USER MOD reduce.3.24.130724 H: found=0, std=0, add=890, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 886 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 12 ASN : amide:sc= -0.287 X(o=-0.29,f=-0.26) USER MOD Single : A 15 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 17 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 24 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 HIS : no HD1:sc= -0.0104 X(o=-0.01,f=0) USER MOD Single : A 33 MET CE :methyl 146:sc= -7.38! (180deg=-9.81!) USER MOD Single : A 34 MET CE :methyl 170:sc= -0.766 (180deg=-0.968) USER MOD Single : A 35 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 HIS :FLIP no HD1:sc= -7.39! C(o=-8.4!,f=-7.4!) USER MOD Single : A 38 GLN : amide:sc= -0.0957 K(o=-0.096,f=-1.4!) USER MOD Single : A 39 ASN : amide:sc= -0.714 K(o=-0.71,f=-3.1!) USER MOD Single : A 47 GLN : amide:sc= 0.0938 X(o=0.094,f=0) USER MOD Single : A 51 GLN : amide:sc= -1.27 X(o=-1.3,f=-1.1) USER MOD Single : A 53 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 SER OG : rot -172:sc= 1.4 USER MOD Single : B 12 ASN : amide:sc= -0.223 X(o=-0.22,f=-0.24) USER MOD Single : B 15 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 17 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 18 SER OG : rot 180:sc= 0 USER MOD Single : B 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 23 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 24 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 27 HIS : no HD1:sc= -0.0209 X(o=-0.021,f=0) USER MOD Single : B 33 MET CE :methyl 153:sc= -7.18! (180deg=-9.84!) USER MOD Single : B 34 MET CE :methyl 171:sc= -0.652 (180deg=-0.81) USER MOD Single : B 35 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 36 HIS :FLIP no HD1:sc= -7.01! C(o=-8.6!,f=-7!) USER MOD Single : B 38 GLN : amide:sc= -0.0954 K(o=-0.095,f=-1.5!) USER MOD Single : B 39 ASN : amide:sc= -0.701 K(o=-0.7,f=-3.1!) USER MOD Single : B 47 GLN : amide:sc= 0.0967 X(o=0.097,f=0) USER MOD Single : B 51 GLN : amide:sc= -1.32 X(o=-1.3,f=-1.1) USER MOD Single : B 53 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 54 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 63 SER OG : rot -173:sc= 1.4 USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 8 -11.162 6.507 -31.395 1.00 0.00 N ATOM 2 CA LEU A 8 -10.070 7.518 -31.292 1.00 0.00 C ATOM 3 C LEU A 8 -10.552 8.739 -30.506 1.00 0.00 C ATOM 4 O LEU A 8 -11.422 9.467 -30.941 1.00 0.00 O ATOM 5 CB LEU A 8 -9.750 7.901 -32.737 1.00 0.00 C ATOM 6 CG LEU A 8 -8.290 7.569 -33.043 1.00 0.00 C ATOM 7 CD1 LEU A 8 -7.378 8.352 -32.098 1.00 0.00 C ATOM 8 CD2 LEU A 8 -8.057 6.069 -32.846 1.00 0.00 C ATOM 0 HA LEU A 8 -9.195 7.131 -30.769 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -10.407 7.363 -33.421 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -9.932 8.965 -32.891 1.00 0.00 H new ATOM 0 HG LEU A 8 -8.065 7.842 -34.074 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -6.337 8.114 -32.317 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -7.543 9.421 -32.235 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -7.603 8.080 -31.067 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -7.016 5.831 -33.064 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -8.283 5.798 -31.815 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -8.706 5.509 -33.519 1.00 0.00 H new ATOM 20 N GLU A 9 -9.993 8.971 -29.349 1.00 0.00 N ATOM 21 CA GLU A 9 -10.419 10.145 -28.536 1.00 0.00 C ATOM 22 C GLU A 9 -11.940 10.133 -28.341 1.00 0.00 C ATOM 23 O GLU A 9 -12.664 10.748 -29.098 1.00 0.00 O ATOM 24 CB GLU A 9 -9.992 11.367 -29.350 1.00 0.00 C ATOM 25 CG GLU A 9 -9.638 12.515 -28.403 1.00 0.00 C ATOM 26 CD GLU A 9 -8.131 12.775 -28.457 1.00 0.00 C ATOM 27 OE1 GLU A 9 -7.382 11.816 -28.374 1.00 0.00 O ATOM 28 OE2 GLU A 9 -7.753 13.929 -28.580 1.00 0.00 O ATOM 0 H GLU A 9 -9.260 8.398 -28.932 1.00 0.00 H new ATOM 0 HA GLU A 9 -9.973 10.141 -27.542 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -9.134 11.119 -29.974 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -10.797 11.670 -30.020 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -10.183 13.415 -28.686 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -9.939 12.267 -27.385 1.00 0.00 H new ATOM 35 N PRO A 10 -12.380 9.428 -27.327 1.00 0.00 N ATOM 36 CA PRO A 10 -13.834 9.341 -27.040 1.00 0.00 C ATOM 37 C PRO A 10 -14.343 10.664 -26.462 1.00 0.00 C ATOM 38 O PRO A 10 -15.370 11.173 -26.865 1.00 0.00 O ATOM 39 CB PRO A 10 -13.930 8.224 -26.005 1.00 0.00 C ATOM 40 CG PRO A 10 -12.589 8.189 -25.345 1.00 0.00 C ATOM 41 CD PRO A 10 -11.582 8.655 -26.365 1.00 0.00 C ATOM 0 HA PRO A 10 -14.435 9.145 -27.928 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -14.720 8.424 -25.282 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -14.163 7.269 -26.476 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -12.575 8.834 -24.467 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -12.354 7.181 -25.004 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -10.805 9.268 -25.908 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -11.083 7.814 -26.846 1.00 0.00 H new ATOM 49 N ASP A 11 -13.629 11.224 -25.520 1.00 0.00 N ATOM 50 CA ASP A 11 -14.057 12.519 -24.903 1.00 0.00 C ATOM 51 C ASP A 11 -15.416 12.358 -24.212 1.00 0.00 C ATOM 52 O ASP A 11 -15.496 12.218 -23.008 1.00 0.00 O ATOM 53 CB ASP A 11 -14.154 13.519 -26.060 1.00 0.00 C ATOM 54 CG ASP A 11 -13.103 14.615 -25.876 1.00 0.00 C ATOM 55 OD1 ASP A 11 -12.000 14.440 -26.369 1.00 0.00 O ATOM 56 OD2 ASP A 11 -13.417 15.611 -25.245 1.00 0.00 O ATOM 0 H ASP A 11 -12.761 10.838 -25.148 1.00 0.00 H new ATOM 0 HA ASP A 11 -13.352 12.856 -24.143 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -14.000 13.008 -27.010 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -15.151 13.958 -26.093 1.00 0.00 H new ATOM 61 N ASN A 12 -16.482 12.378 -24.962 1.00 0.00 N ATOM 62 CA ASN A 12 -17.830 12.226 -24.343 1.00 0.00 C ATOM 63 C ASN A 12 -18.817 11.635 -25.355 1.00 0.00 C ATOM 64 O ASN A 12 -20.015 11.794 -25.232 1.00 0.00 O ATOM 65 CB ASN A 12 -18.248 13.645 -23.953 1.00 0.00 C ATOM 66 CG ASN A 12 -18.308 14.521 -25.205 1.00 0.00 C ATOM 67 OD1 ASN A 12 -17.351 15.191 -25.539 1.00 0.00 O ATOM 68 ND2 ASN A 12 -19.401 14.546 -25.918 1.00 0.00 N ATOM 0 H ASN A 12 -16.479 12.493 -25.976 1.00 0.00 H new ATOM 0 HA ASN A 12 -17.816 11.553 -23.485 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -19.221 13.627 -23.462 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -17.538 14.061 -23.239 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -19.451 15.128 -26.755 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -20.205 13.984 -25.639 1.00 0.00 H new ATOM 75 N VAL A 13 -18.324 10.951 -26.351 1.00 0.00 N ATOM 76 CA VAL A 13 -19.238 10.350 -27.364 1.00 0.00 C ATOM 77 C VAL A 13 -20.070 9.227 -26.713 1.00 0.00 C ATOM 78 O VAL A 13 -21.283 9.281 -26.724 1.00 0.00 O ATOM 79 CB VAL A 13 -18.298 9.836 -28.476 1.00 0.00 C ATOM 80 CG1 VAL A 13 -18.902 8.627 -29.203 1.00 0.00 C ATOM 81 CG2 VAL A 13 -18.071 10.960 -29.489 1.00 0.00 C ATOM 0 H VAL A 13 -17.330 10.782 -26.507 1.00 0.00 H new ATOM 0 HA VAL A 13 -19.966 11.052 -27.771 1.00 0.00 H new ATOM 0 HB VAL A 13 -17.358 9.528 -28.018 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -18.216 8.289 -29.980 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -19.069 7.820 -28.490 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -19.851 8.912 -29.657 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -17.408 10.609 -30.280 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -19.026 11.258 -29.922 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -17.617 11.815 -28.988 1.00 0.00 H new ATOM 91 N PRO A 14 -19.395 8.248 -26.159 1.00 0.00 N ATOM 92 CA PRO A 14 -20.103 7.128 -25.498 1.00 0.00 C ATOM 93 C PRO A 14 -20.627 7.594 -24.143 1.00 0.00 C ATOM 94 O PRO A 14 -21.781 7.408 -23.809 1.00 0.00 O ATOM 95 CB PRO A 14 -19.021 6.070 -25.318 1.00 0.00 C ATOM 96 CG PRO A 14 -17.735 6.834 -25.287 1.00 0.00 C ATOM 97 CD PRO A 14 -17.938 8.091 -26.093 1.00 0.00 C ATOM 0 HA PRO A 14 -20.957 6.756 -26.064 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -19.168 5.507 -24.396 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -19.033 5.350 -26.136 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -17.457 7.076 -24.261 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -16.924 6.237 -25.704 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -17.467 8.950 -25.616 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -17.502 8.000 -27.088 1.00 0.00 H new ATOM 105 N MET A 15 -19.782 8.211 -23.366 1.00 0.00 N ATOM 106 CA MET A 15 -20.216 8.706 -22.034 1.00 0.00 C ATOM 107 C MET A 15 -19.082 9.494 -21.372 1.00 0.00 C ATOM 108 O MET A 15 -17.980 9.556 -21.879 1.00 0.00 O ATOM 109 CB MET A 15 -20.548 7.452 -21.226 1.00 0.00 C ATOM 110 CG MET A 15 -21.740 7.735 -20.311 1.00 0.00 C ATOM 111 SD MET A 15 -23.280 7.434 -21.214 1.00 0.00 S ATOM 112 CE MET A 15 -23.672 5.832 -20.468 1.00 0.00 C ATOM 0 H MET A 15 -18.806 8.394 -23.599 1.00 0.00 H new ATOM 0 HA MET A 15 -21.072 9.377 -22.102 1.00 0.00 H new ATOM 0 HB2 MET A 15 -20.780 6.625 -21.897 1.00 0.00 H new ATOM 0 HB3 MET A 15 -19.685 7.149 -20.633 1.00 0.00 H new ATOM 0 HG2 MET A 15 -21.693 7.098 -19.428 1.00 0.00 H new ATOM 0 HG3 MET A 15 -21.707 8.767 -19.962 1.00 0.00 H new ATOM 0 HE1 MET A 15 -24.604 5.453 -20.888 1.00 0.00 H new ATOM 0 HE2 MET A 15 -22.867 5.127 -20.676 1.00 0.00 H new ATOM 0 HE3 MET A 15 -23.782 5.950 -19.390 1.00 0.00 H new ATOM 122 N ASP A 16 -19.342 10.096 -20.244 1.00 0.00 N ATOM 123 CA ASP A 16 -18.276 10.879 -19.556 1.00 0.00 C ATOM 124 C ASP A 16 -18.715 11.242 -18.136 1.00 0.00 C ATOM 125 O ASP A 16 -19.036 12.378 -17.846 1.00 0.00 O ATOM 126 CB ASP A 16 -18.103 12.140 -20.403 1.00 0.00 C ATOM 127 CG ASP A 16 -16.806 12.848 -20.007 1.00 0.00 C ATOM 128 OD1 ASP A 16 -15.761 12.228 -20.109 1.00 0.00 O ATOM 129 OD2 ASP A 16 -16.880 13.999 -19.609 1.00 0.00 O ATOM 0 H ASP A 16 -20.245 10.080 -19.769 1.00 0.00 H new ATOM 0 HA ASP A 16 -17.346 10.317 -19.465 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -18.079 11.879 -21.461 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -18.953 12.807 -20.258 1.00 0.00 H new ATOM 134 N MET A 17 -18.732 10.287 -17.247 1.00 0.00 N ATOM 135 CA MET A 17 -19.149 10.579 -15.845 1.00 0.00 C ATOM 136 C MET A 17 -18.343 11.756 -15.288 1.00 0.00 C ATOM 137 O MET A 17 -18.860 12.596 -14.578 1.00 0.00 O ATOM 138 CB MET A 17 -18.840 9.301 -15.065 1.00 0.00 C ATOM 139 CG MET A 17 -17.347 8.983 -15.176 1.00 0.00 C ATOM 140 SD MET A 17 -17.018 7.366 -14.432 1.00 0.00 S ATOM 141 CE MET A 17 -16.646 6.481 -15.966 1.00 0.00 C ATOM 0 H MET A 17 -18.475 9.317 -17.430 1.00 0.00 H new ATOM 0 HA MET A 17 -20.202 10.854 -15.776 1.00 0.00 H new ATOM 0 HB2 MET A 17 -19.119 9.424 -14.019 1.00 0.00 H new ATOM 0 HB3 MET A 17 -19.429 8.472 -15.457 1.00 0.00 H new ATOM 0 HG2 MET A 17 -17.041 8.983 -16.222 1.00 0.00 H new ATOM 0 HG3 MET A 17 -16.762 9.753 -14.673 1.00 0.00 H new ATOM 0 HE1 MET A 17 -16.410 5.442 -15.738 1.00 0.00 H new ATOM 0 HE2 MET A 17 -17.511 6.520 -16.628 1.00 0.00 H new ATOM 0 HE3 MET A 17 -15.792 6.948 -16.458 1.00 0.00 H new ATOM 151 N SER A 18 -17.080 11.824 -15.609 1.00 0.00 N ATOM 152 CA SER A 18 -16.240 12.948 -15.102 1.00 0.00 C ATOM 153 C SER A 18 -15.955 13.943 -16.235 1.00 0.00 C ATOM 154 O SER A 18 -15.738 13.543 -17.362 1.00 0.00 O ATOM 155 CB SER A 18 -14.946 12.290 -14.626 1.00 0.00 C ATOM 156 OG SER A 18 -15.227 11.457 -13.508 1.00 0.00 O ATOM 0 H SER A 18 -16.593 11.151 -16.200 1.00 0.00 H new ATOM 0 HA SER A 18 -16.729 13.506 -14.304 1.00 0.00 H new ATOM 0 HB2 SER A 18 -14.506 11.702 -15.431 1.00 0.00 H new ATOM 0 HB3 SER A 18 -14.216 13.052 -14.352 1.00 0.00 H new ATOM 0 HG SER A 18 -14.399 11.032 -13.201 1.00 0.00 H new ATOM 162 N PRO A 19 -15.968 15.212 -15.905 1.00 0.00 N ATOM 163 CA PRO A 19 -15.712 16.268 -16.925 1.00 0.00 C ATOM 164 C PRO A 19 -14.238 16.283 -17.366 1.00 0.00 C ATOM 165 O PRO A 19 -13.588 17.302 -17.296 1.00 0.00 O ATOM 166 CB PRO A 19 -16.057 17.563 -16.190 1.00 0.00 C ATOM 167 CG PRO A 19 -15.868 17.240 -14.743 1.00 0.00 C ATOM 168 CD PRO A 19 -16.226 15.788 -14.579 1.00 0.00 C ATOM 0 HA PRO A 19 -16.292 16.114 -17.835 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -15.407 18.380 -16.501 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -17.081 17.874 -16.396 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -14.838 17.423 -14.436 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -16.503 17.869 -14.119 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -15.618 15.310 -13.810 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -17.268 15.664 -14.285 1.00 0.00 H new ATOM 176 N LYS A 20 -13.724 15.171 -17.838 1.00 0.00 N ATOM 177 CA LYS A 20 -12.295 15.106 -18.313 1.00 0.00 C ATOM 178 C LYS A 20 -11.321 15.543 -17.209 1.00 0.00 C ATOM 179 O LYS A 20 -10.645 14.724 -16.618 1.00 0.00 O ATOM 180 CB LYS A 20 -12.177 16.043 -19.533 1.00 0.00 C ATOM 181 CG LYS A 20 -13.455 16.007 -20.378 1.00 0.00 C ATOM 182 CD LYS A 20 -14.283 17.255 -20.077 