 0.00 O ATOM 0 H GLY A 29 12.191 0.487 6.007 1.00 0.00 H new ATOM 0 HA2 GLY A 29 13.836 -0.883 7.070 1.00 0.00 H new ATOM 0 HA3 GLY A 29 12.773 -2.270 6.934 1.00 0.00 H new ATOM 367 N PHE A 30 13.076 -1.283 4.028 1.00 0.00 N ATOM 368 CA PHE A 30 13.486 -1.638 2.676 1.00 0.00 C ATOM 369 C PHE A 30 14.007 -0.426 1.916 1.00 0.00 C ATOM 370 O PHE A 30 13.467 0.660 2.045 1.00 0.00 O ATOM 371 CB PHE A 30 12.289 -2.229 1.944 1.00 0.00 C ATOM 372 CG PHE A 30 11.709 -3.437 2.651 1.00 0.00 C ATOM 373 CD1 PHE A 30 10.737 -3.294 3.639 1.00 0.00 C ATOM 374 CD2 PHE A 30 12.149 -4.716 2.338 1.00 0.00 C ATOM 375 CE1 PHE A 30 10.217 -4.403 4.290 1.00 0.00 C ATOM 376 CE2 PHE A 30 11.633 -5.826 2.988 1.00 0.00 C ATOM 377 CZ PHE A 30 10.666 -5.665 3.961 1.00 0.00 C ATOM 0 H PHE A 30 12.253 -0.682 4.069 1.00 0.00 H new ATOM 0 HA PHE A 30 14.296 -2.365 2.734 1.00 0.00 H new ATOM 0 HB2 PHE A 30 11.517 -1.466 1.844 1.00 0.00 H new ATOM 0 HB3 PHE A 30 12.589 -2.513 0.935 1.00 0.00 H new ATOM 0 HD1 PHE A 30 10.384 -2.308 3.901 1.00 0.00 H new ATOM 0 HD2 PHE A 30 12.904 -4.848 1.577 1.00 0.00 H new ATOM 0 HE1 PHE A 30 9.462 -4.279 5.053 1.00 0.00 H new ATOM 0 HE2 PHE A 30 11.986 -6.815 2.734 1.00 0.00 H new ATOM 0 HZ PHE A 30 10.260 -6.529 4.466 1.00 0.00 H new ATOM 387 N HIS A 31 15.046 -0.616 1.112 1.00 0.00 N ATOM 388 CA HIS A 31 15.619 0.489 0.346 1.00 0.00 C ATOM 389 C HIS A 31 14.701 0.846 -0.822 1.00 0.00 C ATOM 390 O HIS A 31 14.603 0.089 -1.787 1.00 0.00 O ATOM 391 CB HIS A 31 17.019 0.138 -0.165 1.00 0.00 C ATOM 392 CG HIS A 31 17.987 -0.230 0.923 1.00 0.00 C ATOM 393 ND1 HIS A 31 19.150 -0.901 0.644 1.00 0.00 N ATOM 394 CD2 HIS A 31 17.921 -0.004 2.261 1.00 0.00 C ATOM 395 CE1 HIS A 31 19.760 -1.071 1.801 1.00 0.00 C ATOM 396 NE2 HIS A 31 19.056 -0.544 2.813 1.00 0.00 N ATOM 0 H HIS A 31 15.507 -1.515 0.973 1.00 0.00 H new ATOM 0 HA HIS A 31 15.709 1.352 1.005 1.00 0.00 H new ATOM 0 HB2 HIS A 31 16.942 -0.693 -0.866 1.00 0.00 H new ATOM 0 HB3 HIS A 31 17.417 0.988 -0.720 1.00 0.00 H new ATOM 0 HD2 HIS A 31 17.127 0.503 2.789 1.00 0.00 H new ATOM 0 HE1 HIS A 31 20.709 -1.573 1.919 1.00 0.00 H new ATOM 0 HE2 HIS A 31 19.313 -0.544 3.800 1.00 0.00 H new ATOM 404 N PRO A 32 14.054 2.026 -0.736 1.00 0.00 N ATOM 405 CA PRO A 32 12.965 2.454 -1.636 1.00 0.00 C ATOM 406 C PRO A 32 13.138 2.063 -3.105 1.00 0.00 C ATOM 407 O PRO A 32 12.233 1.487 -3.708 1.00 0.00 O ATOM 408 CB PRO A 32 12.991 3.978 -1.478 1.00 0.00 C ATOM 409 CG PRO A 32 13.417 4.199 -0.066 1.00 0.00 C ATOM 410 CD PRO A 32 14.352 3.063 0.275 1.00 0.00 C ATOM 0 HA PRO A 32 12.027 1.968 -1.368 1.00 0.00 H new ATOM 0 HB2 PRO A 32 13.687 4.438 -2.179 1.00 0.00 H new ATOM 0 HB3 PRO A 32 12.011 4.414 -1.670 1.00 0.00 H new ATOM 0 HG2 PRO A 32 13.917 5.161 0.044 1.00 0.00 H new ATOM 0 HG3 PRO A 32 12.557 4.209 0.603 1.00 0.00 H new ATOM 0 HD2 PRO A 32 15.394 3.378 0.226 1.00 0.00 H new ATOM 0 HD3 PRO A 32 14.178 2.694 1.286 1.00 0.00 H new ATOM 418 N SER A 33 14.301 2.348 -3.669 1.00 0.00 N ATOM 419 CA SER A 33 14.507 2.198 -5.104 1.00 0.00 C ATOM 420 C SER A 33 14.517 0.722 -5.553 1.00 0.00 C ATOM 421 O SER A 33 14.227 0.431 -6.717 1.00 0.00 O ATOM 422 CB SER A 33 15.805 2.911 -5.514 1.00 0.00 C ATOM 423 OG SER A 33 15.950 2.981 -6.924 1.00 0.00 O ATOM 0 H SER A 33 15.117 2.684 -3.157 1.00 0.00 H new ATOM 0 HA SER A 33 13.662 2.662 -5.612 1.00 0.00 H new ATOM 0 HB2 SER A 33 15.812 3.919 -5.098 1.00 0.00 H new ATOM 0 HB3 SER A 33 16.659 2.384 -5.087 1.00 0.00 H new ATOM 0 HG SER A 33 16.786 3.442 -7.144 1.00 0.00 H new ATOM 429 N ASP A 34 14.836 -0.217 -4.655 1.00 0.00 N ATOM 430 CA ASP A 34 14.936 -1.630 -5.053 1.00 0.00 C ATOM 431 C ASP A 34 13.783 -2.482 -4.546 1.00 0.00 C ATOM 432 O ASP A 34 13.926 -3.700 -4.419 1.00 0.00 O ATOM 433 CB ASP A 34 16.249 -2.258 -4.566 1.00 0.00 C ATOM 434 CG ASP A 34 17.463 -1.716 -5.283 1.00 0.00 C ATOM 435 OD1 ASP A 34 17.580 -1.932 -6.509 1.00 0.00 O ATOM 436 OD2 ASP A 34 18.323 -1.098 -4.622 1.00 0.00 O ATOM 0 H ASP A 34 15.026 -0.034 -3.670 1.00 0.00 H new ATOM 0 HA ASP A 34 14.901 -1.619 -6.142 1.00 0.00 H new ATOM 0 HB2 ASP A 34 16.356 -2.080 -3.496 1.00 0.00 H new ATOM 0 HB3 ASP A 34 16.203 -3.338 -4.706 1.00 0.00 H new ATOM 441 N ILE A 35 12.642 -1.881 -4.255 1.00 0.00 N ATOM 442 CA ILE A 35 11.511 -2.667 -3.777 1.00 0.00 C ATOM 443 C ILE A 35 10.287 -2.475 -4.664 1.00 0.00 C ATOM 444 O ILE A 35 10.235 -1.558 -5.484 1.00 0.00 O ATOM 445 CB ILE A 35 11.142 -2.338 -2.304 1.00 0.00 C ATOM 446 CG1 ILE A 35 10.072 -1.236 -2.225 1.00 0.00 C ATOM 447 CG2 ILE A 35 12.382 -1.952 -1.500 1.00 0.00 C ATOM 448 CD1 ILE A 35 9.624 -0.944 -0.810 1.00 0.00 C ATOM 0 H ILE A 35 12.473 -0.879 -4.337 1.00 0.00 H new ATOM 0 HA ILE A 35 11.826 -3.709 -3.822 1.00 0.00 H new ATOM 0 HB ILE A 35 10.720 -3.241 -1.863 1.00 0.00 H new ATOM 0 HG12 ILE A 35 10.466 -0.323 -2.671 1.00 0.00 H new ATOM 0 HG13 ILE A 35 9.208 -1.534 -2.819 1.00 0.00 H new ATOM 0 HG21 ILE A 35 12.094 -1.727 -0.473 1.00 0.00 H new ATOM 0 HG22 ILE A 35 13.091 -2.780 -1.505 1.00 0.00 H new ATOM 0 HG23 ILE A 35 12.847 -1.073 -1.947 1.00 0.00 H new ATOM 0 HD11 ILE A 35 8.869 -0.158 -0.822 1.00 0.00 H new ATOM 0 HD12 ILE A 35 9.201 -1.847 -0.369 1.00 0.00 H new ATOM 0 HD13 ILE A 35 10.479 -0.617 -0.218 1.00 0.00 H new ATOM 460 N GLU A 36 9.308 -3.354 -4.493 1.00 0.00 N ATOM 461 CA GLU A 36 8.084 -3.311 -5.274 1.00 0.00 C ATOM 462 C GLU A 36 6.867 -3.352 -4.358 1.00 0.00 C ATOM 463 O GLU A 36 6.613 -4.360 -3.701 1.00 0.00 O ATOM 464 CB GLU A 36 8.038 -4.486 -6.248 1.00 0.00 C ATOM 465 CG GLU A 36 9.097 -4.424 -7.347 1.00 0.00 C ATOM 466 CD GLU A 36 9.171 -5.706 -8.150 1.00 0.00 C ATOM 467 OE1 GLU A 36 8.299 -5.923 -9.017 1.00 0.00 O ATOM 468 OE2 GLU A 36 10.103 -6.509 -7.922 1.00 0.00 O ATOM 0 H GLU A 36 9.342 -4.112 -3.812 1.00 0.00 H new ATOM 0 HA GLU A 36 8.068 -2.379 -5.839 1.00 0.00 H new ATOM 0 HB2 GLU A 36 8.163 -5.413 -5.689 1.00 0.00 H new ATOM 0 HB3 GLU A 36 7.051 -4.523 -6.710 1.00 0.00 H new ATOM 0 HG2 GLU A 36 8.875 -3.592 -8.015 1.00 0.00 H new ATOM 0 HG3 GLU A 36 10.070 -4.222 -6.899 1.00 0.00 H new ATOM 475 N VAL A 37 6.134 -2.253 -4.309 1.00 0.00 N ATOM 476 CA VAL A 37 4.921 -2.163 -3.501 1.00 0.00 C ATOM 477 C VAL A 37 3.768 -1.603 -4.333 1.00 0.00 C ATOM 478 O VAL A 37 3.934 -0.614 -5.048 1.00 0.00 O ATOM 479 CB VAL A 37 5.140 -1.314 -2.207 1.00 0.00 C ATOM 480 CG1 VAL A 37 6.367 -0.426 -2.344 1.00 0.00 C ATOM 481 CG2 VAL A 37 3.913 -0.471 -1.868 1.00 0.00 C ATOM 0 H VAL A 37 6.357 -1.401 -4.823 1.00 0.00 H new ATOM 0 HA VAL A 37 4.664 -3.172 -3.180 1.00 0.00 H new ATOM 0 HB VAL A 37 5.301 -2.013 -1.386 1.00 0.00 H new ATOM 0 HG11 VAL A 37 6.499 0.155 -1.431 1.00 0.00 H new ATOM 0 HG12 VAL A 37 7.248 -1.046 -2.510 1.00 0.00 H new ATOM 0 HG13 VAL A 37 6.234 0.250 -3.189 1.00 0.00 H new ATOM 0 HG21 VAL A 37 4.106 0.104 -0.962 1.00 0.00 H new ATOM 0 HG22 VAL A 37 3.700 0.210 -2.692 1.00 