USER MOD reduce.3.24.130724 H: found=0, std=0, add=807, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 803 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 2 GLN : amide:sc= 0.577 K(o=1.2,f=0.65) USER MOD Set 1.2: A 86 THR OG1 : rot 81:sc= 0.634 USER MOD Set 2.1: A 52 SER OG : rot 17:sc= 0.769 USER MOD Set 2.2: A 67 TYR OH : rot 130:sc= 0.7 USER MOD Set 3.1: A 41 LYS NZ :NH3+ 178:sc= 0.6 (180deg=0.229) USER MOD Set 3.2: A 78 TYR OH : rot 31:sc= 0.915 USER MOD Set 4.1: A 10 TYR OH : rot 180:sc= 0 USER MOD Set 4.2: A 24 ASN : amide:sc= -1.96! K(o=-2!,f=-0.018) USER MOD Set 5.1: A 20 SER OG : rot 180:sc= 0 USER MOD Set 5.2: A 71 THR OG1 : rot 180:sc= 0 USER MOD Set 6.1: A 6 LYS NZ :NH3+ -140:sc= 1.12 (180deg=-0.133) USER MOD Set 6.2: A 8 GLN : amide:sc= 0.699 K(o=1.9,f=-5.8) USER MOD Set 6.3: A 28 SER OG : rot 180:sc= 0.0373 USER MOD Single : A 0 MET CE :methyl -176:sc= 0 (180deg=-0.0213) USER MOD Single : A 0 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0.0562 USER MOD Single : A 11 SER OG : rot -77:sc= 0.94 USER MOD Single : A 13 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 17 ASN : amide:sc=0.000796 K(o=0.0008,f=-0.51) USER MOD Single : A 19 LYS NZ :NH3+ -109:sc= 0.595 (180deg=0) USER MOD Single : A 21 ASN : amide:sc= 0.00753 K(o=0.0075,f=-3.1!) USER MOD Single : A 26 TYR OH : rot 22:sc= 0.0985 USER MOD Single : A 31 HIS : no HD1:sc= -0.752 X(o=-0.75,f=-1) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 42 ASN : amide:sc= -1.18 K(o=-1.2,f=-0.22) USER MOD Single : A 48 LYS NZ :NH3+ 169:sc= 0.748 (180deg=0.369) USER MOD Single : A 51 HIS : no HD1:sc=-0.00432 X(o=-0.0043,f=0) USER MOD Single : A 55 SER OG : rot -108:sc= 0.0289 USER MOD Single : A 57 SER OG : rot 110:sc= 1.19 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 SER OG : rot 180:sc= 0.152 USER MOD Single : A 63 TYR OH : rot 165:sc= -0.0169 USER MOD Single : A 66 TYR OH : rot 30:sc= -1.24! USER MOD Single : A 68 THR OG1 : rot 76:sc= 0.857 USER MOD Single : A 73 THR OG1 : rot 180:sc= 0.0172 USER MOD Single : A 75 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0406) USER MOD Single : A 83 ASN : amide:sc= 0.439 K(o=0.44,f=-6.9!) USER MOD Single : A 84 HIS : no HD1:sc= -0.327 K(o=-0.33,f=-7.3!) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 89 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ -175:sc= 1.79 (180deg=1.72) USER MOD Single : A 99 MET CE :methyl 175:sc= 0 (180deg=-0.0452) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 0 -7.847 -20.376 -4.015 1.00 0.00 N ATOM 2 CA MET A 0 -7.127 -21.659 -3.922 1.00 0.00 C ATOM 3 C MET A 0 -6.026 -21.592 -2.853 1.00 0.00 C ATOM 4 O MET A 0 -6.300 -21.106 -1.757 1.00 0.00 O ATOM 5 CB MET A 0 -6.669 -22.144 -5.309 1.00 0.00 C ATOM 6 CG MET A 0 -5.810 -21.133 -6.080 1.00 0.00 C ATOM 7 SD MET A 0 -5.127 -21.803 -7.619 1.00 0.00 S ATOM 8 CE MET A 0 -4.394 -20.304 -8.322 1.00 0.00 C ATOM 0 H1 MET A 0 -8.586 -20.445 -4.743 1.00 0.00 H new ATOM 0 H2 MET A 0 -8.285 -20.156 -3.097 1.00 0.00 H new ATOM 0 H3 MET A 0 -7.179 -19.621 -4.270 1.00 0.00 H new ATOM 0 HA MET A 0 -7.809 -22.435 -3.574 1.00 0.00 H new ATOM 0 HB2 MET A 0 -6.103 -23.068 -5.189 1.00 0.00 H new ATOM 0 HB3 MET A 0 -7.549 -22.385 -5.905 1.00 0.00 H new ATOM 0 HG2 MET A 0 -6.413 -20.254 -6.310 1.00 0.00 H new ATOM 0 HG3 MET A 0 -4.992 -20.800 -5.442 1.00 0.00 H new ATOM 0 HE1 MET A 0 -3.990 -20.525 -9.310 1.00 0.00 H new ATOM 0 HE2 MET A 0 -5.158 -19.531 -8.407 1.00 0.00 H new ATOM 0 HE3 MET A 0 -3.592 -19.952 -7.673 1.00 0.00 H new ATOM 20 N ILE A 1 -4.804 -22.063 -3.143 1.00 0.00 N ATOM 21 CA ILE A 1 -3.699 -22.081 -2.187 1.00 0.00 C ATOM 22 C ILE A 1 -3.319 -20.664 -1.756 1.00 0.00 C ATOM 23 O ILE A 1 -3.055 -20.400 -0.584 1.00 0.00 O ATOM 24 CB ILE A 1 -2.481 -22.847 -2.739 1.00 0.00 C ATOM 25 CG1 ILE A 1 -2.848 -24.244 -3.277 1.00 0.00 C ATOM 26 CG2 ILE A 1 -1.424 -23.023 -1.637 1.00 0.00 C ATOM 27 CD1 ILE A 1 -2.907 -24.272 -4.806 1.00 0.00 C ATOM 0 H ILE A 1 -4.558 -22.444 -4.057 1.00 0.00 H new ATOM 0 HA ILE A 1 -4.042 -22.617 -1.302 1.00 0.00 H new ATOM 0 HB ILE A 1 -2.093 -22.251 -3.565 1.00 0.00 H new ATOM 0 HG12 ILE A 1 -2.114 -24.971 -2.929 1.00 0.00 H new ATOM 0 HG13 ILE A 1 -3.813 -24.547 -2.871 1.00 0.00 H new ATOM 0 HG21 ILE A 1 -0.568 -23.565 -2.038 1.00 0.00 H new ATOM 0 HG22 ILE A 1 -1.100 -22.044 -1.284 1.00 0.00 H new ATOM 0 HG23 ILE A 1 -1.853 -23.585 -0.807 1.00 0.00 H new ATOM 0 HD11 ILE A 1 -3.169 -25.275 -5.142 1.00 0.00 H new ATOM 0 HD12 ILE A 1 -3.660 -23.565 -5.154 1.00 0.00 H new ATOM 0 HD13 ILE A 1 -1.934 -23.996 -5.213 1.00 0.00 H new ATOM 39 N GLN A 2 -3.296 -19.783 -2.753 1.00 0.00 N ATOM 40 CA GLN A 2 -2.915 -18.378 -2.701 1.00 0.00 C ATOM 41 C GLN A 2 -3.506 -17.681 -1.474 1.00 0.00 C ATOM 42 O GLN A 2 -4.727 -17.561 -1.370 1.00 0.00 O ATOM 43 CB GLN A 2 -3.394 -17.665 -3.973 1.00 0.00 C ATOM 44 CG GLN A 2 -2.775 -18.237 -5.257 1.00 0.00 C ATOM 45 CD GLN A 2 -3.102 -17.388 -6.484 1.00 0.00 C ATOM 46 OE1 GLN A 2 -4.225 -16.914 -6.635 1.00 0.00 O ATOM 47 NE2 GLN A 2 -2.127 -17.211 -7.377 1.00 0.00 N ATOM 0 H GLN A 2 -3.567 -20.059 -3.697 1.00 0.00 H new ATOM 0 HA GLN A 2 -1.828 -18.328 -2.630 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -4.480 -17.739 -4.036 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -3.151 -16.605 -3.901 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -1.693 -18.301 -5.139 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -3.139 -19.253 -5.413 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -1.207 -17.621 -7.216 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -2.301 -16.666 -8.221 1.00 0.00 H new ATOM 56 N ARG A 3 -2.649 -17.220 -0.553 1.00 0.00 N ATOM 57 CA ARG A 3 -3.105 -16.520 0.640 1.00 0.00 C ATOM 58 C ARG A 3 -3.547 -15.096 0.305 1.00 0.00 C ATOM 59 O ARG A 3 -3.065 -14.484 -0.648 1.00 0.00 O ATOM 60 CB ARG A 3 -2.027 -16.519 1.736 1.00 0.00 C ATOM 61 CG ARG A 3 -2.312 -17.548 2.836 1.00 0.00 C ATOM 62 CD ARG A 3 -3.464 -17.077 3.737 1.00 0.00 C ATOM 63 NE ARG A 3 -3.739 -18.043 4.807 1.00 0.00 N ATOM 64 CZ ARG A 3 -4.806 -17.993 5.623 1.00 0.00 C ATOM 65 NH1 ARG A 3 -5.700 -16.997 5.526 1.00 0.00 N ATOM 66 NH2 ARG A 3 -4.980 -18.950 6.543 1.00 0.00 N ATOM 0 H ARG A 3 -1.636 -17.323 -0.618 1.00 0.00 H new ATOM 0 HA ARG A 3 -3.970 -17.059 1.028 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -1.056 -16.730 1.287 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -1.964 -15.525 2.179 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -2.565 -18.508 2.386 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -1.415 -17.704 3.436 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -3.214 -16.110 4.174 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -4.362 -16.933 3.136 1.00 0.00 H new ATOM 0 HE ARG A 3 -3.074 -18.805 4.941 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -5.574 -16.265 4.826 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -6.505 -16.972 6.152 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -4.305 -19.711 6.621 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -5.787 -18.918 7.165 1.00 0.00 H new ATOM 80 N THR A 4 -4.475 -14.583 1.119 1.00 0.00 N ATOM 81 CA THR A 4 -5.082 -13.277 0.980 1.00 0.00 C ATOM 82 C THR A 4 -4.197 -12.211 1.640 1.00 0.00 C ATOM 83 O THR A 4 -3.576 -12.488 2.667 1.00 0.00 O ATOM 84 CB THR A 4 -6.458 -13.330 1.655 1.00 0.00 C ATOM 85 OG1 THR A 4 -6.330 -13.832 2.972 1.00 0.00 O ATOM 86 CG2 THR A 4 -7.430 -14.218 0.870 1.00 0.00 C ATOM 0 H THR A 4 -4.832 -15.098 1.924 1.00 0.00 H new ATOM 0 HA THR A 4 -5.190 -13.013 -0.072 1.00 0.00 H new ATOM 0 HB THR A 4 -6.857 -12.316 1.679 1.00 0.00 H new ATOM 0 HG1 THR A 4 -7.212 -13.862 3.398 1.00 0.00 H new ATOM 0 HG21 THR A 4 -8.396 -14.235 1.375 1.00 0.00 H new ATOM 0 HG22 THR A 4 -7.553 -13.820 -0.137 1.00 0.00 H new ATOM 0 HG23 THR A 4 -7.033 -15.231 0.814 1.00 0.00 H new ATOM 94 N PRO A 5 -4.140 -10.991 1.082 1.00 0.00 N ATOM 95 CA PRO A 5 -3.336 -9.899 1.604 1.00 0.00 C ATOM 96 C PRO A 5 -3.958 -9.274 2.857 1.00 0.00 C ATOM 97 O PRO A 5 -5.068 -8.747 2.808 1.00 0.00 O ATOM 98 CB PRO A 5 -3.252 -8.885 0.461 1.00 0.00 C ATOM 99 CG PRO A 5 -4.540 -9.109 -0.322 1.00 0.00 C ATOM 100 CD PRO A 5 -4.776 -10.610 -0.167 1.00 0.00 C ATOM 0 HA PRO A 5 -2.352 -10.246 1.918 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -3.185 -7.864 0.837 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -2.372 -9.055 -0.160 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -5.366 -8.526 0.084 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -4.432 -8.823 -1.368 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -5.842 -10.837 -0.147 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -4.349 -11.160 -1.005 1.00 0.00 H new ATOM 108 N LYS A 6 -3.204 -9.284 3.962 1.00 0.00 N ATOM 109 CA LYS A 6 -3.435 -8.444 5.123 1.00 0.00 C ATOM 110 C LYS A 6 -2.866 -7.056 4.808 1.00 0.00 C ATOM 111 O LYS A 6 -1.650 -6.888 4.734 1.00 0.00 O ATOM 112 CB LYS A 6 -2.748 -9.060 6.350 1.00 0.00 C ATOM 113 CG LYS A 6 -3.197 -8.335 7.622 1.00 0.00 C ATOM 114 CD LYS A 6 -2.197 -8.569 8.760 1.00 0.00 C ATOM 115 CE LYS A 6 -2.640 -7.894 10.064 1.00 0.00 C ATOM 116 NZ LYS A 6 -2.800 -6.436 9.912 1.00 0.00 N ATOM 0 H LYS A 6 -2.396 -9.897 4.067 1.00 0.00 H new ATOM 0 HA LYS A 6 -4.499 -8.363 5.347 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -2.993 -10.120 6.420 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -1.665 -8.989 6.244 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -3.288 -7.267 7.425 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -4.184 -8.689 7.920 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -2.083 -9.640 8.927 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -1.219 -8.186 8.468 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -3.584 -8.329 10.393 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -1.906 -8.098 10.844 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -2.435 -5.956 10.760 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -2.270 -6.114 9.077 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -3.808 -6.208 9.792 1.00 0.00 H new ATOM 130 N ILE A 7 -3.755 -6.080 4.601 1.00 0.00 N ATOM 131 CA ILE A 7 -3.425 -4.724 4.180 1.00 0.00 C ATOM 132 C ILE A 7 -3.418 -3.810 5.410 1.00 0.00 C ATOM 133 O ILE A 7 -4.420 -3.758 6.123 1.00 0.00 O ATOM 134 CB ILE A 7 -4.469 -4.262 3.142 1.00 0.00 C ATOM 135 CG1 ILE A 7 -4.497 -5.180 1.903 1.00 0.00 C ATOM 136 CG2 ILE A 7 -4.178 -2.820 2.711 1.00 0.00 C ATOM 137 CD1 ILE A 7 -5.808 -5.066 1.116 1.00 0.00 C ATOM 0 H ILE A 7 -4.757 -6.222 4.727 1.00 0.00 H new ATOM 0 HA ILE A 7 -2.438 -4.686 3.720 1.00 0.00 H new ATOM 0 HB ILE A 7 -5.448 -4.315 3.617 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -3.662 -4.928 1.249 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -4.355 -6.214 2.218 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -4.920 -2.503 1.978 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -4.223 -2.164 3.581 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -3.184 -2.766 2.267 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -5.774 -5.733 0.254 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -6.643 -5.345 1.758 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -5.940 -4.039 0.775 1.00 0.00 H new ATOM 149 N GLN A 8 -2.323 -3.073 5.653 1.00 0.00 N ATOM 150 CA GLN A 8 -2.242 -2.048 6.673 1.00 0.00 C ATOM 151 C GLN A 8 -1.625 -0.786 6.053 1.00 0.00 C ATOM 152 O GLN A 8 -0.473 -0.804 5.623 1.00 0.00 O ATOM 153 CB GLN A 8 -1.457 -2.577 7.880 1.00 0.00 C ATOM 154 CG GLN A 8 -0.186 -3.388 7.578 1.00 0.00 C ATOM 155 CD GLN A 8 -0.429 -4.850 7.195 1.00 0.00 C ATOM 156 OE1 GLN A 8 -1.400 -5.463 7.630 1.00 0.00 O ATOM 157 NE2 GLN A 8 0.474 -5.421 6.395 1.00 0.00 N ATOM 0 H GLN A 8 -1.456 -3.186 5.127 1.00 0.00 H new ATOM 0 HA GLN A 8 -3.232 -1.782 7.044 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -1.178 -1.727 8.503 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -2.125 -3.201 8.473 1.00 0.00 H new ATOM 0 HG2 GLN A 8 0.354 -2.900 6.767 1.00 0.00 