1.00 0.00 C ATOM 183 CE LYS A 20 -14.539 18.030 -21.372 1.00 0.00 C ATOM 184 NZ LYS A 20 -15.714 17.361 -21.995 1.00 0.00 N ATOM 0 H LYS A 20 -14.237 14.293 -17.917 1.00 0.00 H new ATOM 0 HA LYS A 20 -12.035 14.082 -18.580 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -11.988 17.062 -19.196 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -11.324 15.746 -20.144 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -13.205 15.967 -21.438 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -14.031 15.109 -20.153 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -15.230 16.972 -19.618 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -13.758 17.887 -19.361 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -14.745 19.081 -21.169 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -13.671 17.997 -22.030 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -15.951 17.837 -22.889 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -15.486 16.364 -22.183 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -16.527 17.415 -21.349 1.00 0.00 H new ATOM 198 N ALA A 21 -11.237 16.821 -16.923 1.00 0.00 N ATOM 199 CA ALA A 21 -10.304 17.295 -15.856 1.00 0.00 C ATOM 200 C ALA A 21 -10.476 16.445 -14.597 1.00 0.00 C ATOM 201 O ALA A 21 -9.520 15.974 -14.014 1.00 0.00 O ATOM 202 CB ALA A 21 -10.713 18.744 -15.586 1.00 0.00 C ATOM 0 H ALA A 21 -11.775 17.555 -17.384 1.00 0.00 H new ATOM 0 HA ALA A 21 -9.258 17.218 -16.154 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -10.072 19.165 -14.811 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -10.608 19.328 -16.500 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -11.751 18.773 -15.254 1.00 0.00 H new ATOM 208 N LEU A 22 -11.694 16.227 -14.189 1.00 0.00 N ATOM 209 CA LEU A 22 -11.938 15.386 -12.987 1.00 0.00 C ATOM 210 C LEU A 22 -11.513 13.950 -13.285 1.00 0.00 C ATOM 211 O LEU A 22 -10.774 13.336 -12.541 1.00 0.00 O ATOM 212 CB LEU A 22 -13.451 15.448 -12.765 1.00 0.00 C ATOM 213 CG LEU A 22 -13.775 15.588 -11.276 1.00 0.00 C ATOM 214 CD1 LEU A 22 -13.005 14.536 -10.472 1.00 0.00 C ATOM 215 CD2 LEU A 22 -13.387 16.991 -10.808 1.00 0.00 C ATOM 0 H LEU A 22 -12.532 16.596 -14.638 1.00 0.00 H new ATOM 0 HA LEU A 22 -11.382 15.726 -12.113 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -13.870 16.291 -13.314 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -13.919 14.546 -13.161 1.00 0.00 H new ATOM 0 HG LEU A 22 -14.843 15.434 -11.119 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -13.241 14.643 -9.413 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -13.291 13.540 -10.809 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -11.934 14.676 -10.621 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -13.616 17.097 -9.748 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -12.320 17.145 -10.966 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -13.949 17.732 -11.376 1.00 0.00 H new ATOM 227 N GLN A 23 -11.982 13.417 -14.379 1.00 0.00 N ATOM 228 CA GLN A 23 -11.621 12.019 -14.753 1.00 0.00 C ATOM 229 C GLN A 23 -10.101 11.833 -14.716 1.00 0.00 C ATOM 230 O GLN A 23 -9.588 10.975 -14.025 1.00 0.00 O ATOM 231 CB GLN A 23 -12.147 11.849 -16.179 1.00 0.00 C ATOM 232 CG GLN A 23 -12.553 10.391 -16.402 1.00 0.00 C ATOM 233 CD GLN A 23 -13.356 10.278 -17.700 1.00 0.00 C ATOM 234 OE1 GLN A 23 -14.483 9.826 -17.693 1.00 0.00 O ATOM 235 NE2 GLN A 23 -12.819 10.672 -18.821 1.00 0.00 N ATOM 0 H GLN A 23 -12.603 13.892 -15.034 1.00 0.00 H new ATOM 0 HA GLN A 23 -12.044 11.285 -14.068 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -13.002 12.505 -16.343 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -11.380 12.138 -16.898 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -11.666 9.759 -16.454 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -13.149 10.035 -15.561 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -11.872 11.052 -18.827 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -13.346 10.600 -19.692 1.00 0.00 H new ATOM 244 N GLN A 24 -9.380 12.628 -15.456 1.00 0.00 N ATOM 245 CA GLN A 24 -7.894 12.496 -15.467 1.00 0.00 C ATOM 246 C GLN A 24 -7.327 12.752 -14.067 1.00 0.00 C ATOM 247 O GLN A 24 -6.461 12.040 -13.599 1.00 0.00 O ATOM 248 CB GLN A 24 -7.406 13.565 -16.446 1.00 0.00 C ATOM 249 CG GLN A 24 -6.586 12.906 -17.555 1.00 0.00 C ATOM 250 CD GLN A 24 -5.383 13.788 -17.895 1.00 0.00 C ATOM 251 OE1 GLN A 24 -5.501 14.732 -18.649 1.00 0.00 O ATOM 252 NE2 GLN A 24 -4.221 13.518 -17.364 1.00 0.00 N ATOM 0 H GLN A 24 -9.754 13.364 -16.054 1.00 0.00 H new ATOM 0 HA GLN A 24 -7.573 11.497 -15.761 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -8.256 14.096 -16.874 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -6.800 14.304 -15.922 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -6.248 11.920 -17.235 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -7.204 12.759 -18.441 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -4.122 12.725 -16.730 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -3.413 14.100 -17.583 1.00 0.00 H new ATOM 261 N LYS A 25 -7.806 13.764 -13.397 1.00 0.00 N ATOM 262 CA LYS A 25 -7.291 14.064 -12.030 1.00 0.00 C ATOM 263 C LYS A 25 -7.371 12.817 -11.145 1.00 0.00 C ATOM 264 O LYS A 25 -6.409 12.435 -10.507 1.00 0.00 O ATOM 265 CB LYS A 25 -8.209 15.162 -11.492 1.00 0.00 C ATOM 266 CG LYS A 25 -7.544 16.526 -11.685 1.00 0.00 C ATOM 267 CD LYS A 25 -8.614 17.585 -11.958 1.00 0.00 C ATOM 268 CE LYS A 25 -8.222 18.896 -11.274 1.00 0.00 C ATOM 269 NZ LYS A 25 -9.021 19.945 -11.969 1.00 0.00 N ATOM 0 H LYS A 25 -8.531 14.396 -13.736 1.00 0.00 H new ATOM 0 HA LYS A 25 -6.246 14.375 -12.044 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -9.167 15.136 -12.011 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -8.415 14.993 -10.435 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -6.973 16.792 -10.796 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -6.839 16.484 -12.516 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -8.721 17.741 -13.032 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -9.581 17.244 -11.587 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -8.448 18.869 -10.208 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -7.153 19.086 -11.368 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -8.807 20.875 -11.556 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -8.780 19.952 -12.981 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -10.035 19.741 -11.856 1.00 0.00 H new ATOM 283 N ILE A 26 -8.509 12.181 -11.099 1.00 0.00 N ATOM 284 CA ILE A 26 -8.648 10.961 -10.253 1.00 0.00 C ATOM 285 C ILE A 26 -7.777 9.829 -10.806 1.00 0.00 C ATOM 286 O ILE A 26 -6.917 9.307 -10.125 1.00 0.00 O ATOM 287 CB ILE A 26 -10.127 10.589 -10.336 1.00 0.00 C ATOM 288 CG1 ILE A 26 -10.969 11.709 -9.722 1.00 0.00 C ATOM 289 CG2 ILE A 26 -10.372 9.289 -9.567 1.00 0.00 C ATOM 290 CD1 ILE A 26 -12.455 11.405 -9.930 1.00 0.00 C ATOM 0 H ILE A 26 -9.349 12.453 -11.610 1.00 0.00 H new ATOM 0 HA ILE A 26 -8.328 11.133 -9.225 1.00 0.00 H new ATOM 0 HB ILE A 26 -10.408 10.452 -11.380 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -10.751 11.800 -8.658 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -10.714 12.664 -10.182 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -11.428 9.024 -9.627 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -9.772 8.490 -10.003 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -10.091 9.425 -8.523 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -13.054 12.203 -9.492 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -12.666 11.336 -10.997 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -12.704 10.459 -9.449 1.00 0.00 H new ATOM 302 N HIS A 27 -7.996 9.445 -12.034 1.00 0.00 N ATOM 303 CA HIS A 27 -7.182 8.345 -12.628 1.00 0.00 C ATOM 304 C HIS A 27 -5.689 8.671 -12.524 1.00 0.00 C ATOM 305 O HIS A 27 -4.848 7.798 -12.581 1.00 0.00 O ATOM 306 CB HIS A 27 -7.615 8.279 -14.092 1.00 0.00 C ATOM 307 CG HIS A 27 -6.920 7.131 -14.769 1.00 0.00 C ATOM 308 ND1 HIS A 27 -6.483 7.202 -16.083 1.00 0.00 N ATOM 309 CD2 HIS A 27 -6.578 5.876 -14.329 1.00 0.00 C ATOM 310 CE1 HIS A 27 -5.910 6.023 -16.384 1.00 0.00 C ATOM 311 NE2 HIS A 27 -5.940 5.178 -15.350 1.00 0.00 N ATOM 0 H HIS A 27 -8.703 9.845 -12.652 1.00 0.00 H new ATOM 0 HA HIS A 27 -7.334 7.396 -12.113 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -8.696 8.153 -14.157 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -7.372 9.214 -14.597 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -6.774 5.489 -13.340 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -5.478 5.788 -17.345 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -5.574 4.226 -15.316 1.00 0.00 H new ATOM 319 N GLU A 28 -5.354 9.924 -12.372 1.00 0.00 N ATOM 320 CA GLU A 28 -3.915 10.303 -12.267 1.00 0.00 C ATOM 321 C GLU A 28 -3.384 9.990 -10.865 1.00 0.00 C ATOM 322 O GLU A 28 -2.309 9.447 -10.705 1.00 0.00 O ATOM 323 CB GLU A 28 -3.882 11.810 -12.529 1.00 0.00 C ATOM 324 CG GLU A 28 -3.723 12.064 -14.028 1.00 0.00 C ATOM 325 CD GLU A 28 -2.292 11.733 -14.454 1.00 0.00 C ATOM 326 OE1 GLU A 28 -2.050 10.592 -14.812 1.00 0.00 O ATOM 327 OE2 GLU A 28 -1.462 12.627 -14.413 1.00 0.00 O ATOM 0 H GLU A 28 -6.013 10.700 -12.316 1.00 0.00 H new ATOM 0 HA GLU A 28 -3.292 9.752 -12.971 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -4.800 12.273 -12.166 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -3.057 12.267 -11.982 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -4.431 11.453 -14.588 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -3.950 13.105 -14.257 1.00 0.00 H new ATOM 334 N LEU A 29 -4.129 10.329 -9.848 1.00 0.00 N ATOM 335 CA LEU A 29 -3.665 10.051 -8.459 1.00 0.00 C ATOM 336 C LEU A 29 -3.811 8.561 -8.137 1.00 0.00 C ATOM 337 O LEU A 29 -2.955 7.963 -7.517 1.00 0.00 O ATOM 338 CB LEU A 29 -4.580 10.886 -7.562 1.00 0.00 C ATOM 339 CG LEU A 29 -4.360 12.371 -7.849 1.00 0.00 C ATOM 340 CD1 LEU A 29 -5.629 13.153 -7.503 1.00 0.00 C ATOM 341 CD2 LEU A 29 -3.198 12.887 -6.999 1.00 0.00 C ATOM 0 H LEU A 29 -5.038 10.786 -9.919 1.00 0.00 H new ATOM 0 HA LEU A 29 -2.614 10.303 -8.318 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -5.622 10.621 -7.740 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -4.372 10.673 -6.513 1.00 0.00 H new ATOM 0 HG LEU A 29 -4.127 12.505 -8.905 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -5.471 14.212 -7.708 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -6.459 12.786 -8.107 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -5.862 13.019 -6.447 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -3.040 13.946 -7.203 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -3.432 12.752 -5.943 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -2.293 12.331 -7.244 1.00 0.00 H new ATOM 353 N GLU A 30 -4.891 7.957 -8.554 1.00 0.00 N ATOM 354 CA GLU A 30 -5.091 6.507 -8.271 1.00 0.00 C ATOM 355 C GLU A 30 -3.925 5.692 -8.836 1.00 0.00 C ATOM 356 O GLU A 30 -3.440 4.769 -8.212 1.00 0.00 O ATOM 357 CB GLU A 30 -6.395 6.142 -8.980 1.00 0.00 C ATOM 358 CG GLU A 30 -6.954 4.847 -8.389 1.00 0.00 C ATOM 359 CD GLU A 30 -6.876 3.733 -9.434 1.00 0.00 C ATOM 360 OE1 GLU A 30 -5.784 3.464 -9.905 1.00 0.00 O ATOM 361 OE2 GLU A 30 -7.912 3.167 -9.746 1.00 0.00 O ATOM 0 H GLU A 30 -5.643 8.405 -9.078 1.00 0.00 H new ATOM 0 HA GLU A 30 -5.136 6.297 -7.202 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -7.120 6.948 -8.867 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -6.218 6.020 -10.049 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -6.388 4.567 -7.500 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -7.988 4.994 -8.076 1.00 0.00 H new ATOM 368 N GLY A 31 -3.472 6.026 -10.013 1.00 0.00 N ATOM 369 CA GLY A 31 -2.338 5.269 -10.616 1.00 0.00 C ATOM 370 C GLY A 31 -1.059 5.549 -9.828 1.00 0.00 C ATOM 371 O GLY A 31 -0.155 4.739 -9.784 1.00 0.00 O ATOM 0 H GLY A 31 -3.837 6.789 -10.583 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -2.555 4.201 -10.608 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -2.206 5.560 -11.658 1.00 0.00 H new ATOM 375 N LEU A 32 -0.973 6.693 -9.205 1.00 0.00 N ATOM 376 CA LEU A 32 0.251 7.025 -8.419 1.00 0.00 C ATOM 377 C LEU A 32 0.204 6.340 -7.052 1.00 0.00 C ATOM 378 O LEU A 32 1.222 6.044 -6.458 1.00 0.00 O ATOM 379 CB LEU A 32 0.219 8.545 -8.260 1.00 0.00 C ATOM 380 CG LEU A 32 1.624 9.054 -7.938 1.00 0.00 C ATOM 381 CD1 LEU A 32 2.451 9.120 -9.223 1.00 0.00 C ATOM 382 CD2 LEU A 32 1.530 10.452 -7.322 1.00 0.00 C ATOM 0 H LEU A 32 -1.697 7.412 -9.206 1.00 0.00 H new ATOM 0 HA LEU A 32 1.163 6.686 -8.911 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -0.146 9.009 -9.176 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -0.471 8.824 -7.464 1.00 0.00 H new ATOM 0 HG LEU A 32 2.103 8.375 -7.232 1.00 0.00 H new ATOM 0 HD11 LEU A 32 3.453 9.483 -8.993 1.00 0.00 H new ATOM 0 HD12 LEU A 32 2.518 8.125 -9.664 1.00 0.00 H new ATOM 0 HD13 LEU A 32 1.973 9.799 -9.929 1.00 0.00 H new ATOM 0 HD21 LEU A 32 2.531 10.816 -7.092 1.00 0.00 H new ATOM 0 HD22 LEU A 32 1.051 11.130 -8.029 1.00 0.00 H new ATOM 0 HD23 LEU A 32 