USER MOD reduce.3.24.130724 H: found=0, std=0, add=871, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 871 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 37 TYR OH : rot -176:sc= -0.212 USER MOD Set 1.2: A 58 ASN : amide:sc= -0.162 X(o=-0.37,f=-0.53) USER MOD Set 2.1: A 30 GLN : amide:sc= 0.0416 K(o=0.12,f=-0.48) USER MOD Set 2.2: A 32 TYR OH : rot -14:sc= 0.0789 USER MOD Single : A 1 MET CE :methyl 167:sc= -0.0661 (180deg=-0.301) USER MOD Single : A 1 MET N :NH3+ -161:sc= -0.07 (180deg=-0.439) USER MOD Single : A 4 ASN : amide:sc= -0.0756 X(o=-0.076,f=-0.27) USER MOD Single : A 6 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 8 LYS NZ :NH3+ 157:sc= 0.789 (180deg=-0.22!) USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 TYR OH : rot 57:sc= 0.844 USER MOD Single : A 14 GLN :FLIP amide:sc= 0 F(o=-0.97,f=0) USER MOD Single : A 16 THR OG1 : rot 180:sc= -0.0566 USER MOD Single : A 20 LYS NZ :NH3+ -149:sc= 1.24 (180deg=1.11) USER MOD Single : A 23 HIS : no HE2:sc= 0.462 K(o=0.46,f=-1.8!) USER MOD Single : A 24 SER OG : rot -50:sc= 0.788 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 179:sc= 0.832 (180deg=0.826) USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ -177:sc= 0.796 (180deg=0.779) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0576) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 THR OG1 : rot 40:sc= 0.188 USER MOD Single : A 56 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 57 LYS NZ :NH3+ -129:sc= -1.51 (180deg=-3.94!) USER MOD Single : A 61 LYS NZ :NH3+ -165:sc= -0.0568 (180deg=-0.36) USER MOD Single : A 68 TYR OH : rot 180:sc= 0.277 USER MOD Single : A 69 HIS : no HE2:sc= 0.726 K(o=0.73,f=-2.3!) USER MOD Single : A 70 SER OG : rot -120:sc= -1.18 USER MOD Single : A 72 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.0021) USER MOD Single : A 73 LYS NZ :NH3+ -163:sc= -0.0303 (180deg=-0.292) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.007) USER MOD Single : A 83 LYS NZ :NH3+ -148:sc= 0.994 (180deg=-0.0175) USER MOD Single : A 89 LYS NZ :NH3+ 175:sc= 0.255 (180deg=0.193) USER MOD Single : A 91 LYS NZ :NH3+ -133:sc= 2.25 (180deg=0.502) USER MOD Single : A 93 LYS NZ :NH3+ -178:sc= 1.67 (180deg=1.64) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 101 HIS : no HE2:sc= -0.304 K(o=-0.3,f=-2.7!) USER MOD Single : A 102 HIS : no HD1:sc= 0.595 K(o=0.6,f=-2.2!) USER MOD Single : A 103 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 104 HIS : no HD1:sc= -0.0438 X(o=-0.044,f=-0.015) USER MOD Single : A 105 HIS : no HE2:sc= -0.059 K(o=-0.059,f=-1.3) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 14.379 4.822 -23.101 1.00 62.41 N ATOM 2 CA MET A 1 13.702 3.860 -22.184 1.00 24.12 C ATOM 3 C MET A 1 12.234 4.252 -21.971 1.00 44.54 C ATOM 4 O MET A 1 11.900 5.436 -21.944 1.00 64.52 O ATOM 5 CB MET A 1 14.435 3.807 -20.832 1.00 44.41 C ATOM 6 CG MET A 1 15.896 3.390 -20.938 1.00 50.41 C ATOM 7 SD MET A 1 16.789 3.541 -19.378 1.00 21.23 S ATOM 8 CE MET A 1 15.871 2.410 -18.332 1.00 11.21 C ATOM 0 H1 MET A 1 15.241 4.386 -23.486 1.00 62.41 H new ATOM 0 H2 MET A 1 13.737 5.068 -23.881 1.00 62.41 H new ATOM 0 H3 MET A 1 14.631 5.683 -22.576 1.00 62.41 H new ATOM 0 HA MET A 1 13.732 2.872 -22.643 1.00 24.12 H new ATOM 0 HB2 MET A 1 14.381 4.789 -20.362 1.00 44.41 H new ATOM 0 HB3 MET A 1 13.915 3.110 -20.175 1.00 44.41 H new ATOM 0 HG2 MET A 1 15.949 2.357 -21.282 1.00 50.41 H new ATOM 0 HG3 MET A 1 16.389 4.003 -21.693 1.00 50.41 H new ATOM 0 HE1 MET A 1 16.434 2.221 -17.418 1.00 11.21 H new ATOM 0 HE2 MET A 1 14.906 2.850 -18.079 1.00 11.21 H new ATOM 0 HE3 MET A 1 15.714 1.471 -18.862 1.00 11.21 H new ATOM 20 N ASP A 2 11.359 3.257 -21.816 1.00 61.13 N ATOM 21 CA ASP A 2 9.919 3.509 -21.658 1.00 10.02 C ATOM 22 C ASP A 2 9.439 3.144 -20.241 1.00 51.15 C ATOM 23 O ASP A 2 9.812 2.102 -19.704 1.00 20.33 O ATOM 24 CB ASP A 2 9.139 2.714 -22.709 1.00 62.22 C ATOM 25 CG ASP A 2 7.681 3.123 -22.769 1.00 71.03 C ATOM 26 OD1 ASP A 2 7.356 4.069 -23.516 1.00 10.33 O ATOM 27 OD2 ASP A 2 6.855 2.509 -22.066 1.00 24.32 O ATOM 0 H ASP A 2 11.618 2.271 -21.796 1.00 61.13 H new ATOM 0 HA ASP A 2 9.737 4.574 -21.803 1.00 10.02 H new ATOM 0 HB2 ASP A 2 9.597 2.861 -23.687 1.00 62.22 H new ATOM 0 HB3 ASP A 2 9.207 1.650 -22.482 1.00 62.22 H new ATOM 32 N LEU A 3 8.601 3.997 -19.649 1.00 4.43 N ATOM 33 CA LEU A 3 8.158 3.807 -18.260 1.00 54.32 C ATOM 34 C LEU A 3 7.310 2.535 -18.064 1.00 64.03 C ATOM 35 O LEU A 3 7.297 1.962 -16.976 1.00 50.34 O ATOM 36 CB LEU A 3 7.421 5.061 -17.738 1.00 33.35 C ATOM 37 CG LEU A 3 6.249 5.600 -18.591 1.00 54.52 C ATOM 38 CD1 LEU A 3 5.004 4.727 -18.463 1.00 43.45 C ATOM 39 CD2 LEU A 3 5.927 7.045 -18.205 1.00 11.22 C ATOM 0 H LEU A 3 8.215 4.824 -20.105 1.00 4.43 H new ATOM 0 HA LEU A 3 9.059 3.664 -17.664 1.00 54.32 H new ATOM 0 HB2 LEU A 3 7.039 4.838 -16.742 1.00 33.35 