H new ATOM 0 HG3 GLN A 8 0.462 -3.360 8.454 1.00 0.00 H new ATOM 0 HE21 GLN A 8 1.268 -4.879 6.053 1.00 0.00 H new ATOM 0 HE22 GLN A 8 0.370 -6.399 6.125 1.00 0.00 H new ATOM 166 N VAL A 9 -2.410 0.298 5.977 1.00 0.00 N ATOM 167 CA VAL A 9 -2.031 1.551 5.333 1.00 0.00 C ATOM 168 C VAL A 9 -1.864 2.628 6.400 1.00 0.00 C ATOM 169 O VAL A 9 -2.856 3.193 6.849 1.00 0.00 O ATOM 170 CB VAL A 9 -3.099 1.963 4.307 1.00 0.00 C ATOM 171 CG1 VAL A 9 -2.687 3.279 3.639 1.00 0.00 C ATOM 172 CG2 VAL A 9 -3.287 0.882 3.239 1.00 0.00 C ATOM 0 H VAL A 9 -3.349 0.322 6.374 1.00 0.00 H new ATOM 0 HA VAL A 9 -1.087 1.422 4.804 1.00 0.00 H new ATOM 0 HB VAL A 9 -4.046 2.093 4.832 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -3.445 3.571 2.912 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -2.592 4.057 4.396 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -1.731 3.147 3.133 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -4.048 1.202 2.528 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -2.345 0.721 2.714 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -3.601 -0.048 3.714 1.00 0.00 H new ATOM 182 N TYR A 10 -0.618 2.908 6.798 1.00 0.00 N ATOM 183 CA TYR A 10 -0.322 3.786 7.928 1.00 0.00 C ATOM 184 C TYR A 10 0.519 4.988 7.506 1.00 0.00 C ATOM 185 O TYR A 10 1.309 4.898 6.568 1.00 0.00 O ATOM 186 CB TYR A 10 0.377 2.988 9.035 1.00 0.00 C ATOM 187 CG TYR A 10 1.661 2.294 8.629 1.00 0.00 C ATOM 188 CD1 TYR A 10 1.613 0.973 8.151 1.00 0.00 C ATOM 189 CD2 TYR A 10 2.903 2.930 8.811 1.00 0.00 C ATOM 190 CE1 TYR A 10 2.804 0.285 7.867 1.00 0.00 C ATOM 191 CE2 TYR A 10 4.092 2.246 8.506 1.00 0.00 C ATOM 192 CZ TYR A 10 4.042 0.929 8.021 1.00 0.00 C ATOM 193 OH TYR A 10 5.191 0.274 7.697 1.00 0.00 O ATOM 0 H TYR A 10 0.213 2.530 6.343 1.00 0.00 H new ATOM 0 HA TYR A 10 -1.264 4.177 8.312 1.00 0.00 H new ATOM 0 HB2 TYR A 10 0.596 3.663 9.862 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -0.318 2.237 9.411 1.00 0.00 H new ATOM 0 HD1 TYR A 10 0.660 0.487 8.002 1.00 0.00 H new ATOM 0 HD2 TYR A 10 2.942 3.943 9.185 1.00 0.00 H new ATOM 0 HE1 TYR A 10 2.767 -0.740 7.530 1.00 0.00 H new ATOM 0 HE2 TYR A 10 5.046 2.734 8.645 1.00 0.00 H new ATOM 0 HH TYR A 10 5.959 0.860 7.861 1.00 0.00 H new ATOM 203 N SER A 11 0.372 6.101 8.235 1.00 0.00 N ATOM 204 CA SER A 11 1.248 7.257 8.101 1.00 0.00 C ATOM 205 C SER A 11 2.506 7.046 8.952 1.00 0.00 C ATOM 206 O SER A 11 2.432 6.439 10.019 1.00 0.00 O ATOM 207 CB SER A 11 0.515 8.542 8.494 1.00 0.00 C ATOM 208 OG SER A 11 0.099 8.521 9.843 1.00 0.00 O ATOM 0 H SER A 11 -0.361 6.219 8.934 1.00 0.00 H new ATOM 0 HA SER A 11 1.548 7.363 7.058 1.00 0.00 H new ATOM 0 HB2 SER A 11 1.170 9.398 8.330 1.00 0.00 H new ATOM 0 HB3 SER A 11 -0.353 8.676 7.849 1.00 0.00 H new ATOM 0 HG SER A 11 -0.700 7.960 9.930 1.00 0.00 H new ATOM 214 N ARG A 12 3.660 7.535 8.480 1.00 0.00 N ATOM 215 CA ARG A 12 4.931 7.411 9.183 1.00 0.00 C ATOM 216 C ARG A 12 5.058 8.551 10.196 1.00 0.00 C ATOM 217 O ARG A 12 5.032 8.312 11.402 1.00 0.00 O ATOM 218 CB ARG A 12 6.100 7.376 8.184 1.00 0.00 C ATOM 219 CG ARG A 12 7.272 6.563 8.748 1.00 0.00 C ATOM 220 CD ARG A 12 7.079 5.079 8.416 1.00 0.00 C ATOM 221 NE ARG A 12 7.911 4.207 9.254 1.00 0.00 N ATOM 222 CZ ARG A 12 7.554 3.704 10.449 1.00 0.00 C ATOM 223 NH1 ARG A 12 6.385 4.030 11.018 1.00 0.00 N ATOM 224 NH2 ARG A 12 8.381 2.860 11.081 1.00 0.00 N ATOM 0 H ARG A 12 3.732 8.031 7.592 1.00 0.00 H new ATOM 0 HA ARG A 12 4.965 6.469 9.731 1.00 0.00 H new ATOM 0 HB2 ARG A 12 5.767 6.939 7.243 1.00 0.00 H new ATOM 0 HB3 ARG A 12 6.428 8.392 7.965 1.00 0.00 H new ATOM 0 HG2 ARG A 12 8.211 6.921 8.326 1.00 0.00 H new ATOM 0 HG3 ARG A 12 7.335 6.699 9.828 1.00 0.00 H new ATOM 0 HD2 ARG A 12 6.030 4.813 8.548 1.00 0.00 H new ATOM 0 HD3 ARG A 12 7.321 4.909 7.367 1.00 0.00 H new ATOM 0 HE ARG A 12 8.836 3.962 8.901 1.00 0.00 H new ATOM 0 HH11 ARG A 12 5.748 4.670 10.544 1.00 0.00 H new ATOM 0 HH12 ARG A 12 6.132 3.638 11.925 1.00 0.00 H new ATOM 0 HH21 ARG A 12 9.272 2.605 10.655 1.00 0.00 H new ATOM 0 HH22 ARG A 12 8.119 2.473 11.988 1.00 0.00 H new ATOM 238 N HIS A 13 5.148 9.790 9.696 1.00 0.00 N ATOM 239 CA HIS A 13 4.947 11.002 10.481 1.00 0.00 C ATOM 240 C HIS A 13 3.432 11.222 10.591 1.00 0.00 C ATOM 241 O HIS A 13 2.698 10.716 9.745 1.00 0.00 O ATOM 242 CB HIS A 13 5.642 12.173 9.781 1.00 0.00 C ATOM 243 CG HIS A 13 7.132 12.008 9.650 1.00 0.00 C ATOM 244 ND1 HIS A 13 7.959 11.891 10.766 1.00 0.00 N ATOM 245 CD2 HIS A 13 7.901 11.960 8.518 1.00 0.00 C ATOM 246 CE1 HIS A 13 9.191 11.771 10.265 1.00 0.00 C ATOM 247 NE2 HIS A 13 9.211 11.807 8.922 1.00 0.00 N ATOM 0 H HIS A 13 5.367 9.975 8.717 1.00 0.00 H new ATOM 0 HA HIS A 13 5.374 10.919 11.480 1.00 0.00 H new ATOM 0 HB2 HIS A 13 5.211 12.297 8.787 1.00 0.00 H new ATOM 0 HB3 HIS A 13 5.435 13.089 10.335 1.00 0.00 H new ATOM 0 HD2 HIS A 13 7.548 12.029 7.500 1.00 0.00 H new ATOM 0 HE1 HIS A 13 10.076 11.657 10.874 1.00 0.00 H new ATOM 0 HE2 HIS A 13 10.032 11.735 8.321 1.00 0.00 H new ATOM 255 N PRO A 14 2.929 11.937 11.611 1.00 0.00 N ATOM 256 CA PRO A 14 1.499 12.013 11.893 1.00 0.00 C ATOM 257 C PRO A 14 0.803 13.068 11.018 1.00 0.00 C ATOM 258 O PRO A 14 0.106 13.943 11.530 1.00 0.00 O ATOM 259 CB PRO A 14 1.429 12.332 13.391 1.00 0.00 C ATOM 260 CG PRO A 14 2.654 13.222 13.594 1.00 0.00 C ATOM 261 CD PRO A 14 3.691 12.570 12.676 1.00 0.00 C ATOM 0 HA PRO A 14 0.971 11.089 11.658 1.00 0.00 H new ATOM 0 HB2 PRO A 14 0.505 12.847 13.654 1.00 0.00 H new ATOM 0 HB3 PRO A 14 1.476 11.430 14.001 1.00 0.00 H new ATOM 0 HG2 PRO A 14 2.456 14.256 13.313 1.00 0.00 H new ATOM 0 HG3 PRO A 14 2.981 13.232 14.634 1.00 0.00 H new ATOM 0 HD2 PRO A 14 4.382 13.312 12.276 1.00 0.00 H new ATOM 0 HD3 PRO A 14 4.289 11.838 13.218 1.00 0.00 H new ATOM 269 N ALA A 15 0.983 12.971 9.694 1.00 0.00 N ATOM 270 CA ALA A 15 0.405 13.860 8.693 1.00 0.00 C ATOM 271 C ALA A 15 0.818 15.324 8.896 1.00 0.00 C ATOM 272 O ALA A 15 1.667 15.628 9.733 1.00 0.00 O ATOM 273 CB ALA A 15 -1.112 13.648 8.613 1.00 0.00 C ATOM 0 H ALA A 15 1.560 12.239 9.280 1.00 0.00 H new ATOM 0 HA ALA A 15 0.816 13.598 7.718 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -1.534 14.317 7.863 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -1.321 12.615 8.337 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -1.561 13.862 9.583 1.00 0.00 H new ATOM 279 N GLU A 16 0.256 16.224 8.082 1.00 0.00 N ATOM 280 CA GLU A 16 0.608 17.638 8.048 1.00 0.00 C ATOM 281 C GLU A 16 -0.452 18.377 7.220 1.00 0.00 C ATOM 282 O GLU A 16 -1.535 17.840 6.990 1.00 0.00 O ATOM 283 CB GLU A 16 2.040 17.791 7.487 1.00 0.00 C ATOM 284 CG GLU A 16 2.983 18.459 8.499 1.00 0.00 C ATOM 285 CD GLU A 16 2.607 19.909 8.799 1.00 0.00 C ATOM 286 OE1 GLU A 16 2.267 20.626 7.833 1.00 0.00 O ATOM 287 OE2 GLU A 16 2.671 20.276 9.992 1.00 0.00 O ATOM 0 H GLU A 16 -0.474 15.978 7.414 1.00 0.00 H new ATOM 0 HA GLU A 16 0.614 18.080 9.045 1.00 0.00 H new ATOM 0 HB2 GLU A 16 2.432 16.810 7.219 1.00 0.00 H new ATOM 0 HB3 GLU A 16 2.010 18.383 6.572 1.00 0.00 H new ATOM 0 HG2 GLU A 16 2.974 17.888 9.427 1.00 0.00 H new ATOM 0 HG3 GLU A 16 4.002 18.426 8.114 1.00 0.00 H new ATOM 294 N ASN A 17 -0.137 19.594 6.760 1.00 0.00 N ATOM 295 CA ASN A 17 -0.926 20.332 5.785 1.00 0.00 C ATOM 296 C ASN A 17 0.028 20.982 4.780 1.00 0.00 C ATOM 297 O ASN A 17 0.606 22.028 5.068 1.00 0.00 O ATOM 298 CB ASN A 17 -1.817 21.365 6.489 1.00 0.00 C ATOM 299 CG ASN A 17 -2.747 22.060 5.496 1.00 0.00 C ATOM 300 OD1 ASN A 17 -3.940 21.769 5.453 1.00 0.00 O ATOM 301 ND2 ASN A 17 -2.203 22.969 4.686 1.00 0.00 N ATOM 0 H ASN A 17 0.695 20.099 7.067 1.00 0.00 H new ATOM 0 HA ASN A 17 -1.593 19.659 5.247 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -2.408 20.873 7.262 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -1.194 22.107 6.988 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -2.782 23.451 3.999 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -1.208 23.182 4.754 1.00 0.00 H new ATOM 308 N GLY A 18 0.187 20.373 3.598 1.00 0.00 N ATOM 309 CA GLY A 18 0.981 20.932 2.511 1.00 0.00 C ATOM 310 C GLY A 18 2.485 20.671 2.651 1.00 0.00 C ATOM 311 O GLY A 18 3.222 20.846 1.683 1.00 0.00 O ATOM 0 H GLY A 18 -0.237 19.473 3.374 1.00 0.00 H new ATOM 0 HA2 GLY A 18 0.635 20.513 1.566 1.00 0.00 H new ATOM 0 HA3 GLY A 18 0.810 22.008 2.464 1.00 0.00 H new ATOM 315 N LYS A 19 2.947 20.250 3.835 1.00 0.00 N ATOM 316 CA LYS A 19 4.333 19.902 4.109 1.00 0.00 C ATOM 317 C LYS A 19 4.496 18.400 3.912 1.00 0.00 C ATOM 318 O LYS A 19 3.763 17.594 4.484 1.00 0.00 O ATOM 319 CB LYS A 19 4.656 20.303 5.543 1.00 0.00 C ATOM 320 CG LYS A 19 6.095 20.138 6.059 1.00 0.00 C ATOM 321 CD LYS A 19 6.536 18.672 6.128 1.00 0.00 C ATOM 322 CE LYS A 19 7.550 18.392 7.239 1.00 0.00 C ATOM 323 NZ LYS A 19 7.952 16.974 7.228 1.00 0.00 N ATOM 0 H LYS A 19 2.342 20.141 4.649 1.00 0.00 H new ATOM 0 HA LYS A 19 5.015 20.423 3.437 1.00 0.00 H new ATOM 0 HB2 LYS A 19 4.383 21.352 5.660 1.00 0.00 H new ATOM 0 HB3 LYS A 19 4.003 19.728 6.200 1.00 0.00 H new ATOM 0 HG2 LYS A 19 6.775 20.687 5.408 1.00 0.00 H new ATOM 0 HG3 LYS A 19 6.174 20.584 7.051 1.00 0.00 H new ATOM 0 HD2 LYS A 19 5.659 18.044 6.281 1.00 0.00 H new ATOM 0 HD3 LYS A 19 6.970 18.386 5.170 1.00 0.00 H new ATOM 0 HE2 LYS A 19 8.427 19.025 7.107 1.00 0.00 H new ATOM 0 HE3 LYS A 19 7.117 18.645 8.207 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 7.547 16.492 8.056 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 7.604 16.521 6.359 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 8.989 16.907 7.262 1.00 0.00 H new ATOM 337 N SER A 20 5.473 18.061 3.079 1.00 0.00 N ATOM 338 CA SER A 20 5.700 16.699 2.614 1.00 0.00 C ATOM 339 C SER A 20 5.956 15.752 3.791 1.00 0.00 C ATOM 340 O SER A 20 6.835 15.995 4.618 1.00 0.00 O ATOM 341 CB SER A 20 6.894 16.656 1.665 1.00 0.00 C ATOM 342 OG SER A 20 6.898 15.436 0.954 1.00 0.00 O ATOM 0 H SER A 20 6.139 18.735 2.702 1.00 0.00 H new ATOM 0 HA SER A 20 4.803 16.373 2.088 1.00 0.00 H new ATOM 0 HB2 SER A 20 6.846 17.493 0.968 1.00 0.00 H new ATOM 0 HB3 SER A 20 7.821 16.762 2.228 1.00 0.00 H new ATOM 0 HG SER A 20 7.666 15.415 0.345 1.00 0.00 H new ATOM 348 N ASN A 21 5.169 14.684 3.856 1.00 0.00 N ATOM 349 CA ASN A 21 5.098 13.756 4.976 1.00 0.00 C ATOM 350 C ASN A 21 5.607 12.387 4.497 1.00 0.00 C ATOM 351 O ASN A 21 6.505 12.355 3.657 1.00 0.00 O ATOM 352 CB ASN A 21 3.648 13.772 5.478 1.00 0.00 C ATOM 353 CG ASN A 21 3.520 13.296 6.921 1.00 0.00 C ATOM 354 OD1 ASN A 21 3.285 12.119 7.175 1.00 0.00 O ATOM 355 ND2 ASN A 21 3.670 14.219 7.873 1.00 0.00 N ATOM 0 H ASN A 21 4.537 14.432 3.097 1.00 0.00 H new ATOM 0 HA ASN A 21 5.731 14.028 5.820 1.00 0.00 H new ATOM 0 HB2 ASN A 21 3.251 14.784 5.397 1.00 0.00 H new ATOM 0 HB3 ASN A 21 3.038 13.138 4.835 1.00 0.00 H new ATOM 0 HD21 ASN A 21 3.590 13.956 8.855 1.00 0.00 H new ATOM 0 HD22 ASN A 21 3.865 15.187 7.618 1.00 0.00 H new ATOM 362 N PHE A 22 5.062 11.262 4.988 1.00 0.00 N ATOM 363 CA PHE A 22 5.409 9.941 4.468 1.00 0.00 C ATOM 364 C PHE A 22 4.305 8.919 4.745 1.00 0.00 C ATOM 365 O PHE A 22 3.925 8.718 5.895 1.00 0.00 O ATOM 366 CB PHE A 22 6.766 9.465 5.011 1.00 0.00 C ATOM 367 CG PHE A 22 7.783 9.170 3.927 1.00 0.00 C ATOM 368 CD1 PHE A 22 7.684 7.982 3.179 1.00 0.00 C ATOM 369 CD2 PHE A 22 8.771 10.118 3.605 1.00 0.00 C ATOM 370 CE1 PHE A 22 8.561 7.751 2.104 1.00 0.00 C ATOM 371 CE2 PHE A 22 9.662 9.875 2.546 1.00 0.00 C ATOM 372 CZ PHE A 22 9.543 8.702 1.782 1.00 0.00 C ATOM 0 H PHE A 22 4.379 11.247 5.745 1.00 0.00 H new ATOM 0 HA PHE A 22 5.502 10.031 3.386 1.00 0.00 H new ATOM 0 HB2 PHE A 22 7.169 10.227 5.678 1.00 0.00 H new ATOM 0 HB3 PHE A 22 6.614 8.567 5.609 1.00 0.00 H new ATOM 0 HD1 PHE A 22 6.934 7.247 3.431 1.00 0.00 H new ATOM 0 HD2 PHE A 22 8.845 11.034 4.172 1.00 0.00 H new ATOM 0 HE1 PHE A 22 8.479 6.842 1.526 1.00 0.00 H new ATOM 0 HE2 PHE A 22 10.439 10.590 2.319 1.00 0.00 H new ATOM 0 HZ PHE A 22 10.207 8.532 0.947 1.00 0.00 H new ATOM 382 N LEU A 23 3.792 8.295 3.676 1.00 0.00 N ATOM 383 CA LEU A 23 