0.941 10.407 -6.406 1.00 0.00 H new ATOM 394 N MET A 33 -0.972 6.087 -6.545 1.00 0.00 N ATOM 395 CA MET A 33 -1.087 5.424 -5.216 1.00 0.00 C ATOM 396 C MET A 33 -0.721 3.939 -5.329 1.00 0.00 C ATOM 397 O MET A 33 0.164 3.456 -4.653 1.00 0.00 O ATOM 398 CB MET A 33 -2.555 5.590 -4.820 1.00 0.00 C ATOM 399 CG MET A 33 -2.827 4.832 -3.518 1.00 0.00 C ATOM 400 SD MET A 33 -3.813 3.356 -3.873 1.00 0.00 S ATOM 401 CE MET A 33 -5.440 4.111 -3.635 1.00 0.00 C ATOM 0 H MET A 33 -1.859 6.312 -6.995 1.00 0.00 H new ATOM 0 HA MET A 33 -0.414 5.858 -4.477 1.00 0.00 H new ATOM 0 HB2 MET A 33 -2.790 6.647 -4.693 1.00 0.00 H new ATOM 0 HB3 MET A 33 -3.201 5.213 -5.613 1.00 0.00 H new ATOM 0 HG2 MET A 33 -1.886 4.549 -3.046 1.00 0.00 H new ATOM 0 HG3 MET A 33 -3.356 5.475 -2.814 1.00 0.00 H new ATOM 0 HE1 MET A 33 -6.154 3.662 -4.326 1.00 0.00 H new ATOM 0 HE2 MET A 33 -5.772 3.944 -2.610 1.00 0.00 H new ATOM 0 HE3 MET A 33 -5.375 5.182 -3.825 1.00 0.00 H new ATOM 411 N MET A 34 -1.397 3.215 -6.178 1.00 0.00 N ATOM 412 CA MET A 34 -1.087 1.764 -6.333 1.00 0.00 C ATOM 413 C MET A 34 0.398 1.568 -6.647 1.00 0.00 C ATOM 414 O MET A 34 1.021 0.629 -6.194 1.00 0.00 O ATOM 415 CB MET A 34 -1.948 1.300 -7.508 1.00 0.00 C ATOM 416 CG MET A 34 -2.447 -0.123 -7.247 1.00 0.00 C ATOM 417 SD MET A 34 -4.036 -0.057 -6.384 1.00 0.00 S ATOM 418 CE MET A 34 -3.677 -1.329 -5.148 1.00 0.00 C ATOM 0 H MET A 34 -2.150 3.564 -6.771 1.00 0.00 H new ATOM 0 HA MET A 34 -1.295 1.199 -5.424 1.00 0.00 H new ATOM 0 HB2 MET A 34 -2.794 1.974 -7.641 1.00 0.00 H new ATOM 0 HB3 MET A 34 -1.369 1.330 -8.431 1.00 0.00 H new ATOM 0 HG2 MET A 34 -2.555 -0.660 -8.189 1.00 0.00 H new ATOM 0 HG3 MET A 34 -1.719 -0.671 -6.649 1.00 0.00 H new ATOM 0 HE1 MET A 34 -4.461 -1.332 -4.391 1.00 0.00 H new ATOM 0 HE2 MET A 34 -3.635 -2.305 -5.632 1.00 0.00 H new ATOM 0 HE3 MET A 34 -2.718 -1.117 -4.676 1.00 0.00 H new ATOM 428 N GLN A 35 0.970 2.449 -7.422 1.00 0.00 N ATOM 429 CA GLN A 35 2.415 2.316 -7.769 1.00 0.00 C ATOM 430 C GLN A 35 3.256 2.166 -6.497 1.00 0.00 C ATOM 431 O GLN A 35 3.744 1.097 -6.185 1.00 0.00 O ATOM 432 CB GLN A 35 2.762 3.617 -8.496 1.00 0.00 C ATOM 433 CG GLN A 35 4.263 3.660 -8.798 1.00 0.00 C ATOM 434 CD GLN A 35 4.491 3.432 -10.293 1.00 0.00 C ATOM 435 OE1 GLN A 35 4.614 2.307 -10.737 1.00 0.00 O ATOM 436 NE2 GLN A 35 4.551 4.460 -11.095 1.00 0.00 N ATOM 0 H GLN A 35 0.499 3.256 -7.831 1.00 0.00 H new ATOM 0 HA GLN A 35 2.616 1.438 -8.382 1.00 0.00 H new ATOM 0 HB2 GLN A 35 2.193 3.689 -9.423 1.00 0.00 H new ATOM 0 HB3 GLN A 35 2.481 4.473 -7.883 1.00 0.00 H new ATOM 0 HG2 GLN A 35 4.677 4.623 -8.499 1.00 0.00 H new ATOM 0 HG3 GLN A 35 4.783 2.896 -8.220 1.00 0.00 H new ATOM 0 HE21 GLN A 35 4.448 5.404 -10.723 1.00 0.00 H new ATOM 0 HE22 GLN A 35 4.701 4.319 -12.094 1.00 0.00 H new ATOM 445 N HIS A 36 3.434 3.233 -5.765 1.00 0.00 N ATOM 446 CA HIS A 36 4.250 3.167 -4.514 1.00 0.00 C ATOM 447 C HIS A 36 3.844 1.958 -3.659 1.00 0.00 C ATOM 448 O HIS A 36 4.667 1.140 -3.300 1.00 0.00 O ATOM 449 CB HIS A 36 3.943 4.475 -3.784 1.00 0.00 C ATOM 450 CG HIS A 36 4.656 5.608 -4.470 1.00 0.00 C ATOM 451 ND1 HIS A 36 5.872 5.678 -5.105 1.00 0.00 N flip ATOM 452 CD2 HIS A 36 4.106 6.877 -4.567 1.00 0.00 C flip ATOM 453 CE1 HIS A 36 6.076 6.967 -5.586 1.00 0.00 C flip ATOM 454 NE2 HIS A 36 4.982 7.648 -5.235 1.00 0.00 N flip ATOM 0 H HIS A 36 3.048 4.153 -5.979 1.00 0.00 H new ATOM 0 HA HIS A 36 5.313 3.049 -4.722 1.00 0.00 H new ATOM 0 HB2 HIS A 36 2.868 4.657 -3.778 1.00 0.00 H new ATOM 0 HB3 HIS A 36 4.261 4.407 -2.744 1.00 0.00 H new ATOM 0 HD2 HIS A 36 3.148 7.189 -4.177 1.00 0.00 H new ATOM 0 HE1 HIS A 36 6.934 7.337 -6.127 1.00 0.00 H new ATOM 0 HE2 HIS A 36 4.829 8.634 -5.448 1.00 0.00 H new ATOM 462 N ALA A 37 2.582 1.832 -3.338 1.00 0.00 N ATOM 463 CA ALA A 37 2.128 0.669 -2.517 1.00 0.00 C ATOM 464 C ALA A 37 2.669 -0.631 -3.119 1.00 0.00 C ATOM 465 O ALA A 37 3.160 -1.496 -2.421 1.00 0.00 O ATOM 466 CB ALA A 37 0.601 0.702 -2.594 1.00 0.00 C ATOM 0 H ALA A 37 1.846 2.484 -3.609 1.00 0.00 H new ATOM 0 HA ALA A 37 2.482 0.720 -1.487 1.00 0.00 H new ATOM 0 HB1 ALA A 37 0.190 -0.124 -2.014 1.00 0.00 H new ATOM 0 HB2 ALA A 37 0.237 1.646 -2.190 1.00 0.00 H new ATOM 0 HB3 ALA A 37 0.287 0.607 -3.633 1.00 0.00 H new ATOM 472 N GLN A 38 2.597 -0.763 -4.417 1.00 0.00 N ATOM 473 CA GLN A 38 3.121 -1.995 -5.071 1.00 0.00 C ATOM 474 C GLN A 38 4.645 -2.026 -4.940 1.00 0.00 C ATOM 475 O GLN A 38 5.250 -3.074 -4.832 1.00 0.00 O ATOM 476 CB GLN A 38 2.707 -1.876 -6.539 1.00 0.00 C ATOM 477 CG GLN A 38 1.269 -2.372 -6.705 1.00 0.00 C ATOM 478 CD GLN A 38 0.856 -2.259 -8.174 1.00 0.00 C ATOM 479 OE1 GLN A 38 1.695 -2.161 -9.047 1.00 0.00 O ATOM 480 NE2 GLN A 38 -0.411 -2.269 -8.485 1.00 0.00 N ATOM 0 H GLN A 38 2.198 -0.071 -5.051 1.00 0.00 H new ATOM 0 HA GLN A 38 2.734 -2.910 -4.621 1.00 0.00 H new ATOM 0 HB2 GLN A 38 2.786 -0.840 -6.867 1.00 0.00 H new ATOM 0 HB3 GLN A 38 3.380 -2.461 -7.166 1.00 0.00 H new ATOM 0 HG2 GLN A 38 1.189 -3.407 -6.373 1.00 0.00 H new ATOM 0 HG3 GLN A 38 0.596 -1.784 -6.081 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -1.115 -2.351 -7.752 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -0.697 -2.195 -9.461 1.00 0.00 H new ATOM 489 N ASN A 39 5.264 -0.876 -4.930 1.00 0.00 N ATOM 490 CA ASN A 39 6.747 -0.825 -4.784 1.00 0.00 C ATOM 491 C ASN A 39 7.121 -0.731 -3.299 1.00 0.00 C ATOM 492 O ASN A 39 8.239 -0.411 -2.948 1.00 0.00 O ATOM 493 CB ASN A 39 7.177 0.439 -5.529 1.00 0.00 C ATOM 494 CG ASN A 39 6.668 0.381 -6.970 1.00 0.00 C ATOM 495 OD1 ASN A 39 6.142 -0.626 -7.401 1.00 0.00 O ATOM 496 ND2 ASN A 39 6.803 1.427 -7.740 1.00 0.00 N ATOM 0 H ASN A 39 4.806 0.031 -5.017 1.00 0.00 H new ATOM 0 HA ASN A 39 7.236 -1.714 -5.182 1.00 0.00 H new ATOM 0 HB2 ASN A 39 6.781 1.322 -5.028 1.00 0.00 H new ATOM 0 HB3 ASN A 39 8.263 0.528 -5.519 1.00 0.00 H new ATOM 0 HD21 ASN A 39 6.467 1.398 -8.703 1.00 0.00 H new ATOM 0 HD22 ASN A 39 7.244 2.273 -7.379 1.00 0.00 H new ATOM 503 N LEU A 40 6.188 -1.014 -2.425 1.00 0.00 N ATOM 504 CA LEU A 40 6.469 -0.952 -0.961 1.00 0.00 C ATOM 505 C LEU A 40 6.905 0.454 -0.543 1.00 0.00 C ATOM 506 O LEU A 40 7.617 0.628 0.426 1.00 0.00 O ATOM 507 CB LEU A 40 7.591 -1.963 -0.716 1.00 0.00 C ATOM 508 CG LEU A 40 7.057 -3.124 0.121 1.00 0.00 C ATOM 509 CD1 LEU A 40 7.773 -4.415 -0.278 1.00 0.00 C ATOM 510 CD2 LEU A 40 7.308 -2.840 1.604 1.00 0.00 C ATOM 0 H LEU A 40 5.236 -1.288 -2.667 1.00 0.00 H new ATOM 0 HA LEU A 40 5.580 -1.184 -0.374 1.00 0.00 H new ATOM 0 HB2 LEU A 40 7.976 -2.333 -1.666 1.00 0.00 H new ATOM 0 HB3 LEU A 40 8.423 -1.482 -0.201 1.00 0.00 H new ATOM 0 HG LEU A 40 5.987 -3.234 -0.053 1.00 0.00 H new ATOM 0 HD11 LEU A 40 7.391 -5.243 0.320 1.00 0.00 H new ATOM 0 HD12 LEU A 40 7.595 -4.618 -1.334 1.00 0.00 H new ATOM 0 HD13 LEU A 40 8.844 -4.306 -0.105 1.00 0.00 H new ATOM 0 HD21 LEU A 40 6.927 -3.668 2.202 1.00 0.00 H new ATOM 0 HD22 LEU A 40 8.378 -2.729 1.777 1.00 0.00 H new ATOM 0 HD23 LEU A 40 6.797 -1.921 1.890 1.00 0.00 H new ATOM 522 N GLU A 41 6.469 1.461 -1.247 1.00 0.00 N ATOM 523 CA GLU A 41 6.848 2.849 -0.863 1.00 0.00 C ATOM 524 C GLU A 41 5.998 3.288 0.330 1.00 0.00 C ATOM 525 O GLU A 41 6.492 3.826 1.299 1.00 0.00 O ATOM 526 CB GLU A 41 6.541 3.706 -2.091 1.00 0.00 C ATOM 527 CG GLU A 41 7.851 4.172 -2.731 1.00 0.00 C ATOM 528 CD GLU A 41 8.658 4.981 -1.712 1.00 0.00 C ATOM 529 OE1 GLU A 41 8.059 5.783 -1.015 1.00 0.00 O ATOM 530 OE2 GLU A 41 9.860 4.785 -1.648 1.00 0.00 O ATOM 0 H GLU A 41 5.869 1.384 -2.068 1.00 0.00 H new ATOM 0 HA GLU A 41 7.895 2.936 -0.572 1.00 0.00 H new ATOM 0 HB2 GLU A 41 5.957 3.133 -2.811 1.00 0.00 H new ATOM 0 HB3 GLU A 41 5.938 4.567 -1.805 1.00 0.00 H new ATOM 0 HG2 GLU A 41 8.429 3.312 -3.068 1.00 0.00 H new ATOM 0 HG3 GLU A 41 7.642 4.781 -3.611 1.00 0.00 H new ATOM 537 N PHE A 42 4.718 3.040 0.264 1.00 0.00 N ATOM 538 CA PHE A 42 3.812 3.417 1.386 1.00 0.00 C ATOM 539 C PHE A 42 4.036 4.868 1.810 1.00 0.00 C ATOM 540 O PHE A 42 4.824 5.576 1.221 1.00 0.00 O ATOM 541 CB PHE A 42 4.172 2.461 2.524 1.00 0.00 C ATOM 542 CG PHE A 42 3.321 1.218 2.427 1.00 0.00 C ATOM 543 CD1 PHE A 42 1.924 1.328 2.252 1.00 0.00 C ATOM 544 CD2 PHE A 42 3.923 -0.059 2.514 1.00 0.00 C ATOM 545 CE1 PHE A 42 1.128 0.166 2.164 1.00 0.00 C ATOM 546 CE2 PHE A 42 3.126 -1.222 2.426 1.00 0.00 C ATOM 547 CZ PHE A 42 1.728 -1.109 2.252 1.00 0.00 C ATOM 0 H PHE A 42 4.258 2.588 -0.526 1.00 0.00 H new ATOM 0 HA PHE A 42 2.763 3.341 1.101 1.00 0.00 H new ATOM 0 HB2 PHE A 42 5.228 2.196 2.470 1.00 0.00 H new ATOM 0 HB3 PHE A 42 4.014 2.948 3.486 1.00 0.00 H new ATOM 0 HD1 PHE A 42 1.464 2.303 2.185 1.00 0.00 H new ATOM 0 HD2 PHE A 42 4.991 -0.145 2.648 1.00 0.00 H new ATOM 0 HE1 PHE A 42 0.060 0.252 2.029 1.00 0.00 H new ATOM 0 HE2 PHE A 42 3.585 -2.197 2.492 1.00 0.00 H new ATOM 0 HZ PHE A 42 1.119 -1.998 2.186 1.00 0.00 H new ATOM 557 N GLU A 43 3.312 5.301 2.816 1.00 0.00 N ATOM 558 CA GLU A 43 3.401 6.707 3.324 1.00 0.00 C ATOM 559 C GLU A 43 2.886 7.658 2.252 1.00 0.00 C ATOM 560 O GLU A 43 1.895 8.337 2.423 1.00 0.00 O ATOM 561 CB GLU A 43 4.879 6.971 3.640 1.00 0.00 C ATOM 562 CG GLU A 43 5.044 8.430 4.065 1.00 0.00 C ATOM 563 CD GLU A 43 6.530 8.795 4.072 1.00 0.00 C ATOM 564 OE1 GLU A 43 7.271 8.195 3.310 1.00 0.00 O ATOM 565 OE2 GLU A 43 6.901 9.668 4.839 1.00 0.00 O ATOM 0 H GLU A 43 2.643 4.719 3.320 1.00 0.00 H new ATOM 0 HA GLU A 43 2.797 6.859 4.218 1.00 0.00 H new ATOM 0 HB2 GLU A 43 5.219 6.307 4.435 1.00 0.00 H new ATOM 0 HB3 GLU A 43 5.494 6.762 2.765 1.00 0.00 H new ATOM 0 HG2 GLU A 43 4.502 9.083 3.381 1.00 0.00 H new ATOM 0 HG3 GLU A 43 4.617 8.582 5.056 1.00 0.00 H new ATOM 572 N GLU A 44 3.545 7.683 1.143 1.00 0.00 N ATOM 573 CA GLU A 44 3.107 8.558 0.023 1.00 0.00 C ATOM 574 C GLU A 44 1.990 7.865 -0.762 1.00 0.00 C ATOM 575 O GLU A 44 1.126 8.504 -1.332 1.00 0.00 O ATOM 576 CB GLU A 44 4.352 8.751 -0.850 1.00 0.00 C ATOM 577 CG GLU A 44 4.778 7.412 -1.458 1.00 0.00 C ATOM 578 CD GLU A 44 5.907 7.645 -2.464 1.00 0.00 C ATOM 579 OE1 GLU A 44 6.034 8.764 -2.933 1.00 0.00 O ATOM 580 OE2 GLU A 44 6.626 6.701 -2.747 1.00 0.00 O ATOM 0 H GLU A 44 4.381 7.130 0.955 1.00 0.00 H new ATOM 0 HA GLU A 44 2.713 9.514 0.367 1.00 0.00 H new ATOM 0 HB2 GLU A 44 4.143 9.469 -1.643 1.00 0.00 H new ATOM 0 HB3 GLU A 44 5.165 9.163 -0.252 1.00 0.00 H new ATOM 0 HG2 GLU A 44 5.111 6.733 -0.673 1.00 0.00 H new ATOM 0 HG3 GLU A 44 3.929 6.938 -1.951 1.00 0.00 H new ATOM 587 N ALA A 45 2.007 6.557 -0.802 1.00 0.00 N ATOM 588 CA ALA A 45 0.953 5.818 -1.556 1.00 0.00 C ATOM 589 C ALA A 45 -0.330 5.705 -0.731 1.00 0.00 C ATOM 590 O ALA A 45 -1.414 5.970 -1.212 1.00 0.00 O ATOM 591 CB ALA A 45 1.545 4.432 -1.800 1.00 0.00 C ATOM 0 H ALA A 45 2.705 5.970 -0.345 1.00 0.00 H new ATOM 0 HA ALA A 45 0.686 6.327 -2.482 1.00 0.00 H new ATOM 0 HB1 ALA A 45 0.829 3.823 -2.352 1.00 0.00 H new ATOM 0 HB2 ALA A 45 2.464 4.526 -2.379 1.00 0.00 H new ATOM 0 HB3 ALA A 45 1.765 3.957 -0.844 1.00 0.00 H new ATOM 597 N ALA A 46 -0.220 5.301 0.504 1.00 0.00 N ATOM 598 CA ALA A 46 -1.439 5.159 1.348 1.00 0.00 C ATOM 599 C ALA A 46 -2.034 6.534 1.663 1.00 0.00 C ATOM 600 O ALA A 46 -3.193 6.654 2.007 1.00 0.00 O ATOM 601 CB ALA A 46 -0.963 4.461 2.620 1.00 0.00 C ATOM 0 H ALA A 46 0.659 5.064 0.964 1.00 0.00 H new ATOM 0 HA ALA A 46 -2.224 4.591 0.848 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -1.807 4.320 3.295 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -0.536 3.491 2.365 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -0.205 5.073 3.109 1.00 0.00 H new ATOM 607 N GLN A 47 -1.257 7.575 1.537 1.00 0.00 N ATOM 608 CA GLN A 47 -1.793 8.937 1.820 1.00 0.00 C ATOM 609 C GLN A 47 -2.640 9.413 0.638 1.00 0.00 C ATOM 610 O GLN A 47 -3.764 9.846 0.801 1.00 0.00 O ATOM 611 CB GLN A 47 -0.566 9.827 1.988 1.00 0.00 C ATOM 612 CG GLN A 47 -0.212 9.935 3.473 1.00 0.00 C ATOM 613 CD GLN A 47 0.648 11.179 3.703 1.00 0.00 C ATOM 614 OE1 GLN A 47 0.282 12.052 4.464 1.00 0.00 O ATOM 615 NE2 GLN A 47 1.785 11.297 3.073 1.00 0.00 N ATOM 0 H GLN A 47 -0.278 7.542 1.252 1.00 0.00 H new ATOM 0 HA GLN A 47 -2.428 8.957 2.706 1.00 0.00 H new ATOM 0 HB2 GLN A 47 0.275 9.413 1.432 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -0.763 10.817 1.577 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -1.121 9.993 4.071 1.00 0.00 H new ATOM 0 HG3 GLN A 47 0.326 9.043 3.795 1.00 0.00 H new ATOM 0 HE21 GLN A 47 2.092 10.564 2.434 1.00 0.00 H new ATOM 0 HE22 GLN A 47 2.366 12.122 3.220 1.00 0.00 H new ATOM 624 N ILE A 48 -2.114 9.325 -0.557 1.00 0.00 N ATOM 625 CA ILE A 48 -2.897 9.762 -1.750 1.00 0.00 C ATOM 626 C ILE A 48 -4.270 9.089 -1.736 1.00 0.00 C ATOM 627 O ILE A 48 -5.258 9.649 -2.167 1.00 0.00 O ATOM 628 CB ILE A 48 -2.079 9.297 -2.956 1.00 0.00 C ATOM 629 CG1 ILE A 48 -0.745 10.046 -2.987 1.00 0.00 C ATOM 630 CG2 ILE A 48 -2.854 9.587 -4.243 1.00 0.00 C ATOM 631 CD1 ILE A 48 0.244 9.292 -3.878 1.00 0.00 C ATOM 0 H ILE A 48 -1.179 8.970 -0.757 1.00 0.00 H new ATOM 0 HA ILE A 48 -3.065 10.839 -1.771 1.00 0.00 H new ATOM 0 HB ILE A 48 -1.894 8.226 -2.876 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -0.893 11.058 -3.365 