H new ATOM 0 HB3 LEU A 3 8.153 5.861 -17.627 1.00 33.35 H new ATOM 0 HG LEU A 3 6.564 5.572 -19.634 1.00 54.52 H new ATOM 0 HD11 LEU A 3 4.205 5.141 -19.078 1.00 43.45 H new ATOM 0 HD12 LEU A 3 5.233 3.715 -18.798 1.00 43.45 H new ATOM 0 HD13 LEU A 3 4.684 4.700 -17.421 1.00 43.45 H new ATOM 0 HD21 LEU A 3 5.100 7.409 -18.815 1.00 11.22 H new ATOM 0 HD22 LEU A 3 5.647 7.087 -17.152 1.00 11.22 H new ATOM 0 HD23 LEU A 3 6.804 7.670 -18.373 1.00 11.22 H new ATOM 51 N ASN A 4 6.621 2.076 -19.115 1.00 25.42 N ATOM 52 CA ASN A 4 5.804 0.855 -19.016 1.00 2.42 C ATOM 53 C ASN A 4 6.676 -0.405 -18.900 1.00 44.12 C ATOM 54 O ASN A 4 6.178 -1.495 -18.606 1.00 71.21 O ATOM 55 CB ASN A 4 4.851 0.730 -20.210 1.00 2.24 C ATOM 56 CG ASN A 4 3.775 1.798 -20.198 1.00 52.51 C ATOM 57 OD1 ASN A 4 3.918 2.855 -20.804 1.00 64.42 O ATOM 58 ND2 ASN A 4 2.691 1.543 -19.491 1.00 15.33 N ATOM 0 H ASN A 4 6.610 2.522 -20.032 1.00 25.42 H new ATOM 0 HA ASN A 4 5.212 0.940 -18.105 1.00 2.42 H new ATOM 0 HB2 ASN A 4 5.421 0.801 -21.136 1.00 2.24 H new ATOM 0 HB3 ASN A 4 4.383 -0.255 -20.198 1.00 2.24 H new ATOM 0 HD21 ASN A 4 1.943 2.234 -19.437 1.00 15.33 H new ATOM 0 HD22 ASN A 4 2.601 0.655 -18.998 1.00 15.33 H new ATOM 65 N ARG A 5 7.977 -0.255 -19.143 1.00 2.33 N ATOM 66 CA ARG A 5 8.936 -1.343 -18.925 1.00 60.55 C ATOM 67 C ARG A 5 9.295 -1.469 -17.439 1.00 11.41 C ATOM 68 O ARG A 5 9.635 -2.554 -16.956 1.00 42.24 O ATOM 69 CB ARG A 5 10.204 -1.118 -19.762 1.00 51.14 C ATOM 70 CG ARG A 5 9.999 -1.338 -21.256 1.00 54.12 C ATOM 71 CD ARG A 5 9.550 -2.768 -21.551 1.00 45.35 C ATOM 72 NE ARG A 5 9.525 -3.062 -22.981 1.00 51.14 N ATOM 73 CZ ARG A 5 9.523 -4.271 -23.478 1.00 63.11 C ATOM 74 NH1 ARG A 5 9.514 -5.309 -22.699 1.00 53.52 N ATOM 75 NH2 ARG A 5 9.533 -4.441 -24.757 1.00 35.34 N ATOM 0 H ARG A 5 8.394 0.608 -19.491 1.00 2.33 H new ATOM 0 HA ARG A 5 8.467 -2.274 -19.243 1.00 60.55 H new ATOM 0 HB2 ARG A 5 10.560 -0.101 -19.599 1.00 51.14 H new ATOM 0 HB3 ARG A 5 10.986 -1.790 -19.409 1.00 51.14 H new ATOM 0 HG2 ARG A 5 9.253 -0.636 -21.630 1.00 54.12 H new ATOM 0 HG3 ARG A 5 10.928 -1.129 -21.787 1.00 54.12 H new ATOM 0 HD2 ARG A 5 10.221 -3.467 -21.051 1.00 45.35 H new ATOM 0 HD3 ARG A 5 8.556 -2.927 -21.133 1.00 45.35 H new ATOM 0 HE ARG A 5 9.508 -2.276 -23.631 1.00 51.14 H new ATOM 0 HH11 ARG A 5 9.508 -5.187 -21.686 1.00 53.52 H new ATOM 0 HH12 ARG A 5 9.513 -6.247 -23.099 1.00 53.52 H new ATOM 0 HH21 ARG A 5 9.542 -3.633 -25.379 1.00 35.34 H new ATOM 0 HH22 ARG A 5 9.531 -5.384 -25.146 1.00 35.34 H new ATOM 89 N MET A 6 9.212 -0.355 -16.718 1.00 51.52 N ATOM 90 CA MET A 6 9.464 -0.348 -15.276 1.00 33.13 C ATOM 91 C MET A 6 8.169 -0.596 -14.498 1.00 22.33 C ATOM 92 O MET A 6 7.415 0.332 -14.211 1.00 24.23 O ATOM 93 CB MET A 6 10.087 0.984 -14.838 1.00 31.30 C ATOM 94 CG MET A 6 11.488 1.215 -15.391 1.00 42.00 C ATOM 95 SD MET A 6 12.659 -0.048 -14.848 1.00 64.41 S ATOM 96 CE MET A 6 14.163 0.498 -15.657 1.00 42.03 C ATOM 0 H MET A 6 8.972 0.557 -17.107 1.00 51.52 H new ATOM 0 HA MET A 6 10.166 -1.152 -15.056 1.00 33.13 H new ATOM 0 HB2 MET A 6 9.440 1.801 -15.159 1.00 31.30 H new ATOM 0 HB3 MET A 6 10.126 1.017 -13.749 1.00 31.30 H new ATOM 0 HG2 MET A 6 11.449 1.226 -16.480 1.00 42.00 H new ATOM 0 HG3 MET A 6 11.843 2.196 -15.075 1.00 42.00 H new ATOM 0 HE1 MET A 6 14.976 -0.186 -15.414 1.00 42.03 H new ATOM 0 HE2 MET A 6 14.011 0.512 -16.736 1.00 42.03 H new ATOM 0 HE3 MET A 6 14.418 1.501 -15.313 1.00 42.03 H new ATOM 106 N GLY A 7 7.911 -1.854 -14.165 1.00 74.41 N ATOM 107 CA GLY A 7 6.700 -2.196 -13.439 1.00 24.11 C ATOM 108 C GLY A 7 6.901 -3.337 -12.451 1.00 42.30 C ATOM 109 O GLY A 7 6.443 -4.457 -12.683 1.00 34.13 O ATOM 0 H GLY A 7 8.517 -2.644 -14.384 1.00 74.41 H new ATOM 0 HA2 GLY A 7 6.344 -1.317 -12.902 1.00 24.11 H new ATOM 0 HA3 GLY A 7 5.922 -2.472 -14.151 1.00 24.11 H new ATOM 113 N LYS A 8 7.613 -3.058 -11.359 1.00 71.11 N ATOM 114 CA LYS A 8 7.808 -4.039 -10.285 1.00 20.51 C ATOM 115 C LYS A 8 6.496 -4.218 -9.493 1.00 52.15 C ATOM 116 O LYS A 8 5.816 -5.237 -9.626 1.00 63.22 O ATOM 117 CB LYS A 8 8.961 -3.579 -9.363 1.00 24.34 C ATOM 118 CG LYS A 8 9.915 -4.686 -8.888 1.00 3.01 C ATOM 119 CD LYS A 8 9.362 -5.514 -7.725 1.00 74.30 C ATOM 120 CE LYS A 8 8.445 -6.641 -8.183 1.00 35.42 C ATOM 121 NZ LYS A 8 7.810 -7.331 -7.029 1.00 70.14 N ATOM 0 H LYS A 8 8.066 -2.160 -11.192 1.00 71.11 H new ATOM 0 HA LYS A 8 8.078 -5.004 -10.714 1.00 20.51 H new ATOM 0 HB2 LYS A 8 9.544 -2.824 -9.890 1.00 24.34 H new ATOM 0 HB3 LYS A 8 8.530 -3.095 -8.487 1.00 24.34 H new ATOM 0 HG2 LYS A 8 10.133 -5.350 -9.725 1.00 3.01 H new ATOM 0 HG3 LYS A 8 10.860 -4.235 -8.585 1.00 3.01 H new ATOM 0 HD2 LYS A 8 10.192 -5.936 -7.159 1.00 74.30 H new ATOM 0 HD3 LYS A 8 8.814 -4.859 -7.048 1.00 74.30 H new ATOM 0 HE2 LYS A 8 7.672 -6.239 -8.838 1.00 35.42 H new ATOM 0 HE3 LYS A 8 9.016 -7.361 -8.769 1.00 35.42 H new ATOM 0 HZ1 LYS A 8 6.936 -7.799 -7.343 1.00 70.14 H new ATOM 0 HZ2 LYS A 8 8.465 -8.042 -6.646 1.00 70.14 H new ATOM 0 HZ3 LYS A 8 7.584 -6.635 -6.290 1.00 70.14 H new ATOM 135 N ASP A 9 6.146 -3.221 -8.676 1.00 1.43 N ATOM 136 CA ASP A 9 4.855 -3.206 -7.969 1.00 15.04 C ATOM 137 C ASP A 9 4.241 -1.795 -7.995 1.00 63.32 C ATOM 138 O ASP A 9 4.788 -0.868 -7.398 1.00 31.01 O ATOM 139 CB ASP A 9 5.006 -3.643 -6.502 1.00 10.32 C ATOM 140 CG ASP A 9 5.744 -4.957 -6.330 1.00 73.11 C ATOM 141 OD1 ASP A 9 5.178 -6.021 -6.664 1.00 34.31 O ATOM 142 OD2 ASP A 9 6.899 -4.933 -5.858 1.00 51.23 O ATOM 0 H ASP A 9 6.737 -2.411 -8.485 1.00 1.43 H new ATOM 0 HA ASP A 9 4.203 -3.910 -8.486 1.00 15.04 H new ATOM 0 HB2 ASP A 9 5.536 -2.864 -5.953 1.00 10.32 H new ATOM 0 HB3 ASP A 9 4.016 -3.731 -6.055 1.00 10.32 H new ATOM 147 N GLU A 10 3.118 -1.625 -8.693 1.00 60.02 N ATOM 148 CA GLU A 10 2.394 -0.345 -8.670 1.00 33.31 C ATOM 149 C GLU A 10 1.098 -0.459 -7.846 1.00 61.11 C ATOM 150 O GLU A 10 0.159 -1.163 -8.223 1.00 61.02 O ATOM 151 CB GLU A 10 2.097 0.166 -10.095 1.00 24.11 C ATOM 152 CG GLU A 10 1.365 -0.829 -10.997 1.00 11.43 C ATOM 153 CD GLU A 10 0.916 -0.210 -12.317 1.00 22.32 C ATOM 154 OE1 GLU A 10 1.740 -0.097 -13.250 1.00 21.23 O ATOM 155 OE2 GLU A 10 -0.267 0.177 -12.427 1.00 14.51 O ATOM 0 H GLU A 10 2.691 -2.345 -9.276 1.00 60.02 H new ATOM 0 HA GLU A 10 3.041 0.387 -8.187 1.00 33.31 H new ATOM 0 HB2 GLU A 10 1.500 1.075 -10.022 1.00 24.11 H new ATOM 0 HB3 GLU A 10 3.039 0.440 -10.570 1.00 24.11 H new ATOM 0 HG2 GLU A 10 2.019 -1.676 -11.202 1.00 11.43 H new ATOM 0 HG3 GLU A 10 0.495 -1.219 -10.469 1.00 11.43 H new ATOM 162 N TYR A 11 1.065 0.223 -6.703 1.00 32.44 N ATOM 163 CA TYR A 11 -0.091 0.178 -5.799 1.00 71.03 C ATOM 164 C TYR A 11 -1.017 1.385 -6.013 1.00 54.12 C ATOM 165 O TYR A 11 -0.556 2.514 -6.178 1.00 64.11 O ATOM 166 CB TYR A 11 0.373 0.138 -4.336 1.00 43.55 C ATOM 167 CG TYR A 11 1.214 -1.079 -3.984 1.00 53.22 C ATOM 168 CD1 TYR A 11 0.617 -2.301 -3.687 1.00 72.45 C ATOM 169 CD2 TYR A 11 2.604 -1.007 -3.949 1.00 32.04 C ATOM 170 CE1 TYR A 11 1.377 -3.412 -3.366 1.00 51.23 C ATOM 171 CE2 TYR A 11 3.369 -2.114 -3.629 1.00 2.31 C ATOM 172 CZ TYR A 11 2.752 -3.313 -3.339 1.00 71.41 C ATOM 173 OH TYR A 11 3.515 -4.415 -3.021 1.00 41.12 O ATOM 0 H TYR A 11 1.827 0.817 -6.377 1.00 32.44 H new ATOM 0 HA TYR A 11 -0.650 -0.730 -6.026 1.00 71.03 H new ATOM 0 HB2 TYR A 11 0.950 1.038 -4.124 1.00 43.55 H new ATOM 0 HB3 TYR A 11 -0.503 0.161 -3.688 1.00 43.55 H new ATOM 0 HD1 TYR A 11 -0.460 -2.384 -3.707 1.00 72.45 H new ATOM 0 HD2 TYR A 11 3.093 -0.071 -4.176 1.00 32.04 H new ATOM 0 HE1 TYR A 11 0.896 -4.352 -3.138 1.00 51.23 H new ATOM 0 HE2 TYR A 11 4.446 -2.040 -3.606 1.00 2.31 H new ATOM 0 HH TYR A 11 4.465 -4.174 -3.048 1.00 41.12 H new ATOM 183 N TYR A 12 -2.326 1.138 -5.998 1.00 11.31 N ATOM 184 CA TYR A 12 -3.321 2.201 -6.179 1.00 30.41 C ATOM 185 C TYR A 12 -3.812 2.732 -4.825 1.00 21.25 C ATOM 186 O TYR A 12 -4.648 2.110 -4.164 1.00 34.55 O ATOM 187 CB TYR A 12 -4.507 1.678 -7.004 1.00 73.33 C ATOM 188 CG TYR A 12 -4.089 1.004 -8.300 1.00 13.23 C ATOM 189 CD1 TYR A 12 -3.747 1.753 -9.419 1.00 50.01 C ATOM 190 CD2 TYR A 12 -4.019 -0.383 -8.395 1.00 71.51 C ATOM 191 CE1 TYR A 12 -3.352 1.142 -10.594 1.00 74.44 C ATOM 192 CE2 TYR A 12 -3.621 -1.000 -9.565 1.00 23.12 C ATOM 193 CZ TYR A 12 -3.289 -0.233 -10.661 1.00 42.23 C ATOM 194 OH TYR A 12 -2.884 -0.846 -11.826 1.00 65.43 O ATOM 0 H TYR A 12 -2.726 0.209 -5.862 1.00 11.31 H new ATOM 0 HA TYR A 12 -2.848 3.024 -6.715 1.00 30.41 H new ATOM 0 HB2 TYR A 12 -5.075 0.969 -6.401 1.00 73.33 H new ATOM 0 HB3 TYR A 12 -5.175 2.508 -7.234 1.00 73.33 H new ATOM 0 HD1 TYR A 12 -3.791 2.831 -9.370 1.00 50.01 H new ATOM 0 HD2 TYR A 12 -4.280 -0.987 -7.539 1.00 71.51 H new ATOM 0 HE1 TYR A 12 -3.094 1.739 -11.456 1.00 74.44 H new ATOM 0 HE2 TYR A 12 -3.570 -2.077 -9.621 1.00 23.12 H new ATOM 0 HH TYR A 12 -1.998 -0.513 -12.080 1.00 65.43 H new ATOM 204 N VAL A 13 -3.276 3.875 -4.408 1.00 15.13 N ATOM 205 CA VAL A 13 -3.667 4.508 -3.139 1.00 61.45 C ATOM 206 C VAL A 13 -4.184 5.936 -3.366 1.00 43.05 C ATOM 207 O VAL A 13 -3.747 6.621 -4.289 1.00 5.13 O ATOM 208 CB VAL A 13 -2.486 4.548 -2.136 1.00 3.25 C ATOM 209 CG1 VAL A 13 -2.045 3.133 -1.766 1.00 12.33 C ATOM 210 CG2 VAL A 13 -1.314 5.349 -2.704 1.00 64.25 C ATOM 0 H VAL A 13 -2.566 4.389 -4.929 1.00 15.13 H new ATOM 0 HA VAL A 13 -4.467 3.899 -2.718 1.00 61.45 H new ATOM 0 HB VAL A 13 -2.828 5.048 -1.230 1.00 3.25 H new ATOM 0 HG11 VAL A 13 -1.215 3.183 -1.061 1.00 12.33 H new ATOM 0 HG12 VAL A 13 -2.878 2.600 -1.308 1.00 12.33 H new ATOM 0 HG13 VAL A 13 -1.726 2.605 -2.665 1.00 12.33 H new ATOM 0 HG21 VAL A 13 -0.498 5.362 -1.981 1.00 64.25 H new ATOM 0 HG22 VAL A 13 -0.972 4.886 -3.630 1.00 64.25 H new ATOM 0 HG23 VAL A 13 -1.636 6.371 -2.907 1.00 64.25 H new ATOM 220 N GLN A 14 -5.117 6.380 -2.526 1.00 54.23 N ATOM 221 CA GLN A 14 -5.695 7.724 -2.661 1.00 20.20 C ATOM 222 C GLN A 14 -5.161 8.680 -1.585 1.00 13.41 C ATOM 223 O GLN A 14 -4.424 8.278 -0.684 1.00 24.32 O ATOM 224 CB GLN A 14 -7.230 7.667 -2.594 1.00 45.11 C ATOM 225 CG GLN A 14 -7.794 7.307 -1.220 1.00 30.05 C ATOM 226 CD GLN A 14 -9.319 7.289 -1.185 1.00 3.22 C ATOM 227 OE1 GLN A 14 -9.953 8.084 -2.028 1.00 32.21 O flip ATOM 228 NE2 GLN A 14 -9.929 6.559 -0.410 1.00 35.01 N flip ATOM 0 H GLN A 14 -5.490 5.836 -1.748 1.00 54.23 H new ATOM 0 HA GLN A 14 -5.395 8.108 -3.636 1.00 20.20 H new ATOM 0 HB2 GLN A 14 -7.630 8.636 -2.894 1.00 45.11 H new ATOM 0 HB3 GLN A 14 -7.585 6.937 -3.321 1.00 45.11 H new ATOM 0 HG2 GLN A 14 -7.418 6.327 -0.925 1.00 30.05 H new ATOM 0 HG3 GLN A 14 -7.428 8.023 -0.485 1.00 30.05 H new ATOM 0 HE21 GLN A 14 -9.416 5.954 0.231 1.00 35.01 H new ATOM 0 HE22 GLN A 14 -10.949 6.557 -0.407 1.00 35.01 H new ATOM 237 N ILE A 15 -5.553 9.943 -1.683 1.00 70.41 N ATOM 238 CA ILE A 15 -5.093 10.973 -0.752 1.00 62.20 C ATOM 239 C ILE A 15 -5.863 10.925 0.582 1.00 60.04 C ATOM 240 O ILE A 15 -7.028 11.318 0.661 1.00 41.14 O ATOM 241 CB ILE A 15 -5.234 12.374 -1.395 1.00 71.32 C ATOM 242 CG1 ILE A 15 -4.388 12.461 -2.680 1.00 13.25 C ATOM 243 CG2 ILE A 15 -4.843 13.476 -0.415 1.00 12.43 C ATOM 244 CD1 ILE A 15 -2.902 12.249 -2.464 1.00 23.15 C ATOM 0 H ILE A 15 -6.192 10.284 -2.401 1.00 70.41 H new ATOM 0 HA ILE A 15 -4.043 10.776 -0.536 1.00 62.20 H new ATOM 0 HB ILE A 15 -6.282 12.522 -1.657 1.00 71.32 H new ATOM 0 HG12 ILE A 15 -4.750 11.718 -3.390 1.00 13.25 H new ATOM 0 HG13 ILE A 15 -4.541 13.439 -3.136 1.00 13.25 H new ATOM 0 HG21 ILE A 15 -4.953 14.447 -0.897 1.00 12.43 H new ATOM 0 HG22 ILE A 15 -5.490 13.430 0.461 1.00 12.43 H new ATOM 0 HG23 ILE A 15 -3.806 13.339 -0.108 1.00 12.43 H new ATOM 0 HD11 ILE A 15 -2.381 12.327 -3.418 1.00 23.15 H new ATOM 0 HD12 ILE A 15 -2.522 13.008 -1.780 1.00 23.15 H new ATOM 0 HD13 ILE A 15 -2.734 11.260 -2.038 1.00 23.15 H new ATOM 256 N THR A 16 -5.210 10.415 1.627 1.00 40.44 N ATOM 257 CA THR A 16 -5.809 10.367 2.971 1.00 42.13 C ATOM 258 C THR A 16 -5.349 11.559 3.828 1.00 1.43 C ATOM 259 O THR A 16 -6.139 12.452 4.141 1.00 53.35 O ATOM 260 CB THR A 16 -5.469 9.047 3.708 1.00 75.44 C ATOM 261 OG1 THR A 16 -4.047 8.921 3.882 1.00 12.12 O ATOM 262 CG2 THR A 16 -5.994 7.837 2.940 1.00 51.34 C ATOM 0 H THR A 16 -4.267 10.029 1.574 1.00 40.44 H new ATOM 0 HA THR A 16 -6.889 10.419 2.831 1.00 42.13 H new ATOM 0 HB THR A 16 -5.953 9.079 4.684 1.00 75.44 H new ATOM 0 HG1 THR A 16 -3.848 8.084 4.350 1.00 12.12 H new ATOM 0 HG21 THR A 16 -5.741 6.925 3.481 1.00 51.34 H new ATOM 0 HG22 THR A 16 -7.077 7.911 2.840 1.00 51.34 H new ATOM 0 HG23 THR A 16 -5.540 7.810 1.950 1.00 51.34 H new ATOM 270 N VAL A 17 -4.070 11.570 4.205 1.00 41.13 N ATOM 271 CA VAL A 17 -3.489 12.683 4.970 1.00 43.01 C ATOM 272 C VAL A 17 -2.630 13.593 4.074 1.00 44.31 C ATOM 273 O VAL A 17 -1.755 13.123 3.345 1.00 54.12 O ATOM 274 CB VAL A 17 -2.640 12.173 6.166 1.00 1.24 C ATOM 275 CG1 VAL A 17 -3.527 11.475 7.196 1.00 71.34 C ATOM 276 CG2 VAL A 17 -1.525 11.240 5.692 1.00 32.01 C ATOM 0 H VAL A 17 -3.412 10.820 3.994 1.00 41.13 H new ATOM 0 HA VAL A 17 -4.324 13.264 5.361 1.00 43.01 H new ATOM 0 HB VAL A 17 -2.174 13.037 6.641 1.00 1.24 H new ATOM 0 HG11 VAL A 17 -2.914 11.125 8.026 1.00 71.34 H new ATOM 0 HG12 VAL A 17 -4.274 12.176 7.567 1.00 71.34 H new ATOM 0 HG13 VAL A 17 -4.026 10.626 6.730 1.00 71.34 H new ATOM 0 HG21 VAL A 17 -0.947 10.898 6.551 1.00 32.01 H new ATOM 0 HG22 VAL A 17 -1.961 10.380 5.183 1.00 32.01 H new ATOM 0 HG23 VAL A 17 -0.871 11.775 5.004 1.00 32.01 H new ATOM 286 N ASP A 18 -2.892 14.899 4.118 1.00 55.31 N ATOM 287 CA ASP A 18 -2.152 15.861 3.294 1.00 53.33 C ATOM 288 C ASP A 18 -1.574 17.012 4.134 1.00 12.04 C ATOM 289 O ASP A 18 -1.934 17.193 5.300 1.00 44.23 O ATOM 290 CB ASP A 18 -3.068 16.427 2.202 1.00 13.25 C ATOM 291 CG ASP A 18 -4.163 17.320 2.765 1.00 53.21 C ATOM 292 OD1 ASP A 18 -5.177 16.791 3.264 1.00 44.43 O ATOM 293 OD2 ASP A 18 -4.013 18.560 2.715 1.00 60.21 O ATOM 0 H ASP A 18 -3.608 15.316 4.712 1.00 55.31 H new ATOM 0 HA ASP A 18 -1.317 15.329 2.838 1.00 53.33 H new ATOM 0 HB2 ASP A 18 -2.470 16.996 1.490 1.00 13.25 H new ATOM 0 HB3 ASP A 18 -3.523 15.604 1.651 1.00 13.25 H new ATOM 298 N GLY A 19 -0.680 17.788 3.526 1.00 40.20 N ATOM 299 CA GLY A 19 -0.127 18.968 4.184 1.00 5.43 C ATOM 300 C GLY A 19 0.839 18.669 5.330 1.00 64.20 C ATOM 301 O GLY A 19 1.251 19.583 6.046 1.00 11.11 O ATOM 0 H GLY A 19 -0.325 17.622 2.584 1.00 40.20 H new ATOM 0 HA2 GLY A 19 0.391 19.573 3.439 1.00 5.43 H new ATOM 0 HA3 GLY A 19 -0.949 19.571 4.569 1.00 5.43 H new ATOM 305 N LYS A 20 1.207 17.402 5.510 1.00 5.43 N ATOM 306 CA LYS A 20 2.165 17.026 6.556 1.00 