0.00 H new ATOM 0 HG23 VAL A 37 3.056 -1.125 -1.707 1.00 0.00 H new ATOM 491 N ASP A 38 2.609 -2.248 -4.247 1.00 0.00 N ATOM 492 CA ASP A 38 1.427 -1.810 -4.987 1.00 0.00 C ATOM 493 C ASP A 38 0.222 -1.781 -4.048 1.00 0.00 C ATOM 494 O ASP A 38 0.243 -2.393 -2.977 1.00 0.00 O ATOM 495 CB ASP A 38 1.092 -2.761 -6.164 1.00 0.00 C ATOM 496 CG ASP A 38 2.180 -2.904 -7.206 1.00 0.00 C ATOM 497 OD1 ASP A 38 2.786 -3.999 -7.276 1.00 0.00 O ATOM 498 OD2 ASP A 38 2.391 -1.961 -7.992 1.00 0.00 O ATOM 0 H ASP A 38 2.461 -3.077 -3.672 1.00 0.00 H new ATOM 0 HA ASP A 38 1.644 -0.820 -5.387 1.00 0.00 H new ATOM 0 HB2 ASP A 38 0.866 -3.748 -5.760 1.00 0.00 H new ATOM 0 HB3 ASP A 38 0.187 -2.402 -6.654 1.00 0.00 H new ATOM 503 N LEU A 39 -0.829 -1.096 -4.472 1.00 0.00 N ATOM 504 CA LEU A 39 -2.090 -1.093 -3.740 1.00 0.00 C ATOM 505 C LEU A 39 -3.118 -1.933 -4.516 1.00 0.00 C ATOM 506 O LEU A 39 -3.314 -1.725 -5.717 1.00 0.00 O ATOM 507 CB LEU A 39 -2.590 0.347 -3.499 1.00 0.00 C ATOM 508 CG LEU A 39 -2.060 1.038 -2.218 1.00 0.00 C ATOM 509 CD1 LEU A 39 -0.562 1.312 -2.281 1.00 0.00 C ATOM 510 CD2 LEU A 39 -2.809 2.329 -1.941 1.00 0.00 C ATOM 0 H LEU A 39 -0.835 -0.533 -5.322 1.00 0.00 H new ATOM 0 HA LEU A 39 -1.942 -1.538 -2.756 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -2.313 0.957 -4.359 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -3.679 0.331 -3.457 1.00 0.00 H new ATOM 0 HG LEU A 39 -2.236 0.341 -1.399 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -0.242 1.797 -1.359 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -0.025 0.371 -2.402 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -0.347 1.964 -3.128 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -2.415 2.791 -1.036 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -2.682 3.011 -2.782 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -3.869 2.113 -1.806 1.00 0.00 H new ATOM 522 N LEU A 40 -3.737 -2.904 -3.836 1.00 0.00 N ATOM 523 CA LEU A 40 -4.568 -3.923 -4.490 1.00 0.00 C ATOM 524 C LEU A 40 -6.006 -3.972 -3.967 1.00 0.00 C ATOM 525 O LEU A 40 -6.353 -3.360 -2.955 1.00 0.00 O ATOM 526 CB LEU A 40 -3.995 -5.326 -4.267 1.00 0.00 C ATOM 527 CG LEU A 40 -2.552 -5.582 -4.693 1.00 0.00 C ATOM 528 CD1 LEU A 40 -2.333 -7.079 -4.821 1.00 0.00 C ATOM 529 CD2 LEU A 40 -2.198 -4.887 -6.001 1.00 0.00 C ATOM 0 H LEU A 40 -3.677 -3.006 -2.823 1.00 0.00 H new ATOM 0 HA LEU A 40 -4.569 -3.637 -5.542 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -4.076 -5.556 -3.205 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -4.631 -6.035 -4.796 1.00 0.00 H new ATOM 0 HG LEU A 40 -1.897 -5.165 -3.928 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -1.304 -7.272 -5.125 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -2.523 -7.558 -3.861 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -3.014 -7.484 -5.569 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -1.161 -5.102 -6.258 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -2.851 -5.250 -6.794 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -2.328 -3.811 -5.888 1.00 0.00 H new ATOM 541 N LYS A 41 -6.818 -4.748 -4.686 1.00 0.00 N ATOM 542 CA LYS A 41 -8.158 -5.136 -4.269 1.00 0.00 C ATOM 543 C LYS A 41 -8.257 -6.643 -4.337 1.00 0.00 C ATOM 544 O LYS A 41 -8.377 -7.185 -5.429 1.00 0.00 O ATOM 545 CB LYS A 41 -9.220 -4.579 -5.229 1.00 0.00 C ATOM 546 CG LYS A 41 -8.837 -3.240 -5.834 1.00 0.00 C ATOM 547 CD LYS A 41 -9.862 -2.692 -6.851 1.00 0.00 C ATOM 548 CE LYS A 41 -11.288 -2.567 -6.286 1.00 0.00 C ATOM 549 NZ LYS A 41 -11.313 -1.823 -5.001 1.00 0.00 N ATOM 0 H LYS A 41 -6.553 -5.130 -5.594 1.00 0.00 H new ATOM 0 HA LYS A 41 -8.330 -4.750 -3.264 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -9.388 -5.298 -6.031 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -10.164 -4.472 -4.694 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -8.713 -2.513 -5.032 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -7.870 -3.339 -6.327 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -9.530 -1.713 -7.196 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -9.882 -3.347 -7.722 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -11.922 -2.059 -7.012 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -11.708 -3.562 -6.137 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -12.299 -1.643 -4.723 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -10.843 -2.387 -4.264 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -10.815 -0.917 -5.115 1.00 0.00 H new ATOM 563 N ASN A 42 -8.245 -7.324 -3.196 1.00 0.00 N ATOM 564 CA ASN A 42 -8.344 -8.786 -3.187 1.00 0.00 C ATOM 565 C ASN A 42 -7.337 -9.397 -4.173 1.00 0.00 C ATOM 566 O ASN A 42 -7.663 -10.325 -4.914 1.00 0.00 O ATOM 567 CB ASN A 42 -9.773 -9.213 -3.595 1.00 0.00 C ATOM 568 CG ASN A 42 -10.873 -8.344 -3.041 1.00 0.00 C ATOM 569 OD1 ASN A 42 -11.516 -8.677 -2.051 1.00 0.00 O ATOM 570 ND2 ASN A 42 -11.102 -7.227 -3.726 1.00 0.00 N ATOM 0 H ASN A 42 -8.169 -6.896 -2.273 1.00 0.00 H new ATOM 0 HA ASN A 42 -8.122 -9.143 -2.181 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -9.841 -9.212 -4.683 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -9.939 -10.239 -3.266 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -11.847 -6.594 -3.435 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -10.533 -7.004 -4.542 1.00 0.00 H new ATOM 577 N GLY A 43 -6.116 -8.866 -4.180 1.00 0.00 N ATOM 578 CA GLY A 43 -5.111 -9.344 -5.117 1.00 0.00 C ATOM 579 C GLY A 43 -5.274 -8.814 -6.540 1.00 0.00 C ATOM 580 O GLY A 43 -4.837 -9.464 -7.488 1.00 0.00 O ATOM 0 H GLY A 43 -5.806 -8.119 -3.559 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -4.125 -9.063 -4.748 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -5.143 -10.433 -5.142 1.00 0.00 H new ATOM 584 N GLU A 44 -5.892 -7.650 -6.700 1.00 0.00 N ATOM 585 CA GLU A 44 -6.132 -7.075 -8.027 1.00 0.00 C ATOM 586 C GLU A 44 -5.616 -5.631 -8.055 1.00 0.00 C ATOM 587 O GLU A 44 -6.089 -4.786 -7.295 1.00 0.00 O ATOM 588 CB GLU A 44 -7.638 -7.160 -8.356 1.00 0.00 C ATOM 589 CG GLU A 44 -8.050 -6.656 -9.737 1.00 0.00 C ATOM 590 CD GLU A 44 -8.718 -5.297 -9.679 1.00 0.00 C ATOM 591 OE1 GLU A 44 -9.712 -5.153 -8.939 1.00 0.00 O ATOM 592 OE2 GLU A 44 -8.277 -4.376 -10.397 1.00 0.00 O ATOM 0 H GLU A 44 -6.239 -7.081 -5.928 1.00 0.00 H new ATOM 0 HA GLU A 44 -5.593 -7.635 -8.791 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -7.952 -8.199 -8.262 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -8.187 -6.592 -7.605 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -7.170 -6.598 -10.377 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -8.731 -7.374 -10.195 1.00 0.00 H new ATOM 599 N ARG A 45 -4.603 -5.382 -8.889 1.00 0.00 N ATOM 600 CA ARG A 45 -3.929 -4.074 -8.954 1.00 0.00 C ATOM 601 C ARG A 45 -4.919 -2.945 -9.234 1.00 0.00 C ATOM 602 O ARG A 45 -5.567 -2.913 -10.279 1.00 0.00 O ATOM 603 CB ARG A 45 -2.831 -4.078 -10.047 1.00 0.00 C ATOM 604 CG ARG A 45 -1.545 -3.352 -9.644 1.00 0.00 C ATOM 605 CD ARG A 45 -0.511 -3.251 -10.777 1.00 0.00 C ATOM 606 NE ARG A 45 -0.739 -2.091 -11.637 1.00 0.00 N ATOM 607 CZ ARG A 45 0.132 -1.087 -11.788 1.00 0.00 C ATOM 608 NH1 ARG A 45 1.290 -1.094 -11.136 1.00 0.00 N ATOM 609 NH2 ARG A 45 -0.154 -0.079 -12.603 1.00 0.00 N ATOM 0 H ARG A 45 -4.226 -6.074 -9.536 1.00 0.00 H new ATOM 0 HA ARG A 45 -3.471 -3.899 -7.980 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -2.589 -5.110 -10.300 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -3.230 -3.614 -10.949 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -1.797 -2.348 -9.303 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -1.095 -3.872 -8.798 1.00 0.00 H new ATOM 0 HD2 ARG A 45 0.489 -3.191 -10.348 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -0.546 -4.159 -11.379 1.00 0.00 H new ATOM 0 HE ARG A 45 -1.617 -2.044 -12.154 1.00 0.00 H new ATOM 0 HH11 ARG A 45 1.521 -1.869 -10.514 1.00 0.00 H new ATOM 0 HH12 ARG A 45 1.948 -0.324 -11.257 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -1.037 -0.071 -13.113 1.00 0.00 H new ATOM 0 HH22 ARG A 45 0.509 0.687 -12.719 1.00 0.00 H new ATOM 623 N ILE A 46 -5.005 -2.012 -8.279 1.00 0.00 N ATOM 624 CA ILE A 46 -5.893 -0.860 -8.378 1.00 0.00 C ATOM 625 C ILE A 46 -5.514 0.012 -9.566 1.00 0.00 C ATOM 626 O ILE A 46 -6.328 0.176 -10.472 1.00 0.00 O ATOM 627 CB ILE A 46 -5.860 -0.030 -7.074 1.00 0.00 C ATOM 628 CG1 ILE A 46 -6.284 -0.913 -5.897 1.00 0.00 C ATOM 629 CG2 ILE A 46 -6.764 1.199 -7.178 1.00 0.00 C ATOM 630 CD1 ILE A 46 -6.170 -0.262 -4.538 1.00 0.00 C ATOM 0 H ILE A 46 -4.459 -2.039 -7.418 1.00 0.00 H new ATOM 0 HA ILE A 46 -6.908 -1.229 -8.529 1.00 0.00 H new ATOM 0 HB ILE A 46 -4.842 0.324 -6.911 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -7.318 -1.224 -6.049 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -5.675 -1.817 -5.903 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -6.720 1.763 -6.246 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -6.427 1.830 -8.000 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -7.790 0.881 -7.362 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -6.492 -0.965 -3.770 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -5.134 0.023 -4.357 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -6.802 0.626 -4.506 1.00 0.00 H new ATOM 642 N GLU A 47 -4.330 0.647 -9.468 1.00 0.00 N ATOM 643 CA GLU A 47 -3.590 1.256 -10.605 1.00 0.00 C ATOM 644 C GLU A 47 -3.318 2.731 -10.349 1.00 0.00 C ATOM 645 O GLU A 47 -2.261 3.239 -10.721 1.00 0.00 O ATOM 646 CB GLU A 47 -4.303 1.136 -11.963 1.00 0.00 C ATOM 647 CG GLU A 47 -4.342 -0.275 -12.550 1.00 0.00 C ATOM 648 CD GLU A 47 -3.122 -0.608 -13.372 1.00 0.00 C ATOM 649 OE1 GLU A 47 -2.696 -1.778 -13.353 1.00 0.00 O ATOM 650 OE2 GLU A 47 -2.566 0.298 -14.022 1.00 0.00 O ATOM 0 H GLU A 47 -3.845 0.757 -8.577 1.00 0.00 H new ATOM 0 HA GLU A 47 -2.663 0.685 -10.664 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -5.326 1.496 -11.852 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -3.808 1.796 -12.676 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -4.434 -0.997 -11.739 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -5.231 -0.379 -13.172 1.00 0.00 H new ATOM 657 N LYS A 48 -4.258 3.425 -9.708 1.00 0.00 N ATOM 658 CA LYS A 48 -4.144 4.875 -9.534 1.00 0.00 C ATOM 659 C LYS A 48 -3.242 5.205 -8.348 1.00 0.00 C ATOM 660 O LYS A 48 -3.650 5.926 -7.439 1.00 0.00 O ATOM 661 CB LYS A 48 -5.521 5.513 -9.270 1.00 0.00 C ATOM 662 CG LYS A 48 -6.674 5.013 -10.142 1.00 0.00 C ATOM 663 CD LYS A 48 -6.372 5.148 -11.623 1.00 0.00 C ATOM 664 CE LYS A 48 -6.237 6.607 -12.038 1.00 0.00 C ATOM 665 NZ LYS A 48 -7.503 7.362 -11.828 1.00 0.00 N ATOM 0 H LYS A 48 -5.099 3.013 -9.304 1.00 0.00 H new ATOM 0 HA LYS A 48 -3.721 5.274 -10.456 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -5.783 5.344 -8.226 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -5.431 6.591 -9.405 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -6.878 3.968 -9.908 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -7.577 5.575 -9.904 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -5.450 4.616 -11.857 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -7.167 4.677 -12.201 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -5.436 7.075 -11.466 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -5.952 6.661 -13.089 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -7.460 8.263 -12.346 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -8.305 6.800 -12.178 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -7.630 7.551 -10.813 1.00 0.00 H new ATOM 679 N VAL A 49 -2.026 4.700 -8.353 1.00 0.00 N ATOM 680 CA VAL A 49 -1.133 4.890 -7.227 1.00 0.00 C ATOM 681 C VAL A 49 0.140 5.573 -7.716 1.00 0.00 C ATOM 682 O VAL A 49 0.720 5.175 -8.729 1.00 0.00 O ATOM 683 CB VAL A 49 -0.829 3.542 -6.504 1.00 0.00 C ATOM 684 CG1 VAL A 49 0.598 3.066 -6.719 1.00 0.00 C ATOM 685 CG2 VAL A 49 -1.114 3.659 -5.020 1.00 0.00 C ATOM 0 H VAL A 49 -1.633 4.156 -9.121 1.00 0.00 H new ATOM 0 HA VAL A 49 -1.616 5.529 -6.487 1.00 0.00 H new ATOM 0 HB VAL A 49 -1.489 2.797 -6.948 1.00 0.00 H new ATOM 0 HG11 VAL A 49 0.751 2.124 -6.192 1.00 0.00 H new ATOM 0 HG12 VAL A 49 0.776 2.919 -7.784 1.00 0.00 H new ATOM 0 HG13 VAL A 49 1.293 3.813 -6.335 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -0.896 2.709 -4.532 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -0.487 4.440 -4.590 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -2.164 3.912 -4.870 1.00 0.00 H new ATOM 695 N GLU A 50 0.542 6.632 -7.034 1.00 0.00 N ATOM 696 CA GLU A 50 1.713 7.407 -7.452 1.00 0.00 C ATOM 697 C GLU A 50 2.417 8.031 -6.251 1.00 0.00 C ATOM 698 O GLU A 50 1.847 8.888 -5.578 1.00 0.00 O ATOM 699 CB GLU A 50 1.310 8.546 -8.410 1.00 0.00 C ATOM 700 CG GLU A 50 0.713 8.133 -9.757 1.00 0.00 C ATOM 701 CD GLU A 50 0.460 9.335 -10.634 1.00 0.00 C ATOM 702 OE1 GLU A 50 1.431 9.844 -11.229 1.00 0.00 O ATOM 703 OE2 GLU A 50 -0.700 9.785 -10.722 1.00 0.00 O ATOM 0 H GLU A 50 0.082 6.979 -6.192 1.00 0.00 H new ATOM 0 HA GLU A 50 2.385 6.713 -7.958 1.00 0.00 H new ATOM 0 HB2 GLU A 50 0.587 9.181 -7.898 1.00 0.00 H new ATOM 0 HB3 GLU A 50 2.192 9.157 -8.602 1.00 0.00 H new ATOM 0 HG2 GLU A 50 1.392 7.447 -10.263 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -0.221 7.595 -9.594 1.00 0.00 H new ATOM 921 N LEU A 64 8.125 4.986 4.097 1.00 0.00 N ATOM 922 CA LEU A 64 7.720 4.786 2.701 1.00 0.00 C ATOM 923 C LEU A 64 6.205 4.677 2.648 1.00 0.00 C ATOM 924 O LEU A 64 5.614 3.846 3.346 1.00 0.00 O ATOM 925 CB LEU A 64 8.304 3.468 2.169 1.00 0.00 C ATOM 926 CG LEU A 64 9.632 3.539 1.410 1.00 0.00 C ATOM 927 CD1 LEU A 64 10.210 2.141 1.253 1.00 0.00 C ATOM 928 CD2 LEU A 64 9.417 4.179 