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -0.344 10.138 -1.978 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -2.270 9.255 -5.102 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -3.805 9.054 -4.223 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -3.040 10.658 -4.322 1.00 0.00 H new ATOM 0 HD11 ILE A 48 1.194 9.826 -3.900 1.00 0.00 H new ATOM 0 HD12 ILE A 48 0.400 8.289 -3.481 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -0.157 9.223 -4.889 1.00 0.00 H new ATOM 643 N ARG A 49 -4.335 7.891 -1.220 1.00 0.00 N ATOM 644 CA ARG A 49 -5.638 7.176 -1.147 1.00 0.00 C ATOM 645 C ARG A 49 -6.661 8.063 -0.425 1.00 0.00 C ATOM 646 O ARG A 49 -7.853 7.940 -0.620 1.00 0.00 O ATOM 647 CB ARG A 49 -5.320 5.895 -0.356 1.00 0.00 C ATOM 648 CG ARG A 49 -6.598 5.272 0.222 1.00 0.00 C ATOM 649 CD ARG A 49 -6.541 5.323 1.752 1.00 0.00 C ATOM 650 NE ARG A 49 -6.323 6.760 2.089 1.00 0.00 N ATOM 651 CZ ARG A 49 -7.191 7.393 2.830 1.00 0.00 C ATOM 652 NH1 ARG A 49 -8.461 7.337 2.537 1.00 0.00 N ATOM 653 NH2 ARG A 49 -6.789 8.079 3.864 1.00 0.00 N ATOM 0 H ARG A 49 -3.538 7.377 -0.845 1.00 0.00 H new ATOM 0 HA ARG A 49 -6.070 6.941 -2.120 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -4.823 5.176 -1.007 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -4.626 6.126 0.452 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -7.474 5.811 -0.139 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -6.698 4.240 -0.115 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -7.466 4.951 2.193 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -5.732 4.702 2.137 1.00 0.00 H new ATOM 0 HE ARG A 49 -5.497 7.247 1.741 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -8.775 6.799 1.729 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -9.140 7.831 3.116 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -5.796 8.121 4.094 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -7.468 8.574 4.443 1.00 0.00 H new ATOM 667 N ASP A 50 -6.197 8.962 0.401 1.00 0.00 N ATOM 668 CA ASP A 50 -7.135 9.864 1.126 1.00 0.00 C ATOM 669 C ASP A 50 -7.576 11.004 0.205 1.00 0.00 C ATOM 670 O ASP A 50 -8.666 11.528 0.325 1.00 0.00 O ATOM 671 CB ASP A 50 -6.330 10.407 2.307 1.00 0.00 C ATOM 672 CG ASP A 50 -7.282 10.783 3.445 1.00 0.00 C ATOM 673 OD1 ASP A 50 -8.330 10.166 3.543 1.00 0.00 O ATOM 674 OD2 ASP A 50 -6.948 11.684 4.196 1.00 0.00 O ATOM 0 H ASP A 50 -5.209 9.110 0.604 1.00 0.00 H new ATOM 0 HA ASP A 50 -8.038 9.350 1.455 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -5.616 9.658 2.649 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -5.754 11.279 1.998 1.00 0.00 H new ATOM 679 N GLN A 51 -6.735 11.390 -0.716 1.00 0.00 N ATOM 680 CA GLN A 51 -7.103 12.495 -1.648 1.00 0.00 C ATOM 681 C GLN A 51 -8.159 12.011 -2.646 1.00 0.00 C ATOM 682 O GLN A 51 -9.090 12.718 -2.973 1.00 0.00 O ATOM 683 CB GLN A 51 -5.805 12.852 -2.372 1.00 0.00 C ATOM 684 CG GLN A 51 -4.745 13.261 -1.347 1.00 0.00 C ATOM 685 CD GLN A 51 -3.393 13.418 -2.046 1.00 0.00 C ATOM 686 OE1 GLN A 51 -2.360 13.160 -1.460 1.00 0.00 O ATOM 687 NE2 GLN A 51 -3.355 13.831 -3.284 1.00 0.00 N ATOM 0 H GLN A 51 -5.809 10.988 -0.864 1.00 0.00 H new ATOM 0 HA GLN A 51 -7.527 13.353 -1.126 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -5.454 11.999 -2.953 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -5.980 13.667 -3.075 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -5.030 14.198 -0.868 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -4.675 12.509 -0.561 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -4.222 14.048 -3.776 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -2.459 13.937 -3.759 1.00 0.00 H new ATOM 696 N LEU A 52 -8.020 10.807 -3.133 1.00 0.00 N ATOM 697 CA LEU A 52 -9.017 10.277 -4.109 1.00 0.00 C ATOM 698 C LEU A 52 -10.431 10.407 -3.539 1.00 0.00 C ATOM 699 O LEU A 52 -11.390 10.579 -4.264 1.00 0.00 O ATOM 700 CB LEU A 52 -8.645 8.806 -4.295 1.00 0.00 C ATOM 701 CG LEU A 52 -8.011 8.608 -5.672 1.00 0.00 C ATOM 702 CD1 LEU A 52 -9.010 9.010 -6.758 1.00 0.00 C ATOM 703 CD2 LEU A 52 -6.759 9.481 -5.785 1.00 0.00 C ATOM 0 H LEU A 52 -7.260 10.168 -2.898 1.00 0.00 H new ATOM 0 HA LEU A 52 -9.004 10.822 -5.053 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -7.950 8.495 -3.515 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -9.533 8.181 -4.199 1.00 0.00 H new ATOM 0 HG LEU A 52 -7.739 7.560 -5.799 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -8.557 8.869 -7.739 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -9.903 8.391 -6.678 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -9.283 10.058 -6.632 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -6.305 9.341 -6.766 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -7.033 10.528 -5.658 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -6.046 9.196 -5.012 1.00 0.00 H new ATOM 715 N HIS A 53 -10.567 10.330 -2.243 1.00 0.00 N ATOM 716 CA HIS A 53 -11.919 10.453 -1.625 1.00 0.00 C ATOM 717 C HIS A 53 -12.321 11.928 -1.534 1.00 0.00 C ATOM 718 O HIS A 53 -13.467 12.282 -1.730 1.00 0.00 O ATOM 719 CB HIS A 53 -11.772 9.849 -0.228 1.00 0.00 C ATOM 720 CG HIS A 53 -12.430 8.497 -0.196 1.00 0.00 C ATOM 721 ND1 HIS A 53 -11.952 7.425 -0.932 1.00 0.00 N ATOM 722 CD2 HIS A 53 -13.528 8.027 0.481 1.00 0.00 C ATOM 723 CE1 HIS A 53 -12.753 6.372 -0.684 1.00 0.00 C ATOM 724 NE2 HIS A 53 -13.731 6.686 0.171 1.00 0.00 N ATOM 0 H HIS A 53 -9.801 10.187 -1.585 1.00 0.00 H new ATOM 0 HA HIS A 53 -12.690 9.947 -2.207 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -10.717 9.758 0.032 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -12.228 10.505 0.514 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -14.141 8.610 1.152 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -12.622 5.394 -1.122 1.00 0.00 H new ATOM 0 HE2 HIS A 53 -14.468 6.074 0.521 1.00 0.00 H new ATOM 732 N GLN A 54 -11.387 12.789 -1.239 1.00 0.00 N ATOM 733 CA GLN A 54 -11.715 14.240 -1.137 1.00 0.00 C ATOM 734 C GLN A 54 -12.082 14.795 -2.516 1.00 0.00 C ATOM 735 O GLN A 54 -12.982 15.600 -2.652 1.00 0.00 O ATOM 736 CB GLN A 54 -10.438 14.899 -0.615 1.00 0.00 C ATOM 737 CG GLN A 54 -10.781 16.245 0.025 1.00 0.00 C ATOM 738 CD GLN A 54 -9.511 16.877 0.598 1.00 0.00 C ATOM 739 OE1 GLN A 54 -9.020 16.456 1.626 1.00 0.00 O ATOM 740 NE2 GLN A 54 -8.956 17.879 -0.028 1.00 0.00 N ATOM 0 H GLN A 54 -10.411 12.551 -1.064 1.00 0.00 H new ATOM 0 HA GLN A 54 -12.566 14.427 -0.482 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -9.954 14.250 0.115 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -9.731 15.043 -1.432 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -11.228 16.908 -0.716 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -11.519 16.106 0.815 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -9.368 18.232 -0.891 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -8.110 18.308 0.346 1.00 0.00 H new ATOM 749 N LEU A 55 -11.391 14.371 -3.538 1.00 0.00 N ATOM 750 CA LEU A 55 -11.700 14.874 -4.907 1.00 0.00 C ATOM 751 C LEU A 55 -13.150 14.548 -5.276 1.00 0.00 C ATOM 752 O LEU A 55 -13.734 15.164 -6.144 1.00 0.00 O ATOM 753 CB LEU A 55 -10.731 14.132 -5.830 1.00 0.00 C ATOM 754 CG LEU A 55 -9.560 15.048 -6.185 1.00 0.00 C ATOM 755 CD1 LEU A 55 -8.244 14.295 -5.991 1.00 0.00 C ATOM 756 CD2 LEU A 55 -9.684 15.489 -7.646 1.00 0.00 C ATOM 0 H LEU A 55 -10.626 13.698 -3.485 1.00 0.00 H new ATOM 0 HA LEU A 55 -11.589 15.956 -4.984 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -10.365 13.230 -5.340 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -11.246 13.816 -6.737 1.00 0.00 H new ATOM 0 HG LEU A 55 -9.575 15.924 -5.537 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -7.410 14.949 -6.244 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -8.155 13.980 -4.951 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -8.227 13.418 -6.639 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -8.850 16.142 -7.901 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -9.669 14.612 -8.293 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -10.622 16.027 -7.785 1.00 0.00 H new ATOM 768 N ARG A 56 -13.735 13.581 -4.622 1.00 0.00 N ATOM 769 CA ARG A 56 -15.148 13.216 -4.935 1.00 0.00 C ATOM 770 C ARG A 56 -16.042 14.458 -4.871 1.00 0.00 C ATOM 771 O ARG A 56 -16.778 14.752 -5.791 1.00 0.00 O ATOM 772 CB ARG A 56 -15.546 12.212 -3.852 1.00 0.00 C ATOM 773 CG ARG A 56 -16.994 11.771 -4.072 1.00 0.00 C ATOM 774 CD ARG A 56 -17.653 11.492 -2.719 1.00 0.00 C ATOM 775 NE ARG A 56 -19.105 11.352 -3.021 1.00 0.00 N ATOM 776 CZ ARG A 56 -19.617 10.170 -3.227 1.00 0.00 C ATOM 777 NH1 ARG A 56 -20.260 9.561 -2.268 1.00 0.00 N ATOM 778 NH2 ARG A 56 -19.486 9.596 -4.392 1.00 0.00 N ATOM 0 H ARG A 56 -13.297 13.028 -3.885 1.00 0.00 H new ATOM 0 HA ARG A 56 -15.255 12.800 -5.937 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -14.883 11.347 -3.881 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -15.438 12.663 -2.866 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -17.545 12.547 -4.604 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -17.023 10.876 -4.694 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -17.255 10.585 -2.265 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -17.472 12.305 -2.016 1.00 0.00 H new ATOM 0 HE ARG A 56 -19.699 12.180 -3.067 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -20.362 10.009 -1.358 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -20.660 8.637 -2.429 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -18.983 10.072 -5.141 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -19.886 8.672 -4.553 1.00 0.00 H new ATOM 792 N GLU A 57 -15.982 15.189 -3.792 1.00 0.00 N ATOM 793 CA GLU A 57 -16.828 16.411 -3.671 1.00 0.00 C ATOM 794 C GLU A 57 -16.555 17.356 -4.844 1.00 0.00 C ATOM 795 O GLU A 57 -17.463 17.903 -5.439 1.00 0.00 O ATOM 796 CB GLU A 57 -16.406 17.061 -2.352 1.00 0.00 C ATOM 797 CG GLU A 57 -16.528 16.043 -1.216 1.00 0.00 C ATOM 798 CD GLU A 57 -16.732 16.779 0.110 1.00 0.00 C ATOM 799 OE1 GLU A 57 -15.787 17.394 0.574 1.00 0.00 O ATOM 800 OE2 GLU A 57 -17.830 16.713 0.638 1.00 0.00 O ATOM 0 H GLU A 57 -15.384 14.994 -2.989 1.00 0.00 H new ATOM 0 HA GLU A 57 -17.893 16.179 -3.686 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -15.379 17.420 -2.424 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -17.033 17.928 -2.145 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -17.366 15.371 -1.404 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -15.630 15.427 -1.168 1.00 0.00 H new ATOM 807 N LEU A 58 -15.310 17.551 -5.180 1.00 0.00 N ATOM 808 CA LEU A 58 -14.976 18.461 -6.314 1.00 0.00 C ATOM 809 C LEU A 58 -15.750 18.046 -7.570 1.00 0.00 C ATOM 810 O LEU A 58 -15.965 18.836 -8.467 1.00 0.00 O ATOM 811 CB LEU A 58 -13.472 18.290 -6.531 1.00 0.00 C ATOM 812 CG LEU A 58 -12.790 19.657 -6.478 1.00 0.00 C ATOM 813 CD1 LEU A 58 -11.449 19.533 -5.753 1.00 0.00 C ATOM 814 CD2 LEU A 58 -12.551 20.162 -7.903 1.00 0.00 C ATOM 0 H LEU A 58 -14.509 17.120 -4.719 1.00 0.00 H new ATOM 0 HA LEU A 58 -15.242 19.497 -6.104 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -13.056 17.634 -5.766 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -13.285 17.815 -7.494 1.00 0.00 H new ATOM 0 HG LEU A 58 -13.429 20.360 -5.943 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -10.964 20.508 -5.716 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -11.616 19.172 -4.738 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -10.810 18.830 -6.288 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -12.065 21.137 -7.867 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -11.913 19.458 -8.436 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -13.505 20.252 -8.422 1.00 0.00 H new ATOM 826 N PHE A 59 -16.171 16.812 -7.639 1.00 0.00 N ATOM 827 CA PHE A 59 -16.930 16.348 -8.837 1.00 0.00 C ATOM 828 C PHE A 59 -18.110 17.284 -9.112 1.00 0.00 C ATOM 829 O PHE A 59 -18.423 17.587 -10.246 1.00 0.00 O ATOM 830 CB PHE A 59 -17.428 14.950 -8.473 1.00 0.00 C ATOM 831 CG PHE A 59 -18.224 14.383 -9.623 1.00 0.00 C ATOM 832 CD1 PHE A 59 -17.569 13.668 -10.652 1.00 0.00 C ATOM 833 CD2 PHE A 59 -19.624 14.566 -9.671 1.00 0.00 C ATOM 834 CE1 PHE A 59 -18.313 13.138 -11.729 1.00 0.00 C ATOM 835 CE2 PHE A 59 -20.369 14.035 -10.748 1.00 0.00 C ATOM 836 CZ PHE A 59 -19.714 13.321 -11.776 1.00 0.00 C ATOM 0 H PHE A 59 -16.023 16.105 -6.919 1.00 0.00 H new ATOM 0 HA PHE A 59 -16.316 16.340 -9.737 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -16.583 14.299 -8.246 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -18.046 14.995 -7.576 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -16.499 13.527 -10.614 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -20.125 15.112 -8.885 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -17.812 12.593 -12.516 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -21.439 14.175 -10.785 1.00 0.00 H new ATOM 0 HZ PHE A 59 -20.284 12.915 -12.598 1.00 0.00 H new ATOM 846 N ILE A 60 -18.767 17.745 -8.083 1.00 0.00 N ATOM 847 CA ILE A 60 -19.925 18.661 -8.287 1.00 0.00 C ATOM 848 C ILE A 60 -19.436 20.036 -8.747 1.00 0.00 C ATOM 