33.20 C ATOM 307 C LYS A 20 3.584 17.462 6.167 1.00 41.31 C ATOM 308 O LYS A 20 4.309 16.720 5.505 1.00 4.12 O ATOM 309 CB LYS A 20 2.124 15.510 6.803 1.00 12.11 C ATOM 310 CG LYS A 20 3.069 15.041 7.906 1.00 32.11 C ATOM 311 CD LYS A 20 3.040 13.525 8.080 1.00 22.01 C ATOM 312 CE LYS A 20 3.980 13.075 9.192 1.00 71.41 C ATOM 313 NZ LYS A 20 3.982 11.599 9.356 1.00 45.40 N ATOM 0 H LYS A 20 0.861 16.621 4.952 1.00 5.43 H new ATOM 0 HA LYS A 20 1.885 17.536 7.477 1.00 33.20 H new ATOM 0 HB2 LYS A 20 1.106 15.221 7.062 1.00 12.11 H new ATOM 0 HB3 LYS A 20 2.376 14.993 5.877 1.00 12.11 H new ATOM 0 HG2 LYS A 20 4.085 15.359 7.672 1.00 32.11 H new ATOM 0 HG3 LYS A 20 2.794 15.519 8.846 1.00 32.11 H new ATOM 0 HD2 LYS A 20 2.024 13.203 8.308 1.00 22.01 H new ATOM 0 HD3 LYS A 20 3.325 13.044 7.144 1.00 22.01 H new ATOM 0 HE2 LYS A 20 4.991 13.417 8.972 1.00 71.41 H new ATOM 0 HE3 LYS A 20 3.682 13.544 10.130 1.00 71.41 H new ATOM 0 HZ1 LYS A 20 4.164 11.361 10.352 1.00 45.40 H new ATOM 0 HZ2 LYS A 20 3.057 11.217 9.072 1.00 45.40 H new ATOM 0 HZ3 LYS A 20 4.726 11.184 8.759 1.00 45.40 H new ATOM 327 N GLU A 21 3.969 18.674 6.557 1.00 34.12 N ATOM 328 CA GLU A 21 5.275 19.220 6.174 1.00 53.00 C ATOM 329 C GLU A 21 6.405 18.672 7.067 1.00 43.03 C ATOM 330 O GLU A 21 6.387 18.818 8.293 1.00 24.32 O ATOM 331 CB GLU A 21 5.257 20.758 6.195 1.00 20.44 C ATOM 332 CG GLU A 21 4.967 21.382 7.557 1.00 12.10 C ATOM 333 CD GLU A 21 4.992 22.903 7.513 1.00 73.55 C ATOM 334 OE1 GLU A 21 6.085 23.493 7.662 1.00 53.50 O ATOM 335 OE2 GLU A 21 3.918 23.518 7.323 1.00 41.41 O ATOM 0 H GLU A 21 3.403 19.296 7.134 1.00 34.12 H new ATOM 0 HA GLU A 21 5.477 18.895 5.153 1.00 53.00 H new ATOM 0 HB2 GLU A 21 6.222 21.122 5.844 1.00 20.44 H new ATOM 0 HB3 GLU A 21 4.507 21.107 5.485 1.00 20.44 H new ATOM 0 HG2 GLU A 21 3.991 21.047 7.907 1.00 12.10 H new ATOM 0 HG3 GLU A 21 5.703 21.030 8.280 1.00 12.10 H new ATOM 342 N VAL A 22 7.384 18.027 6.437 1.00 53.44 N ATOM 343 CA VAL A 22 8.528 17.449 7.145 1.00 65.25 C ATOM 344 C VAL A 22 9.817 18.248 6.879 1.00 5.34 C ATOM 345 O VAL A 22 10.552 17.991 5.923 1.00 32.12 O ATOM 346 CB VAL A 22 8.732 15.950 6.777 1.00 25.44 C ATOM 347 CG1 VAL A 22 7.598 15.096 7.344 1.00 3.54 C ATOM 348 CG2 VAL A 22 8.830 15.756 5.261 1.00 32.40 C ATOM 0 H VAL A 22 7.409 17.890 5.427 1.00 53.44 H new ATOM 0 HA VAL A 22 8.305 17.508 8.210 1.00 65.25 H new ATOM 0 HB VAL A 22 9.673 15.627 7.222 1.00 25.44 H new ATOM 0 HG11 VAL A 22 7.760 14.052 7.076 1.00 3.54 H new ATOM 0 HG12 VAL A 22 7.578 15.193 8.430 1.00 3.54 H new ATOM 0 HG13 VAL A 22 6.647 15.434 6.932 1.00 3.54 H new ATOM 0 HG21 VAL A 22 8.972 14.699 5.038 1.00 32.40 H new ATOM 0 HG22 VAL A 22 7.912 16.106 4.789 1.00 32.40 H new ATOM 0 HG23 VAL A 22 9.676 16.325 4.875 1.00 32.40 H new ATOM 358 N HIS A 23 10.064 19.254 7.715 1.00 2.34 N ATOM 359 CA HIS A 23 11.291 20.051 7.620 1.00 14.33 C ATOM 360 C HIS A 23 12.509 19.245 8.108 1.00 33.22 C ATOM 361 O HIS A 23 12.981 19.421 9.232 1.00 42.42 O ATOM 362 CB HIS A 23 11.153 21.354 8.421 1.00 2.45 C ATOM 363 CG HIS A 23 12.340 22.258 8.304 1.00 60.52 C ATOM 364 ND1 HIS A 23 12.706 22.869 7.123 1.00 10.22 N ATOM 365 CD2 HIS A 23 13.253 22.650 9.223 1.00 41.30 C ATOM 366 CE1 HIS A 23 13.782 23.599 7.323 1.00 71.14 C ATOM 367 NE2 HIS A 23 14.135 23.483 8.586 1.00 54.13 N ATOM 0 H HIS A 23 9.434 19.538 8.465 1.00 2.34 H new ATOM 0 HA HIS A 23 11.449 20.305 6.572 1.00 14.33 H new ATOM 0 HB2 HIS A 23 10.266 21.888 8.081 1.00 2.45 H new ATOM 0 HB3 HIS A 23 10.995 21.110 9.471 1.00 2.45 H new ATOM 0 HD1 HIS A 23 12.218 22.770 6.233 1.00 10.22 H new ATOM 0 HD2 HIS A 23 13.281 22.361 10.263 1.00 41.30 H new ATOM 0 HE1 HIS A 23 14.290 24.193 6.577 1.00 71.14 H new ATOM 376 N SER A 24 12.987 18.341 7.258 1.00 61.31 N ATOM 377 CA SER A 24 14.114 17.458 7.597 1.00 21.15 C ATOM 378 C SER A 24 14.683 16.815 6.326 1.00 70.22 C ATOM 379 O SER A 24 15.009 15.625 6.299 1.00 31.43 O ATOM 380 CB SER A 24 13.647 16.371 8.581 1.00 23.11 C ATOM 381 OG SER A 24 14.702 15.489 8.938 1.00 55.24 O ATOM 0 H SER A 24 12.612 18.195 6.321 1.00 61.31 H new ATOM 0 HA SER A 24 14.899 18.049 8.069 1.00 21.15 H new ATOM 0 HB2 SER A 24 13.248 16.842 9.479 1.00 23.11 H new ATOM 0 HB3 SER A 24 12.834 15.801 8.132 1.00 23.11 H new ATOM 0 HG SER A 24 15.149 15.169 8.127 1.00 55.24 H new ATOM 387 N LYS A 25 14.815 17.621 5.273 1.00 40.13 N ATOM 388 CA LYS A 25 15.213 17.111 3.957 1.00 2.24 C ATOM 389 C LYS A 25 15.663 18.251 3.020 1.00 11.41 C ATOM 390 O LYS A 25 15.086 18.437 1.947 1.00 12.20 O ATOM 391 CB LYS A 25 14.023 16.364 3.321 1.00 24.04 C ATOM 392 CG LYS A 25 14.353 15.619 2.024 1.00 52.23 C ATOM 393 CD LYS A 25 13.112 15.418 1.152 1.00 3.44 C ATOM 394 CE LYS A 25 11.971 14.756 1.918 1.00 45.13 C ATOM 395 NZ LYS A 25 12.314 13.373 2.349 1.00 13.13 N ATOM 0 H LYS A 25 14.653 18.628 5.303 1.00 40.13 H