2.700 7.330 3.682 1.00 0.00 C ATOM 384 C LEU A 23 3.252 5.957 3.327 1.00 0.00 C ATOM 385 O LEU A 23 4.061 5.844 2.409 1.00 0.00 O ATOM 386 CB LEU A 23 1.646 7.760 2.658 1.00 0.00 C ATOM 387 CG LEU A 23 0.417 6.855 2.561 1.00 0.00 C ATOM 388 CD1 LEU A 23 -0.305 6.788 3.907 1.00 0.00 C ATOM 389 CD2 LEU A 23 -0.544 7.466 1.536 1.00 0.00 C ATOM 0 H LEU A 23 4.152 8.464 2.737 1.00 0.00 H new ATOM 0 HA LEU A 23 2.239 7.286 4.669 1.00 0.00 H new ATOM 0 HB2 LEU A 23 1.315 8.769 2.905 1.00 0.00 H new ATOM 0 HB3 LEU A 23 2.117 7.811 1.676 1.00 0.00 H new ATOM 0 HG LEU A 23 0.730 5.852 2.270 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -1.177 6.140 3.820 1.00 0.00 H new ATOM 0 HD12 LEU A 23 0.371 6.388 4.663 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -0.624 7.789 4.199 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -1.430 6.838 1.449 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -0.837 8.464 1.862 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -0.049 7.532 0.567 1.00 0.00 H new ATOM 401 N ASN A 24 2.838 4.930 4.077 1.00 0.00 N ATOM 402 CA ASN A 24 3.296 3.558 3.927 1.00 0.00 C ATOM 403 C ASN A 24 2.082 2.668 3.665 1.00 0.00 C ATOM 404 O ASN A 24 1.370 2.326 4.610 1.00 0.00 O ATOM 405 CB ASN A 24 3.991 3.092 5.217 1.00 0.00 C ATOM 406 CG ASN A 24 5.419 3.597 5.454 1.00 0.00 C ATOM 407 OD1 ASN A 24 6.228 2.877 6.035 1.00 0.00 O ATOM 408 ND2 ASN A 24 5.754 4.822 5.042 1.00 0.00 N ATOM 0 H ASN A 24 2.154 5.041 4.826 1.00 0.00 H new ATOM 0 HA ASN A 24 4.002 3.496 3.099 1.00 0.00 H new ATOM 0 HB2 ASN A 24 3.377 3.399 6.064 1.00 0.00 H new ATOM 0 HB3 ASN A 24 4.012 2.002 5.217 1.00 0.00 H new ATOM 0 HD21 ASN A 24 6.696 5.176 5.208 1.00 0.00 H new ATOM 0 HD22 ASN A 24 5.068 5.404 4.561 1.00 0.00 H new ATOM 415 N CYS A 25 1.881 2.235 2.411 1.00 0.00 N ATOM 416 CA CYS A 25 1.056 1.060 2.164 1.00 0.00 C ATOM 417 C CYS A 25 1.934 -0.122 2.537 1.00 0.00 C ATOM 418 O CYS A 25 3.038 -0.229 2.011 1.00 0.00 O ATOM 419 CB CYS A 25 0.657 0.890 0.687 1.00 0.00 C ATOM 420 SG CYS A 25 0.031 2.323 -0.210 1.00 0.00 S ATOM 0 H CYS A 25 2.271 2.673 1.576 1.00 0.00 H new ATOM 0 HA CYS A 25 0.130 1.146 2.733 1.00 0.00 H new ATOM 0 HB2 CYS A 25 1.529 0.519 0.149 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -0.104 0.111 0.637 1.00 0.00 H new ATOM 425 N TYR A 26 1.468 -1.002 3.421 1.00 0.00 N ATOM 426 CA TYR A 26 2.171 -2.233 3.728 1.00 0.00 C ATOM 427 C TYR A 26 1.180 -3.373 3.571 1.00 0.00 C ATOM 428 O TYR A 26 0.097 -3.323 4.143 1.00 0.00 O ATOM 429 CB TYR A 26 2.757 -2.151 5.138 1.00 0.00 C ATOM 430 CG TYR A 26 3.452 -3.405 5.645 1.00 0.00 C ATOM 431 CD1 TYR A 26 4.231 -4.196 4.781 1.00 0.00 C ATOM 432 CD2 TYR A 26 3.321 -3.782 6.994 1.00 0.00 C ATOM 433 CE1 TYR A 26 4.776 -5.408 5.230 1.00 0.00 C ATOM 434 CE2 TYR A 26 3.853 -5.004 7.441 1.00 0.00 C ATOM 435 CZ TYR A 26 4.578 -5.822 6.558 1.00 0.00 C ATOM 436 OH TYR A 26 5.092 -7.009 6.989 1.00 0.00 O ATOM 0 H TYR A 26 0.598 -0.878 3.938 1.00 0.00 H new ATOM 0 HA TYR A 26 3.010 -2.402 3.053 1.00 0.00 H new ATOM 0 HB2 TYR A 26 3.471 -1.328 5.166 1.00 0.00 H new ATOM 0 HB3 TYR A 26 1.953 -1.900 5.830 1.00 0.00 H new ATOM 0 HD1 TYR A 26 4.410 -3.869 3.768 1.00 0.00 H new ATOM 0 HD2 TYR A 26 2.810 -3.131 7.688 1.00 0.00 H new ATOM 0 HE1 TYR A 26 5.349 -6.024 4.553 1.00 0.00 H new ATOM 0 HE2 TYR A 26 3.704 -5.315 8.465 1.00 0.00 H new ATOM 0 HH TYR A 26 5.834 -7.275 6.406 1.00 0.00 H new ATOM 446 N VAL A 27 1.542 -4.376 2.768 1.00 0.00 N ATOM 447 CA VAL A 27 0.701 -5.530 2.513 1.00 0.00 C ATOM 448 C VAL A 27 1.534 -6.754 2.838 1.00 0.00 C ATOM 449 O VAL A 27 2.704 -6.799 2.461 1.00 0.00 O ATOM 450 CB VAL A 27 0.242 -5.565 1.046 1.00 0.00 C ATOM 451 CG1 VAL A 27 -0.889 -6.581 0.898 1.00 0.00 C ATOM 452 CG2 VAL A 27 -0.303 -4.220 0.589 1.00 0.00 C ATOM 0 H VAL A 27 2.435 -4.403 2.276 1.00 0.00 H new ATOM 0 HA VAL A 27 -0.200 -5.492 3.125 1.00 0.00 H new ATOM 0 HB VAL A 27 1.110 -5.827 0.442 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -1.218 -6.610 -0.141 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -0.533 -7.568 1.193 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -1.724 -6.291 1.536 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -0.616 -4.289 -0.453 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -1.158 -3.945 1.207 1.00 0.00 H new ATOM 0 HG23 VAL A 27 0.474 -3.461 0.685 1.00 0.00 H new ATOM 462 N SER A 28 0.946 -7.734 3.532 1.00 0.00 N ATOM 463 CA SER A 28 1.665 -8.931 3.923 1.00 0.00 C ATOM 464 C SER A 28 0.736 -10.122 4.130 1.00 0.00 C ATOM 465 O SER A 28 -0.480 -9.977 4.074 1.00 0.00 O ATOM 466 CB SER A 28 2.505 -8.627 5.172 1.00 0.00 C ATOM 467 OG SER A 28 1.662 -8.293 6.258 1.00 0.00 O ATOM 0 H SER A 28 -0.029 -7.713 3.831 1.00 0.00 H new ATOM 0 HA SER A 28 2.332 -9.221 3.111 1.00 0.00 H new ATOM 0 HB2 SER A 28 3.115 -9.493 5.429 1.00 0.00 H new ATOM 0 HB3 SER A 28 3.190 -7.804 4.967 1.00 0.00 H new ATOM 0 HG SER A 28 2.208 -8.103 7.049 1.00 0.00 H new ATOM 473 N GLY A 29 1.317 -11.308 4.349 1.00 0.00 N ATOM 474 CA GLY A 29 0.571 -12.536 4.589 1.00 0.00 C ATOM 475 C GLY A 29 0.283 -13.310 3.300 1.00 0.00 C ATOM 476 O GLY A 29 0.141 -14.531 3.344 1.00 0.00 O ATOM 0 H GLY A 29 2.329 -11.437 4.363 1.00 0.00 H new ATOM 0 HA2 GLY A 29 1.134 -13.172 5.272 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -0.371 -12.294 5.082 1.00 0.00 H new ATOM 480 N PHE A 30 0.180 -12.609 2.164 1.00 0.00 N ATOM 481 CA PHE A 30 -0.206 -13.182 0.881 1.00 0.00 C ATOM 482 C PHE A 30 0.927 -14.007 0.265 1.00 0.00 C ATOM 483 O PHE A 30 2.038 -14.026 0.787 1.00 0.00 O ATOM 484 CB PHE A 30 -0.657 -12.059 -0.062 1.00 0.00 C ATOM 485 CG PHE A 30 0.435 -11.088 -0.462 1.00 0.00 C ATOM 486 CD1 PHE A 30 1.251 -11.377 -1.569 1.00 0.00 C ATOM 487 CD2 PHE A 30 0.644 -9.901 0.265 1.00 0.00 C ATOM 488 CE1 PHE A 30 2.295 -10.518 -1.929 1.00 0.00 C ATOM 489 CE2 PHE A 30 1.680 -9.030 -0.106 1.00 0.00 C ATOM 490 CZ PHE A 30 2.514 -9.353 -1.186 1.00 0.00 C ATOM 0 H PHE A 30 0.368 -11.608 2.117 1.00 0.00 H new ATOM 0 HA PHE A 30 -1.038 -13.868 1.041 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -1.074 -12.507 -0.964 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -1.461 -11.502 0.418 1.00 0.00 H new ATOM 0 HD1 PHE A 30 1.070 -12.271 -2.148 1.00 0.00 H new ATOM 0 HD2 PHE A 30 0.009 -9.661 1.105 1.00 0.00 H new ATOM 0 HE1 PHE A 30 2.926 -10.752 -2.773 1.00 0.00 H new ATOM 0 HE2 PHE A 30 1.835 -8.111 0.440 1.00 0.00 H new ATOM 0 HZ PHE A 30 3.332 -8.697 -1.446 1.00 0.00 H new ATOM 500 N HIS A 31 0.628 -14.660 -0.864 1.00 0.00 N ATOM 501 CA HIS A 31 1.552 -15.342 -1.768 1.00 0.00 C ATOM 502 C HIS A 31 0.714 -15.726 -2.999 1.00 0.00 C ATOM 503 O HIS A 31 -0.479 -15.988 -2.833 1.00 0.00 O ATOM 504 CB HIS A 31 2.196 -16.565 -1.090 1.00 0.00 C ATOM 505 CG HIS A 31 1.366 -17.818 -1.126 1.00 0.00 C ATOM 506 ND1 HIS A 31 0.674 -18.294 -0.014 1.00 0.00 N ATOM 507 CD2 HIS A 31 1.170 -18.671 -2.175 1.00 0.00 C ATOM 508 CE1 HIS A 31 0.092 -19.421 -0.436 1.00 0.00 C ATOM 509 NE2 HIS A 31 0.351 -19.688 -1.729 1.00 0.00 N ATOM 0 H HIS A 31 -0.336 -14.729 -1.190 1.00 0.00 H new ATOM 0 HA HIS A 31 2.389 -14.705 -2.053 1.00 0.00 H new ATOM 0 HB2 HIS A 31 3.153 -16.767 -1.571 1.00 0.00 H new ATOM 0 HB3 HIS A 31 2.408 -16.316 -0.050 1.00 0.00 H new ATOM 0 HD2 HIS A 31 1.580 -18.568 -3.169 1.00 0.00 H new ATOM 0 HE1 HIS A 31 -0.520 -20.050 0.193 1.00 0.00 H new ATOM 0 HE2 HIS A 31 0.010 -20.482 -2.271 1.00 0.00 H new ATOM 517 N PRO A 32 1.261 -15.774 -4.226 1.00 0.00 N ATOM 518 CA PRO A 32 2.653 -15.578 -4.606 1.00 0.00 C ATOM 519 C PRO A 32 2.972 -14.081 -4.772 1.00 0.00 C ATOM 520 O PRO A 32 2.281 -13.227 -4.218 1.00 0.00 O ATOM 521 CB PRO A 32 2.782 -16.368 -5.920 1.00 0.00 C ATOM 522 CG PRO A 32 1.429 -16.121 -6.579 1.00 0.00 C ATOM 523 CD PRO A 32 0.493 -16.215 -5.377 1.00 0.00 C ATOM 0 HA PRO A 32 3.364 -15.925 -3.856 1.00 0.00 H new ATOM 0 HB2 PRO A 32 3.606 -16.005 -6.534 1.00 0.00 H new ATOM 0 HB3 PRO A 32 2.960 -17.428 -5.742 1.00 0.00 H new ATOM 0 HG2 PRO A 32 1.379 -15.146 -7.064 1.00 0.00 H new ATOM 0 HG3 PRO A 32 1.199 -16.868 -7.339 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -0.387 -15.588 -5.520 1.00 0.00 H new ATOM 0 HD3 PRO A 32 0.138 -17.236 -5.239 1.00 0.00 H new ATOM 531 N SER A 33 4.032 -13.769 -5.528 1.00 0.00 N ATOM 532 CA SER A 33 4.632 -12.449 -5.655 1.00 0.00 C ATOM 533 C SER A 33 3.825 -11.449 -6.485 1.00 0.00 C ATOM 534 O SER A 33 4.096 -10.252 -6.405 1.00 0.00 O ATOM 535 CB SER A 33 6.023 -12.625 -6.275 1.00 0.00 C ATOM 536 OG SER A 33 5.912 -13.103 -7.600 1.00 0.00 O ATOM 0 H SER A 33 4.513 -14.469 -6.092 1.00 0.00 H new ATOM 0 HA SER A 33 4.670 -12.020 -4.654 1.00 0.00 H new ATOM 0 HB2 SER A 33 6.555 -11.674 -6.268 1.00 0.00 H new ATOM 0 HB3 SER A 33 6.609 -13.323 -5.677 1.00 0.00 H new ATOM 0 HG SER A 33 6.807 -13.210 -7.985 1.00 0.00 H new ATOM 542 N ASP A 34 2.886 -11.922 -7.312 1.00 0.00 N ATOM 543 CA ASP A 34 2.251 -11.112 -8.341 1.00 0.00 C ATOM 544 C ASP A 34 1.193 -10.171 -7.748 1.00 0.00 C ATOM 545 O ASP A 34 0.006 -10.491 -7.748 1.00 0.00 O ATOM 546 CB ASP A 34 1.684 -12.049 -9.417 1.00 0.00 C ATOM 547 CG ASP A 34 0.995 -11.305 -10.561 1.00 0.00 C ATOM 548 OD1 ASP A 34 1.410 -10.160 -10.839 1.00 0.00 O ATOM 549 OD2 ASP A 34 0.069 -11.907 -11.148 1.00 0.00 O ATOM 0 H ASP A 34 2.548 -12.884 -7.281 1.00 0.00 H new ATOM 0 HA ASP A 34 2.988 -10.456 -8.806 1.00 0.00 H new ATOM 0 HB2 ASP A 34 2.492 -12.657 -9.823 1.00 0.00 H new ATOM 0 HB3 ASP A 34 0.971 -12.733 -8.955 1.00 0.00 H new ATOM 554 N ILE A 35 1.641 -9.011 -7.246 1.00 0.00 N ATOM 555 CA ILE A 35 0.788 -7.953 -6.711 1.00 0.00 C ATOM 556 C ILE A 35 1.192 -6.581 -7.245 1.00 0.00 C ATOM 557 O ILE A 35 2.366 -6.336 -7.520 1.00 0.00 O ATOM 558 CB ILE A 35 0.769 -8.006 -5.175 1.00 0.00 C ATOM 559 CG1 ILE A 35 -0.231 -7.036 -4.528 1.00 0.00 C ATOM 560 CG2 ILE A 35 2.134 -7.760 -4.557 1.00 0.00 C ATOM 561 CD1 ILE A 35 -0.449 -7.378 -3.050 1.00 0.00 C ATOM 0 H ILE A 35 2.634 -8.782 -7.202 1.00 0.00 H new ATOM 0 HA ILE A 35 -0.232 -8.123 -7.056 1.00 0.00 H new ATOM 0 HB ILE A 35 0.448 -9.026 -4.964 1.00 0.00 H new ATOM 0 HG12 ILE A 35 0.138 -6.014 -4.618 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -1.182 -7.080 -5.059 1.00 0.00 H new ATOM 0 HG21 ILE A 35 2.056 -7.810 -3.471 1.00 0.00 H new ATOM 0 HG22 ILE A 35 2.834 -8.520 -4.906 1.00 0.00 H new ATOM 0 HG23 ILE A 35 2.494 -6.774 -4.850 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -1.161 -6.676 -2.615 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -0.840 -8.392 -2.965 1.00 0.00 H new ATOM 0 HD13 ILE A 35 0.499 -7.309 -2.517 1.00 0.00 H new ATOM 573 N GLU A 36 0.197 -5.698 -7.377 1.00 0.00 N ATOM 574 CA GLU A 36 0.330 -4.334 -7.874 1.00 0.00 C ATOM 575 C GLU A 36 -0.231 -3.371 -6.832 1.00 0.00 C ATOM 576 O GLU A 36 -1.334 -3.600 -6.333 1.00 0.00 O ATOM 577 CB GLU A 36 -0.398 -4.139 -9.209 1.00 0.00 C ATOM 578 CG GLU A 36 -0.489 -5.423 -10.032 1.00 0.00 C ATOM 579 CD GLU A 36 -1.196 -5.172 -11.360 1.00 0.00 C ATOM 580 OE1 GLU A 36 -2.431 -4.973 -11.315 1.00 0.00 O ATOM 581 OE2 GLU A 36 -0.491 -5.168 -12.393 1.00 0.00 O ATOM 0 H GLU A 36 -0.765 -5.930 -7.128 1.00 0.00 H new ATOM 0 HA GLU A 36 1.387 -4.133 -8.047 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -1.404 -3.765 -9.017 1.00 0.00 H new ATOM 0 HB3 GLU A 36 0.120 -3.377 -9.791 1.00 0.00 H new ATOM 0 HG2 GLU A 36 0.512 -5.812 -10.217 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -1.028 -6.184 -9.467 1.00 0.00 H new ATOM 588 N VAL A 37 0.522 -2.313 -6.498 1.00 0.00 N ATOM 589 CA VAL A 37 0.153 -1.352 -5.466 1.00 0.00 C ATOM 590 C VAL A 37 0.561 0.051 -5.905 1.00 0.00 C ATOM 591 O VAL A 37 1.669 0.500 -5.615 1.00 0.00 O ATOM 592 CB VAL A 37 0.772 -1.760 -4.112 1.00 0.00 C ATOM 593 CG1 VAL A 37 0.454 -0.803 -2.954 1.00 0.00 C ATOM 594 CG2 VAL A 37 0.260 -3.146 -3.717 1.00 0.00 C ATOM 0 H VAL A 37 1.414 -2.104 -6.946 1.00 0.00 H new ATOM 0 HA VAL A 37 -0.928 -1.347 -5.327 1.00 0.00 H new ATOM 0 HB VAL A 37 1.851 -1.739 -4.267 1.00 0.00 H new ATOM 0 HG11 VAL A 37 0.928 -1.166 -2.042 1.00 0.00 H new ATOM 0 HG12 