849 O ILE A 60 -20.067 20.694 -9.550 1.00 0.00 O ATOM 850 CB ILE A 60 -20.598 18.761 -6.917 1.00 0.00 C ATOM 851 CG1 ILE A 60 -21.121 17.382 -6.505 1.00 0.00 C ATOM 852 CG2 ILE A 60 -21.765 19.747 -6.991 1.00 0.00 C ATOM 853 CD1 ILE A 60 -21.170 17.290 -4.980 1.00 0.00 C ATOM 0 H ILE A 60 -18.552 17.527 -7.110 1.00 0.00 H new ATOM 0 HA ILE A 60 -20.611 18.296 -9.052 1.00 0.00 H new ATOM 0 HB ILE A 60 -19.874 19.111 -6.181 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -22.115 17.219 -6.922 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -20.475 16.601 -6.906 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -22.244 19.818 -6.014 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -21.394 20.729 -7.285 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -22.490 19.398 -7.726 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -21.542 16.308 -4.686 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -20.169 17.434 -4.574 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -21.834 18.061 -4.590 1.00 0.00 H new ATOM 865 N ALA A 61 -18.315 20.476 -8.244 1.00 0.00 N ATOM 866 CA ALA A 61 -17.786 21.809 -8.652 1.00 0.00 C ATOM 867 C ALA A 61 -17.457 21.811 -10.148 1.00 0.00 C ATOM 868 O ALA A 61 -17.392 22.847 -10.778 1.00 0.00 O ATOM 869 CB ALA A 61 -16.516 22.002 -7.823 1.00 0.00 C ATOM 0 H ALA A 61 -17.742 19.970 -7.568 1.00 0.00 H new ATOM 0 HA ALA A 61 -18.507 22.609 -8.484 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -16.065 22.964 -8.066 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -16.766 21.976 -6.762 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -15.809 21.203 -8.048 1.00 0.00 H new ATOM 875 N ALA A 62 -17.247 20.656 -10.720 1.00 0.00 N ATOM 876 CA ALA A 62 -16.923 20.593 -12.174 1.00 0.00 C ATOM 877 C ALA A 62 -18.171 20.220 -12.979 1.00 0.00 C ATOM 878 O ALA A 62 -18.681 21.007 -13.751 1.00 0.00 O ATOM 879 CB ALA A 62 -15.860 19.500 -12.295 1.00 0.00 C ATOM 0 H ALA A 62 -17.286 19.755 -10.244 1.00 0.00 H new ATOM 0 HA ALA A 62 -16.571 21.549 -12.561 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -15.567 19.391 -13.339 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -14.988 19.773 -11.700 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -16.266 18.556 -11.932 1.00 0.00 H new ATOM 885 N SER A 63 -18.666 19.025 -12.804 1.00 0.00 N ATOM 886 CA SER A 63 -19.880 18.603 -13.560 1.00 0.00 C ATOM 887 C SER A 63 -21.140 19.154 -12.887 1.00 0.00 C ATOM 888 O SER A 63 -22.205 19.016 -13.465 1.00 0.00 O ATOM 889 CB SER A 63 -19.868 17.077 -13.508 1.00 0.00 C ATOM 890 OG SER A 63 -20.233 16.649 -12.202 1.00 0.00 O ATOM 891 OXT SER A 63 -21.017 19.706 -11.806 1.00 0.00 O ATOM 0 H SER A 63 -18.283 18.323 -12.171 1.00 0.00 H new ATOM 0 HA SER A 63 -19.879 18.975 -14.584 1.00 0.00 H new ATOM 0 HB2 SER A 63 -20.562 16.671 -14.244 1.00 0.00 H new ATOM 0 HB3 SER A 63 -18.877 16.701 -13.763 1.00 0.00 H new ATOM 0 HG SER A 63 -20.101 15.681 -12.126 1.00 0.00 H new TER 897 SER A 63 ATOM 898 N LEU B 8 10.503 -32.163 -2.972 1.00 0.00 N ATOM 899 CA LEU B 8 9.427 -32.336 -1.954 1.00 0.00 C ATOM 900 C LEU B 8 9.943 -31.943 -0.567 1.00 0.00 C ATOM 901 O LEU B 8 10.812 -32.584 -0.013 1.00 0.00 O ATOM 902 CB LEU B 8 9.080 -33.826 -1.995 1.00 0.00 C ATOM 903 CG LEU B 8 7.608 -33.997 -2.374 1.00 0.00 C ATOM 904 CD1 LEU B 8 6.729 -33.300 -1.335 1.00 0.00 C ATOM 905 CD2 LEU B 8 7.361 -33.372 -3.750 1.00 0.00 C ATOM 0 HA LEU B 8 8.559 -31.709 -2.159 1.00 0.00 H new ATOM 0 HB2 LEU B 8 9.715 -34.338 -2.718 1.00 0.00 H new ATOM 0 HB3 LEU B 8 9.272 -34.282 -1.024 1.00 0.00 H new ATOM 0 HG LEU B 8 7.362 -35.058 -2.405 1.00 0.00 H new ATOM 0 HD11 LEU B 8 5.680 -33.422 -1.605 1.00 0.00 H new ATOM 0 HD12 LEU B 8 6.905 -33.742 -0.354 1.00 0.00 H new ATOM 0 HD13 LEU B 8 6.975 -32.238 -1.304 1.00 0.00 H new ATOM 0 HD21 LEU B 8 6.312 -33.493 -4.022 1.00 0.00 H new ATOM 0 HD22 LEU B 8 7.607 -32.311 -3.717 1.00 0.00 H new ATOM 0 HD23 LEU B 8 7.987 -33.867 -4.492 1.00 0.00 H new ATOM 917 N GLU B 9 9.412 -30.892 -0.004 1.00 0.00 N ATOM 918 CA GLU B 9 9.871 -30.458 1.347 1.00 0.00 C ATOM 919 C GLU B 9 11.397 -30.295 1.360 1.00 0.00 C ATOM 920 O GLU B 9 12.111 -31.210 1.720 1.00 0.00 O ATOM 921 CB GLU B 9 9.444 -31.583 2.291 1.00 0.00 C ATOM 922 CG GLU B 9 9.126 -30.999 3.669 1.00 0.00 C ATOM 923 CD GLU B 9 7.622 -31.099 3.932 1.00 0.00 C ATOM 924 OE1 GLU B 9 6.861 -30.730 3.052 1.00 0.00 O ATOM 925 OE2 GLU B 9 7.257 -31.542 5.007 1.00 0.00 O ATOM 0 H GLU B 9 8.681 -30.315 -0.420 1.00 0.00 H new ATOM 0 HA GLU B 9 9.446 -29.498 1.639 1.00 0.00 H new ATOM 0 HB2 GLU B 9 8.569 -32.096 1.891 1.00 0.00 H new ATOM 0 HB3 GLU B 9 10.239 -32.325 2.373 1.00 0.00 H new ATOM 0 HG2 GLU B 9 9.677 -31.538 4.440 1.00 0.00 H new ATOM 0 HG3 GLU B 9 9.446 -29.958 3.717 1.00 0.00 H new ATOM 932 N PRO B 10 11.850 -29.129 0.969 1.00 0.00 N ATOM 933 CA PRO B 10 13.308 -28.854 0.941 1.00 0.00 C ATOM 934 C PRO B 10 13.848 -28.690 2.364 1.00 0.00 C ATOM 935 O PRO B 10 14.873 -29.240 2.715 1.00 0.00 O ATOM 936 CB PRO B 10 13.412 -27.542 0.166 1.00 0.00 C ATOM 937 CG PRO B 10 12.086 -26.878 0.348 1.00 0.00 C ATOM 938 CD PRO B 10 11.063 -27.971 0.521 1.00 0.00 C ATOM 0 HA PRO B 10 13.887 -29.658 0.487 1.00 0.00 H new ATOM 0 HB2 PRO B 10 14.221 -26.920 0.550 1.00 0.00 H new ATOM 0 HB3 PRO B 10 13.622 -27.722 -0.888 1.00 0.00 H new ATOM 0 HG2 PRO B 10 12.100 -26.222 1.219 1.00 0.00 H new ATOM 0 HG3 PRO B 10 11.844 -26.257 -0.515 1.00 0.00 H new ATOM 0 HD2 PRO B 10 10.305 -27.696 1.255 1.00 0.00 H new ATOM 0 HD3 PRO B 10 10.541 -28.180 -0.413 1.00 0.00 H new ATOM 946 N ASP B 11 13.161 -27.937 3.185 1.00 0.00 N ATOM 947 CA ASP B 11 13.621 -27.725 4.593 1.00 0.00 C ATOM 948 C ASP B 11 14.993 -27.041 4.611 1.00 0.00 C ATOM 949 O ASP B 11 15.098 -25.850 4.822 1.00 0.00 O ATOM 950 CB ASP B 11 13.706 -29.122 5.217 1.00 0.00 C ATOM 951 CG ASP B 11 12.673 -29.243 6.340 1.00 0.00 C ATOM 952 OD1 ASP B 11 11.559 -29.645 6.052 1.00 0.00 O ATOM 953 OD2 ASP B 11 13.016 -28.930 7.468 1.00 0.00 O ATOM 0 H ASP B 11 12.295 -27.456 2.940 1.00 0.00 H new ATOM 0 HA ASP B 11 12.939 -27.081 5.147 1.00 0.00 H new ATOM 0 HB2 ASP B 11 13.524 -29.883 4.458 1.00 0.00 H new ATOM 0 HB3 ASP B 11 14.708 -29.296 5.610 1.00 0.00 H new ATOM 958 N ASN B 12 16.043 -27.785 4.394 1.00 0.00 N ATOM 959 CA ASN B 12 17.402 -27.171 4.400 1.00 0.00 C ATOM 960 C ASN B 12 18.358 -27.986 3.525 1.00 0.00 C ATOM 961 O ASN B 12 19.561 -27.936 3.690 1.00 0.00 O ATOM 962 CB ASN B 12 17.847 -27.212 5.863 1.00 0.00 C ATOM 963 CG ASN B 12 17.891 -28.665 6.342 1.00 0.00 C ATOM 964 OD1 ASN B 12 16.936 -29.160 6.906 1.00 0.00 O ATOM 965 ND2 ASN B 12 18.969 -29.373 6.140 1.00 0.00 N ATOM 0 H ASN B 12 16.019 -28.789 4.213 1.00 0.00 H new ATOM 0 HA ASN B 12 17.398 -26.156 4.002 1.00 0.00 H new ATOM 0 HB2 ASN B 12 18.830 -26.753 5.968 1.00 0.00 H new ATOM 0 HB3 ASN B 12 17.158 -26.635 6.480 1.00 0.00 H new ATOM 0 HD21 ASN B 12 19.009 -30.342 6.456 1.00 0.00 H new ATOM 0 HD22 ASN B 12 19.771 -28.957 5.666 1.00 0.00 H new ATOM 972 N VAL B 13 17.834 -28.735 2.593 1.00 0.00 N ATOM 973 CA VAL B 13 18.716 -29.549 1.709 1.00 0.00 C ATOM 974 C VAL B 13 19.548 -28.617 0.805 1.00 0.00 C ATOM 975 O VAL B 13 20.761 -28.664 0.830 1.00 0.00 O ATOM 976 CB VAL B 13 17.745 -30.449 0.916 1.00 0.00 C ATOM 977 CG1 VAL B 13 18.317 -30.809 -0.462 1.00 0.00 C ATOM 978 CG2 VAL B 13 17.510 -31.738 1.706 1.00 0.00 C ATOM 0 H VAL B 13 16.835 -28.818 2.406 1.00 0.00 H new ATOM 0 HA VAL B 13 19.443 -30.154 2.250 1.00 0.00 H new ATOM 0 HB VAL B 13 16.811 -29.905 0.770 1.00 0.00 H new ATOM 0 HG11 VAL B 13 17.609 -31.444 -0.995 1.00 0.00 H new ATOM 0 HG12 VAL B 13 18.489 -29.897 -1.034 1.00 0.00 H new ATOM 0 HG13 VAL B 13 19.259 -31.342 -0.337 1.00 0.00 H new ATOM 0 HG21 VAL B 13 16.825 -32.383 1.155 1.00 0.00 H new ATOM 0 HG22 VAL B 13 18.459 -32.255 1.849 1.00 0.00 H new ATOM 0 HG23 VAL B 13 17.079 -31.496 2.677 1.00 0.00 H new ATOM 988 N PRO B 14 18.872 -27.793 0.040 1.00 0.00 N ATOM 989 CA PRO B 14 19.580 -26.850 -0.857 1.00 0.00 C ATOM 990 C PRO B 14 20.140 -25.697 -0.031 1.00 0.00 C ATOM 991 O PRO B 14 21.299 -25.343 -0.136 1.00 0.00 O ATOM 992 CB PRO B 14 18.486 -26.355 -1.797 1.00 0.00 C ATOM 993 CG PRO B 14 17.213 -26.522 -1.032 1.00 0.00 C ATOM 994 CD PRO B 14 17.415 -27.659 -0.064 1.00 0.00 C ATOM 0 HA PRO B 14 20.416 -27.299 -1.393 1.00 0.00 H new ATOM 0 HB2 PRO B 14 18.646 -25.313 -2.074 1.00 0.00 H new ATOM 0 HB3 PRO B 14 18.469 -26.932 -2.722 1.00 0.00 H new ATOM 0 HG2 PRO B 14 16.962 -25.605 -0.500 1.00 0.00 H new ATOM 0 HG3 PRO B 14 16.384 -26.735 -1.707 1.00 0.00 H new ATOM 0 HD2 PRO B 14 16.966 -27.441 0.905 1.00 0.00 H new ATOM 0 HD3 PRO B 14 16.956 -28.578 -0.429 1.00 0.00 H new ATOM 1002 N MET B 15 19.320 -25.114 0.798 1.00 0.00 N ATOM 1003 CA MET B 15 19.791 -23.990 1.647 1.00 0.00 C ATOM 1004 C MET B 15 18.682 -23.562 2.613 1.00 0.00 C ATOM 1005 O MET B 15 17.570 -24.045 2.549 1.00 0.00 O ATOM 1006 CB MET B 15 20.124 -22.860 0.671 1.00 0.00 C ATOM 1007 CG MET B 15 21.341 -22.086 1.182 1.00 0.00 C ATOM 1008 SD MET B 15 22.855 -22.892 0.605 1.00 0.00 S ATOM 1009 CE MET B 15 23.242 -21.723 -0.722 1.00 0.00 C ATOM 0 H MET B 15 18.341 -25.370 0.923 1.00 0.00 H new ATOM 0 HA MET B 15 20.654 -24.264 2.254 1.00 0.00 H new ATOM 0 HB2 MET B 15 20.329 -23.268 -0.319 1.00 0.00 H new ATOM 0 HB3 MET B 15 19.270 -22.190 0.569 1.00 0.00 H new ATOM 0 HG2 MET B 15 21.306 -21.056 0.826 1.00 0.00 H new ATOM 0 HG3 MET B 15 21.329 -22.047 2.271 1.00 0.00 H new ATOM 0 HE1 MET B 15 24.159 -22.033 -1.224 1.00 0.00 H new ATOM 0 HE2 MET B 15 22.423 -21.704 -1.441 1.00 0.00 H new ATOM 0 HE3 MET B 15 23.378 -20.727 -0.301 1.00 0.00 H new ATOM 1019 N ASP B 16 18.976 -22.659 3.509 1.00 0.00 N ATOM 1020 CA ASP B 16 17.936 -22.207 4.477 1.00 0.00 C ATOM 1021 C ASP B 16 18.411 -20.958 5.224 1.00 0.00 C ATOM 1022 O ASP B 16 18.754 -21.014 6.389 1.00 0.00 O ATOM 1023 CB ASP B 16 17.760 -23.377 5.445 1.00 0.00 C ATOM 1024 CG ASP B 16 16.482 -23.179 6.261 1.00 0.00 C ATOM 1025 OD1 ASP B 16 15.427 -23.081 5.657 1.00 0.00 O ATOM 1026 OD2 ASP B 16 16.581 -23.129 7.477 1.00 0.00 O ATOM 0 H ASP B 16 19.889 -22.216 3.612 1.00 0.00 H new ATOM 0 HA ASP B 16 17.001 -21.942 3.983 1.00 0.00 H new ATOM 0 HB2 ASP B 16 17.709 -24.315 4.892 1.00 0.00 H new ATOM 0 HB3 ASP B 16 18.621 -23.445 6.110 1.00 0.00 H new ATOM 1031 N MET B 17 18.435 -19.833 4.564 1.00 0.00 N ATOM 1032 CA MET B 17 18.887 -18.582 5.238 1.00 0.00 C ATOM 1033 C MET B 17 18.110 -18.373 6.541 1.00 0.00 C ATOM 1034 O MET B 17 18.653 -17.943 7.539 1.00 0.00 O ATOM 1035 CB MET B 17 18.578 -17.462 4.244 1.00 0.00 C ATOM 1036 CG MET B 17 17.080 -17.451 3.936 1.00 0.00 C ATOM 1037 SD MET B 17 16.744 -16.268 2.608 1.00 0.00 S ATOM 1038 CE MET B 17 16.327 -17.476 1.327 1.00 0.00 C ATOM 0 H MET B 17 18.161 -19.725 3.587 1.00 0.00 H new ATOM 0 HA MET B 17 19.944 -18.613 5.500 1.00 0.00 H new ATOM 0 HB2 MET B 17 18.882 -16.500 4.658 1.00 0.00 H new ATOM 0 HB3 MET B 17 19.148 -17.609 3.326 1.00 0.00 H new ATOM 0 HG2 MET B 17 16.751 -18.448 3.641 1.00 0.00 H new ATOM 0 HG3 MET B 17 16.516 -17.181 4.829 1.00 0.00 H new ATOM 0 HE1 MET B 17 16.081 -16.955 0.402 1.00 0.00 H new ATOM 0 HE2 MET B 17 17.179 -18.135 1.157 1.00 0.00 H new ATOM 0 HE3 MET B 17 15.470 -18.067 1.649 1.00 0.00 H new ATOM 1048 N SER B 18 16.840 -18.677 6.539 1.00 0.00 N ATOM 1049 CA SER B 18 16.028 -18.501 7.776 1.00 0.00 C ATOM 1050 C SER B 18 15.730 -19.867 8.410 1.00 0.00 C ATOM 1051 O SER B 18 15.483 -20.827 7.708 1.00 0.00 O ATOM 1052 CB SER B 18 14.736 -17.833 7.308 1.00 0.00 C ATOM 1053 OG SER B 18 15.030 -16.529 6.826 1.00 0.00 O ATOM 0 H SER B 18 16.330 -19.040 5.734 1.00 0.00 H new ATOM 0 HA SER B 18 16.544 -17.906 8.530 1.00 0.00 H new ATOM 0 HB2 SER B 18 14.270 -18.427 6.522 1.00 0.00 H new ATOM 0 HB3 SER B 18 14.023 -17.777 8.131 1.00 0.00 H new ATOM 0 HG SER B 18 14.204 -16.098 6.523 1.00 0.00 H new ATOM 1059 N PRO B 19 15.769 -19.917 9.720 1.00 0.00 N ATOM 1060 CA PRO B 19 15.503 -21.191 10.443 1.00 0.00 C ATOM 1061 C PRO B 19 14.021 -21.591 10.359 1.00 0.00 C ATOM 1062 O PRO B 19 13.386 -21.807 11.368 1.00 0.00 O ATOM 1063 CB PRO B 19 15.883 -20.866 11.887 1.00 0.00 C ATOM 1064 CG PRO B 19 15.721 -19.385 11.998 1.00 0.00 C ATOM 1065 CD PRO B 19 16.063 -18.815 10.647 1.00 0.00 C ATOM 0 HA PRO B 19 16.059 -22.029 10.023 1.00 0.00 H new ATOM 0 HB2 PRO B 19 15.238 -21.389 12.593 1.00 0.00 H new ATOM 0 HB3 PRO B 19 16.907 -21.170 12.105 1.00 0.00 H new ATOM 0 HG2 PRO B 19 14.701 -19.127 12.281 1.00 0.00 H new ATOM 0 HG3 PRO B 19 16.378 -18.980 12.768 1.00 0.00 H new ATOM 0 HD2 PRO B 19 15.465 -17.932 10.422 1.00 0.00 H new ATOM 0 HD3 PRO B 19 17.109 -18.514 10.592 1.00 0.00 H new ATOM 1073 N LYS B 20 13.482 -21.716 9.167 1.00 0.00 N ATOM 1074 CA LYS B 20 12.042 -22.127 8.997 1.00 0.00 C ATOM 1075 C LYS B 20 11.098 -21.179 9.751 1.00 0.00 C ATOM 1076 O LYS B 20 10.425 -20.365 9.150 1.00 0.00 O ATOM 1077 CB LYS B 20 11.909 -23.562 9.546 1.00 0.00 C ATOM 1078 CG LYS B 20 13.166 -24.385 9.245 1.00 0.00 C ATOM 1079 CD LYS B 20 14.019 -24.469 10.511 1.00 0.00 C ATOM 1080 CE LYS B 20 14.255 -25.936 10.876 1.00 0.00 C ATOM 1081 NZ LYS B 20 15.407 -26.361 10.034 1.00 0.00 N ATOM 0 H