new ATOM 0 HA LYS A 25 16.057 16.435 4.094 1.00 2.24 H new ATOM 0 HB2 LYS A 25 13.632 15.649 4.045 1.00 24.04 H new ATOM 0 HB3 LYS A 25 13.227 17.081 3.119 1.00 24.04 H new ATOM 0 HG2 LYS A 25 15.103 16.178 1.465 1.00 52.23 H new ATOM 0 HG3 LYS A 25 14.790 14.650 2.263 1.00 52.23 H new ATOM 0 HD2 LYS A 25 12.779 16.383 0.769 1.00 3.44 H new ATOM 0 HD3 LYS A 25 13.372 14.805 0.289 1.00 3.44 H new ATOM 0 HE2 LYS A 25 11.725 15.358 2.793 1.00 45.13 H new ATOM 0 HE3 LYS A 25 11.081 14.729 1.290 1.00 45.13 H new ATOM 0 HZ1 LYS A 25 11.511 12.961 2.866 1.00 13.13 H new ATOM 0 HZ2 LYS A 25 12.523 12.791 1.513 1.00 13.13 H new ATOM 0 HZ3 LYS A 25 13.148 13.400 2.970 1.00 13.13 H new ATOM 409 N ALA A 26 16.686 19.013 3.412 1.00 31.01 N ATOM 410 CA ALA A 26 17.163 20.108 2.553 1.00 20.01 C ATOM 411 C ALA A 26 18.501 20.729 3.004 1.00 72.15 C ATOM 412 O ALA A 26 19.553 20.086 2.940 1.00 22.23 O ATOM 413 CB ALA A 26 16.093 21.185 2.431 1.00 4.41 C ATOM 0 H ALA A 26 17.190 18.901 4.292 1.00 31.01 H new ATOM 0 HA ALA A 26 17.358 19.661 1.578 1.00 20.01 H new ATOM 0 HB1 ALA A 26 16.458 21.990 1.793 1.00 4.41 H new ATOM 0 HB2 ALA A 26 15.192 20.755 1.993 1.00 4.41 H new ATOM 0 HB3 ALA A 26 15.862 21.582 3.419 1.00 4.41 H new ATOM 419 N ASP A 27 18.454 21.981 3.470 1.00 65.10 N ATOM 420 CA ASP A 27 19.663 22.802 3.619 1.00 72.11 C ATOM 421 C ASP A 27 19.906 23.285 5.060 1.00 2.13 C ATOM 422 O ASP A 27 19.133 22.999 5.979 1.00 24.32 O ATOM 423 CB ASP A 27 19.570 24.008 2.675 1.00 55.50 C ATOM 424 CG ASP A 27 19.618 23.597 1.214 1.00 71.23 C ATOM 425 OD1 ASP A 27 18.579 23.172 0.670 1.00 45.42 O ATOM 426 OD2 ASP A 27 20.701 23.701 0.604 1.00 4.11 O ATOM 0 H ASP A 27 17.593 22.449 3.751 1.00 65.10 H new ATOM 0 HA ASP A 27 20.512 22.169 3.362 1.00 72.11 H new ATOM 0 HB2 ASP A 27 18.643 24.548 2.869 1.00 55.50 H new ATOM 0 HB3 ASP A 27 20.390 24.695 2.885 1.00 55.50 H new ATOM 431 N ASN A 28 20.990 24.047 5.228 1.00 11.30 N ATOM 432 CA ASN A 28 21.431 24.529 6.544 1.00 71.15 C ATOM 433 C ASN A 28 20.582 25.703 7.063 1.00 71.34 C ATOM 434 O ASN A 28 20.680 26.072 8.232 1.00 31.00 O ATOM 435 CB ASN A 28 22.904 24.954 6.468 1.00 12.11 C ATOM 436 CG ASN A 28 23.816 23.797 6.108 1.00 2.42 C ATOM 437 OD1 ASN A 28 24.047 23.505 4.938 1.00 3.40 O ATOM 438 ND2 ASN A 28 24.346 23.127 7.109 1.00 40.21 N ATOM 0 H ASN A 28 21.587 24.348 4.458 1.00 11.30 H new ATOM 0 HA ASN A 28 21.306 23.706 7.247 1.00 71.15 H new ATOM 0 HB2 ASN A 28 23.014 25.746 5.727 1.00 12.11 H new ATOM 0 HB3 ASN A 28 23.210 25.371 7.427 1.00 12.11 H new ATOM 0 HD21 ASN A 28 24.968 22.340 6.923 1.00 40.21 H new ATOM 0 HD22 ASN A 28 24.135 23.394 8.070 1.00 40.21 H new ATOM 445 N GLY A 29 19.747 26.282 6.202 1.00 2.02 N ATOM 446 CA GLY A 29 18.924 27.413 6.621 1.00 4.14 C ATOM 447 C GLY A 29 17.700 27.639 5.743 1.00 70.53 C ATOM 448 O GLY A 29 16.615 27.927 6.250 1.00 31.11 O ATOM 0 H GLY A 29 19.624 25.994 5.231 1.00 2.02 H new ATOM 0 HA2 GLY A 29 18.598 27.253 7.649 1.00 4.14 H new ATOM 0 HA3 GLY A 29 19.534 28.316 6.617 1.00 4.14 H new ATOM 452 N GLN A 30 17.863 27.513 4.424 1.00 72.12 N ATOM 453 CA GLN A 30 16.742 27.695 3.495 1.00 61.43 C ATOM 454 C GLN A 30 15.599 26.714 3.816 1.00 51.25 C ATOM 455 O GLN A 30 15.780 25.494 3.799 1.00 75.42 O ATOM 456 CB GLN A 30 17.211 27.537 2.043 1.00 45.30 C ATOM 457 CG GLN A 30 16.119 27.824 1.015 1.00 41.35 C ATOM 458 CD GLN A 30 16.637 27.870 -0.414 1.00 13.11 C ATOM 459 OE1 GLN A 30 17.618 27.215 -0.762 1.00 3.32 O ATOM 460 NE2 GLN A 30 15.981 28.643 -1.253 1.00 21.14 N ATOM 0 H GLN A 30 18.752 27.288 3.977 1.00 72.12 H new ATOM 0 HA GLN A 30 16.358 28.708 3.618 1.00 61.43 H new ATOM 0 HB2 GLN A 30 18.051 28.209 1.866 1.00 45.30 H new ATOM 0 HB3 GLN A 30 17.579 26.521 1.897 1.00 45.30 H new ATOM 0 HG2 GLN A 30 15.348 27.057 1.090 1.00 41.35 H new ATOM 0 HG3 GLN A 30 15.646 28.777 1.254 1.00 41.35 H new ATOM 0 HE21 GLN A 30 15.171 29.173 -0.931 1.00 21.14 H new ATOM 0 HE22 GLN A 30 16.282 28.712 -2.225 1.00 21.14 H new ATOM 469 N LYS A 31 14.421 27.259 4.102 1.00 5.53 N ATOM 470 CA LYS A 31 13.312 26.476 4.647 1.00 71.02 C ATOM 471 C LYS A 31 12.545 25.692 3.568 1.00 12.21 C ATOM 472 O LYS A 31 11.610 26.207 2.952 1.00 10.11 O ATOM 473 CB LYS A 31 12.342 27.396 5.409 1.00 64.34 C ATOM 474 CG LYS A 31 13.005 28.246 6.491 1.00 74.23 C ATOM 475 CD LYS A 31 13.703 27.394 7.548 1.00 75.11 C ATOM 476 CE LYS A 31 14.341 28.253 8.633 1.00 5.22 C ATOM 477 NZ LYS A 31 15.004 27.427 9.675 1.00 13.31 N ATOM 0 H LYS A 31 14.207 28.247 3.965 1.00 5.53 H new ATOM 0 HA LYS A 31 13.748 25.744 5.327 1.00 71.02 H new ATOM 0 HB2 LYS A 31 11.849 28.056 4.695 1.00 64.34 H new ATOM 0 HB3 LYS A 31 11.565 26.785 5.868 1.00 64.34 H new ATOM 0 HG2 LYS A 31 13.731 28.916 6.030 1.00 74.23 H new ATOM 0 HG3 LYS A 31 12.253 28.872 6.971 1.00 74.23 H new ATOM 0 HD2 LYS A 31 12.982 26.713 8.000 1.00 75.11 H new