0.046 1.00 0.00 C ATOM 0 HA LEU A 64 8.079 5.622 2.100 1.00 0.00 H new ATOM 0 HB2 LEU A 64 8.435 2.793 3.014 1.00 0.00 H new ATOM 0 HB3 LEU A 64 7.564 3.014 1.510 1.00 0.00 H new ATOM 0 HG LEU A 64 10.336 4.150 1.975 1.00 0.00 H new ATOM 0 HD11 LEU A 64 11.155 2.197 0.712 1.00 0.00 H new ATOM 0 HD12 LEU A 64 10.380 1.705 2.237 1.00 0.00 H new ATOM 0 HD13 LEU A 64 9.510 1.518 0.697 1.00 0.00 H new ATOM 0 HD21 LEU A 64 10.366 4.226 -0.488 1.00 0.00 H new ATOM 0 HD22 LEU A 64 8.707 3.583 -0.528 1.00 0.00 H new ATOM 0 HD23 LEU A 64 9.023 5.187 0.175 1.00 0.00 H new ATOM 940 N LEU A 65 5.580 5.515 1.834 1.00 0.00 N ATOM 941 CA LEU A 65 4.135 5.509 1.697 1.00 0.00 C ATOM 942 C LEU A 65 3.724 5.802 0.258 1.00 0.00 C ATOM 943 O LEU A 65 4.445 6.471 -0.474 1.00 0.00 O ATOM 944 CB LEU A 65 3.527 6.552 2.646 1.00 0.00 C ATOM 945 CG LEU A 65 2.026 6.808 2.495 1.00 0.00 C ATOM 946 CD1 LEU A 65 1.242 5.537 2.748 1.00 0.00 C ATOM 947 CD2 LEU A 65 1.580 7.912 3.443 1.00 0.00 C ATOM 0 H LEU A 65 6.055 6.209 1.257 1.00 0.00 H new ATOM 0 HA LEU A 65 3.762 4.519 1.959 1.00 0.00 H new ATOM 0 HB2 LEU A 65 3.719 6.236 3.671 1.00 0.00 H new ATOM 0 HB3 LEU A 65 4.052 7.496 2.500 1.00 0.00 H new ATOM 0 HG LEU A 65 1.830 7.131 1.473 1.00 0.00 H new ATOM 0 HD11 LEU A 65 0.177 5.738 2.636 1.00 0.00 H new ATOM 0 HD12 LEU A 65 1.544 4.774 2.031 1.00 0.00 H new ATOM 0 HD13 LEU A 65 1.440 5.183 3.760 1.00 0.00 H new ATOM 0 HD21 LEU A 65 0.510 8.083 3.324 1.00 0.00 H new ATOM 0 HD22 LEU A 65 1.788 7.615 4.471 1.00 0.00 H new ATOM 0 HD23 LEU A 65 2.122 8.830 3.214 1.00 0.00 H new ATOM 959 N TYR A 66 2.588 5.245 -0.144 1.00 0.00 N ATOM 960 CA TYR A 66 1.995 5.510 -1.447 1.00 0.00 C ATOM 961 C TYR A 66 0.524 5.872 -1.270 1.00 0.00 C ATOM 962 O TYR A 66 -0.059 5.567 -0.232 1.00 0.00 O ATOM 963 CB TYR A 66 2.128 4.267 -2.333 1.00 0.00 C ATOM 964 CG TYR A 66 3.557 4.008 -2.779 1.00 0.00 C ATOM 965 CD1 TYR A 66 3.980 4.372 -4.051 1.00 0.00 C ATOM 966 CD2 TYR A 66 4.486 3.419 -1.927 1.00 0.00 C ATOM 967 CE1 TYR A 66 5.280 4.155 -4.464 1.00 0.00 C ATOM 968 CE2 TYR A 66 5.791 3.202 -2.336 1.00 0.00 C ATOM 969 CZ TYR A 66 6.180 3.571 -3.604 1.00 0.00 C ATOM 970 OH TYR A 66 7.474 3.357 -4.015 1.00 0.00 O ATOM 0 H TYR A 66 2.050 4.594 0.428 1.00 0.00 H new ATOM 0 HA TYR A 66 2.513 6.342 -1.924 1.00 0.00 H new ATOM 0 HB2 TYR A 66 1.760 3.398 -1.788 1.00 0.00 H new ATOM 0 HB3 TYR A 66 1.494 4.384 -3.212 1.00 0.00 H new ATOM 0 HD1 TYR A 66 3.279 4.834 -4.730 1.00 0.00 H new ATOM 0 HD2 TYR A 66 4.185 3.127 -0.932 1.00 0.00 H new ATOM 0 HE1 TYR A 66 5.588 4.443 -5.458 1.00 0.00 H new ATOM 0 HE2 TYR A 66 6.501 2.745 -1.663 1.00 0.00 H new ATOM 0 HH TYR A 66 7.982 2.938 -3.290 1.00 0.00 H new ATOM 980 N TYR A 67 -0.089 6.505 -2.267 1.00 0.00 N ATOM 981 CA TYR A 67 -1.490 6.883 -2.133 1.00 0.00 C ATOM 982 C TYR A 67 -2.287 6.591 -3.402 1.00 0.00 C ATOM 983 O TYR A 67 -1.810 6.806 -4.518 1.00 0.00 O ATOM 984 CB TYR A 67 -1.665 8.350 -1.691 1.00 0.00 C ATOM 985 CG TYR A 67 -0.849 9.387 -2.449 1.00 0.00 C ATOM 986 CD1 TYR A 67 0.242 10.001 -1.847 1.00 0.00 C ATOM 987 CD2 TYR A 67 -1.181 9.775 -3.743 1.00 0.00 C ATOM 988 CE1 TYR A 67 0.975 10.967 -2.511 1.00 0.00 C ATOM 989 CE2 TYR A 67 -0.449 10.737 -4.413 1.00 0.00 C ATOM 990 CZ TYR A 67 0.627 11.329 -3.791 1.00 0.00 C ATOM 991 OH TYR A 67 1.359 12.291 -4.449 1.00 0.00 O ATOM 0 H TYR A 67 0.348 6.761 -3.152 1.00 0.00 H new ATOM 0 HA TYR A 67 -1.897 6.258 -1.338 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -2.719 8.611 -1.783 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -1.410 8.421 -0.634 1.00 0.00 H new ATOM 0 HD1 TYR A 67 0.522 9.719 -0.843 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -2.027 9.316 -4.233 1.00 0.00 H new ATOM 0 HE1 TYR A 67 1.818 11.436 -2.026 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -0.720 11.023 -5.419 1.00 0.00 H new ATOM 0 HH TYR A 67 0.985 12.431 -5.344 1.00 0.00 H new ATOM 1001 N THR A 68 -3.496 6.067 -3.208 1.00 0.00 N ATOM 1002 CA THR A 68 -4.412 5.760 -4.300 1.00 0.00 C ATOM 1003 C THR A 68 -5.826 6.216 -3.916 1.00 0.00 C ATOM 1004 O THR A 68 -6.103 6.490 -2.746 1.00 0.00 O ATOM 1005 CB THR A 68 -4.407 4.247 -4.658 1.00 0.00 C ATOM 1006 OG1 THR A 68 -4.805 4.072 -6.019 1.00 0.00 O ATOM 1007 CG2 THR A 68 -5.349 3.444 -3.779 1.00 0.00 C ATOM 0 H THR A 68 -3.867 5.843 -2.285 1.00 0.00 H new ATOM 0 HA THR A 68 -4.077 6.297 -5.187 1.00 0.00 H new ATOM 0 HB THR A 68 -3.392 3.885 -4.497 1.00 0.00 H new ATOM 0 HG1 THR A 68 -4.722 4.924 -6.496 1.00 0.00 H new ATOM 0 HG21 THR A 68 -5.310 2.394 -4.068 1.00 0.00 H new ATOM 0 HG22 THR A 68 -5.048 3.545 -2.736 1.00 0.00 H new ATOM 0 HG23 THR A 68 -6.366 3.816 -3.901 1.00 0.00 H new ATOM 1015 N GLU A 69 -6.703 6.283 -4.905 1.00 0.00 N ATOM 1016 CA GLU A 69 -8.057 6.810 -4.746 1.00 0.00 C ATOM 1017 C GLU A 69 -9.016 5.646 -4.477 1.00 0.00 C ATOM 1018 O GLU A 69 -9.075 4.710 -5.276 1.00 0.00 O ATOM 1019 CB GLU A 69 -8.451 7.530 -6.051 1.00 0.00 C ATOM 1020 CG GLU A 69 -9.936 7.821 -6.200 1.00 0.00 C ATOM 1021 CD GLU A 69 -10.344 7.981 -7.649 1.00 0.00 C ATOM 1022 OE1 GLU A 69 -10.420 9.129 -8.132 1.00 0.00 O ATOM 1023 OE2 GLU A 69 -10.593 6.953 -8.316 1.00 0.00 O ATOM 0 H GLU A 69 -6.496 5.970 -5.854 1.00 0.00 H new ATOM 0 HA GLU A 69 -8.105 7.509 -3.911 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -7.904 8.471 -6.109 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -8.129 6.921 -6.896 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -10.510 7.011 -5.750 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -10.183 8.730 -5.652 1.00 0.00 H new ATOM 1030 N PHE A 70 -9.759 5.675 -3.367 1.00 0.00 N ATOM 1031 CA PHE A 70 -10.592 4.526 -3.019 1.00 0.00 C ATOM 1032 C PHE A 70 -12.023 4.886 -2.706 1.00 0.00 C ATOM 1033 O PHE A 70 -12.302 5.963 -2.236 1.00 0.00 O ATOM 1034 CB PHE A 70 -9.969 3.776 -1.838 1.00 0.00 C ATOM 1035 CG PHE A 70 -10.156 4.364 -0.445 1.00 0.00 C ATOM 1036 CD1 PHE A 70 -11.413 4.622 0.085 1.00 0.00 C ATOM 1037 CD2 PHE A 70 -9.050 4.626 0.347 1.00 0.00 C ATOM 1038 CE1 PHE A 70 -11.562 5.134 1.360 1.00 0.00 C ATOM 1039 CE2 PHE A 70 -9.195 5.142 1.628 1.00 0.00 C ATOM 1040 CZ PHE A 70 -10.454 5.394 2.132 1.00 0.00 C ATOM 0 H PHE A 70 -9.800 6.457 -2.713 1.00 0.00 H new ATOM 0 HA PHE A 70 -10.626 3.888 -3.902 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -10.375 2.764 -1.832 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -8.899 3.689 -2.024 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -12.291 4.419 -0.510 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -8.061 4.426 -0.037 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -12.550 5.330 1.751 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -8.322 5.346 2.230 1.00 0.00 H new ATOM 0 HZ PHE A 70 -10.569 5.794 3.129 1.00 0.00 H new ATOM 1050 N THR A 71 -12.925 3.964 -2.962 1.00 0.00 N ATOM 1051 CA THR A 71 -14.299 4.102 -2.513 