LYS B 20 13.981 -21.550 8.293 1.00 0.00 H new ATOM 0 HA LYS B 20 11.763 -22.083 7.944 1.00 0.00 H new ATOM 0 HB2 LYS B 20 11.741 -23.529 10.622 1.00 0.00 H new ATOM 0 HB3 LYS B 20 11.039 -24.046 9.102 1.00 0.00 H new ATOM 0 HG2 LYS B 20 12.890 -25.385 8.909 1.00 0.00 H new ATOM 0 HG3 LYS B 20 13.734 -23.923 8.438 1.00 0.00 H new ATOM 0 HD2 LYS B 20 14.973 -23.965 10.353 1.00 0.00 H new ATOM 0 HD3 LYS B 20 13.520 -23.955 11.333 1.00 0.00 H new ATOM 0 HE2 LYS B 20 14.479 -26.048 11.937 1.00 0.00 H new ATOM 0 HE3 LYS B 20 13.372 -26.541 10.671 1.00 0.00 H new ATOM 0 HZ1 LYS B 20 15.629 -27.358 10.228 1.00 0.00 H new ATOM 0 HZ2 LYS B 20 15.162 -26.250 9.029 1.00 0.00 H new ATOM 0 HZ3 LYS B 20 16.235 -25.772 10.256 1.00 0.00 H new ATOM 1095 N ALA B 21 11.038 -21.271 11.059 1.00 0.00 N ATOM 1096 CA ALA B 21 10.134 -20.369 11.838 1.00 0.00 C ATOM 1097 C ALA B 21 10.324 -18.922 11.382 1.00 0.00 C ATOM 1098 O ALA B 21 9.374 -18.212 11.115 1.00 0.00 O ATOM 1099 CB ALA B 21 10.570 -20.535 13.294 1.00 0.00 C ATOM 0 H ALA B 21 11.576 -21.932 11.619 1.00 0.00 H new ATOM 0 HA ALA B 21 9.081 -20.613 11.699 1.00 0.00 H new ATOM 0 HB1 ALA B 21 9.953 -19.903 13.933 1.00 0.00 H new ATOM 0 HB2 ALA B 21 10.453 -21.577 13.592 1.00 0.00 H new ATOM 0 HB3 ALA B 21 11.615 -20.243 13.396 1.00 0.00 H new ATOM 1105 N LEU B 22 11.548 -18.491 11.267 1.00 0.00 N ATOM 1106 CA LEU B 22 11.807 -17.102 10.802 1.00 0.00 C ATOM 1107 C LEU B 22 11.355 -16.967 9.349 1.00 0.00 C ATOM 1108 O LEU B 22 10.626 -16.064 8.989 1.00 0.00 O ATOM 1109 CB LEU B 22 13.325 -16.933 10.895 1.00 0.00 C ATOM 1110 CG LEU B 22 13.684 -15.552 11.450 1.00 0.00 C ATOM 1111 CD1 LEU B 22 12.918 -14.468 10.689 1.00 0.00 C ATOM 1112 CD2 LEU B 22 13.325 -15.501 12.937 1.00 0.00 C ATOM 0 H LEU B 22 12.381 -19.042 11.475 1.00 0.00 H new ATOM 0 HA LEU B 22 11.276 -16.354 11.390 1.00 0.00 H new ATOM 0 HB2 LEU B 22 13.743 -17.708 11.537 1.00 0.00 H new ATOM 0 HB3 LEU B 22 13.771 -17.061 9.909 1.00 0.00 H new ATOM 0 HG LEU B 22 14.753 -15.375 11.327 1.00 0.00 H new ATOM 0 HD11 LEU B 22 13.179 -13.489 11.090 1.00 0.00 H new ATOM 0 HD12 LEU B 22 13.182 -14.510 9.632 1.00 0.00 H new ATOM 0 HD13 LEU B 22 11.846 -14.632 10.802 1.00 0.00 H new ATOM 0 HD21 LEU B 22 13.578 -14.520 13.339 1.00 0.00 H new ATOM 0 HD22 LEU B 22 12.257 -15.679 13.060 1.00 0.00 H new ATOM 0 HD23 LEU B 22 13.884 -16.268 13.473 1.00 0.00 H new ATOM 1124 N GLN B 23 11.792 -17.868 8.515 1.00 0.00 N ATOM 1125 CA GLN B 23 11.405 -17.818 7.076 1.00 0.00 C ATOM 1126 C GLN B 23 9.885 -17.703 6.938 1.00 0.00 C ATOM 1127 O GLN B 23 9.374 -16.787 6.325 1.00 0.00 O ATOM 1128 CB GLN B 23 11.897 -19.145 6.493 1.00 0.00 C ATOM 1129 CG GLN B 23 12.279 -18.947 5.025 1.00 0.00 C ATOM 1130 CD GLN B 23 13.051 -20.171 4.529 1.00 0.00 C ATOM 1131 OE1 GLN B 23 14.172 -20.054 4.077 1.00 0.00 O ATOM 1132 NE2 GLN B 23 12.494 -21.349 4.595 1.00 0.00 N ATOM 0 H GLN B 23 12.405 -18.643 8.769 1.00 0.00 H new ATOM 0 HA GLN B 23 11.834 -16.958 6.561 1.00 0.00 H new ATOM 0 HB2 GLN B 23 12.756 -19.506 7.058 1.00 0.00 H new ATOM 0 HB3 GLN B 23 11.118 -19.903 6.578 1.00 0.00 H new ATOM 0 HG2 GLN B 23 11.383 -18.800 4.422 1.00 0.00 H new ATOM 0 HG3 GLN B 23 12.888 -18.050 4.915 1.00 0.00 H new ATOM 0 HE21 GLN B 23 11.552 -21.447 4.975 1.00 0.00 H new ATOM 0 HE22 GLN B 23 13.000 -22.172 4.267 1.00 0.00 H new ATOM 1141 N GLN B 24 9.158 -18.628 7.501 1.00 0.00 N ATOM 1142 CA GLN B 24 7.670 -18.574 7.400 1.00 0.00 C ATOM 1143 C GLN B 24 7.138 -17.298 8.058 1.00 0.00 C ATOM 1144 O GLN B 24 6.272 -16.630 7.527 1.00 0.00 O ATOM 1145 CB GLN B 24 7.175 -19.811 8.152 1.00 0.00 C ATOM 1146 CG GLN B 24 6.322 -20.670 7.217 1.00 0.00 C ATOM 1147 CD GLN B 24 5.123 -21.227 7.988 1.00 0.00 C ATOM 1148 OE1 GLN B 24 5.237 -22.224 8.673 1.00 0.00 O ATOM 1149 NE2 GLN B 24 3.970 -20.621 7.904 1.00 0.00 N ATOM 0 H GLN B 24 9.529 -19.419 8.027 1.00 0.00 H new ATOM 0 HA GLN B 24 7.329 -18.562 6.365 1.00 0.00 H new ATOM 0 HB2 GLN B 24 8.023 -20.388 8.521 1.00 0.00 H new ATOM 0 HB3 GLN B 24 6.590 -19.511 9.022 1.00 0.00 H new ATOM 0 HG2 GLN B 24 5.979 -20.075 6.371 1.00 0.00 H new ATOM 0 HG3 GLN B 24 6.918 -21.487 6.811 1.00 0.00 H new ATOM 0 HE21 GLN B 24 3.874 -19.784 7.329 1.00 0.00 H new ATOM 0 HE22 GLN B 24 3.165 -20.984 8.413 1.00 0.00 H new ATOM 1158 N LYS B 25 7.645 -16.956 9.210 1.00 0.00 N ATOM 1159 CA LYS B 25 7.165 -15.723 9.900 1.00 0.00 C ATOM 1160 C LYS B 25 7.247 -14.519 8.958 1.00 0.00 C ATOM 1161 O LYS B 25 6.295 -13.782 8.794 1.00 0.00 O ATOM 1162 CB LYS B 25 8.109 -15.540 11.088 1.00 0.00 C ATOM 1163 CG LYS B 25 7.457 -16.106 12.352 1.00 0.00 C ATOM 1164 CD LYS B 25 8.536 -16.689 13.267 1.00 0.00 C ATOM 1165 CE LYS B 25 8.176 -16.406 14.726 1.00 0.00 C ATOM 1166 NZ LYS B 25 8.974 -17.386 15.516 1.00 0.00 N ATOM 0 H LYS B 25 8.370 -17.476 9.704 1.00 0.00 H new ATOM 0 HA LYS B 25 6.125 -15.807 10.215 1.00 0.00 H new ATOM 0 HB2 LYS B 25 9.055 -16.047 10.896 1.00 0.00 H new ATOM 0 HB3 LYS B 25 8.336 -14.483 11.226 1.00 0.00 H new ATOM 0 HG2 LYS B 25 6.908 -15.321 12.873 1.00 0.00 H new ATOM 0 HG3 LYS B 25 6.735 -16.878 12.087 1.00 0.00 H new ATOM 0 HD2 LYS B 25 8.624 -17.763 13.105 1.00 0.00 H new ATOM 0 HD3 LYS B 25 9.505 -16.251 13.029 1.00 0.00 H new ATOM 0 HE2 LYS B 25 8.424 -15.381 15.002 1.00 0.00 H new ATOM 0 HE3 LYS B 25 7.108 -16.534 14.901 1.00 0.00 H new ATOM 0 HZ1 LYS B 25 8.781 -17.254 16.529 1.00 0.00 H new ATOM 0 HZ2 LYS B 25 8.712 -18.353 15.236 1.00 0.00 H new ATOM 0 HZ3 LYS B 25 9.987 -17.236 15.334 1.00 0.00 H new ATOM 1180 N ILE B 26 8.377 -14.312 8.341 1.00 0.00 N ATOM 1181 CA ILE B 26 8.519 -13.154 7.412 1.00 0.00 C ATOM 1182 C ILE B 26 7.621 -13.342 6.186 1.00 0.00 C ATOM 1183 O ILE B 26 6.768 -12.526 5.897 1.00 0.00 O ATOM 1184 CB ILE B 26 9.991 -13.152 7.003 1.00 0.00 C ATOM 1185 CG1 ILE B 26 10.861 -12.901 8.237 1.00 0.00 C ATOM 1186 CG2 ILE B 26 10.235 -12.046 5.975 1.00 0.00 C ATOM 1187 CD1 ILE B 26 12.337 -13.038 7.857 1.00 0.00 C ATOM 0 H ILE B 26 9.209 -14.894 8.439 1.00 0.00 H new ATOM 0 HA ILE B 26 8.224 -12.214 7.878 1.00 0.00 H new ATOM 0 HB ILE B 26 10.248 -14.117 6.565 1.00 0.00 H new ATOM 0 HG12 ILE B 26 10.668 -11.905 8.635 1.00 0.00 H new ATOM 0 HG13 ILE B 26 10.609 -13.613 9.023 1.00 0.00 H new ATOM 0 HG21 ILE B 26 11.285 -12.045 5.684 1.00 0.00 H new ATOM 0 HG22 ILE B 26 9.615 -12.223 5.096 1.00 0.00 H new ATOM 0 HG23 ILE B 26 9.979 -11.081 6.411 1.00 0.00 H new ATOM 0 HD11 ILE B 26 12.957 -12.859 8.736 1.00 0.00 H new ATOM 0 HD12 ILE B 26 12.524 -14.043 7.479 1.00 0.00 H new ATOM 0 HD13 ILE B 26 12.583 -12.309 7.085 1.00 0.00 H new ATOM 1199 N HIS B 27 7.807 -14.411 5.462 1.00 0.00 N ATOM 1200 CA HIS B 27 6.965 -14.650 4.253 1.00 0.00 C ATOM 1201 C HIS B 27 5.480 -14.618 4.625 1.00 0.00 C ATOM 1202 O HIS B 27 4.625 -14.407 3.788 1.00 0.00 O ATOM 1203 CB HIS B 27 7.365 -16.041 3.761 1.00 0.00 C ATOM 1204 CG HIS B 27 6.639 -16.347 2.480 1.00 0.00 C ATOM 1205 ND1 HIS B 27 6.175 -17.618 2.179 1.00 0.00 N ATOM 1206 CD2 HIS B 27 6.291 -15.558 1.413 1.00 0.00 C ATOM 1207 CE1 HIS B 27 5.578 -17.557 0.975 1.00 0.00 C ATOM 1208 NE2 HIS B 27 5.621 -16.324 0.463 1.00 0.00 N ATOM 0 H HIS B 27 8.505 -15.130 5.654 1.00 0.00 H new ATOM 0 HA HIS B 27 7.116 -13.888 3.488 1.00 0.00 H new ATOM 0 HB2 HIS B 27 8.442 -16.086 3.601 1.00 0.00 H new ATOM 0 HB3 HIS B 27 7.123 -16.789 4.516 1.00 0.00 H new ATOM 0 HD2 HIS B 27 6.504 -14.503 1.324 1.00 0.00 H new ATOM 0 HE1 HIS B 27 5.120 -18.402 0.482 1.00 0.00 H new ATOM 0 HE2 HIS B 27 5.244 -16.011 -0.432 1.00 0.00 H new ATOM 1216 N GLU B 28 5.166 -14.827 5.874 1.00 0.00 N ATOM 1217 CA GLU B 28 3.735 -14.810 6.296 1.00 0.00 C ATOM 1218 C GLU B 28 3.231 -13.369 6.408 1.00 0.00 C ATOM 1219 O GLU B 28 2.152 -13.041 5.955 1.00 0.00 O ATOM 1220 CB GLU B 28 3.717 -15.493 7.663 1.00 0.00 C ATOM 1221 CG GLU B 28 3.527 -17.000 7.479 1.00 0.00 C ATOM 1222 CD GLU B 28 2.082 -17.287 7.068 1.00 0.00 C ATOM 1223 OE1 GLU B 28 1.817 -17.298 5.877 1.00 0.00 O ATOM 1224 OE2 GLU B 28 1.265 -17.491 7.951 1.00 0.00 O ATOM 0 H GLU B 28 5.837 -15.009 6.621 1.00 0.00 H new ATOM 0 HA GLU B 28 3.088 -15.316 5.579 1.00 0.00 H new ATOM 0 HB2 GLU B 28 4.649 -15.295 8.192 1.00 0.00 H new ATOM 0 HB3 GLU B 28 2.911 -15.086 8.274 1.00 0.00 H new ATOM 0 HG2 GLU B 28 4.213 -17.373 6.719 1.00 0.00 H new ATOM 0 HG3 GLU B 28 3.763 -17.523 8.406 1.00 0.00 H new ATOM 1231 N LEU B 29 4.002 -12.506 7.010 1.00 0.00 N ATOM 1232 CA LEU B 29 3.566 -11.086 7.153 1.00 0.00 C ATOM 1233 C LEU B 29 3.698 -10.353 5.814 1.00 0.00 C ATOM 1234 O LEU B 29 2.848 -9.572 5.437 1.00 0.00 O ATOM 1235 CB LEU B 29 4.511 -10.483 8.192 1.00 0.00 C ATOM 1236 CG LEU B 29 4.305 -11.183 9.536 1.00 0.00 C ATOM 1237 CD1 LEU B 29 5.592 -11.098 10.359 1.00 0.00 C ATOM 1238 CD2 LEU B 29 3.168 -10.496 10.297 1.00 0.00 C ATOM 0 H LEU B 29 4.915 -12.722 7.410 1.00 0.00 H new ATOM 0 HA LEU B 29 2.522 -11.004 7.457 1.00 0.00 H new ATOM 0 HB2 LEU B 29 5.545 -10.595 7.867 1.00 0.00 H new ATOM 0 HB3 LEU B 29 4.322 -9.414 8.294 1.00 0.00 H new ATOM 0 HG LEU B 29 4.051 -12.229 9.366 1.00 0.00 H new ATOM 0 HD11 LEU B 29 5.445 -11.597 11.317 1.00 0.00 H new ATOM 0 HD12 LEU B 29 6.403 -11.584 9.817 1.00 0.00 H new ATOM 0 HD13 LEU B 29 5.846 -10.052 10.530 1.00 0.00 H new ATOM 0 HD21 LEU B 29 3.019 -10.993 11.255 1.00 0.00 H new ATOM 0 HD22 LEU B 29 3.424 -9.450 10.467 1.00 0.00 H new ATOM 0 HD23 LEU B 29 2.251 -10.555 9.711 1.00 0.00 H new ATOM 1250 N GLU B 30 4.760 -10.597 5.097 1.00 0.00 N ATOM 1251 CA GLU B 30 4.947 -9.912 3.785 1.00 0.00 C ATOM 1252 C GLU B 30 3.759 -10.199 2.864 1.00 0.00 C ATOM 1253 O GLU B 30 3.276 -9.327 2.169 1.00 0.00 O ATOM 1254 CB GLU B 30 6.231 -10.510 3.206 1.00 0.00 C ATOM 1255 CG GLU B 30 6.785 -9.580 2.125 1.00 0.00 C ATOM 1256 CD GLU B 30 6.669 -10.260 0.759 1.00 0.00 C ATOM 1257 OE1 GLU B 30 5.563 -10.615 0.388 1.00 0.00 O ATOM 1258 OE2 GLU B 30 7.689 -10.414 0.108 1.00 0.00 O ATOM 0 H GLU B 30 5.506 -11.240 5.362 1.00 0.00 H new ATOM 0 HA GLU B 30 5.012 -8.829 3.890 1.00 0.00 H new ATOM 0 HB2 GLU B 30 6.969 -10.647 3.996 1.00 0.00 H new ATOM 0 HB3 GLU B 30 6.028 -11.495 2.785 1.00 0.00 H new ATOM 0 HG2 GLU B 30 6.235 -8.639 2.123 1.00 0.00 H new ATOM 0 HG3 GLU B 30 7.827 -9.339 2.336 1.00 0.00 H new ATOM 1265 N GLY B 31 3.284 -11.414 2.854 1.00 0.00 N ATOM 1266 CA GLY B 31 2.128 -11.755 1.978 1.00 0.00 C ATOM 1267 C GLY B 31 0.869 -11.058 2.499 1.00 0.00 C ATOM 1268 O GLY B 31 -0.044 -10.767 1.752 1.00 0.00 O ATOM 0 H GLY B 31 3.646 -12.185 3.415 1.00 0.00 H new ATOM 0 HA2 GLY B 31 2.331 -11.444 0.953 1.00 0.00 H new ATOM 0 HA3 GLY B 31 1.978 -12.834 1.960 1.00 0.00 H new ATOM 1272 N LEU B 32 0.813 -10.788 3.774 1.00 0.00 N ATOM 1273 CA LEU B 32 -0.388 -10.110 4.340 1.00 0.00 C ATOM 1274 C LEU B 32 -0.320 -8.604 4.076 1.00 0.00 C ATOM 1275 O LEU B 32 -1.327 -7.932 3.983 1.00 0.00 O ATOM 1276 CB LEU B 32 -0.333 -10.395 5.842 1.00 0.00 C ATOM 1277 CG LEU B 32 -1.724 -10.209 6.449 1.00 0.00 C ATOM 1278 CD1 LEU B 32 -2.577 -11.444 6.158 1.00 0.00 C ATOM 1279 CD2 LEU B 32 -1.598 -10.022 7.963 1.00 0.00 C ATOM 0 H LEU B 32 1.546 -11.007 4.448 1.00 0.00 H new ATOM 0 HA LEU B 32 -1.314 -10.468 3.891 1.00 0.00 H new ATOM 0 HB2 LEU B 32 0.019 -11.412 6.017 1.00 0.00 H new ATOM 0 HB3 LEU B 32 0.378 -9.724 6.324 1.00 0.00 H new ATOM 0 HG LEU B 32 -2.197 -9.330 6.011 1.00 0.00 H new ATOM 0 HD11 LEU B 32 -3.569 -11.311 6.591 1.00 0.00 H new ATOM 0 HD12 LEU B 32 -2.666 -11.579 5.080 1.00 0.00 H new ATOM 0 HD13 LEU B 32 -2.105 -12.324 6.596 1.00 0.00 H new ATOM 0 HD21 LEU B 32 -2.589 -9.889 8.397 1.00 0.00 H new ATOM 0 HD22 LEU B 32 -1.125 -10.902 8.400 1.00 0.00 H new ATOM 0 HD23 LEU B 32 -0.990 -9.142 8.172 1.00 0.00 H new ATOM 1291 N MET B 33 0.864 -8.068 3.957 1.00 0.00 N ATOM 1292 CA MET B 33 1.000 -6.605 3.701 1.00 0.00 C ATOM 1293 C MET B 33 0.611 -6.280 2.255 1.00 0.00 C ATOM 1294 O MET B 33 -0.265 -5.478 2.002 1.00 0.00 O ATOM 1295 CB MET B 33 2.479 -6.300 3.945 1.00 0.00 C ATOM 1296 CG MET B 33 2.769 -4.839 3.589 1.00 0.00 C ATOM 1297 SD MET B 33 3.728 -4.767 2.055 1.00 0.00 S ATOM 1298 CE MET B 33 5.371 -4.778 2.816 1.00 0.00 C ATOM 0 H MET B 33 1.744 -8.580 4.026 1.00 0.00 H new ATOM 0 HA MET B 33 0.350 -6.009 4.342 1.00 0.00 H new ATOM 0 HB2 MET B 33 2.732 -6.487 4.989 1.00 0.00 H new ATOM 0 HB3 MET B 33 3.101 -6.962 3.343 1.00 0.00 H new ATOM 0 HG2 MET B 33 1.835 -4.290 3.472 1.00 0.00 H new ATOM 0 HG3 MET B 33 3.321 -4.360 4.398 1.00 0.00 H new ATOM 0 HE1 MET B 33 6.091 -5.209 2.121 1.00 0.00 H new ATOM 0 HE2 MET B 33 5.667 -3.757 3.058 1.00 0.00 H new ATOM 0 HE3 MET B 33 5.346 -5.375 3.728 1.00 0.00 H new ATOM 1308 N MET B 34 1.257 -6.898 1.303 1.00 0.00 N ATOM 1309 CA MET B 34 0.925 -6.624 -0.124 1.00 0.00 C ATOM 1310 C MET B 34 -0.571 -6.843 -0.373 1.00 0.00 C ATOM 1311 O MET B 34 -1.196 -6.127 -1.130 1.00 0.00 O ATOM 1312 CB MET B 34 1.753 -7.630 -0.923 1.00 0.00 C ATOM 1313 CG MET B 34 2.238 -6.980 -2.220 1.00 0.00 C ATOM 1314 SD MET B 34 3.847 -6.201 -1.939 1.00 0.00 S ATOM 1315 CE MET B 34 3.498 -4.646 -2.796 1.00 0.00 C ATOM 0 H MET B 34 2.000 -7.581 1.452 1.00 0.00 H new ATOM 0 HA MET B 34 1.146 -5.595 -0.408 1.00 0.00 H new ATOM 0 HB2 MET B 34 2.605 -7.966 -0.332 1.00 0.00 H new ATOM 0 HB3 