ATOM 0 HD3 LYS A 31 14.468 26.780 7.073 1.00 75.11 H new ATOM 0 HE2 LYS A 31 15.072 28.924 8.182 1.00 5.22 H new ATOM 0 HE3 LYS A 31 13.578 28.878 9.096 1.00 5.22 H new ATOM 0 HZ1 LYS A 31 15.425 28.049 10.394 1.00 13.31 H new ATOM 0 HZ2 LYS A 31 14.302 26.805 10.123 1.00 13.31 H new ATOM 0 HZ3 LYS A 31 15.750 26.849 9.237 1.00 13.31 H new ATOM 491 N TYR A 32 12.964 24.449 3.333 1.00 42.21 N ATOM 492 CA TYR A 32 12.194 23.510 2.504 1.00 33.33 C ATOM 493 C TYR A 32 11.333 22.597 3.375 1.00 1.21 C ATOM 494 O TYR A 32 11.793 22.092 4.408 1.00 52.44 O ATOM 495 CB TYR A 32 13.111 22.631 1.654 1.00 42.45 C ATOM 496 CG TYR A 32 13.824 23.357 0.539 1.00 11.50 C ATOM 497 CD1 TYR A 32 15.054 23.964 0.750 1.00 34.32 C ATOM 498 CD2 TYR A 32 13.270 23.422 -0.731 1.00 65.25 C ATOM 499 CE1 TYR A 32 15.712 24.615 -0.272 1.00 61.05 C ATOM 500 CE2 TYR A 32 13.923 24.070 -1.763 1.00 31.32 C ATOM 501 CZ TYR A 32 15.146 24.667 -1.525 1.00 1.55 C ATOM 502 OH TYR A 32 15.813 25.313 -2.545 1.00 64.55 O ATOM 0 H TYR A 32 13.833 24.064 3.704 1.00 42.21 H new ATOM 0 HA TYR A 32 11.562 24.113 1.852 1.00 33.33 H new ATOM 0 HB2 TYR A 32 13.855 22.171 2.304 1.00 42.45 H new ATOM 0 HB3 TYR A 32 12.520 21.823 1.223 1.00 42.45 H new ATOM 0 HD1 TYR A 32 15.503 23.926 1.731 1.00 34.32 H new ATOM 0 HD2 TYR A 32 12.312 22.959 -0.917 1.00 65.25 H new ATOM 0 HE1 TYR A 32 16.668 25.082 -0.090 1.00 61.05 H new ATOM 0 HE2 TYR A 32 13.481 24.109 -2.747 1.00 31.32 H new ATOM 0 HH TYR A 32 16.537 25.857 -2.170 1.00 64.55 H new ATOM 512 N LYS A 33 10.081 22.401 2.976 1.00 2.21 N ATOM 513 CA LYS A 33 9.200 21.453 3.660 1.00 1.14 C ATOM 514 C LYS A 33 8.372 20.632 2.662 1.00 22.31 C ATOM 515 O LYS A 33 7.441 21.147 2.042 1.00 71.41 O ATOM 516 CB LYS A 33 8.244 22.161 4.645 1.00 73.25 C ATOM 517 CG LYS A 33 8.911 22.786 5.874 1.00 24.13 C ATOM 518 CD LYS A 33 9.536 24.149 5.578 1.00 41.11 C ATOM 519 CE LYS A 33 8.497 25.168 5.134 1.00 41.04 C ATOM 520 NZ LYS A 33 7.508 25.465 6.205 1.00 13.14 N ATOM 0 H LYS A 33 9.652 22.882 2.186 1.00 2.21 H new ATOM 0 HA LYS A 33 9.852 20.784 4.222 1.00 1.14 H new ATOM 0 HB2 LYS A 33 7.709 22.943 4.106 1.00 73.25 H new ATOM 0 HB3 LYS A 33 7.500 21.440 4.984 1.00 73.25 H new ATOM 0 HG2 LYS A 33 8.172 22.895 6.667 1.00 24.13 H new ATOM 0 HG3 LYS A 33 9.681 22.111 6.247 1.00 24.13 H new ATOM 0 HD2 LYS A 33 10.045 24.515 6.469 1.00 41.11 H new ATOM 0 HD3 LYS A 33 10.292 24.040 4.801 1.00 41.11 H new ATOM 0 HE2 LYS A 33 8.998 26.090 4.838 1.00 41.04 H new ATOM 0 HE3 LYS A 33 7.975 24.792 4.254 1.00 41.04 H new ATOM 0 HZ1 LYS A 33 6.830 26.176 5.864 1.00 13.14 H new ATOM 0 HZ2 LYS A 33 6.999 24.594 6.458 1.00 13.14 H new ATOM 0 HZ3 LYS A 33 8.003 25.832 7.043 1.00 13.14 H new ATOM 534 N ASP A 34 8.703 19.352 2.528 1.00 22.01 N ATOM 535 CA ASP A 34 7.939 18.441 1.676 1.00 1.24 C ATOM 536 C ASP A 34 6.746 17.856 2.447 1.00 15.24 C ATOM 537 O ASP A 34 6.820 17.650 3.660 1.00 72.25 O ATOM 538 CB ASP A 34 8.839 17.305 1.181 1.00 34.34 C ATOM 539 CG ASP A 34 10.041 17.809 0.404 1.00 34.45 C ATOM 540 OD1 ASP A 34 10.997 18.300 1.037 1.00 5.54 O ATOM 541 OD2 ASP A 34 10.029 17.720 -0.845 1.00 4.11 O ATOM 0 H ASP A 34 9.497 18.919 2.999 1.00 22.01 H new ATOM 0 HA ASP A 34 7.564 19.003 0.820 1.00 1.24 H new ATOM 0 HB2 ASP A 34 9.182 16.720 2.034 1.00 34.34 H new ATOM 0 HB3 ASP A 34 8.257 16.635 0.548 1.00 34.34 H new ATOM 546 N TYR A 35 5.648 17.602 1.745 1.00 14.25 N ATOM 547 CA TYR A 35 4.457 17.009 2.359 1.00 22.22 C ATOM 548 C TYR A 35 4.507 15.476 2.283 1.00 52.14 C ATOM 549 O TYR A 35 4.509 14.895 1.196 1.00 33.22 O ATOM 550 CB TYR A 35 3.188 17.538 1.681 1.00 62.43 C ATOM 551 CG TYR A 35 3.092 19.058 1.688 1.00 33.22 C ATOM 552 CD1 TYR A 35 3.146 19.773 2.881 1.00 71.24 C ATOM 553 CD2 TYR A 35 2.948 19.776 0.505 1.00 65.21 C ATOM 554 CE1 TYR A 35 3.063 21.154 2.892 1.00 33.11 C ATOM 555 CE2 TYR A 35 2.864 21.157 0.511 1.00 74.11 C ATOM 556 CZ TYR A 35 2.922 21.840 1.705 1.00 3.44 C ATOM 557 OH TYR A 35 2.841 23.216 1.712 1.00 51.35 O ATOM 0 H TYR A 35 5.554 17.796 0.748 1.00 14.25 H new ATOM 0 HA TYR A 35 4.437 17.296 3.410 1.00 22.22 H new ATOM 0 HB2 TYR A 35 3.160 17.184 0.651 1.00 62.43 H new ATOM 0 HB3 TYR A 35 2.315 17.123 2.185 1.00 62.43 H new ATOM 0 HD1 TYR A 35 3.255 19.241 3.814 1.00 71.24 H new ATOM 0 HD2 TYR A 35 2.901 19.246 -0.435 1.00 65.21 H new ATOM 0 HE1 TYR A 35 3.109 21.692 3.827 1.00 33.11 H new ATOM 0 HE2 TYR A 35 2.753 21.697 -0.418 1.00 74.11 H new ATOM 0 HH TYR A 35 2.745 23.543 0.793 1.00 51.35 H new ATOM 567 N GLU A 36 4.534 14.828 3.444 1.00 31.33 N ATOM 568 CA GLU A 36 4.739 13.378 3.516 1.00 14.41 C ATOM 569 C GLU A 36 3.434 12.594 3.331 1.00 32.33 C ATOM 570 O GLU A 36 2.588 12.543 4.227 1.00 43.33 O ATOM 571 CB GLU A 36 5.404 12.995 4.851 1.00 72.14 C ATOM 572 CG GLU A 36 5.711 11.502 4.976 1.00 52.02 C ATOM 573 CD GLU A 36 6.367 11.133 6.298 1.00 