1.00 0.00 C ATOM 1052 C THR A 71 -14.795 2.769 -1.948 1.00 0.00 C ATOM 1053 O THR A 71 -14.948 1.805 -2.695 1.00 0.00 O ATOM 1054 CB THR A 71 -15.189 4.575 -3.684 1.00 0.00 C ATOM 1055 OG1 THR A 71 -14.654 5.795 -4.216 1.00 0.00 O ATOM 1056 CG2 THR A 71 -16.623 4.809 -3.242 1.00 0.00 C ATOM 0 H THR A 71 -12.734 3.107 -3.480 1.00 0.00 H new ATOM 0 HA THR A 71 -14.351 4.850 -1.722 1.00 0.00 H new ATOM 0 HB THR A 71 -15.194 3.793 -4.443 1.00 0.00 H new ATOM 0 HG1 THR A 71 -15.213 6.100 -4.961 1.00 0.00 H new ATOM 0 HG21 THR A 71 -17.217 5.141 -4.094 1.00 0.00 H new ATOM 0 HG22 THR A 71 -17.039 3.881 -2.849 1.00 0.00 H new ATOM 0 HG23 THR A 71 -16.644 5.574 -2.465 1.00 0.00 H new ATOM 1064 N PRO A 72 -15.005 2.661 -0.613 1.00 0.00 N ATOM 1065 CA PRO A 72 -15.437 1.406 -0.020 1.00 0.00 C ATOM 1066 C PRO A 72 -16.878 1.090 -0.343 1.00 0.00 C ATOM 1067 O PRO A 72 -17.763 1.942 -0.270 1.00 0.00 O ATOM 1068 CB PRO A 72 -15.251 1.579 1.491 1.00 0.00 C ATOM 1069 CG PRO A 72 -14.887 3.017 1.728 1.00 0.00 C ATOM 1070 CD PRO A 72 -14.853 3.732 0.396 1.00 0.00 C ATOM 0 HA PRO A 72 -14.855 0.573 -0.416 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -16.166 1.320 2.024 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -14.468 0.917 1.861 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -15.613 3.487 2.391 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -13.916 3.086 2.219 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -15.657 4.464 0.320 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -13.916 4.272 0.261 1.00 0.00 H new ATOM 1078 N THR A 73 -17.074 -0.153 -0.710 1.00 0.00 N ATOM 1079 CA THR A 73 -18.373 -0.681 -1.057 1.00 0.00 C ATOM 1080 C THR A 73 -18.585 -1.950 -0.252 1.00 0.00 C ATOM 1081 O THR A 73 -17.628 -2.494 0.287 1.00 0.00 O ATOM 1082 CB THR A 73 -18.441 -1.010 -2.565 1.00 0.00 C ATOM 1083 OG1 THR A 73 -17.549 -2.094 -2.857 1.00 0.00 O ATOM 1084 CG2 THR A 73 -18.061 0.205 -3.399 1.00 0.00 C ATOM 0 H THR A 73 -16.322 -0.839 -0.777 1.00 0.00 H new ATOM 0 HA THR A 73 -19.145 0.056 -0.835 1.00 0.00 H new ATOM 0 HB THR A 73 -19.463 -1.295 -2.815 1.00 0.00 H new ATOM 0 HG1 THR A 73 -16.793 -1.762 -3.386 1.00 0.00 H new ATOM 0 HG21 THR A 73 -18.116 -0.049 -4.458 1.00 0.00 H new ATOM 0 HG22 THR A 73 -18.750 1.022 -3.186 1.00 0.00 H new ATOM 0 HG23 THR A 73 -17.045 0.513 -3.152 1.00 0.00 H new ATOM 1092 N GLU A 74 -19.813 -2.420 -0.156 1.00 0.00 N ATOM 1093 CA GLU A 74 -20.090 -3.701 0.478 1.00 0.00 C ATOM 1094 C GLU A 74 -19.337 -4.869 -0.215 1.00 0.00 C ATOM 1095 O GLU A 74 -19.321 -5.995 0.275 1.00 0.00 O ATOM 1096 CB GLU A 74 -21.617 -3.910 0.498 1.00 0.00 C ATOM 1097 CG GLU A 74 -22.053 -5.334 0.770 1.00 0.00 C ATOM 1098 CD GLU A 74 -21.675 -5.809 2.158 1.00 0.00 C ATOM 1099 OE1 GLU A 74 -21.242 -6.972 2.293 1.00 0.00 O ATOM 1100 OE2 GLU A 74 -21.804 -5.019 3.119 1.00 0.00 O ATOM 0 H GLU A 74 -20.639 -1.936 -0.509 1.00 0.00 H new ATOM 0 HA GLU A 74 -19.718 -3.692 1.502 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -22.050 -3.260 1.258 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -22.027 -3.595 -0.462 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -23.134 -5.408 0.647 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -21.602 -5.995 0.030 1.00 0.00 H new ATOM 1107 N LYS A 75 -18.673 -4.593 -1.333 1.00 0.00 N ATOM 1108 CA LYS A 75 -18.033 -5.648 -2.110 1.00 0.00 C ATOM 1109 C LYS A 75 -16.488 -5.677 -2.021 1.00 0.00 C ATOM 1110 O LYS A 75 -15.913 -6.759 -1.928 1.00 0.00 O ATOM 1111 CB LYS A 75 -18.455 -5.529 -3.582 1.00 0.00 C ATOM 1112 CG LYS A 75 -19.968 -5.588 -3.829 1.00 0.00 C ATOM 1113 CD LYS A 75 -20.508 -7.019 -3.940 1.00 0.00 C ATOM 1114 CE LYS A 75 -20.519 -7.763 -2.609 1.00 0.00 C ATOM 1115 NZ LYS A 75 -19.262 -8.519 -2.370 1.00 0.00 N ATOM 0 H LYS A 75 -18.565 -3.655 -1.719 1.00 0.00 H new ATOM 0 HA LYS A 75 -18.374 -6.585 -1.669 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -18.074 -4.588 -3.979 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -17.978 -6.330 -4.147 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -20.482 -5.075 -3.016 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -20.201 -5.047 -4.746 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -21.522 -6.988 -4.340 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -19.901 -7.575 -4.654 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -20.670 -7.050 -1.799 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -21.363 -8.452 -2.588 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -18.951 -8.375 -1.388 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -19.430 -9.532 -2.535 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -18.524 -8.180 -3.020 1.00 0.00 H new ATOM 1129 N ASP A 76 -15.812 -4.524 -2.029 1.00 0.00 N ATOM 1130 CA ASP A 76 -14.383 -4.502 -2.358 1.00 0.00 C ATOM 1131 C ASP A 76 -13.453 -4.463 -1.117 1.00 0.00 C ATOM 1132 O ASP A 76 -13.613 -3.630 -0.225 1.00 0.00 O ATOM 1133 CB ASP A 76 -14.072 -3.294 -3.253 1.00 0.00 C ATOM 1134 CG ASP A 76 -14.982 -3.186 -4.462 1.00 0.00 C ATOM 1135 OD1 ASP A 76 -15.001 -4.124 -5.283 1.00 0.00 O ATOM 1136 OD2 ASP A 76 -15.645 -2.144 -4.619 1.00 0.00 O ATOM 0 H ASP A 76 -16.219 -3.613 -1.817 1.00 0.00 H new ATOM 0 HA ASP A 76 -14.180 -5.439 -2.877 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -14.157 -2.382 -2.662 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -13.038 -3.359 -3.591 1.00 0.00 H new ATOM 1141 N GLU A 77 -12.446 -5.343 -1.126 1.00 0.00 N ATOM 1142 CA GLU A 77 -11.393 -5.430 -0.095 1.00 0.00 C ATOM 1143 C GLU A 77 -10.162 -4.650 -0.585 1.00 0.00 C ATOM 1144 O GLU A 77 -9.939 -4.555 -1.794 1.00 0.00 O ATOM 1145 CB GLU A 77 -11.026 -6.909 0.092 1.00 0.00 C ATOM 1146 CG GLU A 77 -9.812 -7.179 0.969 1.00 0.00 C ATOM 1147 CD GLU A 77 -9.328 -8.613 0.867 1.00 0.00 C ATOM 1148 OE1 GLU A 77 -8.477 -8.892 -0.007 1.00 0.00 O ATOM 1149 OE2 GLU A 77 -9.784 -9.464 1.658 1.00 0.00 O ATOM 0 H GLU A 77 -12.333 -6.034 -1.867 1.00 0.00 H new ATOM 0 HA GLU A 77 -11.738 -5.011 0.850 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -11.884 -7.426 0.521 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -10.847 -7.348 -0.890 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -9.004 -6.505 0.683 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -10.061 -6.956 2.007 1.00 0.00 H new ATOM 1156 N TYR A 78 -9.378 -4.081 0.326 1.00 0.00 N ATOM 1157 CA TYR A 78 -8.161 -3.355 -0.061 1.00 0.00 C ATOM 1158 C TYR A 78 -6.916 -3.965 0.591 1.00 0.00 C ATOM 1159 O TYR A 78 -6.911 -4.241 1.791 1.00 0.00 O ATOM 1160 CB TYR A 78 -8.286 -1.864 0.296 1.00 0.00 C ATOM 1161 CG TYR A 78 -9.334 -1.130 -0.517 1.00 0.00 C ATOM 1162 CD1 TYR A 78 -10.686 -1.292 -0.246 1.00 0.00 C ATOM 1163 CD2 TYR A 78 -8.970 -0.290 -1.564 1.00 0.00 C ATOM 1164 CE1 TYR A 78 -11.648 -0.640 -1.001 1.00 0.00 C ATOM 1165 CE2 TYR A 78 -9.925 0.367 -2.314 1.00 