MET B 34 1.154 -8.512 -1.148 1.00 0.00 H new ATOM 0 HG2 MET B 34 2.317 -7.729 -3.007 1.00 0.00 H new ATOM 0 HG3 MET B 34 1.516 -6.237 -2.559 1.00 0.00 H new ATOM 0 HE1 MET B 34 4.307 -3.939 -2.612 1.00 0.00 H new ATOM 0 HE2 MET B 34 3.415 -4.831 -3.867 1.00 0.00 H new ATOM 0 HE3 MET B 34 2.561 -4.229 -2.426 1.00 0.00 H new ATOM 1325 N GLN B 35 -1.147 -7.828 0.259 1.00 0.00 N ATOM 1326 CA GLN B 35 -2.602 -8.096 0.059 1.00 0.00 C ATOM 1327 C GLN B 35 -3.416 -6.820 0.298 1.00 0.00 C ATOM 1328 O GLN B 35 -3.910 -6.206 -0.627 1.00 0.00 O ATOM 1329 CB GLN B 35 -2.947 -9.161 1.104 1.00 0.00 C ATOM 1330 CG GLN B 35 -4.453 -9.436 1.086 1.00 0.00 C ATOM 1331 CD GLN B 35 -4.717 -10.799 0.444 1.00 0.00 C ATOM 1332 OE1 GLN B 35 -4.865 -10.898 -0.759 1.00 0.00 O ATOM 1333 NE2 GLN B 35 -4.782 -11.861 1.199 1.00 0.00 N ATOM 0 H GLN B 35 -0.674 -8.460 0.906 1.00 0.00 H new ATOM 0 HA GLN B 35 -2.829 -8.426 -0.955 1.00 0.00 H new ATOM 0 HB2 GLN B 35 -2.398 -10.079 0.896 1.00 0.00 H new ATOM 0 HB3 GLN B 35 -2.641 -8.824 2.095 1.00 0.00 H new ATOM 0 HG2 GLN B 35 -4.848 -9.418 2.102 1.00 0.00 H new ATOM 0 HG3 GLN B 35 -4.969 -8.654 0.529 1.00 0.00 H new ATOM 0 HE21 GLN B 35 -4.658 -11.778 2.208 1.00 0.00 H new ATOM 0 HE22 GLN B 35 -4.957 -12.774 0.780 1.00 0.00 H new ATOM 1342 N HIS B 36 -3.563 -6.424 1.533 1.00 0.00 N ATOM 1343 CA HIS B 36 -4.351 -5.192 1.845 1.00 0.00 C ATOM 1344 C HIS B 36 -3.942 -4.033 0.925 1.00 0.00 C ATOM 1345 O HIS B 36 -4.768 -3.439 0.260 1.00 0.00 O ATOM 1346 CB HIS B 36 -4.011 -4.874 3.301 1.00 0.00 C ATOM 1347 CG HIS B 36 -4.723 -5.846 4.202 1.00 0.00 C ATOM 1348 ND1 HIS B 36 -5.952 -6.451 4.110 1.00 0.00 N flip ATOM 1349 CD2 HIS B 36 -4.159 -6.312 5.379 1.00 0.00 C flip ATOM 1350 CE1 HIS B 36 -6.150 -7.280 5.211 1.00 0.00 C flip ATOM 1351 NE2 HIS B 36 -5.040 -7.158 5.944 1.00 0.00 N flip ATOM 0 H HIS B 36 -3.170 -6.901 2.344 1.00 0.00 H new ATOM 0 HA HIS B 36 -5.420 -5.338 1.693 1.00 0.00 H new ATOM 0 HB2 HIS B 36 -2.934 -4.938 3.457 1.00 0.00 H new ATOM 0 HB3 HIS B 36 -4.308 -3.853 3.541 1.00 0.00 H new ATOM 0 HD2 HIS B 36 -3.189 -6.045 5.771 1.00 0.00 H new ATOM 0 HE1 HIS B 36 -7.015 -7.890 5.426 1.00 0.00 H new ATOM 0 HE2 HIS B 36 -4.880 -7.647 6.825 1.00 0.00 H new ATOM 1359 N ALA B 37 -2.675 -3.712 0.873 1.00 0.00 N ATOM 1360 CA ALA B 37 -2.218 -2.598 -0.015 1.00 0.00 C ATOM 1361 C ALA B 37 -2.790 -2.793 -1.422 1.00 0.00 C ATOM 1362 O ALA B 37 -3.277 -1.867 -2.041 1.00 0.00 O ATOM 1363 CB ALA B 37 -0.693 -2.710 -0.035 1.00 0.00 C ATOM 0 H ALA B 37 -1.937 -4.172 1.406 1.00 0.00 H new ATOM 0 HA ALA B 37 -2.547 -1.620 0.335 1.00 0.00 H new ATOM 0 HB1 ALA B 37 -0.279 -1.925 -0.667 1.00 0.00 H new ATOM 0 HB2 ALA B 37 -0.307 -2.601 0.978 1.00 0.00 H new ATOM 0 HB3 ALA B 37 -0.405 -3.684 -0.430 1.00 0.00 H new ATOM 1369 N GLN B 38 -2.749 -3.999 -1.923 1.00 0.00 N ATOM 1370 CA GLN B 38 -3.305 -4.262 -3.280 1.00 0.00 C ATOM 1371 C GLN B 38 -4.825 -4.101 -3.243 1.00 0.00 C ATOM 1372 O GLN B 38 -5.443 -3.686 -4.205 1.00 0.00 O ATOM 1373 CB GLN B 38 -2.922 -5.708 -3.597 1.00 0.00 C ATOM 1374 CG GLN B 38 -1.495 -5.750 -4.147 1.00 0.00 C ATOM 1375 CD GLN B 38 -1.113 -7.196 -4.468 1.00 0.00 C ATOM 1376 OE1 GLN B 38 -1.970 -8.045 -4.610 1.00 0.00 O ATOM 1377 NE2 GLN B 38 0.147 -7.513 -4.592 1.00 0.00 N ATOM 0 H GLN B 38 -2.354 -4.812 -1.451 1.00 0.00 H new ATOM 0 HA GLN B 38 -2.921 -3.574 -4.034 1.00 0.00 H new ATOM 0 HB2 GLN B 38 -2.995 -6.320 -2.698 1.00 0.00 H new ATOM 0 HB3 GLN B 38 -3.616 -6.128 -4.325 1.00 0.00 H new ATOM 0 HG2 GLN B 38 -1.422 -5.136 -5.044 1.00 0.00 H new ATOM 0 HG3 GLN B 38 -0.801 -5.333 -3.418 1.00 0.00 H new ATOM 0 HE21 GLN B 38 0.866 -6.800 -4.473 1.00 0.00 H new ATOM 0 HE22 GLN B 38 0.412 -8.474 -4.808 1.00 0.00 H new ATOM 1386 N ASN B 39 -5.429 -4.411 -2.127 1.00 0.00 N ATOM 1387 CA ASN B 39 -6.908 -4.260 -2.009 1.00 0.00 C ATOM 1388 C ASN B 39 -7.247 -2.860 -1.484 1.00 0.00 C ATOM 1389 O ASN B 39 -8.354 -2.597 -1.056 1.00 0.00 O ATOM 1390 CB ASN B 39 -7.336 -5.329 -1.003 1.00 0.00 C ATOM 1391 CG ASN B 39 -6.861 -6.702 -1.482 1.00 0.00 C ATOM 1392 OD1 ASN B 39 -6.358 -6.835 -2.580 1.00 0.00 O ATOM 1393 ND2 ASN B 39 -6.999 -7.737 -0.698 1.00 0.00 N ATOM 0 H ASN B 39 -4.961 -4.763 -1.291 1.00 0.00 H new ATOM 0 HA ASN B 39 -7.417 -4.377 -2.965 1.00 0.00 H new ATOM 0 HB2 ASN B 39 -6.915 -5.109 -0.022 1.00 0.00 H new ATOM 0 HB3 ASN B 39 -8.420 -5.326 -0.893 1.00 0.00 H new ATOM 0 HD21 ASN B 39 -6.685 -8.657 -1.007 1.00 0.00 H new ATOM 0 HD22 ASN B 39 -7.421 -7.626 0.224 1.00 0.00 H new ATOM 1400 N LEU B 40 -6.300 -1.957 -1.522 1.00 0.00 N ATOM 1401 CA LEU B 40 -6.548 -0.568 -1.037 1.00 0.00 C ATOM 1402 C LEU B 40 -6.955 -0.564 0.438 1.00 0.00 C ATOM 1403 O LEU B 40 -7.644 0.325 0.897 1.00 0.00 O ATOM 1404 CB LEU B 40 -7.679 -0.025 -1.913 1.00 0.00 C ATOM 1405 CG LEU B 40 -7.142 1.105 -2.793 1.00 0.00 C ATOM 1406 CD1 LEU B 40 -7.884 1.106 -4.130 1.00 0.00 C ATOM 1407 CD2 LEU B 40 -7.361 2.444 -2.086 1.00 0.00 C ATOM 0 H LEU B 40 -5.357 -2.126 -1.872 1.00 0.00 H new ATOM 0 HA LEU B 40 -5.650 0.046 -1.108 1.00 0.00 H new ATOM 0 HB2 LEU B 40 -8.087 -0.822 -2.534 1.00 0.00 H new ATOM 0 HB3 LEU B 40 -8.494 0.341 -1.288 1.00 0.00 H new ATOM 0 HG LEU B 40 -6.077 0.956 -2.970 1.00 0.00 H new ATOM 0 HD11 LEU B 40 -7.502 1.911 -4.758 1.00 0.00 H new ATOM 0 HD12 LEU B 40 -7.731 0.151 -4.632 1.00 0.00 H new ATOM 0 HD13 LEU B 40 -8.949 1.257 -3.955 1.00 0.00 H new ATOM 0 HD21 LEU B 40 -6.979 3.252 -2.710 1.00 0.00 H new ATOM 0 HD22 LEU B 40 -8.426 2.593 -1.911 1.00 0.00 H new ATOM 0 HD23 LEU B 40 -6.833 2.442 -1.132 1.00 0.00 H new ATOM 1419 N GLU B 41 -6.521 -1.536 1.191 1.00 0.00 N ATOM 1420 CA GLU B 41 -6.871 -1.560 2.640 1.00 0.00 C ATOM 1421 C GLU B 41 -5.989 -0.559 3.385 1.00 0.00 C ATOM 1422 O GLU B 41 -6.455 0.224 4.189 1.00 0.00 O ATOM 1423 CB GLU B 41 -6.581 -2.988 3.102 1.00 0.00 C ATOM 1424 CG GLU B 41 -7.899 -3.711 3.389 1.00 0.00 C ATOM 1425 CD GLU B 41 -8.671 -2.954 4.472 1.00 0.00 C ATOM 1426 OE1 GLU B 41 -8.047 -2.527 5.428 1.00 0.00 O ATOM 1427 OE2 GLU B 41 -9.875 -2.816 4.325 1.00 0.00 O ATOM 0 H GLU B 41 -5.942 -2.311 0.869 1.00 0.00 H new ATOM 0 HA GLU B 41 -7.909 -1.287 2.829 1.00 0.00 H new ATOM 0 HB2 GLU B 41 -6.021 -3.523 2.335 1.00 0.00 H new ATOM 0 HB3 GLU B 41 -5.960 -2.972 3.998 1.00 0.00 H new ATOM 0 HG2 GLU B 41 -8.496 -3.775 2.479 1.00 0.00 H new ATOM 0 HG3 GLU B 41 -7.702 -4.733 3.714 1.00 0.00 H new ATOM 1434 N PHE B 42 -4.715 -0.574 3.105 1.00 0.00 N ATOM 1435 CA PHE B 42 -3.780 0.377 3.771 1.00 0.00 C ATOM 1436 C PHE B 42 -3.975 0.369 5.287 1.00 0.00 C ATOM 1437 O PHE B 42 -4.767 -0.384 5.811 1.00 0.00 O ATOM 1438 CB PHE B 42 -4.127 1.747 3.190 1.00 0.00 C ATOM 1439 CG PHE B 42 -3.297 1.997 1.954 1.00 0.00 C ATOM 1440 CD1 PHE B 42 -1.901 1.773 1.983 1.00 0.00 C ATOM 1441 CD2 PHE B 42 -3.913 2.456 0.768 1.00 0.00 C ATOM 1442 CE1 PHE B 42 -1.124 2.009 0.828 1.00 0.00 C ATOM 1443 CE2 PHE B 42 -3.135 2.693 -0.386 1.00 0.00 C ATOM 1444 CZ PHE B 42 -1.740 2.469 -0.356 1.00 0.00 C ATOM 0 H PHE B 42 -4.278 -1.210 2.438 1.00 0.00 H new ATOM 0 HA PHE B 42 -2.738 0.108 3.596 1.00 0.00 H new ATOM 0 HB2 PHE B 42 -5.188 1.791 2.943 1.00 0.00 H new ATOM 0 HB3 PHE B 42 -3.940 2.525 3.930 1.00 0.00 H new ATOM 0 HD1 PHE B 42 -1.429 1.421 2.889 1.00 0.00 H new ATOM 0 HD2 PHE B 42 -4.979 2.626 0.744 1.00 0.00 H new ATOM 0 HE1 PHE B 42 -0.058 1.838 0.850 1.00 0.00 H new ATOM 0 HE2 PHE B 42 -3.606 3.045 -1.292 1.00 0.00 H new ATOM 0 HZ PHE B 42 -1.145 2.650 -1.239 1.00 0.00 H new ATOM 1454 N GLU B 43 -3.223 1.196 5.977 1.00 0.00 N ATOM 1455 CA GLU B 43 -3.280 1.281 7.469 1.00 0.00 C ATOM 1456 C GLU B 43 -2.777 -0.028 8.063 1.00 0.00 C ATOM 1457 O GLU B 43 -1.774 -0.077 8.744 1.00 0.00 O ATOM 1458 CB GLU B 43 -4.748 1.533 7.842 1.00 0.00 C ATOM 1459 CG GLU B 43 -4.884 1.524 9.365 1.00 0.00 C ATOM 1460 CD GLU B 43 -6.364 1.452 9.745 1.00 0.00 C ATOM 1461 OE1 GLU B 43 -7.130 0.908 8.966 1.00 0.00 O ATOM 1462 OE2 GLU B 43 -6.707 1.942 10.808 1.00 0.00 O ATOM 0 H GLU B 43 -2.552 1.835 5.551 1.00 0.00 H new ATOM 0 HA GLU B 43 -2.653 2.083 7.858 1.00 0.00 H new ATOM 0 HB2 GLU B 43 -5.079 2.491 7.440 1.00 0.00 H new ATOM 0 HB3 GLU B 43 -5.385 0.765 7.403 1.00 0.00 H new ATOM 0 HG2 GLU B 43 -4.348 0.672 9.783 1.00 0.00 H new ATOM 0 HG3 GLU B 43 -4.433 2.422 9.786 1.00 0.00 H new ATOM 1469 N GLU B 44 -3.460 -1.086 7.781 1.00 0.00 N ATOM 1470 CA GLU B 44 -3.036 -2.418 8.289 1.00 0.00 C ATOM 1471 C GLU B 44 -1.945 -2.991 7.378 1.00 0.00 C ATOM 1472 O GLU B 44 -1.086 -3.733 7.810 1.00 0.00 O ATOM 1473 CB GLU B 44 -4.297 -3.287 8.247 1.00 0.00 C ATOM 1474 CG GLU B 44 -4.754 -3.477 6.797 1.00 0.00 C ATOM 1475 CD GLU B 44 -5.902 -4.487 6.754 1.00 0.00 C ATOM 1476 OE1 GLU B 44 -6.025 -5.256 7.693 1.00 0.00 O ATOM 1477 OE2 GLU B 44 -6.639 -4.475 5.782 1.00 0.00 O ATOM 0 H GLU B 44 -4.307 -1.092 7.213 1.00 0.00 H new ATOM 0 HA GLU B 44 -2.622 -2.370 9.296 1.00 0.00 H new ATOM 0 HB2 GLU B 44 -4.096 -4.256 8.704 1.00 0.00 H new ATOM 0 HB3 GLU B 44 -5.091 -2.819 8.829 1.00 0.00 H new ATOM 0 HG2 GLU B 44 -5.078 -2.524 6.378 1.00 0.00 H new ATOM 0 HG3 GLU B 44 -3.923 -3.828 6.185 1.00 0.00 H new ATOM 1484 N ALA B 45 -1.981 -2.652 6.114 1.00 0.00 N ATOM 1485 CA ALA B 45 -0.954 -3.179 5.169 1.00 0.00 C ATOM 1486 C ALA B 45 0.345 -2.379 5.273 1.00 0.00 C ATOM 1487 O ALA B 45 1.421 -2.936 5.369 1.00 0.00 O ATOM 1488 CB ALA B 45 -1.571 -3.005 3.783 1.00 0.00 C ATOM 0 H ALA B 45 -2.677 -2.034 5.697 1.00 0.00 H new ATOM 0 HA ALA B 45 -0.699 -4.217 5.385 1.00 0.00 H new ATOM 0 HB1 ALA B 45 -0.876 -3.370 3.027 1.00 0.00 H new ATOM 0 HB2 ALA B 45 -2.501 -3.571 3.725 1.00 0.00 H new ATOM 0 HB3 ALA B 45 -1.777 -1.949 3.607 1.00 0.00 H new ATOM 1494 N ALA B 46 0.257 -1.078 5.242 1.00 0.00 N ATOM 1495 CA ALA B 46 1.494 -0.251 5.325 1.00 0.00 C ATOM 1496 C ALA B 46 2.113 -0.355 6.721 1.00 0.00 C ATOM 1497 O ALA B 46 3.281 -0.080 6.911 1.00 0.00 O ATOM 1498 CB ALA B 46 1.038 1.176 5.029 1.00 0.00 C ATOM 0 H ALA B 46 -0.614 -0.553 5.163 1.00 0.00 H new ATOM 0 HA ALA B 46 2.261 -0.581 4.624 1.00 0.00 H new ATOM 0 HB1 ALA B 46 1.895 1.848 5.071 1.00 0.00 H new ATOM 0 HB2 ALA B 46 0.593 1.217 4.035 1.00 0.00 H new ATOM 0 HB3 ALA B 46 0.299 1.483 5.770 1.00 0.00 H new ATOM 1504 N GLN B 47 1.348 -0.760 7.697 1.00 0.00 N ATOM 1505 CA GLN B 47 1.909 -0.891 9.072 1.00 0.00 C ATOM 1506 C GLN B 47 2.735 -2.174 9.172 1.00 0.00 C ATOM 1507 O GLN B 47 3.867 -2.161 9.612 1.00 0.00 O ATOM 1508 CB GLN B 47 0.697 -0.965 9.996 1.00 0.00 C ATOM 1509 CG GLN B 47 0.377 0.432 10.533 1.00 0.00 C ATOM 1510 CD GLN B 47 -0.461 0.311 11.807 1.00 0.00 C ATOM 1511 OE1 GLN B 47 -0.066 0.782 12.855 1.00 0.00 O ATOM 1512 NE2 GLN B 47 -1.610 -0.307 11.762 1.00 0.00 N ATOM 0 H GLN B 47 0.362 -1.005 7.603 1.00 0.00 H new ATOM 0 HA GLN B 47 2.564 -0.060 9.333 1.00 0.00 H new ATOM 0 HB2 GLN B 47 -0.162 -1.364 9.456 1.00 0.00 H new ATOM 0 HB3 GLN B 47 0.898 -1.647 10.823 1.00 0.00 H new ATOM 0 HG2 GLN B 47 1.300 0.973 10.742 1.00 0.00 H new ATOM 0 HG3 GLN B 47 -0.165 1.006 9.782 1.00 0.00 H new ATOM 0 HE21 GLN B 47 -1.942 -0.703 10.882 1.00 0.00 H new ATOM 0 HE22 GLN B 47 -2.176 -0.394 12.606 1.00 0.00 H new ATOM 1521 N ILE B 48 2.181 -3.284 8.756 1.00 0.00 N ATOM 1522 CA ILE B 48 2.943 -4.567 8.817 1.00 0.00 C ATOM 1523 C ILE B 48 4.306 -4.382 8.150 1.00 0.00 C ATOM 1524 O ILE B 48 5.291 -4.974 8.543 1.00 0.00 O ATOM 1525 CB ILE B 48 2.092 -5.573 8.041 1.00 0.00 C ATOM 1526 CG1 ILE B 48 0.768 -5.794 8.776 1.00 0.00 C ATOM 1527 CG2 ILE B 48 2.842 -6.902 7.935 1.00 0.00 C ATOM 1528 CD1 ILE B 48 -0.251 -6.413 7.817 1.00 0.00 C ATOM 0 H ILE B 48 1.237 -3.357 8.378 1.00 0.00 H new ATOM 0 HA ILE B 48 3.125 -4.901 9.838 1.00 0.00 H new ATOM 0 HB ILE B 48 1.894 -5.186 7.041 1.00 0.00 H new ATOM 0 HG12 ILE B 48 0.921 -6.449 9.634 1.00 0.00 H new ATOM 0 HG13 ILE B 48 0.391 -4.847 9.162 1.00 0.00 H new ATOM 0 HG21 ILE B 48 2.235 -7.619 7.382 1.00 0.00 H new ATOM 0 HG22 ILE B 48 3.786 -6.746 7.413 1.00 0.00 H new ATOM 0 HG23 ILE B 48 3.040 -7.289 8.935 1.00 0.00 H new ATOM 0 HD11 ILE B 48 -1.194 -6.571 8.340 1.00 0.00 H new ATOM 0 HD12 ILE B 48 -0.412 -5.741 6.974 1.00 0.00 H new ATOM 0 HD13 ILE B 48 0.126 -7.369 7.453 1.00 0.00 H new ATOM 1540 N ARG B 49 4.367 -3.546 7.150 1.00 0.00 N ATOM 1541 CA ARG B 49 5.662 -3.294 6.460 1.00 0.00 C ATOM 1542 C ARG B 49 6.712 -2.874 7.498 1.00 0.00 C ATOM 1543 O ARG B 49 7.898 -3.045 7.301 1.00 0.00 O ATOM 1544 CB ARG B 49 5.345 -2.162 5.468 1.00 0.00 C ATOM 1545 CG ARG B 49 6.626 -1.451 5.010 1.00 0.00 C ATOM 1546 CD ARG B 49 6.605 -0.001 5.501 1.00 0.00 C ATOM 1547 NE ARG B 49 6.413 -0.086 6.978 1.00 0.00 N ATOM 1548 CZ ARG B 49 7.306 0.426 7.781 1.00 0.00 C ATOM 1549 NH1 ARG B 49 8.568 0.140 7.618 1.00 0.00 N ATOM 1550 NH2 ARG B 49 6.936 1.226 8.743 1.00 0.00 N ATOM 0 H ARG B 49 3.572 -3.025 6.780 1.00 0.00 H new ATOM 0 HA ARG B 49 6.068 -4.166 5.947 1.00 0.00 H new ATOM 0 HB2 ARG B 49 4.822 -2.569 4.602 1.00 0.00 H new ATOM 0 HB3 ARG B 49 4.674 -1.442 5.936 1.00 0.00 H new ATOM 0 HG2 ARG B 49 7.502 -1.967 5.403 1.00 0.00 H new ATOM 0 HG3 ARG B 49 6.701 -1.478 3.923 1.00 0.00 H new ATOM 0 HD2 ARG B 49 7.535 0.511 5.255 1.00 0.00 H new ATOM 0 HD3 ARG B 49 5.798 0.561 5.032 1.00 0.00 H new