VAL A 37 0.833 0.191 -3.189 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -0.625 -0.755 -2.808 1.00 0.00 H new ATOM 0 HG21 VAL A 37 0.696 -3.436 -2.761 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -0.826 -3.121 -3.628 1.00 0.00 H new ATOM 0 HG23 VAL A 37 0.545 -3.870 -4.480 1.00 0.00 H new ATOM 604 N ASP A 38 -0.361 0.752 -6.576 1.00 0.00 N ATOM 605 CA ASP A 38 -0.239 2.181 -6.817 1.00 0.00 C ATOM 606 C ASP A 38 -0.694 2.919 -5.563 1.00 0.00 C ATOM 607 O ASP A 38 -1.595 2.449 -4.866 1.00 0.00 O ATOM 608 CB ASP A 38 -1.125 2.636 -7.987 1.00 0.00 C ATOM 609 CG ASP A 38 -0.996 1.772 -9.233 1.00 0.00 C ATOM 610 OD1 ASP A 38 0.123 1.717 -9.787 1.00 0.00 O ATOM 611 OD2 ASP A 38 -2.040 1.212 -9.632 1.00 0.00 O ATOM 0 H ASP A 38 -1.209 0.338 -6.964 1.00 0.00 H new ATOM 0 HA ASP A 38 0.800 2.400 -7.063 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -2.166 2.635 -7.663 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -0.871 3.665 -8.243 1.00 0.00 H new ATOM 616 N LEU A 39 -0.130 4.108 -5.333 1.00 0.00 N ATOM 617 CA LEU A 39 -0.753 5.102 -4.477 1.00 0.00 C ATOM 618 C LEU A 39 -1.473 6.109 -5.369 1.00 0.00 C ATOM 619 O LEU A 39 -0.953 6.516 -6.408 1.00 0.00 O ATOM 620 CB LEU A 39 0.262 5.763 -3.548 1.00 0.00 C ATOM 621 CG LEU A 39 0.779 4.766 -2.501 1.00 0.00 C ATOM 622 CD1 LEU A 39 2.222 4.346 -2.789 1.00 0.00 C ATOM 623 CD2 LEU A 39 0.662 5.390 -1.106 1.00 0.00 C ATOM 0 H LEU A 39 0.762 4.400 -5.733 1.00 0.00 H new ATOM 0 HA LEU A 39 -1.478 4.626 -3.818 1.00 0.00 H new ATOM 0 HB2 LEU A 39 1.098 6.149 -4.132 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -0.198 6.615 -3.048 1.00 0.00 H new ATOM 0 HG LEU A 39 0.168 3.864 -2.547 1.00 0.00 H new ATOM 0 HD11 LEU A 39 2.554 3.640 -2.028 1.00 0.00 H new ATOM 0 HD12 LEU A 39 2.275 3.873 -3.770 1.00 0.00 H new ATOM 0 HD13 LEU A 39 2.866 5.225 -2.775 1.00 0.00 H new ATOM 0 HD21 LEU A 39 1.028 4.685 -0.360 1.00 0.00 H new ATOM 0 HD22 LEU A 39 1.256 6.303 -1.065 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -0.382 5.627 -0.900 1.00 0.00 H new ATOM 635 N LEU A 40 -2.707 6.441 -4.978 1.00 0.00 N ATOM 636 CA LEU A 40 -3.700 7.068 -5.830 1.00 0.00 C ATOM 637 C LEU A 40 -4.484 8.052 -4.963 1.00 0.00 C ATOM 638 O LEU A 40 -5.109 7.631 -3.992 1.00 0.00 O ATOM 639 CB LEU A 40 -4.589 5.945 -6.392 1.00 0.00 C ATOM 640 CG LEU A 40 -5.377 6.258 -7.672 1.00 0.00 C ATOM 641 CD1 LEU A 40 -6.287 7.482 -7.550 1.00 0.00 C ATOM 642 CD2 LEU A 40 -4.441 6.412 -8.873 1.00 0.00 C ATOM 0 H LEU A 40 -3.044 6.272 -4.030 1.00 0.00 H new ATOM 0 HA LEU A 40 -3.269 7.617 -6.667 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -3.958 5.078 -6.586 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -5.300 5.656 -5.618 1.00 0.00 H new ATOM 0 HG LEU A 40 -6.030 5.400 -7.831 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -6.811 7.641 -8.492 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -7.013 7.317 -6.754 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -5.686 8.361 -7.316 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -5.027 6.633 -9.765 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -3.742 7.227 -8.687 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -3.887 5.486 -9.024 1.00 0.00 H new ATOM 654 N LYS A 41 -4.427 9.354 -5.274 1.00 0.00 N ATOM 655 CA LYS A 41 -5.094 10.366 -4.463 1.00 0.00 C ATOM 656 C LYS A 41 -6.584 10.481 -4.818 1.00 0.00 C ATOM 657 O LYS A 41 -7.238 9.483 -5.113 1.00 0.00 O ATOM 658 CB LYS A 41 -4.336 11.689 -4.604 1.00 0.00 C ATOM 659 CG LYS A 41 -2.875 11.558 -4.179 1.00 0.00 C ATOM 660 CD LYS A 41 -1.951 12.139 -5.247 1.00 0.00 C ATOM 661 CE LYS A 41 -2.167 13.632 -5.513 1.00 0.00 C ATOM 662 NZ LYS A 41 -1.974 14.454 -4.309 1.00 0.00 N ATOM 0 H LYS A 41 -3.925 9.725 -6.081 1.00 0.00 H new ATOM 0 HA LYS A 41 -5.073 10.074 -3.413 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -4.384 12.026 -5.640 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -4.823 12.453 -3.998 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -2.718 12.076 -3.233 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -2.632 10.509 -4.012 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -0.916 11.981 -4.943 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -2.097 11.590 -6.177 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -1.477 13.963 -6.289 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -3.175 13.787 -5.897 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -2.098 15.458 -4.550 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -2.672 14.182 -3.588 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -1.015 14.304 -3.936 1.00 0.00 H new ATOM 676 N ASN A 42 -7.115 11.709 -4.810 1.00 0.00 N ATOM 677 CA ASN A 42 -8.444 12.055 -5.302 1.00 0.00 C ATOM 678 C ASN A 42 -8.638 11.643 -6.764 1.00 0.00 C ATOM 679 O ASN A 42 -9.732 11.231 -7.145 1.00 0.00 O ATOM 680 CB ASN A 42 -8.722 13.556 -5.093 1.00 0.00 C ATOM 681 CG ASN A 42 -7.497 14.462 -5.257 1.00 0.00 C ATOM 682 OD1 ASN A 42 -7.097 15.129 -4.307 1.00 0.00 O ATOM 683 ND2 ASN A 42 -6.875 14.474 -6.437 1.00 0.00 N ATOM 0 H ASN A 42 -6.608 12.516 -4.446 1.00 0.00 H new ATOM 0 HA ASN A 42 -9.173 11.490 -4.721 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -9.488 13.872 -5.801 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -9.133 13.700 -4.094 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -6.043 15.048 -6.569 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -7.232 13.909 -7.207 1.00 0.00 H new ATOM 690 N GLY A 43 -7.582 11.737 -7.577 1.00 0.00 N ATOM 691 CA GLY A 43 -7.621 11.333 -8.973 1.00 0.00 C ATOM 692 C GLY A 43 -6.294 11.627 -9.667 1.00 0.00 C ATOM 693 O GLY A 43 -6.282 12.149 -10.780 1.00 0.00 O ATOM 0 H GLY A 43 -6.676 12.098 -7.278 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -7.842 10.268 -9.041 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -8.427 11.859 -9.485 1.00 0.00 H new ATOM 697 N GLU A 44 -5.183 11.278 -9.008 1.00 0.00 N ATOM 698 CA GLU A 44 -3.837 11.384 -9.548 1.00 0.00 C ATOM 699 C GLU A 44 -3.028 10.196 -9.031 1.00 0.00 C ATOM 700 O GLU A 44 -3.083 9.895 -7.839 1.00 0.00 O ATOM 701 CB GLU A 44 -3.223 12.719 -9.112 1.00 0.00 C ATOM 702 CG GLU A 44 -1.812 12.922 -9.677 1.00 0.00 C ATOM 703 CD GLU A 44 -1.208 14.238 -9.198 1.00 0.00 C ATOM 704 OE1 GLU A 44 -1.802 15.289 -9.521 1.00 0.00 O ATOM 705 OE2 GLU A 44 -0.169 14.170 -8.506 1.00 0.00 O ATOM 0 H GLU A 44 -5.204 10.905 -8.059 1.00 0.00 H new ATOM 0 HA GLU A 44 -3.842 11.362 -10.638 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -3.865 13.536 -9.441 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -3.186 12.761 -8.023 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -1.173 12.093 -9.372 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -1.849 12.911 -10.766 1.00 0.00 H new ATOM 712 N ARG A 45 -2.296 9.523 -9.928 1.00 0.00 N ATOM 713 CA ARG A 45 -1.446 8.392 -9.589 1.00 0.00 C ATOM 714 C ARG A 45 -0.027 8.879 -9.322 1.00 0.00 C ATOM 715 O ARG A 45 0.527 9.656 -10.097 1.00 0.00 O ATOM 716 CB ARG A 45 -1.483 7.341 -10.705 1.00 0.00 C ATOM 717 CG ARG A 45 -0.798 6.054 -10.226 1.00 0.00 C ATOM 718 CD ARG A 45 -0.830 4.938 -11.271 1.00 0.00 C ATOM 719 NE ARG A 45 -2.193 4.458 -11.543 1.00 0.00 N ATOM 720 CZ ARG A 45 -2.497 3.265 -12.086 1.00 0.00 C ATOM 721 NH1 ARG A 45 -1.545 2.360 -12.352 1.00 0.00 N ATOM 722 NH2 ARG A 45 -3.774 2.974 -12.368 1.00 0.00 N ATOM 0 H ARG A 45 -2.283 9.758 -10.921 1.00 0.00 H new ATOM 0 HA ARG A 45 -1.819 7.917 -8.682 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -2.515 7.132 -10.987 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -0.981 7.723 -11.594 1.00 0.00 H new ATOM 0 HG2 ARG A 45 0.238 6.274 -9.969 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -1.286 5.706 -9.315 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -0.384 5.300 -12.198 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -0.217 4.105 -10.927 1.00 0.00 H new ATOM 0 HE ARG A 45 -2.967 5.077 -11.302 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -0.569 2.570 -12.143 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -1.796 1.461 -12.764 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -4.508 3.655 -12.171 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -4.013 2.072 -12.780 1.00 0.00 H new ATOM 736 N ILE A 46 0.549 8.415 -8.211 1.00 0.00 N ATOM 737 CA ILE A 46 1.847 8.788 -7.729 1.00 0.00 C ATOM 738 C ILE A 46 2.865 7.849 -8.369 1.00 0.00 C ATOM 739 O ILE A 46 2.785 6.635 -8.190 1.00 0.00 O ATOM 740 CB ILE A 46 1.792 8.659 -6.202 1.00 0.00 C ATOM 741 CG1 ILE A 46 0.688 9.582 -5.652 1.00 0.00 C ATOM 742 CG2 ILE A 46 3.150 9.017 -5.619 1.00 0.00 C ATOM 743 CD1 ILE A 46 0.564 9.559 -4.132 1.00 0.00 C ATOM 0 H ILE A 46 0.086 7.737 -7.606 1.00 0.00 H new ATOM 0 HA ILE A 46 2.138 9.807 -7.984 1.00 0.00 H new ATOM 0 HB ILE A 46 1.555 7.634 -5.917 1.00 0.00 H new ATOM 0 HG12 ILE A 46 0.888 10.604 -5.975 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -0.267 9.290 -6.089 1.00 0.00 H new ATOM 0 HG21 ILE A 46 3.115 8.927 -4.533 1.00 0.00 H new ATOM 0 HG22 ILE A 46 3.906 8.339 -6.015 1.00 0.00 H new ATOM 0 HG23 ILE A 46 3.403 10.042 -5.890 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -0.234 10.234 -3.822 1.00 0.00 H new ATOM 0 HD12 ILE A 46 0.332 8.547 -3.801 1.00 0.00 H new ATOM 0 HD13 ILE A 46 1.505 9.880 -3.685 1.00 0.00 H new ATOM 755 N GLU A 47 3.810 8.423 -9.117 1.00 0.00 N ATOM 756 CA GLU A 47 4.909 7.695 -9.735 1.00 0.00 C ATOM 757 C GLU A 47 6.074 7.520 -8.755 1.00 0.00 C ATOM 758 O GLU A 47 6.773 6.510 -8.822 1.00 0.00 O ATOM 759 CB GLU A 47 5.362 8.415 -11.011 1.00 0.00 C ATOM 760 CG GLU A 47 4.242 8.449 -12.059 1.00 0.00 C ATOM 761 CD GLU A 47 4.743 8.997 -13.392 1.00 0.00 C ATOM 762 OE1 GLU A 47 5.214 10.155 -13.389 1.00 0.00 O ATOM 763 OE2 GLU A 47 4.651 8.248 -14.388 1.00 0.00 O ATOM 0 H GLU A 47 3.829 9.424 -9.311 1.00 0.00 H new ATOM 0 HA GLU A 47 4.559 6.699 -10.005 1.00 0.00 H new ATOM 0 HB2 GLU A 47 5.667 9.433 -10.768 1.00 0.00 H new ATOM 0 HB3 GLU A 47 6.235 7.911 -11.425 1.00 0.00 H new ATOM 0 HG2 GLU A 47 3.846 7.444 -12.203 1.00 0.00 H new ATOM 0 HG3 GLU A 47 3.420 9.066 -11.696 1.00 0.00 H new ATOM 770 N LYS A 48 6.288 8.489 -7.852 1.00 0.00 N ATOM 771 CA LYS A 48 7.370 8.470 -6.874 1.00 0.00 C ATOM 772 C LYS A 48 7.020 7.542 -5.704 1.00 0.00 C ATOM 773 O LYS A 48 6.811 7.989 -4.577 1.00 0.00 O ATOM 774 CB LYS A 48 7.678 9.911 -6.434 1.00 0.00 C ATOM 775 CG LYS A 48 8.964 10.006 -5.601 1.00 0.00 C ATOM 776 CD LYS A 48 9.316 11.472 -5.325 1.00 0.00 C ATOM 777 CE LYS A 48 10.629 11.568 -4.541 1.00 0.00 C ATOM 778 NZ LYS A 48 10.982 12.970 -4.255 1.00 0.00 N ATOM 0 H LYS A 48 5.700 9.320 -7.785 1.00 0.00 H new ATOM 0 HA LYS A 48 8.277 8.063 -7.320 1.00 0.00 H new ATOM 0 HB2 LYS A 48 7.772 10.545 -7.316 1.00 0.00 H new ATOM 0 HB3 LYS A 48 6.841 10.297 -5.851 1.00 0.00 H new ATOM 0 HG2 LYS A 48 8.835 9.473 -4.659 1.00 0.00 H new ATOM 0 HG3 LYS A 48 9.784 9.522 -6.131 1.00 0.00 H new ATOM 0 HD2 LYS A 48 9.407 12.014 -6.266 1.00 0.00 H new ATOM 0 HD3 LYS A 48 8.513 11.945 -4.761 1.00 0.00 H new ATOM 0 HE2 LYS A 48 10.537 11.016 -3.606 1.00 0.00 H new ATOM 0 HE3 LYS A 48 11.430 11.098 -5.111 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 11.765 12.998 -3.571 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 11.274 13.441 -5.135 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 10.157 13.461 -3.856 1.00 0.00 H new ATOM 792 N VAL A 49 6.966 6.238 -5.992 1.00 0.00 N ATOM 793 CA VAL A 49 6.734 5.171 -5.032 1.00 0.00 C ATOM 794 C VAL A 49 8.030 4.374 -4.922 1.00 0.00 C ATOM 795 O VAL A 49 8.470 3.790 -5.912 1.00 0.00 O ATOM 796 CB VAL A 49 5.574 4.278 -5.511 1.00 0.00 C ATOM 797 CG1 VAL A 49 5.296 3.160 -4.496 1.00 0.00 C ATOM 798 CG2 VAL A 49 4.302 5.111 -5.710 1.00 0.00 C ATOM 0 H VAL A 49 7.089 5.889 -6.943 1.00 0.00 H new ATOM 0 HA VAL A 49 6.456 5.571 -4.057 1.00 0.00 H new ATOM 0 HB VAL A 49 5.865 3.832 -6.462 1.00 0.00 H new ATOM 0 HG11 VAL A 49 4.473 2.541 -4.853 1.00 0.00 H new ATOM 0 HG12 VAL A 49 6.188 2.545 -4.378 1.00 0.00 H new