0.00 C ATOM 1166 CZ TYR A 78 -11.260 0.186 -2.031 1.00 0.00 C ATOM 1167 OH TYR A 78 -12.211 0.824 -2.793 1.00 0.00 O ATOM 0 H TYR A 78 -9.557 -4.105 1.330 1.00 0.00 H new ATOM 0 HA TYR A 78 -8.047 -3.445 -1.141 1.00 0.00 H new ATOM 0 HB2 TYR A 78 -8.529 -1.772 1.354 1.00 0.00 H new ATOM 0 HB3 TYR A 78 -7.320 -1.381 0.148 1.00 0.00 H new ATOM 0 HD1 TYR A 78 -10.993 -1.936 0.565 1.00 0.00 H new ATOM 0 HD2 TYR A 78 -7.924 -0.149 -1.794 1.00 0.00 H new ATOM 0 HE1 TYR A 78 -12.696 -0.779 -0.782 1.00 0.00 H new ATOM 0 HE2 TYR A 78 -9.626 1.021 -3.120 1.00 0.00 H new ATOM 0 HH TYR A 78 -13.078 0.781 -2.338 1.00 0.00 H new ATOM 1177 N ALA A 79 -5.868 -4.183 -0.213 1.00 0.00 N ATOM 1178 CA ALA A 79 -4.634 -4.818 0.253 1.00 0.00 C ATOM 1179 C ALA A 79 -3.400 -4.100 -0.298 1.00 0.00 C ATOM 1180 O ALA A 79 -3.498 -3.394 -1.295 1.00 0.00 O ATOM 1181 CB ALA A 79 -4.608 -6.273 -0.190 1.00 0.00 C ATOM 0 H ALA A 79 -5.853 -3.925 -1.200 1.00 0.00 H new ATOM 0 HA ALA A 79 -4.612 -4.758 1.341 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -3.688 -6.743 0.158 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -5.466 -6.797 0.232 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -4.651 -6.323 -1.278 1.00 0.00 H new ATOM 1187 N CYS A 80 -2.237 -4.273 0.340 1.00 0.00 N ATOM 1188 CA CYS A 80 -1.010 -3.680 -0.185 1.00 0.00 C ATOM 1189 C CYS A 80 0.135 -4.704 -0.271 1.00 0.00 C ATOM 1190 O CYS A 80 0.517 -5.324 0.718 1.00 0.00 O ATOM 1191 CB CYS A 80 -0.664 -2.414 0.608 1.00 0.00 C ATOM 1192 SG CYS A 80 -1.591 -0.989 -0.043 1.00 0.00 S ATOM 0 H CYS A 80 -2.123 -4.807 1.201 1.00 0.00 H new ATOM 0 HA CYS A 80 -1.173 -3.371 -1.217 1.00 0.00 H new ATOM 0 HB2 CYS A 80 -0.901 -2.560 1.662 1.00 0.00 H new ATOM 0 HB3 CYS A 80 0.407 -2.219 0.546 1.00 0.00 H new ATOM 1197 N ARG A 81 0.633 -4.890 -1.498 1.00 0.00 N ATOM 1198 CA ARG A 81 1.596 -5.954 -1.848 1.00 0.00 C ATOM 1199 C ARG A 81 3.025 -5.413 -1.853 1.00 0.00 C ATOM 1200 O ARG A 81 3.275 -4.363 -2.434 1.00 0.00 O ATOM 1201 CB ARG A 81 1.253 -6.452 -3.260 1.00 0.00 C ATOM 1202 CG ARG A 81 1.830 -7.813 -3.671 1.00 0.00 C ATOM 1203 CD ARG A 81 1.210 -8.268 -5.001 1.00 0.00 C ATOM 1204 NE ARG A 81 1.414 -7.247 -6.035 1.00 0.00 N ATOM 1205 CZ ARG A 81 1.241 -7.441 -7.341 1.00 0.00 C ATOM 1206 NH1 ARG A 81 0.885 -8.631 -7.806 1.00 0.00 N ATOM 1207 NH2 ARG A 81 1.451 -6.440 -8.188 1.00 0.00 N ATOM 0 H ARG A 81 0.379 -4.301 -2.291 1.00 0.00 H new ATOM 0 HA ARG A 81 1.532 -6.757 -1.114 1.00 0.00 H new ATOM 0 HB2 ARG A 81 0.168 -6.502 -3.349 1.00 0.00 H new ATOM 0 HB3 ARG A 81 1.597 -5.706 -3.977 1.00 0.00 H new ATOM 0 HG2 ARG A 81 2.913 -7.743 -3.771 1.00 0.00 H new ATOM 0 HG3 ARG A 81 1.629 -8.552 -2.895 1.00 0.00 H new ATOM 0 HD2 ARG A 81 1.660 -9.209 -5.316 1.00 0.00 H new ATOM 0 HD3 ARG A 81 0.144 -8.453 -4.868 1.00 0.00 H new ATOM 0 HE ARG A 81 1.710 -6.320 -5.731 1.00 0.00 H new ATOM 0 HH11 ARG A 81 0.741 -9.408 -7.161 1.00 0.00 H new ATOM 0 HH12 ARG A 81 0.755 -8.769 -8.808 1.00 0.00 H new ATOM 0 HH21 ARG A 81 1.743 -5.528 -7.837 1.00 0.00 H new ATOM 0 HH22 ARG A 81 1.320 -6.583 -9.189 1.00 0.00 H new ATOM 1221 N VAL A 82 3.960 -6.116 -1.214 1.00 0.00 N ATOM 1222 CA VAL A 82 5.361 -5.681 -1.250 1.00 0.00 C ATOM 1223 C VAL A 82 6.331 -6.843 -1.459 1.00 0.00 C ATOM 1224 O VAL A 82 6.145 -7.940 -0.925 1.00 0.00 O ATOM 1225 CB VAL A 82 5.758 -4.888 0.019 1.00 0.00 C ATOM 1226 CG1 VAL A 82 6.154 -5.808 1.164 1.00 0.00 C ATOM 1227 CG2 VAL A 82 6.876 -3.909 -0.302 1.00 0.00 C ATOM 0 H VAL A 82 3.784 -6.966 -0.679 1.00 0.00 H new ATOM 0 HA VAL A 82 5.438 -5.018 -2.111 1.00 0.00 H new ATOM 0 HB VAL A 82 4.883 -4.328 0.348 1.00 0.00 H new ATOM 0 HG11 VAL A 82 6.425 -5.210 2.034 1.00 0.00 H new ATOM 0 HG12 VAL A 82 5.315 -6.457 1.416 1.00 0.00 H new ATOM 0 HG13 VAL A 82 7.006 -6.417 0.863 1.00 0.00 H new ATOM 0 HG21 VAL A 82 7.146 -3.357 0.598 1.00 0.00 H new ATOM 0 HG22 VAL A 82 7.745 -4.456 -0.667 1.00 0.00 H new ATOM 0 HG23 VAL A 82 6.539 -3.211 -1.068 1.00 0.00 H new ATOM 1237 N ASN A 83 7.350 -6.581 -2.272 1.00 0.00 N ATOM 1238 CA ASN A 83 8.411 -7.548 -2.526 1.00 0.00 C ATOM 1239 C ASN A 83 9.771 -6.881 -2.533 1.00 0.00 C ATOM 1240 O ASN A 83 9.920 -5.734 -2.959 1.00 0.00 O ATOM 1241 CB ASN A 83 8.196 -8.272 -3.861 1.00 0.00 C ATOM 1242 CG ASN A 83 9.064 -9.514 -3.980 1.00 0.00 C ATOM 1243 OD1 ASN A 83 9.431 -10.127 -2.977 1.00 0.00 O ATOM 1244 ND2 ASN A 83 9.391 -9.905 -5.203 1.00 0.00 N ATOM 0 H ASN A 83 7.463 -5.698 -2.770 1.00 0.00 H new ATOM 0 HA ASN A 83 8.377 -8.277 -1.717 1.00 0.00 H new ATOM 0 HB2 ASN A 83 7.147 -8.552 -3.957 1.00 0.00 H new ATOM 0 HB3 ASN A 83 8.421 -7.592 -4.683 1.00 0.00 H new ATOM 0 HD21 ASN A 83 9.964 -10.738 -5.336 1.00 0.00 H new ATOM 0 HD22 ASN A 83 9.069 -9.373 -6.012 1.00 0.00 H new ATOM 1251 N HIS A 84 10.748 -7.613 -2.034 1.00 0.00 N ATOM 1252 CA HIS A 84 12.137 -7.212 -2.103 1.00 0.00 C ATOM 1253 C HIS A 84 12.941 -8.379 -2.662 1.00 0.00 C ATOM 1254 O HIS A 84 12.452 -9.514 -2.652 1.00 0.00 O ATOM 1255 CB HIS A 84 12.659 -6.812 -0.711 1.00 0.00 C ATOM 1256 CG HIS A 84 14.034 -6.211 -0.718 1.00 0.00 C ATOM 1257 ND1 HIS A 84 15.160 -6.994 -0.657 1.00 0.00 N ATOM 1258 CD2 HIS A 84 14.403 -4.912 -0.773 1.00 0.00 C ATOM 1259 CE1 HIS A 84 16.182 -6.159 -0.679 1.00 0.00 C ATOM 1260 NE2 HIS A 84 15.773 -4.887 -0.749 1.00 0.00 N ATOM 0 H HIS A 84 10.598 -8.507 -1.567 1.00 0.00 H new ATOM 0 HA HIS A 84 12.240 -6.343 -2.752 1.00 0.00 H new ATOM 0 HB2 HIS A 84 11.965 -6.098 -0.267 1.00 0.00 H new ATOM 0 HB3 HIS A 84 12.663 -7.694 -0.070 1.00 0.00 H new ATOM 0 HD2 HIS A 84 13.745 -4.058 -0.826 1.00 0.00 H new ATOM 0 HE1 HIS A 84 17.217 -6.464 -0.645 1.00 0.00 H new ATOM 0 HE2 HIS A 84 16.367 -4.058 -0.779 1.00 0.00 H new ATOM 1268 N VAL A 85 14.146 -8.118 -3.153 1.00 0.00 N ATOM 1269 CA VAL A 85 15.001 -9.179 -3.695 1.00 0.00 C ATOM 1270 C VAL A 85 15.121 -10.352 -2.715 1.00 0.00 C ATOM 1271 O VAL A 85 15.195 -11.514 -3.127 1.00 0.00 O ATOM 1272 CB VAL A 85 16.417 -8.657 -4.035 1.00 0.00 C ATOM 1273 CG1 VAL A 85 17.252 -9.739 -4.710 1.00 0.00 C ATOM 1274 CG2 VAL A 85 16.339 -7.419 -4.919 1.00 0.00 C ATOM 0 H VAL A 85 14.557 -7.185 -3.189 1.00 0.00 H new ATOM 0 HA VAL A 85 14.524 -9.523 -4.612 1.00 0.00 H new ATOM 0 HB VAL A 85 16.905 -8.384 -3.099 1.00 0.00 H new ATOM 0 HG11 VAL A 85 18.242 -9.345 -4.938 1.00 0.00 H new ATOM 0 HG12 VAL A 85 17.347 -10.595 -4.042 1.00 0.00 H new ATOM 0 HG13 VAL A 85 16.765 -10.052 -5.633 1.00 0.00 H new ATOM 0 HG21 VAL A 85 17.346 -7.069 -5.145 1.00 0.00 H new ATOM 0 HG22 VAL A 85 15.824 -7.666 -5.847 1.00 0.00 H new ATOM 0 HG23 VAL A 85 15.791 -6.634 -4.398 1.00 0.00 H new ATOM 1284 N THR A 86 15.092 -10.051 -1.418 1.00 0.00 N ATOM 1285 CA THR A 86 15.249 -11.091 -0.397 1.00 0.00 C ATOM 1286 C THR A 86 14.055 -12.053 -0.386 1.00 0.00 C ATOM 1287 O THR A 86 14.242 -13.261 -0.549 1.00 0.00 O ATOM 1288 CB THR A 86 15.476 -10.510 1.028 1.00 