ATOM 0 HE ARG B 49 5.585 -0.543 7.360 1.00 0.00 H new ATOM 0 HH11 ARG B 49 8.856 -0.483 6.864 1.00 0.00 H new ATOM 0 HH12 ARG B 49 9.267 0.539 8.245 1.00 0.00 H new ATOM 0 HH21 ARG B 49 5.949 1.451 8.868 1.00 0.00 H new ATOM 0 HH22 ARG B 49 7.634 1.626 9.370 1.00 0.00 H new ATOM 1564 N ASP B 50 6.279 -2.335 8.605 1.00 0.00 N ATOM 1565 CA ASP B 50 7.245 -1.915 9.658 1.00 0.00 C ATOM 1566 C ASP B 50 7.680 -3.132 10.478 1.00 0.00 C ATOM 1567 O ASP B 50 8.780 -3.187 10.992 1.00 0.00 O ATOM 1568 CB ASP B 50 6.474 -0.925 10.534 1.00 0.00 C ATOM 1569 CG ASP B 50 7.456 0.038 11.203 1.00 0.00 C ATOM 1570 OD1 ASP B 50 8.497 0.292 10.618 1.00 0.00 O ATOM 1571 OD2 ASP B 50 7.151 0.506 12.287 1.00 0.00 O ATOM 0 H ASP B 50 5.297 -2.167 8.825 1.00 0.00 H new ATOM 0 HA ASP B 50 8.147 -1.468 9.241 1.00 0.00 H new ATOM 0 HB2 ASP B 50 5.758 -0.369 9.929 1.00 0.00 H new ATOM 0 HB3 ASP B 50 5.902 -1.462 11.291 1.00 0.00 H new ATOM 1576 N GLN B 51 6.825 -4.111 10.599 1.00 0.00 N ATOM 1577 CA GLN B 51 7.187 -5.327 11.382 1.00 0.00 C ATOM 1578 C GLN B 51 8.213 -6.162 10.610 1.00 0.00 C ATOM 1579 O GLN B 51 9.146 -6.694 11.178 1.00 0.00 O ATOM 1580 CB GLN B 51 5.877 -6.100 11.541 1.00 0.00 C ATOM 1581 CG GLN B 51 4.846 -5.220 12.248 1.00 0.00 C ATOM 1582 CD GLN B 51 3.481 -5.909 12.223 1.00 0.00 C ATOM 1583 OE1 GLN B 51 2.458 -5.257 12.165 1.00 0.00 O ATOM 1584 NE2 GLN B 51 3.421 -7.213 12.264 1.00 0.00 N ATOM 0 H GLN B 51 5.891 -4.121 10.189 1.00 0.00 H new ATOM 0 HA GLN B 51 7.634 -5.082 12.345 1.00 0.00 H new ATOM 0 HB2 GLN B 51 5.502 -6.404 10.564 1.00 0.00 H new ATOM 0 HB3 GLN B 51 6.048 -7.011 12.115 1.00 0.00 H new ATOM 0 HG2 GLN B 51 5.154 -5.037 13.278 1.00 0.00 H new ATOM 0 HG3 GLN B 51 4.784 -4.249 11.757 1.00 0.00 H new ATOM 0 HE21 GLN B 51 4.279 -7.762 12.313 1.00 0.00 H new ATOM 0 HE22 GLN B 51 2.516 -7.683 12.247 1.00 0.00 H new ATOM 1593 N LEU B 52 8.047 -6.279 9.321 1.00 0.00 N ATOM 1594 CA LEU B 52 9.014 -7.079 8.515 1.00 0.00 C ATOM 1595 C LEU B 52 10.443 -6.595 8.776 1.00 0.00 C ATOM 1596 O LEU B 52 11.388 -7.357 8.713 1.00 0.00 O ATOM 1597 CB LEU B 52 8.620 -6.827 7.058 1.00 0.00 C ATOM 1598 CG LEU B 52 7.951 -8.079 6.487 1.00 0.00 C ATOM 1599 CD1 LEU B 52 8.932 -9.251 6.539 1.00 0.00 C ATOM 1600 CD2 LEU B 52 6.709 -8.417 7.314 1.00 0.00 C ATOM 0 H LEU B 52 7.285 -5.856 8.791 1.00 0.00 H new ATOM 0 HA LEU B 52 8.985 -8.139 8.767 1.00 0.00 H new ATOM 0 HB2 LEU B 52 7.940 -5.978 6.996 1.00 0.00 H new ATOM 0 HB3 LEU B 52 9.502 -6.573 6.470 1.00 0.00 H new ATOM 0 HG LEU B 52 7.660 -7.895 5.453 1.00 0.00 H new ATOM 0 HD11 LEU B 52 8.455 -10.143 6.132 1.00 0.00 H new ATOM 0 HD12 LEU B 52 9.817 -9.011 5.949 1.00 0.00 H new ATOM 0 HD13 LEU B 52 9.224 -9.435 7.573 1.00 0.00 H new ATOM 0 HD21 LEU B 52 6.233 -9.309 6.907 1.00 0.00 H new ATOM 0 HD22 LEU B 52 7.000 -8.601 8.348 1.00 0.00 H new ATOM 0 HD23 LEU B 52 6.009 -7.583 7.277 1.00 0.00 H new ATOM 1612 N HIS B 53 10.606 -5.335 9.072 1.00 0.00 N ATOM 1613 CA HIS B 53 11.973 -4.803 9.341 1.00 0.00 C ATOM 1614 C HIS B 53 12.399 -5.146 10.771 1.00 0.00 C ATOM 1615 O HIS B 53 13.544 -5.456 11.032 1.00 0.00 O ATOM 1616 CB HIS B 53 11.850 -3.288 9.167 1.00 0.00 C ATOM 1617 CG HIS B 53 12.490 -2.880 7.868 1.00 0.00 C ATOM 1618 ND1 HIS B 53 11.981 -3.269 6.639 1.00 0.00 N ATOM 1619 CD2 HIS B 53 13.596 -2.117 7.591 1.00 0.00 C ATOM 1620 CE1 HIS B 53 12.774 -2.743 5.687 1.00 0.00 C ATOM 1621 NE2 HIS B 53 13.775 -2.031 6.214 1.00 0.00 N ATOM 0 H HIS B 53 9.853 -4.651 9.139 1.00 0.00 H new ATOM 0 HA HIS B 53 12.722 -5.230 8.674 1.00 0.00 H new ATOM 0 HB2 HIS B 53 10.800 -2.994 9.176 1.00 0.00 H new ATOM 0 HB3 HIS B 53 12.332 -2.775 9.999 1.00 0.00 H new ATOM 0 HD2 HIS B 53 14.232 -1.653 8.330 1.00 0.00 H new ATOM 0 HE1 HIS B 53 12.620 -2.880 4.627 1.00 0.00 H new ATOM 0 HE2 HIS B 53 14.511 -1.532 5.714 1.00 0.00 H new ATOM 1629 N GLN B 54 11.482 -5.095 11.699 1.00 0.00 N ATOM 1630 CA GLN B 54 11.832 -5.420 13.112 1.00 0.00 C ATOM 1631 C GLN B 54 12.175 -6.906 13.241 1.00 0.00 C ATOM 1632 O GLN B 54 13.082 -7.284 13.954 1.00 0.00 O ATOM 1633 CB GLN B 54 10.575 -5.087 13.917 1.00 0.00 C ATOM 1634 CG GLN B 54 10.950 -4.868 15.384 1.00 0.00 C ATOM 1635 CD GLN B 54 9.703 -4.478 16.178 1.00 0.00 C ATOM 1636 OE1 GLN B 54 9.228 -3.364 16.079 1.00 0.00 O ATOM 1637 NE2 GLN B 54 9.147 -5.356 16.968 1.00 0.00 N ATOM 0 H GLN B 54 10.507 -4.843 11.540 1.00 0.00 H new ATOM 0 HA GLN B 54 12.700 -4.862 13.463 1.00 0.00 H new ATOM 0 HB2 GLN B 54 10.100 -4.192 13.515 1.00 0.00 H new ATOM 0 HB3 GLN B 54 9.851 -5.898 13.833 1.00 0.00 H new ATOM 0 HG2 GLN B 54 11.388 -5.776 15.798 1.00 0.00 H new ATOM 0 HG3 GLN B 54 11.704 -4.085 15.464 1.00 0.00 H new ATOM 0 HE21 GLN B 54 9.545 -6.291 17.052 1.00 0.00 H new ATOM 0 HE22 GLN B 54 8.314 -5.107 17.502 1.00 0.00 H new ATOM 1646 N LEU B 55 11.456 -7.752 12.554 1.00 0.00 N ATOM 1647 CA LEU B 55 11.741 -9.213 12.636 1.00 0.00 C ATOM 1648 C LEU B 55 13.178 -9.497 12.190 1.00 0.00 C ATOM 1649 O LEU B 55 13.751 -10.516 12.520 1.00 0.00 O ATOM 1650 CB LEU B 55 10.743 -9.866 11.679 1.00 0.00 C ATOM 1651 CG LEU B 55 9.577 -10.450 12.478 1.00 0.00 C ATOM 1652 CD1 LEU B 55 8.254 -10.024 11.836 1.00 0.00 C ATOM 1653 CD2 LEU B 55 9.674 -11.976 12.477 1.00 0.00 C ATOM 0 H LEU B 55 10.684 -7.494 11.940 1.00 0.00 H new ATOM 0 HA LEU B 55 11.642 -9.597 13.651 1.00 0.00 H new ATOM 0 HB2 LEU B 55 10.375 -9.131 10.963 1.00 0.00 H new ATOM 0 HB3 LEU B 55 11.234 -10.652 11.105 1.00 0.00 H new ATOM 0 HG LEU B 55 9.619 -10.082 13.503 1.00 0.00 H new ATOM 0 HD11 LEU B 55 7.423 -10.440 12.405 1.00 0.00 H new ATOM 0 HD12 LEU B 55 8.184 -8.936 11.834 1.00 0.00 H new ATOM 0 HD13 LEU B 55 8.212 -10.392 10.811 1.00 0.00 H new ATOM 0 HD21 LEU B 55 8.844 -12.394 13.046 1.00 0.00 H new ATOM 0 HD22 LEU B 55 9.632 -12.343 11.451 1.00 0.00 H new ATOM 0 HD23 LEU B 55 10.616 -12.281 12.933 1.00 0.00 H new ATOM 1665 N ARG B 56 13.765 -8.603 11.440 1.00 0.00 N ATOM 1666 CA ARG B 56 15.165 -8.823 10.975 1.00 0.00 C ATOM 1667 C ARG B 56 16.076 -9.134 12.165 1.00 0.00 C ATOM 1668 O ARG B 56 16.796 -10.113 12.168 1.00 0.00 O ATOM 1669 CB ARG B 56 15.574 -7.504 10.316 1.00 0.00 C ATOM 1670 CG ARG B 56 17.010 -7.613 9.803 1.00 0.00 C ATOM 1671 CD ARG B 56 17.696 -6.249 9.912 1.00 0.00 C ATOM 1672 NE ARG B 56 19.139 -6.523 9.663 1.00 0.00 N ATOM 1673 CZ ARG B 56 19.630 -6.389 8.461 1.00 0.00 C ATOM 1674 NH1 ARG B 56 20.286 -5.307 8.142 1.00 0.00 N ATOM 1675 NH2 ARG B 56 19.466 -7.337 7.580 1.00 0.00 N ATOM 0 H ARG B 56 13.336 -7.731 11.130 1.00 0.00 H new ATOM 0 HA ARG B 56 15.245 -9.665 10.287 1.00 0.00 H new ATOM 0 HB2 ARG B 56 14.899 -7.272 9.492 1.00 0.00 H new ATOM 0 HB3 ARG B 56 15.494 -6.687 11.033 1.00 0.00 H new ATOM 0 HG2 ARG B 56 17.559 -8.355 10.382 1.00 0.00 H new ATOM 0 HG3 ARG B 56 17.013 -7.952 8.767 1.00 0.00 H new ATOM 0 HD2 ARG B 56 17.296 -5.546 9.181 1.00 0.00 H new ATOM 0 HD3 ARG B 56 17.542 -5.807 10.897 1.00 0.00 H new ATOM 0 HE ARG B 56 19.743 -6.815 10.431 1.00 0.00 H new ATOM 0 HH11 ARG B 56 20.415 -4.567 8.832 1.00 0.00 H new ATOM 0 HH12 ARG B 56 20.670 -5.202 7.203 1.00 0.00 H new ATOM 0 HH21 ARG B 56 18.954 -8.183 7.830 1.00 0.00 H new ATOM 0 HH22 ARG B 56 19.850 -7.232 6.641 1.00 0.00 H new ATOM 1689 N GLU B 57 16.051 -8.309 13.176 1.00 0.00 N ATOM 1690 CA GLU B 57 16.916 -8.561 14.364 1.00 0.00 C ATOM 1691 C GLU B 57 16.630 -9.951 14.938 1.00 0.00 C ATOM 1692 O GLU B 57 17.531 -10.692 15.273 1.00 0.00 O ATOM 1693 CB GLU B 57 16.532 -7.476 15.373 1.00 0.00 C ATOM 1694 CG GLU B 57 16.666 -6.098 14.723 1.00 0.00 C ATOM 1695 CD GLU B 57 16.909 -5.043 15.804 1.00 0.00 C ATOM 1696 OE1 GLU B 57 15.983 -4.759 16.546 1.00 0.00 O ATOM 1697 OE2 GLU B 57 18.017 -4.537 15.872 1.00 0.00 O ATOM 0 H GLU B 57 15.470 -7.472 13.231 1.00 0.00 H new ATOM 0 HA GLU B 57 17.977 -8.530 14.117 1.00 0.00 H new ATOM 0 HB2 GLU B 57 15.509 -7.630 15.715 1.00 0.00 H new ATOM 0 HB3 GLU B 57 17.174 -7.539 16.251 1.00 0.00 H new ATOM 0 HG2 GLU B 57 17.490 -6.100 14.010 1.00 0.00 H new ATOM 0 HG3 GLU B 57 15.761 -5.859 14.164 1.00 0.00 H new ATOM 1704 N LEU B 58 15.380 -10.307 15.052 1.00 0.00 N ATOM 1705 CA LEU B 58 15.033 -11.649 15.603 1.00 0.00 C ATOM 1706 C LEU B 58 15.774 -12.745 14.832 1.00 0.00 C ATOM 1707 O LEU B 58 15.978 -13.835 15.327 1.00 0.00 O ATOM 1708 CB LEU B 58 13.523 -11.781 15.406 1.00 0.00 C ATOM 1709 CG LEU B 58 12.861 -12.112 16.745 1.00 0.00 C ATOM 1710 CD1 LEU B 58 11.534 -11.357 16.860 1.00 0.00 C ATOM 1711 CD2 LEU B 58 12.597 -13.618 16.824 1.00 0.00 C ATOM 0 H LEU B 58 14.583 -9.727 14.788 1.00 0.00 H new ATOM 0 HA LEU B 58 15.317 -11.751 16.650 1.00 0.00 H new ATOM 0 HB2 LEU B 58 13.115 -10.853 15.006 1.00 0.00 H new ATOM 0 HB3 LEU B 58 13.307 -12.563 14.678 1.00 0.00 H new ATOM 0 HG LEU B 58 13.521 -11.814 17.560 1.00 0.00 H new ATOM 0 HD11 LEU B 58 11.063 -11.593 17.814 1.00 0.00 H new ATOM 0 HD12 LEU B 58 11.719 -10.284 16.802 1.00 0.00 H new ATOM 0 HD13 LEU B 58 10.874 -11.655 16.046 1.00 0.00 H new ATOM 0 HD21 LEU B 58 12.125 -13.855 17.778 1.00 0.00 H new ATOM 0 HD22 LEU B 58 11.937 -13.915 16.009 1.00 0.00 H new ATOM 0 HD23 LEU B 58 13.540 -14.158 16.742 1.00 0.00 H new ATOM 1723 N PHE B 59 16.176 -12.464 13.622 1.00 0.00 N ATOM 1724 CA PHE B 59 16.901 -13.491 12.819 1.00 0.00 C ATOM 1725 C PHE B 59 18.088 -14.044 13.614 1.00 0.00 C ATOM 1726 O PHE B 59 18.380 -15.223 13.573 1.00 0.00 O ATOM 1727 CB PHE B 59 17.389 -12.749 11.574 1.00 0.00 C ATOM 1728 CG PHE B 59 18.152 -13.701 10.686 1.00 0.00 C ATOM 1729 CD1 PHE B 59 17.464 -14.470 9.720 1.00 0.00 C ATOM 1730 CD2 PHE B 59 19.553 -13.825 10.820 1.00 0.00 C ATOM 1731 CE1 PHE B 59 18.178 -15.361 8.887 1.00 0.00 C ATOM 1732 CE2 PHE B 59 20.267 -14.716 9.989 1.00 0.00 C ATOM 1733 CZ PHE B 59 19.578 -15.485 9.022 1.00 0.00 C ATOM 0 H PHE B 59 16.034 -11.568 13.155 1.00 0.00 H new ATOM 0 HA PHE B 59 16.266 -14.340 12.565 1.00 0.00 H new ATOM 0 HB2 PHE B 59 16.541 -12.330 11.032 1.00 0.00 H new ATOM 0 HB3 PHE B 59 18.027 -11.914 11.862 1.00 0.00 H new ATOM 0 HD1 PHE B 59 16.393 -14.377 9.618 1.00 0.00 H new ATOM 0 HD2 PHE B 59 20.078 -13.238 11.559 1.00 0.00 H new ATOM 0 HE1 PHE B 59 17.653 -15.947 8.147 1.00 0.00 H new ATOM 0 HE2 PHE B 59 21.338 -14.810 10.092 1.00 0.00 H new ATOM 0 HZ PHE B 59 20.123 -16.167 8.387 1.00 0.00 H new ATOM 1743 N ILE B 60 18.773 -13.202 14.337 1.00 0.00 N ATOM 1744 CA ILE B 60 19.940 -13.681 15.135 1.00 0.00 C ATOM 1745 C ILE B 60 19.458 -14.508 16.329 1.00 0.00 C ATOM 1746 O ILE B 60 20.081 -15.478 16.715 1.00 0.00 O ATOM 1747 CB ILE B 60 20.643 -12.410 15.609 1.00 0.00 C ATOM 1748 CG1 ILE B 60 21.158 -11.629 14.399 1.00 0.00 C ATOM 1749 CG2 ILE B 60 21.821 -12.784 16.511 1.00 0.00 C ATOM 1750 CD1 ILE B 60 21.239 -10.141 14.746 1.00 0.00 C ATOM 0 H ILE B 60 18.577 -12.204 14.411 1.00 0.00 H new ATOM 0 HA ILE B 60 20.605 -14.321 14.554 1.00 0.00 H new ATOM 0 HB ILE B 60 19.938 -11.793 16.167 1.00 0.00 H new ATOM 0 HG12 ILE B 60 22.141 -11.999 14.106 1.00 0.00 H new ATOM 0 HG13 ILE B 60 20.494 -11.779 13.547 1.00 0.00 H new ATOM 0 HG21 ILE B 60 22.323 -11.877 16.849 1.00 0.00 H new ATOM 0 HG22 ILE B 60 21.456 -13.340 17.374 1.00 0.00 H new ATOM 0 HG23 ILE B 60 22.525 -13.401 15.953 1.00 0.00 H new ATOM 0 HD11 ILE B 60 21.606 -9.586 13.883 1.00 0.00 H new ATOM 0 HD12 ILE B 60 20.248 -9.776 15.018 1.00 0.00 H new ATOM 0 HD13 ILE B 60 21.920 -10.000 15.585 1.00 0.00 H new ATOM 1762 N ALA B 61 18.355 -14.133 16.916 1.00 0.00 N ATOM 1763 CA ALA B 61 17.835 -14.899 18.085 1.00 0.00 C ATOM 1764 C ALA B 61 17.473 -16.325 17.663 1.00 0.00 C ATOM 1765 O ALA B 61 17.407 -17.226 18.477 1.00 0.00 O ATOM 1766 CB ALA B 61 16.587 -14.138 18.533 1.00 0.00 C ATOM 0 H ALA B 61 17.791 -13.330 16.637 1.00 0.00 H new ATOM 0 HA ALA B 61 18.570 -14.982 18.885 1.00 0.00 H new ATOM 0 HB1 ALA B 61 16.144 -14.640 19.393 1.00 0.00 H new ATOM 0 HB2 ALA B 61 16.861 -13.120 18.809 1.00 0.00 H new ATOM 0 HB3 ALA B 61 15.865 -14.111 17.717 1.00 0.00 H new ATOM 1772 N ALA B 62 17.236 -16.539 16.397 1.00 0.00 N ATOM 1773 CA ALA B 62 16.878 -17.907 15.925 1.00 0.00 C ATOM 1774 C ALA B 62 18.103 -18.592 15.313 1.00 0.00 C ATOM 1775 O ALA B 62 18.606 -19.566 15.835 1.00 0.00 O ATOM 1776 CB ALA B 62 15.798 -17.690 14.864 1.00 0.00 C ATOM 0 H ALA B 62 17.275 -15.825 15.669 1.00 0.00 H new ATOM 0 HA ALA B 62 16.529 -18.546 16.736 1.00 0.00 H new ATOM 0 HB1 ALA B 62 15.480 -18.654 14.466 1.00 0.00 H new ATOM 0 HB2 ALA B 62 14.944 -17.183 15.313 1.00 0.00 H new ATOM 0 HB3 ALA B 62 16.199 -17.078 14.056 1.00 0.00 H new ATOM 1782 N SER B 63 18.584 -18.090 14.209 1.00 0.00 N ATOM 1783 CA SER B 63 19.776 -18.714 13.565 1.00 0.00 C ATOM 1784 C SER B 63 21.058 -18.250 14.262 1.00 0.00 C ATOM 1785 O SER B 63 22.109 -18.781 13.942 1.00 0.00 O ATOM 1786 CB SER B 63 19.746 -18.224 12.118 1.00 0.00 C ATOM 1787 OG SER B 63 20.133 -16.858 12.077 1.00 0.00 O ATOM 1788 OXT SER B 63 20.966 -17.371 15.103 1.00 0.00 O ATOM 0 H SER B 63 18.205 -17.276 13.725 1.00 0.00 H new ATOM 0 HA SER B 63 19.757 -19.802 13.628 1.00 0.00 H new ATOM 0 HB2 SER B 63 20.419 -18.823 11.505 1.00 0.00 H new ATOM 0 HB3 SER B 63 18.745 -18.343 11.702 1.00 0.00 H new ATOM 0 HG SER B 63 20.005 -16.509 11.170 1.00 0.00 H new TER 1794 SER B 63