ATOM 0 HG13 VAL A 49 5.029 3.599 -3.535 1.00 0.00 H new ATOM 0 HG21 VAL A 49 3.493 4.464 -6.049 1.00 0.00 H new ATOM 0 HG22 VAL A 49 4.022 5.579 -4.766 1.00 0.00 H new ATOM 0 HG23 VAL A 49 4.486 5.883 -6.457 1.00 0.00 H new ATOM 808 N GLU A 50 8.629 4.340 -3.728 1.00 0.00 N ATOM 809 CA GLU A 50 9.761 3.478 -3.429 1.00 0.00 C ATOM 810 C GLU A 50 9.209 2.262 -2.685 1.00 0.00 C ATOM 811 O GLU A 50 8.140 2.347 -2.080 1.00 0.00 O ATOM 812 CB GLU A 50 10.791 4.265 -2.611 1.00 0.00 C ATOM 813 CG GLU A 50 12.167 3.596 -2.608 1.00 0.00 C ATOM 814 CD GLU A 50 13.157 4.395 -1.766 1.00 0.00 C ATOM 815 OE1 GLU A 50 13.080 4.265 -0.525 1.00 0.00 O ATOM 816 OE2 GLU A 50 13.965 5.127 -2.378 1.00 0.00 O ATOM 0 H GLU A 50 8.335 4.917 -2.940 1.00 0.00 H new ATOM 0 HA GLU A 50 10.276 3.136 -4.326 1.00 0.00 H new ATOM 0 HB2 GLU A 50 10.881 5.272 -3.017 1.00 0.00 H new ATOM 0 HB3 GLU A 50 10.436 4.365 -1.585 1.00 0.00 H new ATOM 0 HG2 GLU A 50 12.083 2.583 -2.214 1.00 0.00 H new ATOM 0 HG3 GLU A 50 12.537 3.511 -3.630 1.00 0.00 H new ATOM 823 N HIS A 51 9.903 1.121 -2.736 1.00 0.00 N ATOM 824 CA HIS A 51 9.456 -0.067 -2.028 1.00 0.00 C ATOM 825 C HIS A 51 10.631 -0.962 -1.650 1.00 0.00 C ATOM 826 O HIS A 51 11.670 -0.948 -2.308 1.00 0.00 O ATOM 827 CB HIS A 51 8.410 -0.832 -2.853 1.00 0.00 C ATOM 828 CG HIS A 51 8.974 -1.533 -4.062 1.00 0.00 C ATOM 829 ND1 HIS A 51 9.158 -2.916 -4.077 1.00 0.00 N ATOM 830 CD2 HIS A 51 9.378 -1.016 -5.264 1.00 0.00 C ATOM 831 CE1 HIS A 51 9.661 -3.178 -5.287 1.00 0.00 C ATOM 832 NE2 HIS A 51 9.817 -2.073 -6.034 1.00 0.00 N ATOM 0 H HIS A 51 10.771 1.002 -3.259 1.00 0.00 H new ATOM 0 HA HIS A 51 8.981 0.253 -1.100 1.00 0.00 H new ATOM 0 HB2 HIS A 51 7.925 -1.569 -2.212 1.00 0.00 H new ATOM 0 HB3 HIS A 51 7.638 -0.135 -3.178 1.00 0.00 H new ATOM 0 HD2 HIS A 51 9.357 0.024 -5.555 1.00 0.00 H new ATOM 0 HE1 HIS A 51 9.915 -4.171 -5.627 1.00 0.00 H new ATOM 0 HE2 HIS A 51 10.187 -2.025 -6.983 1.00 0.00 H new ATOM 840 N SER A 52 10.436 -1.751 -0.589 1.00 0.00 N ATOM 841 CA SER A 52 11.384 -2.763 -0.153 1.00 0.00 C ATOM 842 C SER A 52 11.280 -3.964 -1.093 1.00 0.00 C ATOM 843 O SER A 52 10.401 -4.801 -0.892 1.00 0.00 O ATOM 844 CB SER A 52 11.096 -3.159 1.301 1.00 0.00 C ATOM 845 OG SER A 52 11.288 -2.052 2.157 1.00 0.00 O ATOM 0 H SER A 52 9.601 -1.698 -0.005 1.00 0.00 H new ATOM 0 HA SER A 52 12.401 -2.374 -0.190 1.00 0.00 H new ATOM 0 HB2 SER A 52 10.073 -3.523 1.390 1.00 0.00 H new ATOM 0 HB3 SER A 52 11.752 -3.976 1.599 1.00 0.00 H new ATOM 0 HG SER A 52 11.290 -1.227 1.629 1.00 0.00 H new ATOM 851 N ASP A 53 12.170 -4.009 -2.099 1.00 0.00 N ATOM 852 CA ASP A 53 12.264 -4.956 -3.214 1.00 0.00 C ATOM 853 C ASP A 53 11.314 -6.149 -3.092 1.00 0.00 C ATOM 854 O ASP A 53 10.254 -6.155 -3.715 1.00 0.00 O ATOM 855 CB ASP A 53 13.724 -5.401 -3.398 1.00 0.00 C ATOM 856 CG ASP A 53 14.631 -4.232 -3.776 1.00 0.00 C ATOM 857 OD1 ASP A 53 14.873 -3.390 -2.883 1.00 0.00 O ATOM 858 OD2 ASP A 53 15.064 -4.201 -4.947 1.00 0.00 O ATOM 0 H ASP A 53 12.913 -3.313 -2.153 1.00 0.00 H new ATOM 0 HA ASP A 53 11.935 -4.430 -4.110 1.00 0.00 H new ATOM 0 HB2 ASP A 53 14.084 -5.856 -2.475 1.00 0.00 H new ATOM 0 HB3 ASP A 53 13.776 -6.166 -4.173 1.00 0.00 H new ATOM 863 N LEU A 54 11.674 -7.134 -2.258 1.00 0.00 N ATOM 864 CA LEU A 54 10.761 -8.172 -1.807 1.00 0.00 C ATOM 865 C LEU A 54 11.296 -8.735 -0.490 1.00 0.00 C ATOM 866 O LEU A 54 12.481 -9.053 -0.402 1.00 0.00 O ATOM 867 CB LEU A 54 10.584 -9.253 -2.900 1.00 0.00 C ATOM 868 CG LEU A 54 9.451 -10.276 -2.669 1.00 0.00 C ATOM 869 CD1 LEU A 54 9.840 -11.378 -1.682 1.00 0.00 C ATOM 870 CD2 LEU A 54 8.153 -9.578 -2.258 1.00 0.00 C ATOM 0 H LEU A 54 12.617 -7.226 -1.879 1.00 0.00 H new ATOM 0 HA LEU A 54 9.766 -7.765 -1.628 1.00 0.00 H new ATOM 0 HB2 LEU A 54 10.405 -8.752 -3.851 1.00 0.00 H new ATOM 0 HB3 LEU A 54 11.523 -9.798 -2.998 1.00 0.00 H new ATOM 0 HG LEU A 54 9.276 -10.773 -3.623 1.00 0.00 H new ATOM 0 HD11 LEU A 54 9.005 -12.068 -1.559 1.00 0.00 H new ATOM 0 HD12 LEU A 54 10.705 -11.920 -2.064 1.00 0.00 H new ATOM 0 HD13 LEU A 54 10.088 -10.933 -0.718 1.00 0.00 H new ATOM 0 HD21 LEU A 54 7.373 -10.323 -2.102 1.00 0.00 H new ATOM 0 HD22 LEU A 54 8.315 -9.023 -1.334 1.00 0.00 H new ATOM 0 HD23 LEU A 54 7.845 -8.890 -3.045 1.00 0.00 H new ATOM 882 N SER A 55 10.434 -8.847 0.533 1.00 0.00 N ATOM 883 CA SER A 55 10.773 -9.420 1.830 1.00 0.00 C ATOM 884 C SER A 55 9.713 -10.446 2.235 1.00 0.00 C ATOM 885 O SER A 55 8.755 -10.102 2.915 1.00 0.00 O ATOM 886 CB SER A 55 10.884 -8.294 2.866 1.00 0.00 C ATOM 887 OG SER A 55 11.279 -8.817 4.117 1.00 0.00 O ATOM 0 H SER A 55 9.465 -8.534 0.473 1.00 0.00 H new ATOM 0 HA SER A 55 11.733 -9.933 1.773 1.00 0.00 H new ATOM 0 HB2 SER A 55 11.607 -7.551 2.530 1.00 0.00 H new ATOM 0 HB3 SER A 55 9.925 -7.784 2.963 1.00 0.00 H new ATOM 0 HG SER A 55 10.522 -8.786 4.738 1.00 0.00 H new ATOM 893 N PHE A 56 9.889 -11.720 1.866 1.00 0.00 N ATOM 894 CA PHE A 56 8.970 -12.784 2.267 1.00 0.00 C ATOM 895 C PHE A 56 9.324 -13.376 3.641 1.00 0.00 C ATOM 896 O PHE A 56 8.904 -14.491 3.950 1.00 0.00 O ATOM 897 CB PHE A 56 8.870 -13.841 1.158 1.00 0.00 C ATOM 898 CG PHE A 56 10.069 -14.739 0.924 1.00 0.00 C ATOM 899 CD1 PHE A 56 11.180 -14.273 0.199 1.00 0.00 C ATOM 900 CD2 PHE A 56 9.971 -16.106 1.241 1.00 0.00 C ATOM 901 CE1 PHE A 56 12.222 -15.153 -0.140 1.00 0.00 C ATOM 902 CE2 PHE A 56 11.000 -16.993 0.882 1.00 0.00 C ATOM 903 CZ PHE A 56 12.134 -16.514 0.203 1.00 0.00 C ATOM 0 H PHE A 56 10.666 -12.038 1.286 1.00 0.00 H new ATOM 0 HA PHE A 56 7.978 -12.352 2.396 1.00 0.00 H new ATOM 0 HB2 PHE A 56 8.013 -14.478 1.379 1.00 0.00 H new ATOM 0 HB3 PHE A 56 8.651 -13.325 0.223 1.00 0.00 H new ATOM 0 HD1 PHE A 56 11.233 -13.236 -0.098 1.00 0.00 H new ATOM 0 HD2 PHE A 56 9.101 -16.476 1.763 1.00 0.00 H new ATOM 0 HE1 PHE A 56 13.091 -14.784 -0.664 1.00 0.00 H new ATOM 0 HE2 PHE A 56 10.920 -18.042 1.127 1.00 0.00 H new ATOM 0 HZ PHE A 56 12.936 -17.190 -0.055 1.00 0.00 H new ATOM 913 N SER A 57 10.093 -12.626 4.452 1.00 0.00 N ATOM 914 CA SER A 57 10.627 -12.995 5.762 1.00 0.00 C ATOM 915 C SER A 57 11.127 -14.442 5.815 1.00 0.00 C ATOM 916 O SER A 57 10.937 -15.116 6.822 1.00 0.00 O ATOM 917 CB SER A 57 9.599 -12.699 6.862 1.00 0.00 C ATOM 918 OG SER A 57 8.399 -13.415 6.667 1.00 0.00 O ATOM 0 H SER A 57 10.373 -11.682 4.184 1.00 0.00 H new ATOM 0 HA SER A 57 11.506 -12.376 5.941 1.00 0.00 H new ATOM 0 HB2 SER A 57 10.022 -12.957 7.833 1.00 0.00 H new ATOM 0 HB3 SER A 57 9.385 -11.630 6.881 1.00 0.00 H new ATOM 0 HG SER A 57 8.318 -14.111 7.353 1.00 0.00 H new ATOM 924 N LYS A 58 11.759 -14.902 4.725 1.00 0.00 N ATOM 925 CA LYS A 58 12.085 -16.297 4.424 1.00 0.00 C ATOM 926 C LYS A 58 11.178 -17.340 5.112 1.00 0.00 C ATOM 927 O LYS A 58 11.654 -18.378 5.566 1.00 0.00 O ATOM 928 CB LYS A 58 13.595 -16.521 4.604 1.00 0.00 C ATOM 929 CG LYS A 58 14.137 -17.720 3.818 1.00 0.00 C ATOM 930 CD LYS A 58 15.654 -17.812 4.015 1.00 0.00 C ATOM 931 CE LYS A 58 16.223 -19.009 3.247 1.00 0.00 C ATOM 932 NZ LYS A 58 17.680 -19.121 3.429 1.00 0.00 N ATOM 0 H LYS A 58 12.073 -14.270 3.989 1.00 0.00 H new ATOM 0 HA LYS A 58 11.850 -16.477 3.375 1.00 0.00 H new ATOM 0 HB2 LYS A 58 14.127 -15.622 4.291 1.00 0.00 H new ATOM 0 HB3 LYS A 58 13.808 -16.665 5.663 1.00 0.00 H new ATOM 0 HG2 LYS A 58 13.658 -18.638 4.158 1.00 0.00 H new ATOM 0 HG3 LYS A 58 13.902 -17.611 2.759 1.00 0.00 H new ATOM 0 HD2 LYS A 58 16.128 -16.893 3.670 1.00 0.00 H new ATOM 0 HD3 LYS A 58 15.884 -17.911 5.076 1.00 0.00 H new ATOM 0 HE2 LYS A 58 15.741 -19.925 3.589 1.00 0.00 H new ATOM 0 HE3 LYS A 58 15.994 -18.905 2.186 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 18.034 -19.941 2.896 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 18.141 -18.256 3.080 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 17.895 -19.245 4.439 1.00 0.00 H new ATOM 946 N ASP A 59 9.861 -17.071 5.142 1.00 0.00 N ATOM 947 CA ASP A 59 8.837 -17.927 5.731 1.00 0.00 C ATOM 948 C ASP A 59 7.934 -18.500 4.637 1.00 0.00 C ATOM 949 O ASP A 59 8.098 -18.201 3.455 1.00 0.00 O ATOM 950 CB ASP A 59 7.981 -17.095 6.708 1.00 0.00 C ATOM 951 CG ASP A 59 8.716 -16.688 7.983 1.00 0.00 C ATOM 952 OD1 ASP A 59 9.462 -17.536 8.519 1.00 0.00 O ATOM 953 OD2 ASP A 59 8.487 -15.540 8.420 1.00 0.00 O ATOM 0 H ASP A 59 9.474 -16.217 4.739 1.00 0.00 H new ATOM 0 HA ASP A 59 9.321 -18.747 6.261 1.00 0.00 H new ATOM 0 HB2 ASP A 59 7.635 -16.196 6.197 1.00 0.00 H new ATOM 0 HB3 ASP A 59 7.095 -17.669 6.979 1.00 0.00 H new ATOM 958 N TRP A 60 6.917 -19.262 5.057 1.00 0.00 N ATOM 959 CA TRP A 60 5.759 -19.602 4.243 1.00 0.00 C ATOM 960 C TRP A 60 4.805 -18.397 4.219 1.00 0.00 C ATOM 961 O TRP A 60 3.680 -18.472 4.708 1.00 0.00 O ATOM 962 CB TRP A 60 5.088 -20.857 4.820 1.00 0.00 C ATOM 963 CG TRP A 60 5.928 -22.100 4.842 1.00 0.00 C ATOM 964 CD1 TRP A 60 6.873 -22.393 5.763 1.00 0.00 C ATOM 965 CD2 TRP A 60 5.900 -23.239 3.930 1.00 0.00 C ATOM 966 NE1 TRP A 60 7.433 -23.624 5.491 1.00 0.00 N ATOM 967 CE2 TRP A 60 6.867 -24.192 4.368 1.00 0.00 C ATOM 968 CE3 TRP A 60 5.149 -23.570 2.781 1.00 0.00 C ATOM 969 CZ2 TRP A 60 7.079 -25.407 3.699 1.00 0.00 C ATOM 970 CZ3 TRP A 60 5.352 -24.788 2.104 1.00 0.00 C ATOM 971 CH2 TRP A 60 6.318 -25.704 2.558 1.00 0.00 C ATOM 0 H TRP A 60 6.882 -19.665 5.993 1.00 0.00 H new ATOM 0 HA TRP A 60 6.052 -19.825 3.217 1.00 0.00 H new ATOM 0 HB2 TRP A 60 4.770 -20.639 5.840 1.00 0.00 H new ATOM 0 HB3 TRP A 60 4.187 -21.061 4.242 1.00 0.00 H new ATOM 0 HD1 TRP A 60 7.149 -21.757 6.591 1.00 0.00 H new ATOM 0 HE1 TRP A 60 8.170 -24.058 6.048 1.00 0.00 H new ATOM 0 HE3 TRP A 60 4.406 -22.877 2.415 1.00 0.00 H new ATOM 0 HZ2 TRP A 60 7.820 -26.106 4.058 1.00 0.00 H new ATOM 0 HZ3 TRP A 60 4.762 -25.020 1.230 1.00 0.00 H new ATOM 0 HH2 TRP A 60 6.474 -26.633 2.030 1.00 0.00 H new ATOM 982 N SER A 61 5.278 -17.276 3.659 1.00 0.00 N ATOM 983 CA SER A 61 4.554 -16.016 3.536 1.00 0.00 C ATOM 984 C SER A 61 5.149 -15.237 2.359 1.00 0.00 C ATOM 985 O SER A 61 5.957 -15.787 1.615 1.00 0.00 O ATOM 986 CB SER A 61 4.654 -15.230 4.852 1.00 0.00 C ATOM 987 OG SER A 61 3.760 -14.134 4.842 1.00 0.00 O ATOM 0 H SER A 61 6.217 -17.226 3.264 1.00 0.00 H new ATOM 0 HA SER A 61 3.495 -16.190 3.344 1.00 0.00 H new ATOM 0 HB2 SER A 61 4.426 -15.886 5.692 1.00 0.00 H new ATOM 0 HB3 SER A 61 5.674 -14.874 4.993 1.00 0.00 H new ATOM 0 HG SER A 61 3.834 -13.644 5.687 1.00 0.00 H new ATOM 993 N PHE A 62 4.757 -13.967 2.191 1.00 0.00 N ATOM 994 CA PHE A 62 5.226 -13.081 1.131 1.00 0.00 C ATOM 995 C PHE A 62 4.745 -11.665 1.449 1.00 0.00 C ATOM 996 O PHE A 62 3.564 -11.489 1.750 1.00 0.00 O ATOM 997 CB PHE A 62 4.714 -13.553 -0.242 1.00 0.00 C ATOM 998 CG PHE A 62 5.778 -13.592 -1.315 1.00 0.00 C ATOM 999 CD1 PHE A 62 6.633 -14.705 -1.410 1.00 0.00 C ATOM 1000 CD2 PHE A 62 5.937 -12.520 -2.207 1.00 0.00 C ATOM 1001 CE1 PHE A 62 7.635 -14.756 -2.384 1.00 0.00 C ATOM 1002 CE2 PHE A 62 6.923 -12.585 -3.201 1.00 0.00 C ATOM 1003 CZ PHE A 62 7.776 -13.698 -3.294 1.00 0.00 C ATOM 0 H PHE A 62 4.083 -13.519 2.812 1.00 0.00 H new ATOM 0 HA PHE A 62 6.315 -13.095 1.083 1.00 0.00 H new ATOM 0 HB2 PHE A 62 4.284 -14.549 -0.135 1.00 0.00 H new ATOM 0 HB3 PHE A 62 3.910 -12.892 -0.566 1.00 0.00 H new ATOM 0 HD1 PHE A 62 6.514 -15.530 -0.723 1.00 0.00 H new ATOM 0 HD2 PHE A 62 5.303 -11.649 -2.128 1.00 0.00 H new ATOM 0 HE1 PHE A 62 8.298 -15.607 -2.435 1.00 0.00 H new ATOM 0 HE2 PHE A 62 7.028 -11.771 -3.903 1.00 0.00 H new ATOM 0 HZ PHE A 62 8.535 -13.738 -4.061 1.00 0.00 H new ATOM 1013 N TYR A 63 5.632 -10.659 1.399 1.00 0.00 N ATOM 1014 CA TYR A 63 5.197 -9.285 1.600 1.00 0.00 C ATOM 1015 C TYR A 63 6.250 -8.314 1.081 1.00 0.00 C ATOM 1016 O TYR A 63 7.379 -8.699 0.791 1.00 0.00 O ATOM 1017 CB TYR A 63 5.001 -8.968 3.080 1.00 0.00 C ATOM 1018 CG TYR A 63 6.162 -9.202 3.999 1.00 0.00 C ATOM 1019 CD1 TYR A 63 7.064 -8.142 4.193 1.00 0.00 C ATOM 1020 CD2 TYR A 63 6.178 -10.310 4.858 1.00 0.00 C ATOM 1021 CE1 TYR A 63 7.978 -8.180 5.251 1.00 0.00 C ATOM 1022 CE2 TYR A 63 7.068 -10.330 5.941 1.00 0.00 C ATOM 