0.00 C ATOM 1289 OG1 THR A 86 15.454 -11.562 2.004 1.00 0.00 O ATOM 1290 CG2 THR A 86 14.433 -9.456 1.385 1.00 0.00 C ATOM 0 H THR A 86 14.963 -9.108 -1.050 1.00 0.00 H new ATOM 0 HA THR A 86 16.147 -11.644 -0.672 1.00 0.00 H new ATOM 0 HB THR A 86 16.454 -10.029 1.030 1.00 0.00 H new ATOM 0 HG1 THR A 86 15.599 -11.184 2.896 1.00 0.00 H new ATOM 0 HG21 THR A 86 14.628 -9.076 2.388 1.00 0.00 H new ATOM 0 HG22 THR A 86 14.485 -8.635 0.670 1.00 0.00 H new ATOM 0 HG23 THR A 86 13.439 -9.902 1.353 1.00 0.00 H new ATOM 1298 N LEU A 87 12.838 -11.529 -0.194 1.00 0.00 N ATOM 1299 CA LEU A 87 11.639 -12.371 -0.147 1.00 0.00 C ATOM 1300 C LEU A 87 11.541 -13.270 -1.368 1.00 0.00 C ATOM 1301 O LEU A 87 11.484 -14.490 -1.242 1.00 0.00 O ATOM 1302 CB LEU A 87 10.367 -11.530 -0.072 1.00 0.00 C ATOM 1303 CG LEU A 87 10.268 -10.569 1.111 1.00 0.00 C ATOM 1304 CD1 LEU A 87 9.085 -9.647 0.918 1.00 0.00 C ATOM 1305 CD2 LEU A 87 10.139 -11.332 2.422 1.00 0.00 C ATOM 0 H LEU A 87 12.659 -10.533 -0.070 1.00 0.00 H new ATOM 0 HA LEU A 87 11.730 -12.981 0.752 1.00 0.00 H new ATOM 0 HB2 LEU A 87 10.283 -10.952 -0.992 1.00 0.00 H new ATOM 0 HB3 LEU A 87 9.511 -12.204 -0.040 1.00 0.00 H new ATOM 0 HG LEU A 87 11.181 -9.976 1.158 1.00 0.00 H new ATOM 0 HD11 LEU A 87 9.016 -8.962 1.763 1.00 0.00 H new ATOM 0 HD12 LEU A 87 9.214 -9.077 -0.002 1.00 0.00 H new ATOM 0 HD13 LEU A 87 8.171 -10.237 0.853 1.00 0.00 H new ATOM 0 HD21 LEU A 87 10.070 -10.625 3.249 1.00 0.00 H new ATOM 0 HD22 LEU A 87 9.241 -11.950 2.397 1.00 0.00 H new ATOM 0 HD23 LEU A 87 11.013 -11.968 2.560 1.00 0.00 H new ATOM 1317 N SER A 88 11.522 -12.638 -2.546 1.00 0.00 N ATOM 1318 CA SER A 88 11.347 -13.321 -3.831 1.00 0.00 C ATOM 1319 C SER A 88 9.872 -13.657 -4.074 1.00 0.00 C ATOM 1320 O SER A 88 9.452 -13.853 -5.212 1.00 0.00 O ATOM 1321 CB SER A 88 12.222 -14.574 -3.924 1.00 0.00 C ATOM 1322 OG SER A 88 13.583 -14.259 -3.661 1.00 0.00 O ATOM 0 H SER A 88 11.629 -11.627 -2.635 1.00 0.00 H new ATOM 0 HA SER A 88 11.672 -12.638 -4.616 1.00 0.00 H new ATOM 0 HB2 SER A 88 11.873 -15.321 -3.211 1.00 0.00 H new ATOM 0 HB3 SER A 88 12.131 -15.014 -4.917 1.00 0.00 H new ATOM 0 HG SER A 88 14.125 -15.073 -3.724 1.00 0.00 H new ATOM 1328 N GLN A 89 9.089 -13.713 -3.001 1.00 0.00 N ATOM 1329 CA GLN A 89 7.645 -13.842 -3.115 1.00 0.00 C ATOM 1330 C GLN A 89 6.978 -12.747 -2.271 1.00 0.00 C ATOM 1331 O GLN A 89 7.111 -12.740 -1.046 1.00 0.00 O ATOM 1332 CB GLN A 89 7.148 -15.247 -2.698 1.00 0.00 C ATOM 1333 CG GLN A 89 7.403 -15.633 -1.242 1.00 0.00 C ATOM 1334 CD GLN A 89 8.832 -16.057 -0.967 1.00 0.00 C ATOM 1335 OE1 GLN A 89 9.344 -15.870 0.136 1.00 0.00 O ATOM 1336 NE2 GLN A 89 9.484 -16.649 -1.957 1.00 0.00 N ATOM 0 H GLN A 89 9.434 -13.671 -2.042 1.00 0.00 H new ATOM 0 HA GLN A 89 7.368 -13.719 -4.162 1.00 0.00 H new ATOM 0 HB2 GLN A 89 6.076 -15.305 -2.888 1.00 0.00 H new ATOM 0 HB3 GLN A 89 7.626 -15.987 -3.340 1.00 0.00 H new ATOM 0 HG2 GLN A 89 7.155 -14.787 -0.602 1.00 0.00 H new ATOM 0 HG3 GLN A 89 6.732 -16.447 -0.968 1.00 0.00 H new ATOM 0 HE21 GLN A 89 9.027 -16.787 -2.858 1.00 0.00 H new ATOM 0 HE22 GLN A 89 10.443 -16.967 -1.818 1.00 0.00 H new ATOM 1345 N PRO A 90 6.296 -11.771 -2.904 1.00 0.00 N ATOM 1346 CA PRO A 90 5.665 -10.667 -2.169 1.00 0.00 C ATOM 1347 C PRO A 90 4.498 -11.103 -1.300 1.00 0.00 C ATOM 1348 O PRO A 90 3.894 -12.154 -1.519 1.00 0.00 O ATOM 1349 CB PRO A 90 5.175 -9.713 -3.249 1.00 0.00 C ATOM 1350 CG PRO A 90 5.083 -10.533 -4.498 1.00 0.00 C ATOM 1351 CD PRO A 90 6.107 -11.653 -4.365 1.00 0.00 C ATOM 0 HA PRO A 90 6.380 -10.221 -1.478 1.00 0.00 H new ATOM 0 HB2 PRO A 90 4.206 -9.288 -2.987 1.00 0.00 H new ATOM 0 HB3 PRO A 90 5.865 -8.879 -3.378 1.00 0.00 H new ATOM 0 HG2 PRO A 90 4.079 -10.940 -4.621 1.00 0.00 H new ATOM 0 HG3 PRO A 90 5.289 -9.923 -5.377 1.00 0.00 H new ATOM 0 HD2 PRO A 90 5.743 -12.584 -4.800 1.00 0.00 H new ATOM 0 HD3 PRO A 90 7.040 -11.407 -4.873 1.00 0.00 H new ATOM 1359 N LYS A 91 4.190 -10.281 -0.307 1.00 0.00 N ATOM 1360 CA LYS A 91 3.112 -10.571 0.620 1.00 0.00 C ATOM 1361 C LYS A 91 1.968 -9.569 0.439 1.00 0.00 C ATOM 1362 O LYS A 91 2.178 -8.452 -0.040 1.00 0.00 O ATOM 1363 CB LYS A 91 3.618 -10.509 2.067 1.00 0.00 C ATOM 1364 CG LYS A 91 4.983 -11.158 2.308 1.00 0.00 C ATOM 1365 CD LYS A 91 5.015 -12.631 1.914 1.00 0.00 C ATOM 1366 CE LYS A 91 4.549 -13.534 3.050 1.00 0.00 C ATOM 1367 NZ LYS A 91 3.100 -13.356 3.354 1.00 0.00 N ATOM 0 H LYS A 91 4.676 -9.403 -0.124 1.00 0.00 H new ATOM 0 HA LYS A 91 2.746 -11.576 0.411 1.00 0.00 H new ATOM 0 HB2 LYS A 91 3.671 -9.464 2.372 1.00 0.00 H new ATOM 0 HB3 LYS A 91 2.885 -10.992 2.713 1.00 0.00 H new ATOM 0 HG2 LYS A 91 5.742 -10.618 1.741 1.00 0.00 H new ATOM 0 HG3 LYS A 91 5.244 -11.063 3.362 1.00 0.00 H new ATOM 0 HD2 LYS A 91 4.380 -12.787 1.042 1.00 0.00 H new ATOM 0 HD3 LYS A 91 6.029 -12.907 1.623 1.00 0.00 H new ATOM 0 HE2 LYS A 91 4.738 -14.574 2.785 1.00 0.00 H new ATOM 0 HE3 LYS A 91 5.135 -13.321 3.944 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 2.697 -14.263 3.665 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 2.988 -12.650 4.109 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 2.603 -13.031 2.500 1.00 0.00 H new ATOM 1381 N ILE A 92 0.768 -9.983 0.827 1.00 0.00 N ATOM 1382 CA ILE A 92 -0.394 -9.100 0.803 1.00 0.00 C ATOM 1383 C ILE A 92 -0.867 -8.781 2.218 1.00 0.00 C ATOM 1384 O ILE A 92 -0.962 -9.663 3.074 1.00 0.00 O ATOM 1385 CB ILE A 92 -1.574 -9.660 -0.061 1.00 0.00 C ATOM 1386 CG1 ILE A 92 -1.626 -8.960 -1.425 1.00 0.00 C ATOM 1387 CG2 ILE A 92 -2.918 -9.514 0.637 1.00 0.00 C ATOM 1388 CD1 ILE A 92 -1.364 -7.478 -1.345 1.00 0.00 C ATOM 0 H ILE A 92 0.573 -10.926 1.163 1.00 0.00 H new ATOM 0 HA ILE A 92 -0.067 -8.178 0.323 1.00 0.00 H new ATOM 0 HB ILE A 92 -1.383 -10.724 -0.203 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -0.891 -9.417 -2.088 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -2.606 -9.125 -1.873 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -3.705 -9.916 -0.001 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -2.900 -10.061 1.580 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -3.113 -8.460 0.833 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -1.416 -7.045 -2.344 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -2.114 -7.010 -0.707 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -0.373 -7.306 -0.926 1.00 0.00 H new ATOM 1400 N VAL A 93 -1.132 -7.501 2.452 1.00 0.00 N ATOM 1401 CA VAL A 93 -1.713 -7.034 3.701 1.00 0.00 C ATOM 1402 C VAL A 93 -3.049 -6.395 3.403 1.00 0.00 C ATOM 1403 O VAL A 93 -3.136 -5.479 2.593 1.00 0.00 O ATOM 1404 CB VAL A 93 -0.815 -6.003 4.416 1.00 0.00 C ATOM 1405 CG1 VAL A 93 -0.488 -4.818 3.526 1.00 0.00 C ATOM 1406 CG2 VAL A 93 -1.463 -5.517 5.700 1.00 0.00 C ATOM 0 H VAL A 93 -0.949 -6.758 1.778 1.00 0.00 H new ATOM 0 HA VAL A 93 -1.821 -7.894 4.362 1.00 0.00 H new ATOM 0 HB VAL A 93 0.118 -6.512 4.656 1.00 0.00 H new ATOM 0 HG11 VAL A 93 0.146 -4.118 4.070 1.00 0.00 H new ATOM 0 HG12 VAL A 93 0.036 -5.165 2.636 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -1.411 -4.318 3.232 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -0.810 -4.791 6.185 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -2.420 -5.048 5.470 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -1.625 -6.363 6.368 1.00 0.00 H new ATOM 1416 N LYS A 94 -4.092 -6.875 4.025 1.00 0.00 N ATOM 1417 CA LYS A 94 -5.406 -6.359 3.737 1.00 0.00 C ATOM 1418 C LYS A 94 -5.904 -5.520 4.899 1.00 0.00 C ATOM 1419 O LYS A 94 -5.630 -5.821 6.060 1.00 0.00 O ATOM 1420 CB LYS A 94 -6.364 -7.500 3.449 1.00 0.00 C ATOM 1421 CG LYS A 94 -5.811 -8.496 2.452 1.00 0.00 C ATOM 1422 CD LYS A 94 -6.426 -9.861 2.650 1.00 0.00 C ATOM 1423 CE LYS A 94 -5.910 -10.500 3.925 1.00 0.00 C ATOM 1424 NZ LYS A 94 -4.503 -10.961 3.792 1.00 0.00 N ATOM 0 H LYS A 94 -4.061 -7.614 4.727 1.00 0.00 H new ATOM 0 HA LYS A 94 -5.352 -5.724 2.853 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -6.596 -8.017 4.380 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -7.301 -7.094 3.068 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -6.008 -8.148 1.438 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -4.728 -8.562 2.561 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -7.512 -9.774 2.694 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -6.192 -10.498 1.797 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -5.980 -9.783 4.743 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -6.545 -11.346 4.188 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -4.258 -11.566 4.602 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -4.397 -11.503 2.911 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -3.868 -10.137 3.770 1.00 0.00 H new ATOM 1438 N TRP A 95 -6.630 -4.471 4.576 1.00 0.00 N ATOM 1439 CA TRP A 95 -7.099 -3.529 5.584 1.00 0.00 C ATOM 1440 C TRP A 95 -8.294 -4.114 6.336 1.00 0.00 C ATOM 1441 O TRP A 95 -9.267 -4.567 5.726 1.00 0.00 O ATOM 1442 CB TRP A 95 -7.440 -2.175 4.929 1.00 0.00 C ATOM 1443 CG TRP A 95 -7.992 -1.129 5.867 1.00 0.00 C ATOM 1444 CD1 TRP A 95 -7.479 -0.734 7.075 1.00 0.00 C ATOM 1445 CD2 TRP A 95 -9.161 -0.320 5.649 1.00 0.00 C ATOM 1446 NE1 TRP A 95 -8.262 0.241 7.627 1.00 0.00 N ATOM 1447 CE2 TRP A 95 -9.304 0.517 6.779 1.00 0.00 C ATOM 1448 CE3 TRP A 95 -10.105 -0.222 4.613 1.00 0.00 C ATOM 1449 CZ2 TRP A 95 -10.350 1.425 6.906 1.00 0.00 C ATOM 1450 CZ3 TRP A 95 -11.138 0.684 4.736 1.00 0.00 C ATOM 1451 CH2 TRP A 95 -11.261 1.496 5.874 1.00 0.00 C ATOM 0 H TRP A 95 -6.912 -4.244 3.622 1.00 0.00 H new ATOM 0 HA TRP A 95 -6.306 -3.353 6.311 1.00 0.00 H new ATOM 0 HB2 TRP A 95 -6.539 -1.780 4.459 1.00 0.00 H new ATOM 0 HB3 TRP A 95 -8.166 -2.346 4.134 1.00 0.00 H new ATOM 0 HD1 TRP A 95 -6.584 -1.136 7.526 1.00 0.00 H new ATOM 0 HE1 TRP A 95 -8.097 0.692 8.527 1.00 0.00 H new ATOM 0 HE3 TRP A 95 -10.023 -0.846 3.735 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 -10.445 2.051 7.781 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 -11.865 0.770 3.942 1.00 0.00 H new ATOM 0 HH2 TRP A 95 -12.086 2.190 5.943 1.00 0.00 H new ATOM 1462 N ASP A 96 -8.199 -4.112 7.660 1.00 0.00 N ATOM 1463 CA ASP A 96 -9.217 -4.708 8.528 1.00 0.00 C ATOM 1464 C ASP A 96 -10.528 -3.938 8.431 1.00 0.00 C ATOM 1465 O ASP A 96 -10.699 -2.916 9.095 1.00 0.00 O ATOM 1466 CB ASP A 96 -8.736 -4.717 9.985 1.00 0.00 C ATOM 1467 CG ASP A 96 -7.529 -5.611 10.207 1.00 0.00 C ATOM 1468 OD1 ASP A 96 -7.706 -6.743 10.706 1.00 0.00 O ATOM 1469 OD2 ASP A 96 -6.398 -5.189 9.886 1.00 0.00 O ATOM 0 H ASP A 96 -7.416 -3.698 8.166 1.00 0.00 H new ATOM 0 HA ASP A 96 -9.384 -5.733 8.196 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -8.487 -3.699 10.286 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -9.551 -5.050 10.628 1.00 0.00 H new ATOM 1474 N ARG A 97 -11.457 -4.436 7.615 1.00 0.00 N ATOM 1475 CA ARG A 97 -12.764 -3.797 7.473 1.00 0.00 C ATOM 1476 C ARG A 97 -13.680 -4.660 6.599 1.00 0.00 C ATOM 1477 O ARG A 97 -14.898 -4.491 6.597 1.00 0.00 O ATOM 1478 CB ARG A 97 -12.592 -2.374 6.881 1.00 0.00 C ATOM 1479 CG ARG A 97 -12.694 -2.296 5.347 1.00 0.00 C ATOM 1480 CD ARG A 97 -14.140 -2.212 4.855 1.00 0.00 C ATOM 1481 NE ARG A 97 -14.246 -2.411 3.419 1.00 0.00 N ATOM 1482 CZ ARG A 97 -15.406 -2.574 2.793 1.00 0.00 C ATOM 1483 NH1 ARG A 97 -16.551 -2.414 3.447 1.00 0.00 N ATOM 1484 NH2 ARG A 97 -15.422 -2.897 1.515 1.00 0.00 N ATOM 0 H ARG A 97 -11.330 -5.273 7.047 1.00 0.00 H new ATOM 0 HA ARG A 97 -13.231 -3.702 8.453 1.00 0.00 H new ATOM 0 HB2 ARG A 97 -13.349 -1.721 7.315 1.00 0.00 H new ATOM 0 HB3 ARG A 97 -11.621 -1.983 7.187 1.00 0.00 H new ATOM 0 HG2 ARG A 97 -12.143 -1.424 4.994 1.00 0.00 H new ATOM 0 HG3 ARG A 97 -12.216 -3.173 4.910 1.00 0.00 H new ATOM 0 HD2 ARG A 97 -14.741 -2.962 5.369 1.00 0.00 H new ATOM 0 HD3 ARG A 97 -14.555 -1.238 5.116 1.00 0.00 H new ATOM 0 HE ARG A 97 -13.389 -2.426 2.866 1.00 0.00 H new ATOM 0 HH11 ARG A 97 -16.543 -2.164 4.436 1.00 0.00 H new ATOM 0 HH12 ARG A 97 -17.438 -2.541 2.960 1.00 0.00 H new ATOM 0 HH21 ARG A 97 -14.545 -3.021 1.009 1.00 0.00 H new ATOM 0 HH22 ARG A 97 -16.311 -3.023 1.032 1.00 0.00 H new ATOM 1498 N ASP A 98 -13.079 -5.618 5.910 1.00 0.00 N ATOM 1499 CA ASP A 98 -13.774 -6.410 4.886 1.00 0.00 C ATOM 1500 C ASP A 98 -13.016 -7.712 4.589 1.00 0.00 C ATOM 1501 O ASP A 98 -13.495 -8.562 3.839 1.00 0.00 O ATOM 1502 CB ASP A 98 -13.911 -5.594 3.602 1.00 0.00 C ATOM 1503 CG ASP A 98 -14.774 -6.277 2.552 1.00 0.00 C ATOM 1504 OD1 ASP A 98 -14.232 -6.703 1.514 1.00 0.00 O ATOM 1505 OD2 ASP A 98 -16.001 -6.384 2.768 1.00 0.00 O ATOM 0 H ASP A 98 -12.100 -5.874 6.038 1.00 0.00 H new ATOM 0 HA ASP A 98 -14.763 -6.664 5.266 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -14.341 -4.621 3.841 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -12.920 -5.411 3.187 1.00 0.00 H new ATOM 1510 N MET A 99 -11.844 -7.876 5.202 1.00 0.00 N ATOM 1511 CA MET A 99 -11.012 -9.065 4.977 1.00 0.00 C ATOM 1512 C MET A 99 -11.748 -10.331 5.404 1.00 0.00 C ATOM 1513 CB MET A 99 -9.646 -8.974 5.698 1.00 0.00 C ATOM 1514 CG MET A 99 -9.579 -7.980 6.877 1.00 0.00 C ATOM 1515 SD MET A 99 -10.919 -8.153 8.076 1.00 0.00 S ATOM 1516 CE MET A 99 -10.559 -9.774 8.755 1.00 0.00 C ATOM 0 H MET A 99 -11.447 -7.203 5.858 1.00 0.00 H new ATOM 0 HA MET A 99 -10.814 -9.111 3.906 1.00 0.00 H new ATOM 0 HB2 MET A 99 -9.383 -9.966 6.067 1.00 0.00 H new ATOM 0 HB3 MET A 99 -8.887 -8.694 4.967 1.00 0.00 H new ATOM 0 HG2 MET A 99 -8.627 -8.110 7.393 1.00 0.00 H new ATOM 0 HG3 MET A 99 -9.591 -6.964 6.481 1.00 0.00 H new ATOM 0 HE1 MET A 99 -10.865 -9.807 9.801 1.00 0.00 H new ATOM 0 HE2 MET A 99 -11.104 -10.533 8.193 1.00 0.00 H new ATOM 0 HE3 MET A 99 -9.489 -9.969 8.684 1.00 0.00 H new