1023 CZ TYR A 63 7.945 -9.249 6.161 1.00 0.00 C ATOM 1024 OH TYR A 63 8.748 -9.219 7.263 1.00 0.00 O ATOM 0 H TYR A 63 6.630 -10.775 1.225 1.00 0.00 H new ATOM 0 HA TYR A 63 4.255 -9.177 1.063 1.00 0.00 H new ATOM 0 HB2 TYR A 63 4.712 -7.920 3.164 1.00 0.00 H new ATOM 0 HB3 TYR A 63 4.161 -9.561 3.442 1.00 0.00 H new ATOM 0 HD1 TYR A 63 7.051 -7.295 3.523 1.00 0.00 H new ATOM 0 HD2 TYR A 63 5.510 -11.141 4.687 1.00 0.00 H new ATOM 0 HE1 TYR A 63 8.706 -7.391 5.368 1.00 0.00 H new ATOM 0 HE2 TYR A 63 7.082 -11.178 6.610 1.00 0.00 H new ATOM 0 HH TYR A 63 8.445 -9.893 7.907 1.00 0.00 H new ATOM 1034 N LEU A 64 5.878 -7.032 1.053 1.00 0.00 N ATOM 1035 CA LEU A 64 6.734 -5.921 0.666 1.00 0.00 C ATOM 1036 C LEU A 64 6.059 -4.634 1.137 1.00 0.00 C ATOM 1037 O LEU A 64 4.836 -4.591 1.268 1.00 0.00 O ATOM 1038 CB LEU A 64 7.071 -5.928 -0.843 1.00 0.00 C ATOM 1039 CG LEU A 64 5.900 -5.685 -1.810 1.00 0.00 C ATOM 1040 CD1 LEU A 64 6.316 -5.838 -3.280 1.00 0.00 C ATOM 1041 CD2 LEU A 64 4.768 -6.684 -1.602 1.00 0.00 C ATOM 0 H LEU A 64 4.937 -6.734 1.310 1.00 0.00 H new ATOM 0 HA LEU A 64 7.708 -6.010 1.148 1.00 0.00 H new ATOM 0 HB2 LEU A 64 7.829 -5.166 -1.027 1.00 0.00 H new ATOM 0 HB3 LEU A 64 7.521 -6.890 -1.087 1.00 0.00 H new ATOM 0 HG LEU A 64 5.577 -4.666 -1.596 1.00 0.00 H new ATOM 0 HD11 LEU A 64 5.454 -5.657 -3.923 1.00 0.00 H new ATOM 0 HD12 LEU A 64 7.100 -5.118 -3.513 1.00 0.00 H new ATOM 0 HD13 LEU A 64 6.689 -6.848 -3.449 1.00 0.00 H new ATOM 0 HD21 LEU A 64 3.963 -6.474 -2.306 1.00 0.00 H new ATOM 0 HD22 LEU A 64 5.140 -7.695 -1.767 1.00 0.00 H new ATOM 0 HD23 LEU A 64 4.390 -6.599 -0.583 1.00 0.00 H new ATOM 1053 N LEU A 65 6.865 -3.617 1.453 1.00 0.00 N ATOM 1054 CA LEU A 65 6.428 -2.346 2.002 1.00 0.00 C ATOM 1055 C LEU A 65 6.617 -1.296 0.909 1.00 0.00 C ATOM 1056 O LEU A 65 7.698 -1.239 0.328 1.00 0.00 O ATOM 1057 CB LEU A 65 7.299 -2.068 3.232 1.00 0.00 C ATOM 1058 CG LEU A 65 6.622 -1.185 4.283 1.00 0.00 C ATOM 1059 CD1 LEU A 65 7.653 -0.884 5.367 1.00 0.00 C ATOM 1060 CD2 LEU A 65 6.086 0.119 3.698 1.00 0.00 C ATOM 0 H LEU A 65 7.876 -3.665 1.326 1.00 0.00 H new ATOM 0 HA LEU A 65 5.382 -2.339 2.309 1.00 0.00 H new ATOM 0 HB2 LEU A 65 7.575 -3.017 3.692 1.00 0.00 H new ATOM 0 HB3 LEU A 65 8.224 -1.589 2.910 1.00 0.00 H new ATOM 0 HG LEU A 65 5.761 -1.718 4.687 1.00 0.00 H new ATOM 0 HD11 LEU A 65 7.201 -0.255 6.134 1.00 0.00 H new ATOM 0 HD12 LEU A 65 7.991 -1.818 5.817 1.00 0.00 H new ATOM 0 HD13 LEU A 65 8.504 -0.365 4.926 1.00 0.00 H new ATOM 0 HD21 LEU A 65 5.616 0.706 4.487 1.00 0.00 H new ATOM 0 HD22 LEU A 65 6.908 0.688 3.263 1.00 0.00 H new ATOM 0 HD23 LEU A 65 5.350 -0.104 2.925 1.00 0.00 H new ATOM 1072 N TYR A 66 5.576 -0.508 0.604 1.00 0.00 N ATOM 1073 CA TYR A 66 5.510 0.347 -0.573 1.00 0.00 C ATOM 1074 C TYR A 66 5.142 1.773 -0.141 1.00 0.00 C ATOM 1075 O TYR A 66 3.975 2.058 0.131 1.00 0.00 O ATOM 1076 CB TYR A 66 4.478 -0.201 -1.588 1.00 0.00 C ATOM 1077 CG TYR A 66 4.257 -1.708 -1.684 1.00 0.00 C ATOM 1078 CD1 TYR A 66 3.572 -2.378 -0.648 1.00 0.00 C ATOM 1079 CD2 TYR A 66 4.391 -2.351 -2.932 1.00 0.00 C ATOM 1080 CE1 TYR A 66 2.971 -3.622 -0.873 1.00 0.00 C ATOM 1081 CE2 TYR A 66 3.711 -3.557 -3.180 1.00 0.00 C ATOM 1082 CZ TYR A 66 2.949 -4.156 -2.166 1.00 0.00 C ATOM 1083 OH TYR A 66 2.188 -5.253 -2.433 1.00 0.00 O ATOM 0 H TYR A 66 4.741 -0.452 1.187 1.00 0.00 H new ATOM 0 HA TYR A 66 6.483 0.361 -1.063 1.00 0.00 H new ATOM 0 HB2 TYR A 66 3.516 0.258 -1.358 1.00 0.00 H new ATOM 0 HB3 TYR A 66 4.771 0.151 -2.577 1.00 0.00 H new ATOM 0 HD1 TYR A 66 3.511 -1.925 0.331 1.00 0.00 H new ATOM 0 HD2 TYR A 66 5.016 -1.917 -3.698 1.00 0.00 H new ATOM 0 HE1 TYR A 66 2.527 -4.167 -0.053 1.00 0.00 H new ATOM 0 HE2 TYR A 66 3.776 -4.022 -4.152 1.00 0.00 H new ATOM 0 HH TYR A 66 1.407 -5.261 -1.841 1.00 0.00 H new ATOM 1093 N TYR A 67 6.145 2.654 -0.042 1.00 0.00 N ATOM 1094 CA TYR A 67 5.997 3.971 0.570 1.00 0.00 C ATOM 1095 C TYR A 67 6.265 5.126 -0.394 1.00 0.00 C ATOM 1096 O TYR A 67 6.966 4.987 -1.395 1.00 0.00 O ATOM 1097 CB TYR A 67 6.870 4.086 1.832 1.00 0.00 C ATOM 1098 CG TYR A 67 8.191 3.339 1.825 1.00 0.00 C ATOM 1099 CD1 TYR A 67 9.058 3.440 0.726 1.00 0.00 C ATOM 1100 CD2 TYR A 67 8.491 2.439 2.862 1.00 0.00 C ATOM 1101 CE1 TYR A 67 10.146 2.560 0.602 1.00 0.00 C ATOM 1102 CE2 TYR A 67 9.575 1.553 2.733 1.00 0.00 C ATOM 1103 CZ TYR A 67 10.377 1.584 1.581 1.00 0.00 C ATOM 1104 OH TYR A 67 11.371 0.669 1.404 1.00 0.00 O ATOM 0 H TYR A 67 7.086 2.467 -0.388 1.00 0.00 H new ATOM 0 HA TYR A 67 4.949 4.060 0.856 1.00 0.00 H new ATOM 0 HB2 TYR A 67 7.079 5.142 2.005 1.00 0.00 H new ATOM 0 HB3 TYR A 67 6.286 3.733 2.682 1.00 0.00 H new ATOM 0 HD1 TYR A 67 8.888 4.196 -0.026 1.00 0.00 H new ATOM 0 HD2 TYR A 67 7.889 2.428 3.758 1.00 0.00 H new ATOM 0 HE1 TYR A 67 10.806 2.636 -0.250 1.00 0.00 H new ATOM 0 HE2 TYR A 67 9.791 0.847 3.521 1.00 0.00 H new ATOM 0 HH TYR A 67 11.931 0.635 2.207 1.00 0.00 H new ATOM 1114 N THR A 68 5.686 6.279 -0.049 1.00 0.00 N ATOM 1115 CA THR A 68 5.805 7.529 -0.796 1.00 0.00 C ATOM 1116 C THR A 68 5.863 8.715 0.171 1.00 0.00 C ATOM 1117 O THR A 68 5.398 8.606 1.304 1.00 0.00 O ATOM 1118 CB THR A 68 4.628 7.684 -1.772 1.00 0.00 C ATOM 1119 OG1 THR A 68 4.865 8.783 -2.628 1.00 0.00 O ATOM 1120 CG2 THR A 68 3.288 7.899 -1.067 1.00 0.00 C ATOM 0 H THR A 68 5.104 6.369 0.784 1.00 0.00 H new ATOM 0 HA THR A 68 6.728 7.506 -1.375 1.00 0.00 H new ATOM 0 HB THR A 68 4.563 6.751 -2.332 1.00 0.00 H new ATOM 0 HG1 THR A 68 5.530 8.534 -3.303 1.00 0.00 H new ATOM 0 HG21 THR A 68 2.498 8.001 -1.811 1.00 0.00 H new ATOM 0 HG22 THR A 68 3.074 7.045 -0.425 1.00 0.00 H new ATOM 0 HG23 THR A 68 3.336 8.805 -0.462 1.00 0.00 H new ATOM 1128 N GLU A 69 6.366 9.861 -0.298 1.00 0.00 N ATOM 1129 CA GLU A 69 6.394 11.113 0.448 1.00 0.00 C ATOM 1130 C GLU A 69 5.108 11.912 0.186 1.00 0.00 C ATOM 1131 O GLU A 69 5.118 12.885 -0.566 1.00 0.00 O ATOM 1132 CB GLU A 69 7.675 11.894 0.110 1.00 0.00 C ATOM 1133 CG GLU A 69 8.000 11.956 -1.390 1.00 0.00 C ATOM 1134 CD GLU A 69 9.159 12.903 -1.673 1.00 0.00 C ATOM 1135 OE1 GLU A 69 10.249 12.662 -1.112 1.00 0.00 O ATOM 1136 OE2 GLU A 69 8.957 13.830 -2.488 1.00 0.00 O ATOM 0 H GLU A 69 6.774 9.941 -1.230 1.00 0.00 H new ATOM 0 HA GLU A 69 6.422 10.912 1.519 1.00 0.00 H new ATOM 0 HB2 GLU A 69 7.578 12.911 0.491 1.00 0.00 H new ATOM 0 HB3 GLU A 69 8.514 11.436 0.633 1.00 0.00 H new ATOM 0 HG2 GLU A 69 8.248 10.958 -1.751 1.00 0.00 H new ATOM 0 HG3 GLU A 69 7.118 12.284 -1.941 1.00 0.00 H new ATOM 1143 N PHE A 70 3.988 11.497 0.798 1.00 0.00 N ATOM 1144 CA PHE A 70 2.691 12.115 0.538 1.00 0.00 C ATOM 1145 C PHE A 70 2.606 13.514 1.146 1.00 0.00 C ATOM 1146 O PHE A 70 3.052 13.736 2.268 1.00 0.00 O ATOM 1147 CB PHE A 70 1.521 11.256 1.036 1.00 0.00 C ATOM 1148 CG PHE A 70 1.114 11.482 2.477 1.00 0.00 C ATOM 1149 CD1 PHE A 70 1.941 11.009 3.500 1.00 0.00 C ATOM 1150 CD2 PHE A 70 -0.022 12.245 2.806 1.00 0.00 C ATOM 1151 CE1 PHE A 70 1.532 11.087 4.838 1.00 0.00 C ATOM 1152 CE2 PHE A 70 -0.278 12.545 4.154 1.00 0.00 C ATOM 1153 CZ PHE A 70 0.453 11.913 5.173 1.00 0.00 C ATOM 0 H PHE A 70 3.961 10.735 1.476 1.00 0.00 H new ATOM 0 HA PHE A 70 2.606 12.196 -0.546 1.00 0.00 H new ATOM 0 HB2 PHE A 70 0.657 11.445 0.399 1.00 0.00 H new ATOM 0 HB3 PHE A 70 1.785 10.206 0.912 1.00 0.00 H new ATOM 0 HD1 PHE A 70 2.902 10.580 3.257 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -0.688 12.595 2.032 1.00 0.00 H new ATOM 0 HE1 PHE A 70 2.043 10.517 5.600 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -1.041 13.266 4.408 1.00 0.00 H new ATOM 0 HZ PHE A 70 0.184 12.063 6.208 1.00 0.00 H new ATOM 1163 N THR A 71 2.004 14.437 0.399 1.00 0.00 N ATOM 1164 CA THR A 71 1.860 15.833 0.782 1.00 0.00 C ATOM 1165 C THR A 71 0.368 16.162 0.862 1.00 0.00 C ATOM 1166 O THR A 71 -0.254 16.372 -0.179 1.00 0.00 O ATOM 1167 CB THR A 71 2.574 16.722 -0.247 1.00 0.00 C ATOM 1168 OG1 THR A 71 3.907 16.286 -0.416 1.00 0.00 O ATOM 1169 CG2 THR A 71 2.585 18.174 0.241 1.00 0.00 C ATOM 0 H THR A 71 1.594 14.226 -0.511 1.00 0.00 H new ATOM 0 HA THR A 71 2.315 16.016 1.756 1.00 0.00 H new ATOM 0 HB THR A 71 2.043 16.656 -1.197 1.00 0.00 H new ATOM 0 HG1 THR A 71 4.357 16.856 -1.074 1.00 0.00 H new ATOM 0 HG21 THR A 71 3.093 18.801 -0.492 1.00 0.00 H new ATOM 0 HG22 THR A 71 1.560 18.523 0.369 1.00 0.00 H new ATOM 0 HG23 THR A 71 3.110 18.233 1.194 1.00 0.00 H new ATOM 1177 N PRO A 72 -0.233 16.199 2.060 1.00 0.00 N ATOM 1178 CA PRO A 72 -1.659 16.435 2.214 1.00 0.00 C ATOM 1179 C PRO A 72 -1.974 17.916 2.004 1.00 0.00 C ATOM 1180 O PRO A 72 -2.053 18.682 2.962 1.00 0.00 O ATOM 1181 CB PRO A 72 -1.993 15.964 3.629 1.00 0.00 C ATOM 1182 CG PRO A 72 -0.688 16.206 4.389 1.00 0.00 C ATOM 1183 CD PRO A 72 0.399 15.956 3.347 1.00 0.00 C ATOM 0 HA PRO A 72 -2.258 15.898 1.479 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -2.821 16.529 4.058 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -2.282 14.913 3.647 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -0.638 17.221 4.782 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -0.590 15.530 5.238 1.00 0.00 H new ATOM 0 HD2 PRO A 72 1.249 16.622 3.499 1.00 0.00 H new ATOM 0 HD3 PRO A 72 0.778 14.936 3.412 1.00 0.00 H new ATOM 1191 N THR A 73 -2.163 18.319 0.744 1.00 0.00 N ATOM 1192 CA THR A 73 -2.576 19.667 0.394 1.00 0.00 C ATOM 1193 C THR A 73 -4.057 19.839 0.740 1.00 0.00 C ATOM 1194 O THR A 73 -4.937 19.557 -0.072 1.00 0.00 O ATOM 1195 CB THR A 73 -2.279 19.953 -1.083 1.00 0.00 C ATOM 1196 OG1 THR A 73 -2.703 18.879 -1.896 1.00 0.00 O ATOM 1197 CG2 THR A 73 -0.781 20.171 -1.315 1.00 0.00 C ATOM 0 H THR A 73 -2.031 17.709 -0.063 1.00 0.00 H new ATOM 0 HA THR A 73 -2.008 20.397 0.970 1.00 0.00 H new ATOM 0 HB THR A 73 -2.824 20.859 -1.349 1.00 0.00 H new ATOM 0 HG1 THR A 73 -2.506 19.082 -2.834 1.00 0.00 H new ATOM 0 HG21 THR A 73 -0.602 20.372 -2.371 1.00 0.00 H new ATOM 0 HG22 THR A 73 -0.441 21.020 -0.722 1.00 0.00 H new ATOM 0 HG23 THR A 73 -0.233 19.277 -1.017 1.00 0.00 H new ATOM 1205 N GLU A 74 -4.304 20.304 1.969 1.00 0.00 N ATOM 1206 CA GLU A 74 -5.610 20.623 2.524 1.00 0.00 C ATOM 1207 C GLU A 74 -6.531 19.398 2.539 1.00 0.00 C ATOM 1208 O GLU A 74 -6.545 18.654 3.517 1.00 0.00 O ATOM 1209 CB GLU A 74 -6.231 21.848 1.826 1.00 0.00 C ATOM 1210 CG GLU A 74 -5.439 23.143 2.062 1.00 0.00 C ATOM 1211 CD GLU A 74 -4.091 23.168 1.344 1.00 0.00 C ATOM 1212 OE1 GLU A 74 -4.094 22.972 0.110 1.00 0.00 O ATOM 1213 OE2 GLU A 74 -3.078 23.377 2.047 1.00 0.00 O ATOM 0 H GLU A 74 -3.551 20.475 2.635 1.00 0.00 H new ATOM 0 HA GLU A 74 -5.476 20.906 3.568 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -6.291 21.656 0.755 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -7.252 21.983 2.183 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -6.036 23.992 1.728 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -5.275 23.270 3.132 1.00 0.00 H new ATOM 1220 N LYS A 75 -7.321 19.211 1.474 1.00 0.00 N ATOM 1221 CA LYS A 75 -8.321 18.156 1.354 1.00 0.00 C ATOM 1222 C LYS A 75 -7.790 16.956 0.555 1.00 0.00 C ATOM 1223 O LYS A 75 -8.522 15.982 0.389 1.00 0.00 O ATOM 1224 CB LYS A 75 -9.592 18.732 0.701 1.00 0.00 C ATOM 1225 CG LYS A 75 -10.536 19.458 1.674 1.00 0.00 C ATOM 1226 CD LYS A 75 -9.910 20.691 2.341 1.00 0.00 C ATOM 1227 CE LYS A 75 -10.909 21.468 3.208 1.00 0.00 C ATOM 1228 NZ LYS A 75 -11.953 22.135 2.408 1.00 0.00 N ATOM 0 H LYS A 75 -7.276 19.811 0.650 1.00 0.00 H new ATOM 0 HA LYS A 75 -8.560 17.790 2.352 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -9.298 19.426 -0.086 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -10.139 17.920 0.222 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -11.433 19.764 1.135 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -10.852 18.759 2.448 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -9.068 20.377 2.958 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -9.512 21.352 1.571 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -11.379 20.785 3.915 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -10.373 22.214 3.794 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -12.530 22.740 3.026 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -11.507 22.718 1.671 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -12.560 21.418 1.962 1.00 0.00 H new ATOM 1242 N ASP A 76 -6.545 17.003 0.058 1.00 0.00 N ATOM 1243 CA ASP A 76 -5.992 15.944 -0.777 1.00 0.00 C ATOM 1244 C ASP A 76 -5.821 14.651 0.030 1.00 0.00 C ATOM 1245 O ASP A 76 -4.904 14.543 0.845 1.00 0.00 O ATOM 1246 CB ASP A 76 -4.692 16.427 -1.427 1.00 0.00 C ATOM 1247 CG ASP A 76 -4.292 15.587 -2.631 1.00 0.00 C ATOM 1248 OD1 ASP A 76 -4.090 14.369 -2.444 1.00 0.00 O ATOM 1249 OD2 ASP A 76 -4.156 16.175 -3.726 1.00 0.00 O ATOM 0 H ASP A 76 -5.901 17.776 0.227 1.00 0.00 H new ATOM 0 HA ASP A 76 -6.686 15.706 -1.583 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -4.809 17.466 -1.736 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -3.890 16.402 -0.689 1.00 0.00 H new ATOM 1254 N GLU A 77 -6.723 13.684 -0.193 1.00 0.00 N ATOM 1255 CA GLU A 77 -6.710 12.375 0.450 1.00 0.00 C ATOM 1256 C GLU A 77 -5.921 11.404 -0.430 1.00 0.00 C ATOM 1257 O GLU A 77 -5.920 11.541 -1.652 1.00 0.00 O ATOM 1258 CB GLU A 77 -8.147 11.890 0.711 1.00 0.00 C ATOM 1259 CG GLU A 77 -8.158 10.543 1.454 1.00 0.00 C ATOM 1260 CD GLU A 77 -9.547 10.158 1.955 1.00 0.00 C ATOM 1261 OE1 GLU A 77 -10.445 10.017 1.098 1.00 0.00 O ATOM 1262 OE2 GLU A 77 -9.681 9.987 3.188 1.00 0.00 O ATOM 0 H GLU A 77 -7.500 13.800 -0.844 1.00 0.00 H new ATOM 0 HA GLU A 77 -6.220 12.435 1.422 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -8.683 12.636 1.298 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -8.676 11.789 -0.236 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -7.787 9.763 0.789 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -7.472 10.594 2.300 1.00 0.00 H new ATOM 1269 N TYR A 78 -5.239 10.444 0.206 1.00 0.00 N ATOM 1270 CA TYR A 78 -4.392 9.441 -0.427 1.00 0.00 C ATOM 1271 C TYR A 78 -4.969 8.054 -0.136 1.00 0.00 C ATOM 1272 O TYR A 78 -5.611 7.848 0.893 1.00 0.00 O ATOM 1273 CB TYR A 78 -2.940 9.575 0.057 1.00 0.00 C ATOM 1274 CG TYR A 78 -2.182 10.774 -0.493 1.00 0.00 C ATOM 1275 CD1 TYR A 78 -2.574 12.078 -0.140 1.00 0.00 C ATOM 1276 CD2 TYR A 78 -1.084 10.594 -1.355 1.00 0.00 C ATOM 1277 CE1 TYR A 78 -1.918 13.192 -0.688 1.00 0.00 C ATOM 1278 CE2 TYR A 78 -0.395 11.716 -1.858 1.00 0.00 C ATOM 1279 CZ TYR A 78 -0.807 13.013 -1.524 1.00 0.00 C ATOM 1280 OH TYR A 78 -0.138 14.089 -2.033 1.00 0.00 O ATOM 0 H TYR A 78 -5.268 10.346 1.221 1.00 0.00 H new ATOM 0 HA TYR A 78 -4.377 9.592 -1.506 1.00 0.00 H new ATOM 0 HB2 TYR A 78 -2.941 9.634 1.145 1.00 0.00 H new ATOM 0 HB3 TYR A 78 -2.399 8.668 -0.213 1.00 0.00 H new ATOM 0 HD1 TYR A 78 -3.386 12.223 0.558 1.00 0.00 H new ATOM 0 HD2 TYR A 78 -0.770 9.598 -1.630 1.00 0.00 H new ATOM 0 HE1 TYR A 78 -2.270 14.188 -0.465 1.00 0.00 H new ATOM 0 HE2 TYR A 78 0.457 11.575 -2.506 1.00 0.00 H new ATOM 0 HH TYR A 78 -0.191 14.836 -1.401 1.00 0.00 H new ATOM 1290 N ALA A 79 -4.758 7.108 -1.059 1.00 0.00 N ATOM 1291 CA ALA A 79 -5.284 5.755 -0.959 1.00 0.00 C ATOM 1292 C ALA A 79 -4.333 4.766 -1.623 1.00 0.00 C ATOM 1293 O ALA A 79 -3.557 5.148 -2.497 1.00 0.00 O ATOM 1294 CB ALA A 79 -6.672 5.693 -1.606 1.00 0.00 C ATOM 0 H ALA A 79 -4.210 7.270 -1.904 1.00 0.00 H new ATOM 0 HA ALA A 79 -5.375 5.482 0.092 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -7.064 4.679 -1.530 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -7.344 6.381 -1.093 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -6.597 5.975 -2.656 1.00 0.00 H new ATOM 1300 N CYS A 80 -4.403 3.499 -1.197 1.00 0.00 N ATOM 1301 CA CYS A 80 -3.579 2.413 -1.705 1.00 0.00 C ATOM 1302 C CYS A 80 -4.457 1.478 -2.528 1.00 0.00 C ATOM 1303 O CYS A 80 -5.371 0.852 -1.991 1.00 0.00 O ATOM 1304 CB CYS A 80 -2.940 1.653 -0.537 1.00 0.00 C ATOM 1305 SG CYS A 80 -1.852 2.653 0.509 1.00 0.00 S ATOM 0 H CYS A 80 -5.054 3.201 -0.470 1.00 0.00 H new ATOM 0 HA CYS A 80 -2.782 2.812 -2.332 1.00 0.00 H new ATOM 0 HB2 CYS A 80 -3.732 1.233 0.083 1.00 0.00 H new ATOM 0 HB3 CYS A 80 -2.369 0.815 -0.936 1.00 0.00 H new ATOM 1310 N ARG A 81 -4.159 1.358 -3.824 1.00 0.00 N ATOM 1311 CA ARG A 81 -4.707 0.290 -4.647 1.00 0.00 C ATOM 1312 C ARG A 81 -4.014 -1.013 -4.245 1.00 0.00 C ATOM 1313 O ARG A 81 -2.825 -0.985 -3.942 1.00 0.00 O ATOM 1314 CB ARG A 81 -4.502 0.630 -6.127 1.00 0.00 C ATOM 1315 CG ARG A 81 -4.998 -0.523 -7.006 1.00 0.00 C ATOM 1316 CD ARG A 81 -5.067 -0.164 -8.492 1.00 0.00 C ATOM 1317 NE ARG A 81 -6.051 0.897 -8.747 1.00 0.00 N ATOM 1318 CZ ARG A 81 -5.791 2.182 -9.042 1.00 0.00 C ATOM 1319 NH1 ARG A 81 -4.538 2.632 -9.207 1.00 0.00 N ATOM 1320 NH2 ARG A 81 -6.818 3.033 -9.173 1.00 0.00 N ATOM 0 H ARG A 81 -3.537 1.994 -4.323 1.00 0.00 H new ATOM 0 HA ARG A 81 -5.780 0.174 -4.494 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -5.040 1.545 -6.376 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -3.446 0.818 -6.322 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -4.337 -1.380 -6.877 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -5.987 -0.830 -6.667 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -4.084 0.160 -8.835 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -5.329 -1.051 -9.069 1.00 0.00 H new ATOM 0 HE ARG A 81 -7.034 0.630 -8.695 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -3.749 1.993 -9.109 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -4.374 3.614 -9.431 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -7.774 2.701 -9.049 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -6.643 4.013 -9.397 1.00 0.00 H new ATOM 1334 N VAL A 82 -4.736 -2.142 -4.218 1.00 0.00 N ATOM 1335 CA VAL A 82 -4.161 -3.444 -3.933 1.00 0.00 C ATOM 1336 C VAL A 82 -4.722 -4.450 -4.938 1.00 0.00 C ATOM 1337 O VAL A 82 -5.925 -4.704 -4.943 1.00 0.00 O ATOM 1338 CB VAL A 82 -4.450 -3.849 -2.478 1.00 0.00 C ATOM 1339 CG1 VAL A 82 -3.726 -5.161 -2.177 1.00 0.00 C ATOM 1340 CG2 VAL A 82 -3.971 -2.781 -1.483 1.00 0.00 C ATOM 0 H VAL A 82 -5.740 -2.167 -4.396 1.00 0.00 H new ATOM 0 HA VAL A 82 -3.076 -3.416 -4.038 1.00 0.00 H new ATOM 0 HB VAL A 82 -5.528 -3.960 -2.365 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -3.924 -5.458 -1.147 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -4.083 -5.937 -2.854 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -2.653 -5.025 -2.315 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -4.194 -3.105 -0.466 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -2.896 -2.639 -1.591 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -4.483 -1.840 -1.684 1.00 0.00 H new ATOM 1350 N ASN A 83 -3.849 -5.002 -5.791 1.00 0.00 N ATOM 1351 CA ASN A 83 -4.200 -5.951 -6.841 1.00 0.00 C ATOM 1352 C ASN A 83 -3.333 -7.205 -6.683 1.00 0.00 C ATOM 1353 O ASN A 83 -2.452 -7.433 -7.508 1.00 0.00 O ATOM 1354 CB ASN A 83 -3.904 -5.344 -8.223 1.00 0.00 C ATOM 1355 CG ASN A 83 -4.647 -4.064 -8.581 1.00 0.00 C ATOM 1356 OD1 ASN A 83 -5.340 -3.471 -7.760 1.00 0.00 O ATOM 1357 ND2 ASN A 83 -4.488 -3.629 -9.831 1.00 0.00 N ATOM 0 H ASN A 83 -2.852 -4.791 -5.764 1.00 0.00 H new ATOM 0 HA ASN A 83 -5.260 -6.192 -6.761 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -2.834 -5.145 -8.285 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -4.133 -6.094 -8.980 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -4.951 -2.773 -10.136 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -3.903 -4.152 -10.482 1.00 0.00 H new ATOM 1364 N HIS A 84 -3.554 -8.036 -5.655 1.00 0.00 N ATOM 1365 CA HIS A 84 -2.847 -9.312 -5.582 1.00 0.00 C ATOM 1366 C HIS A 84 -3.486 -10.219 -6.639 1.00 0.00 C ATOM 1367 O HIS A 84 -4.667 -10.061 -6.952 1.00 0.00 O ATOM 1368 CB HIS A 84 -2.998 -9.936 -4.194 1.00 0.00 C ATOM 1369 CG HIS A 84 -2.259 -11.245 -4.066 1.00 0.00 C ATOM 1370 ND1 HIS A 84 -2.943 -12.456 -4.046 1.00 0.00 N ATOM 1371 CD2 HIS A 84 -0.914 -11.503 -4.032 1.00 0.00 C ATOM 1372 CE1 HIS A 84 -1.994 -13.390 -3.975 1.00 0.00 C ATOM 1373 NE2 HIS A 84 -0.757 -12.872 -3.987 1.00 0.00 N ATOM 0 H HIS A 84 -4.198 -7.852 -4.886 1.00 0.00 H new ATOM 0 HA HIS A 84 -1.780 -9.177 -5.761 1.00 0.00 H new ATOM 0 HB2 HIS A 84 -2.627 -9.238 -3.443 1.00 0.00 H new ATOM 0 HB3 HIS A 84 -4.055 -10.097 -3.985 1.00 0.00 H new ATOM 0 HD2 HIS A 84 -0.122 -10.769 -4.039 1.00 0.00 H new ATOM 0 HE1 HIS A 84 -2.199 -14.449 -3.914 1.00 0.00 H new ATOM 0 HE2 HIS A 84 0.123 -13.387 -3.967 1.00 0.00 H new ATOM 1381 N VAL A 85 -2.732 -11.178 -7.180 1.00 0.00 N ATOM 1382 CA VAL A 85 -3.257 -12.112 -8.169 1.00 0.00 C ATOM 1383 C VAL A 85 -4.554 -12.794 -7.708 1.00 0.00 C ATOM 1384 O VAL A 85 -5.462 -12.978 -8.517 1.00 0.00 O ATOM 1385 CB VAL A 85 -2.169 -13.106 -8.607 1.00 0.00 C ATOM 1386 CG1 VAL A 85 -1.628 -13.964 -7.458 1.00 0.00 C ATOM 1387 CG2 VAL A 85 -2.679 -14.019 -9.729 1.00 0.00 C ATOM 0 H VAL A 85 -1.750 -11.326 -6.946 1.00 0.00 H new ATOM 0 HA VAL A 85 -3.541 -11.539 -9.052 1.00 0.00 H new ATOM 0 HB VAL A 85 -1.343 -12.495 -8.971 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -0.864 -14.642 -7.839 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -1.192 -13.318 -6.696 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -2.442 -14.543 -7.021 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -1.890 -14.713 -10.021 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -3.544 -14.581 -9.376 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -2.966 -13.413 -10.589 1.00 0.00 H new ATOM 1397 N THR A 86 -4.661 -13.140 -6.418 1.00 0.00 N ATOM 1398 CA THR A 86 -5.823 -13.845 -5.888 1.00 0.00 C ATOM 1399 C THR A 86 -7.012 -12.914 -5.623 1.00 0.00 C ATOM 1400 O THR A 86 -8.147 -13.387 -5.634 1.00 0.00 O ATOM 1401 CB THR A 86 -5.435 -14.730 -4.694 1.00 0.00 C ATOM 1402 OG1 THR A 86 -6.142 -15.950 -4.763 1.00 0.00 O ATOM 1403 CG2 THR A 86 -5.694 -14.108 -3.325 1.00 0.00 C ATOM 0 H THR A 86 -3.945 -12.938 -5.720 1.00 0.00 H new ATOM 0 HA THR A 86 -6.184 -14.523 -6.662 1.00 0.00 H new ATOM 0 HB THR A 86 -4.357 -14.870 -4.777 1.00 0.00 H new ATOM 0 HG1 THR A 86 -5.691 -16.555 -5.388 1.00 0.00 H new ATOM 0 HG21 THR A 86 -5.389 -14.806 -2.545 1.00 0.00 H new ATOM 0 HG22 THR A 86 -5.122 -13.185 -3.230 1.00 0.00 H new ATOM 0 HG23 THR A 86 -6.756 -13.888 -3.220 1.00 0.00 H new ATOM 1411 N LEU A 87 -6.787 -11.603 -5.428 1.00 0.00 N ATOM 1412 CA LEU A 87 -7.886 -10.645 -5.390 1.00 0.00 C ATOM 1413 C LEU A 87 -8.612 -10.647 -6.730 1.00 0.00 C ATOM 1414 O LEU A 87 -9.837 -10.748 -6.757 1.00 0.00 O ATOM 1415 CB LEU A 87 -7.372 -9.230 -5.091 1.00 0.00 C ATOM 1416 CG LEU A 87 -7.514 -8.821 -3.623 1.00 0.00 C ATOM 1417 CD1 LEU A 87 -6.930 -9.843 -2.646 1.00 0.00 C ATOM 1418 CD2 LEU A 87 -6.813 -7.474 -3.425 1.00 0.00 C ATOM 0 H LEU A 87 -5.862 -11.194 -5.296 1.00 0.00 H new ATOM 0 HA LEU A 87 -8.571 -10.940 -4.595 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -6.322 -9.167 -5.377 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -7.915 -8.517 -5.712 1.00 0.00 H new ATOM 0 HG LEU A 87 -8.580 -8.757 -3.404 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -7.066 -9.488 -1.624 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -7.441 -10.798 -2.769 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -5.867 -9.972 -2.847 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -6.904 -7.166 -2.383 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -5.759 -7.571 -3.684 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -7.277 -6.725 -4.067 1.00 0.00 H new ATOM 1430 N SER A 88 -7.854 -10.489 -7.823 1.00 0.00 N ATOM 1431 CA SER A 88 -8.353 -10.361 -9.189 1.00 0.00 C ATOM 1432 C SER A 88 -8.958 -8.976 -9.450 1.00 0.00 C ATOM 1433 O SER A 88 -8.708 -8.391 -10.502 1.00 0.00 O ATOM 1434 CB SER A 88 -9.325 -11.489 -9.567 1.00 0.00 C ATOM 1435 OG SER A 88 -8.798 -12.750 -9.206 1.00 0.00 O ATOM 0 H SER A 88 -6.836 -10.446 -7.772 1.00 0.00 H new ATOM 0 HA SER A 88 -7.488 -10.463 -9.844 1.00 0.00 H new ATOM 0 HB2 SER A 88 -10.281 -11.333 -9.067 1.00 0.00 H new ATOM 0 HB3 SER A 88 -9.518 -11.464 -10.640 1.00 0.00 H new ATOM 0 HG SER A 88 -9.434 -13.453 -9.454 1.00 0.00 H new ATOM 1441 N GLN A 89 -9.746 -8.452 -8.500 1.00 0.00 N ATOM 1442 CA GLN A 89 -10.369 -7.138 -8.576 1.00 0.00 C ATOM 1443 C GLN A 89 -9.527 -6.156 -7.755 1.00 0.00 C ATOM 1444 O GLN A 89 -9.044 -6.529 -6.688 1.00 0.00 O ATOM 1445 CB GLN A 89 -11.800 -7.203 -8.031 1.00 0.00 C ATOM 1446 CG GLN A 89 -12.696 -8.093 -8.901 1.00 0.00 C ATOM 1447 CD GLN A 89 -14.134 -8.105 -8.390 1.00 0.00 C ATOM 1448 OE1 GLN A 89 -14.585 -9.093 -7.815 1.00 0.00 O ATOM 1449 NE2 GLN A 89 -14.862 -7.007 -8.601 1.00 0.00 N ATOM 0 H GLN A 89 -9.969 -8.950 -7.638 1.00 0.00 H new ATOM 0 HA GLN A 89 -10.417 -6.804 -9.613 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -11.784 -7.588 -7.011 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -12.219 -6.198 -7.986 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -12.677 -7.735 -9.930 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -12.303 -9.110 -8.910 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -14.451 -6.207 -9.082 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -15.830 -6.967 -8.281 1.00 0.00 H new ATOM 1458 N PRO A 90 -9.333 -4.913 -8.222 1.00 0.00 N ATOM 1459 CA PRO A 90 -8.480 -3.950 -7.549 1.00 0.00 C ATOM 1460 C PRO A 90 -9.159 -3.454 -6.270 1.00 0.00 C ATOM 1461 O PRO A 90 -10.074 -2.634 -6.326 1.00 0.00 O ATOM 1462 CB PRO A 90 -8.262 -2.831 -8.575 1.00 0.00 C ATOM 1463 CG PRO A 90 -9.537 -2.867 -9.417 1.00 0.00 C ATOM 1464 CD PRO A 90 -9.869 -4.359 -9.455 1.00 0.00 C ATOM 0 HA PRO A 90 -7.526 -4.369 -7.230 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -8.127 -1.863 -8.091 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -7.375 -3.010 -9.182 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -10.339 -2.285 -8.963 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -9.375 -2.462 -10.416 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -10.945 -4.519 -9.521 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -9.422 -4.838 -10.326 1.00 0.00 H new ATOM 1472 N LYS A 91 -8.717 -3.966 -5.114 1.00 0.00 N ATOM 1473 CA LYS A 91 -9.313 -3.661 -3.824 1.00 0.00 C ATOM 1474 C LYS A 91 -8.658 -2.394 -3.282 1.00 0.00 C ATOM 1475 O LYS A 91 -7.581 -2.453 -2.691 1.00 0.00 O ATOM 1476 CB LYS A 91 -9.139 -4.856 -2.874 1.00 0.00 C ATOM 1477 CG LYS A 91 -9.911 -4.696 -1.555 1.00 0.00 C ATOM 1478 CD LYS A 91 -11.417 -4.931 -1.737 1.00 0.00 C ATOM 1479 CE LYS A 91 -12.158 -4.751 -0.407 1.00 0.00 C ATOM 1480 NZ LYS A 91 -13.594 -5.050 -0.546 1.00 0.00 N ATOM 0 H LYS A 91 -7.927 -4.609 -5.057 1.00 0.00 H new ATOM 0 HA LYS A 91 -10.384 -3.484 -3.921 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -9.474 -5.763 -3.376 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -8.079 -4.986 -2.654 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -9.521 -5.399 -0.819 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -9.746 -3.695 -1.158 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -11.812 -4.234 -2.476 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -11.589 -5.936 -2.122 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -11.720 -5.406 0.347 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -12.031 -3.728 -0.053 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -14.066 -4.919 0.371 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -14.016 -4.409 -1.248 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -13.715 -6.034 -0.860 1.00 0.00 H new ATOM 1494 N ILE A 92 -9.305 -1.244 -3.492 1.00 0.00 N ATOM 1495 CA ILE A 92 -8.775 0.027 -3.036 1.00 0.00 C ATOM 1496 C ILE A 92 -9.042 0.153 -1.536 1.00 0.00 C ATOM 1497 O ILE A 92 -10.191 0.064 -1.107 1.00 0.00 O ATOM 1498 CB ILE A 92 -9.387 1.207 -3.813 1.00 0.00 C ATOM 1499 CG1 ILE A 92 -9.577 0.953 -5.320 1.00 0.00 C ATOM 1500 CG2 ILE A 92 -8.506 2.442 -3.583 1.00 0.00 C ATOM 1501 CD1 ILE A 92 -8.306 0.504 -6.042 1.00 0.00 C ATOM 0 H ILE A 92 -10.199 -1.176 -3.978 1.00 0.00 H new ATOM 0 HA ILE A 92 -7.701 0.058 -3.222 1.00 0.00 H new ATOM 0 HB ILE A 92 -10.396 1.357 -3.428 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -10.347 0.193 -5.455 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -9.945 1.866 -5.788 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -8.921 3.291 -4.125 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -8.473 2.672 -2.518 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -7.497 2.241 -3.942 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -8.524 0.346 -7.098 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -7.539 1.272 -5.940 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -7.948 -0.427 -5.603 1.00 0.00 H new ATOM 1513 N VAL A 93 -7.981 0.354 -0.749 1.00 0.00 N ATOM 1514 CA VAL A 93 -8.050 0.610 0.682 1.00 0.00 C ATOM 1515 C VAL A 93 -7.490 2.011 0.912 1.00 0.00 C ATOM 1516 O VAL A 93 -6.304 2.243 0.680 1.00 0.00 O ATOM 1517 CB VAL A 93 -7.259 -0.466 1.448 1.00 0.00 C ATOM 1518 CG1 VAL A 93 -7.201 -0.154 2.950 1.00 0.00 C ATOM 1519 CG2 VAL A 93 -7.915 -1.840 1.254 1.00 0.00 C ATOM 0 H VAL A 93 -7.026 0.342 -1.106 1.00 0.00 H new ATOM 0 HA VAL A 93 -9.074 0.562 1.052 1.00 0.00 H new ATOM 0 HB VAL A 93 -6.244 -0.474 1.050 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -6.636 -0.933 3.462 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -6.713 0.809 3.103 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -8.213 -0.116 3.353 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -7.348 -2.594 1.800 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -8.937 -1.812 1.631 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -7.926 -2.091 0.193 1.00 0.00 H new ATOM 1529 N LYS A 94 -8.341 2.948 1.353 1.00 0.00 N ATOM 1530 CA LYS A 94 -7.897 4.306 1.621 1.00 0.00 C ATOM 1531 C LYS A 94 -6.960 4.334 2.827 1.00 0.00 C ATOM 1532 O LYS A 94 -7.032 3.466 3.696 1.00 0.00 O ATOM 1533 CB LYS A 94 -9.078 5.282 1.768 1.00 0.00 C ATOM 1534 CG LYS A 94 -9.637 5.393 3.195 1.00 0.00 C ATOM 1535 CD LYS A 94 -10.699 6.499 3.279 1.00 0.00 C ATOM 1536 CE LYS A 94 -10.831 7.033 4.712 1.00 0.00 C ATOM 1537 NZ LYS A 94 -9.697 7.903 5.085 1.00 0.00 N ATOM 0 H LYS A 94 -9.332 2.784 1.528 1.00 0.00 H new ATOM 0 HA LYS A 94 -7.331 4.653 0.757 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -8.759 6.271 1.438 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -9.880 4.966 1.101 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -10.073 4.440 3.495 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -8.827 5.606 3.892 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -10.432 7.315 2.607 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -11.660 6.110 2.943 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -11.762 7.591 4.807 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -10.889 6.195 5.407 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -9.781 8.173 6.086 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -8.804 7.391 4.939 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -9.706 8.758 4.493 1.00 0.00 H new ATOM 1551 N TRP A 95 -6.120 5.368 2.899 1.00 0.00 N ATOM 1552 CA TRP A 95 -5.352 5.664 4.093 1.00 0.00 C ATOM 1553 C TRP A 95 -6.236 6.431 5.074 1.00 0.00 C ATOM 1554 O TRP A 95 -6.872 7.414 4.695 1.00 0.00 O ATOM 1555 CB TRP A 95 -4.135 6.509 3.715 1.00 0.00 C ATOM 1556 CG TRP A 95 -3.455 7.207 4.852 1.00 0.00 C ATOM 1557 CD1 TRP A 95 -3.017 6.653 6.004 1.00 0.00 C ATOM 1558 CD2 TRP A 95 -3.195 8.630 4.976 1.00 0.00 C ATOM 1559 NE1 TRP A 95 -2.532 7.635 6.844 1.00 0.00 N ATOM 1560 CE2 TRP A 95 -2.665 8.886 6.273 1.00 0.00 C ATOM 1561 CE3 TRP A 95 -3.350 9.727 4.107 1.00 0.00 C ATOM 1562 CZ2 TRP A 95 -2.371 10.191 6.708 1.00 0.00 C ATOM 1563 CZ3 TRP A 95 -2.999 11.024 4.509 1.00 0.00 C ATOM 1564 CH2 TRP A 95 -2.568 11.262 5.825 1.00 0.00 C ATOM 0 H TRP A 95 -5.959 6.018 2.129 1.00 0.00 H new ATOM 0 HA TRP A 95 -5.012 4.739 4.559 1.00 0.00 H new ATOM 0 HB2 TRP A 95 -3.408 5.866 3.220 1.00 0.00 H new ATOM 0 HB3 TRP A 95 -4.447 7.258 2.987 1.00 0.00 H new ATOM 0 HD1 TRP A 95 -3.043 5.598 6.234 1.00 0.00 H new ATOM 0 HE1 TRP A 95 -2.129 7.460 7.764 1.00 0.00 H new ATOM 0 HE3 TRP A 95 -3.746 9.567 3.115 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 -1.999 10.365 7.707 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 -3.060 11.841 3.806 1.00 0.00 H new ATOM 0 HH2 TRP A 95 -2.388 12.274 6.158 1.00 0.00 H new ATOM 1575 N ASP A 96 -6.221 6.012 6.342 1.00 0.00 N ATOM 1576 CA ASP A 96 -6.610 6.841 7.470 1.00 0.00 C ATOM 1577 C ASP A 96 -5.432 6.849 8.446 1.00 0.00 C ATOM 1578 O ASP A 96 -4.720 5.852 8.539 1.00 0.00 O ATOM 1579 CB ASP A 96 -7.896 6.293 8.097 1.00 0.00 C ATOM 1580 CG ASP A 96 -8.428 7.199 9.201 1.00 0.00 C ATOM 1581 OD1 ASP A 96 -8.714 8.373 8.881 1.00 0.00 O ATOM 1582 OD2 ASP A 96 -8.548 6.705 10.343 1.00 0.00 O ATOM 0 H ASP A 96 -5.933 5.071 6.611 1.00 0.00 H new ATOM 0 HA ASP A 96 -6.830 7.865 7.169 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -8.656 6.180 7.324 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -7.706 5.300 8.504 1.00 0.00 H new ATOM 1587 N ARG A 97 -5.211 7.995 9.107 1.00 0.00 N ATOM 1588 CA ARG A 97 -4.082 8.328 9.981 1.00 0.00 C ATOM 1589 C ARG A 97 -3.230 7.132 10.430 1.00 0.00 C ATOM 1590 O ARG A 97 -2.196 6.848 9.822 1.00 0.00 O ATOM 1591 CB ARG A 97 -4.564 9.191 11.161 1.00 0.00 C ATOM 1592 CG ARG A 97 -5.848 8.673 11.836 1.00 0.00 C ATOM 1593 CD ARG A 97 -7.024 9.621 11.590 1.00 0.00 C ATOM 1594 NE ARG A 97 -8.277 9.012 12.050 1.00 0.00 N ATOM 1595 CZ ARG A 97 -9.505 9.487 11.793 1.00 0.00 C ATOM 1596 NH1 ARG A 97 -9.670 10.677 11.199 1.00 0.00 N ATOM 1597 NH2 ARG A 97 -10.576 8.757 12.133 1.00 0.00 N ATOM 0 H ARG A 97 -5.869 8.771 9.037 1.00 0.00 H new ATOM 0 HA ARG A 97 -3.390 8.912 9.374 1.00 0.00 H new ATOM 0 HB2 ARG A 97 -3.770 9.244 11.906 1.00 0.00 H new ATOM 0 HB3 ARG A 97 -4.737 10.207 10.807 1.00 0.00 H new ATOM 0 HG2 ARG A 97 -6.090 7.682 11.451 1.00 0.00 H new ATOM 0 HG3 ARG A 97 -5.681 8.567 12.908 1.00 0.00 H new ATOM 0 HD2 ARG A 97 -6.856 10.562 12.113 1.00 0.00 H new ATOM 0 HD3 ARG A 97 -7.095 9.855 10.528 1.00 0.00 H new ATOM 0 HE ARG A 97 -8.209 8.161 12.609 1.00 0.00 H new ATOM 0 HH11 ARG A 97 -8.856 11.233 10.937 1.00 0.00 H new ATOM 0 HH12 ARG A 97 -10.609 11.026 11.009 1.00 0.00 H new ATOM 0 HH21 ARG A 97 -10.453 7.850 12.583 1.00 0.00 H new ATOM 0 HH22 ARG A 97 -11.514 9.109 11.942 1.00 0.00 H new ATOM 1611 N ASP A 98 -3.668 6.448 11.491 1.00 0.00 N ATOM 1612 CA ASP A 98 -3.013 5.279 12.056 1.00 0.00 C ATOM 1613 C ASP A 98 -3.147 4.085 11.112 1.00 0.00 C ATOM 1614 O ASP A 98 -2.141 3.486 10.740 1.00 0.00 O ATOM 1615 CB ASP A 98 -3.619 4.973 13.430 1.00 0.00 C ATOM 1616 CG ASP A 98 -2.958 3.755 14.068 1.00 0.00 C ATOM 1617 OD1 ASP A 98 -1.838 3.927 14.595 1.00 0.00 O ATOM 1618 OD2 ASP A 98 -3.583 2.673 14.014 1.00 0.00 O ATOM 0 H ASP A 98 -4.518 6.707 11.993 1.00 0.00 H new ATOM 0 HA ASP A 98 -1.949 5.481 12.181 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -3.500 5.838 14.083 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -4.690 4.796 13.327 1.00 0.00 H new ATOM 1623 N MET A 99 -4.383 3.748 10.724 1.00 0.00 N ATOM 1624 CA MET A 99 -4.668 2.713 9.743 1.00 0.00 C ATOM 1625 C MET A 99 -6.006 3.016 9.069 1.00 0.00 C ATOM 1626 O MET A 99 -7.008 3.108 9.813 1.00 0.00 O ATOM 1627 CB MET A 99 -4.657 1.329 10.410 1.00 0.00 C ATOM 1628 CG MET A 99 -5.019 0.219 9.414 1.00 0.00 C ATOM 1629 SD MET A 99 -4.735 -1.476 9.992 1.00 0.00 S ATOM 1630 CE MET A 99 -5.824 -1.518 11.438 1.00 0.00 C ATOM 1631 OXT MET A 99 -6.009 3.141 7.824 1.00 0.00 O ATOM 0 H MET A 99 -5.221 4.198 11.093 1.00 0.00 H new ATOM 0 HA MET A 99 -3.895 2.703 8.975 1.00 0.00 H new ATOM 0 HB2 MET A 99 -3.670 1.134 10.830 1.00 0.00 H new ATOM 0 HB3 MET A 99 -5.364 1.319 11.240 1.00 0.00 H new ATOM 0 HG2 MET A 99 -6.071 0.322 9.150 1.00 0.00 H new ATOM 0 HG3 MET A 99 -4.444 0.373 8.501 1.00 0.00 H new ATOM 0 HE1 MET A 99 -5.833 -2.524 11.858 1.00 0.00 H new ATOM 0 HE2 MET A 99 -5.460 -0.815 12.188 1.00 0.00 H new ATOM 0 HE3 MET A 99 -6.835 -1.240 11.140 1.00 0.00 H new TER 1641 MET A 99