65.45 C ATOM 574 OE1 GLU A 36 5.639 10.891 7.286 1.00 74.21 O ATOM 575 OE2 GLU A 36 7.616 11.072 6.356 1.00 21.13 O ATOM 0 H GLU A 36 4.417 15.281 4.350 1.00 31.33 H new ATOM 0 HA GLU A 36 5.399 13.107 2.692 1.00 14.41 H new ATOM 0 HB2 GLU A 36 6.331 13.558 4.960 1.00 72.14 H new ATOM 0 HB3 GLU A 36 4.751 13.293 5.671 1.00 72.14 H new ATOM 0 HG2 GLU A 36 4.785 10.937 4.867 1.00 52.02 H new ATOM 0 HG3 GLU A 36 6.365 11.203 4.157 1.00 52.02 H new ATOM 582 N TYR A 37 3.272 11.996 2.156 1.00 44.54 N ATOM 583 CA TYR A 37 2.155 11.088 1.902 1.00 60.41 C ATOM 584 C TYR A 37 2.588 9.629 2.117 1.00 11.51 C ATOM 585 O TYR A 37 3.122 8.988 1.207 1.00 21.12 O ATOM 586 CB TYR A 37 1.620 11.264 0.471 1.00 74.42 C ATOM 587 CG TYR A 37 0.956 12.604 0.193 1.00 61.23 C ATOM 588 CD1 TYR A 37 1.696 13.696 -0.251 1.00 52.42 C ATOM 589 CD2 TYR A 37 -0.418 12.766 0.350 1.00 51.22 C ATOM 590 CE1 TYR A 37 1.087 14.906 -0.531 1.00 74.55 C ATOM 591 CE2 TYR A 37 -1.031 13.975 0.078 1.00 52.12 C ATOM 592 CZ TYR A 37 -0.276 15.040 -0.364 1.00 0.13 C ATOM 593 OH TYR A 37 -0.887 16.242 -0.654 1.00 3.41 O ATOM 0 H TYR A 37 3.900 12.123 1.362 1.00 44.54 H new ATOM 0 HA TYR A 37 1.359 11.332 2.606 1.00 60.41 H new ATOM 0 HB2 TYR A 37 2.446 11.133 -0.228 1.00 74.42 H new ATOM 0 HB3 TYR A 37 0.901 10.470 0.268 1.00 74.42 H new ATOM 0 HD1 TYR A 37 2.764 13.597 -0.379 1.00 52.42 H new ATOM 0 HD2 TYR A 37 -1.015 11.933 0.690 1.00 51.22 H new ATOM 0 HE1 TYR A 37 1.676 15.742 -0.879 1.00 74.55 H new ATOM 0 HE2 TYR A 37 -2.097 14.084 0.211 1.00 52.12 H new ATOM 0 HH TYR A 37 -1.838 16.189 -0.424 1.00 3.41 H new ATOM 603 N LYS A 38 2.387 9.112 3.328 1.00 33.35 N ATOM 604 CA LYS A 38 2.698 7.707 3.615 1.00 64.04 C ATOM 605 C LYS A 38 1.424 6.851 3.560 1.00 11.51 C ATOM 606 O LYS A 38 0.584 6.920 4.459 1.00 50.55 O ATOM 607 CB LYS A 38 3.357 7.548 4.997 1.00 52.13 C ATOM 608 CG LYS A 38 4.071 6.202 5.172 1.00 4.05 C ATOM 609 CD LYS A 38 4.060 5.702 6.617 1.00 51.31 C ATOM 610 CE LYS A 38 2.651 5.317 7.063 1.00 45.43 C ATOM 611 NZ LYS A 38 2.661 4.535 8.325 1.00 55.13 N ATOM 0 H LYS A 38 2.015 9.635 4.120 1.00 33.35 H new ATOM 0 HA LYS A 38 3.399 7.367 2.853 1.00 64.04 H new ATOM 0 HB2 LYS A 38 4.074 8.355 5.146 1.00 52.13 H new ATOM 0 HB3 LYS A 38 2.596 7.652 5.770 1.00 52.13 H new ATOM 0 HG2 LYS A 38 3.595 5.459 4.533 1.00 4.05 H new ATOM 0 HG3 LYS A 38 5.103 6.298 4.835 1.00 4.05 H new ATOM 0 HD2 LYS A 38 4.721 4.840 6.710 1.00 51.31 H new ATOM 0 HD3 LYS A 38 4.452 6.477 7.275 1.00 51.31 H new ATOM 0 HE2 LYS A 38 2.055 6.219 7.200 1.00 45.43 H new ATOM 0 HE3 LYS A 38 2.169 4.733 6.279 1.00 45.43 H new ATOM 0 HZ1 LYS A 38 1.690 4.251 8.565 1.00 55.13 H new ATOM 0 HZ2 LYS A 38 3.250 3.687 8.203 1.00 55.13 H new ATOM 0 HZ3 LYS A 38 3.050 5.119 9.092 1.00 55.13 H new ATOM 625 N LEU A 39 1.281 6.048 2.509 1.00 41.34 N ATOM 626 CA LEU A 39 0.070 5.234 2.320 1.00 41.03 C ATOM 627 C LEU A 39 0.379 3.733 2.414 1.00 21.55 C ATOM 628 O LEU A 39 1.362 3.251 1.847 1.00 13.22 O ATOM 629 CB LEU A 39 -0.589 5.520 0.956 1.00 60.34 C ATOM 630 CG LEU A 39 -0.917 6.993 0.635 1.00 2.13 C ATOM 631 CD1 LEU A 39 -1.576 7.692 1.818 1.00 50.45 C ATOM 632 CD2 LEU A 39 0.331 7.743 0.185 1.00 60.21 C ATOM 0 H LEU A 39 1.981 5.939 1.775 1.00 41.34 H new ATOM 0 HA LEU A 39 -0.617 5.509 3.120 1.00 41.03 H new ATOM 0 HB2 LEU A 39 0.070 5.141 0.175 1.00 60.34 H new ATOM 0 HB3 LEU A 39 -1.514 4.946 0.899 1.00 60.34 H new ATOM 0 HG LEU A 39 -1.632 6.998 -0.188 1.00 2.13 H new ATOM 0 HD11 LEU A 39 -1.792 8.727 1.554 1.00 50.45 H new ATOM 0 HD12 LEU A 39 -2.505 7.181 2.072 1.00 50.45 H new ATOM 0 HD13 LEU A 39 -0.903 7.669 2.675 1.00 50.45 H new ATOM 0 HD21 LEU A 39 0.073 8.779 -0.035 1.00 60.21 H new ATOM 0 HD22 LEU A 39 1.078 7.716 0.978 1.00 60.21 H new ATOM 0 HD23 LEU A 39 0.736 7.272 -0.711 1.00 60.21 H new ATOM 644 N THR A 40 -0.467 2.997 3.128 1.00 2.52 N ATOM 645 CA THR A 40 -0.379 1.535 3.143 1.00 72.54 C ATOM 646 C THR A 40 -0.941 0.961 1.834 1.00 43.32 C ATOM 647 O THR A 40 -2.156 0.859 1.655 1.00 44.22 O ATOM 648 CB THR A 40 -1.135 0.913 4.348 1.00 74.44 C ATOM 649 OG1 THR A 40 -0.582 1.397 5.589 1.00 51.24 O ATOM 650 CG2 THR A 40 -1.065 -0.612 4.314 1.00 60.05 C ATOM 0 H THR A 40 -1.218 3.382 3.701 1.00 2.52 H new ATOM 0 HA THR A 40 0.675 1.277 3.243 1.00 72.54 H new ATOM 0 HB THR A 40 -2.181 1.213 4.277 1.00 74.44 H new ATOM 0 HG1 THR A 40 -1.068 0.999 6.341 1.00 51.24 H new ATOM 0 HG21 THR A 40 -1.603 -1.020 5.170 1.00 60.05 H new ATOM 0 HG22 THR A 40 -1.519 -0.977 3.393 1.00 60.05 H new ATOM 0 HG23 THR A 40 -0.023 -0.929 4.355 1.00 60.05 H new ATOM 658 N GLY A 41 -0.046 0.631 0.907 1.00 44.10 N ATOM 659 CA GLY A 41 -0.450 0.059 -0.372 1.00 61.32 C ATOM 660 C GLY A 41 -0.957 -1.372 -0.249 1.00 62.44 C ATOM 661 O GLY A 41 -0.315 -2.215 0.378 1.00 64.13 O ATOM 0 H GLY A 41 0.961 0.750 1.018 1.00 44.10 H new ATOM 0 HA2 GLY A 41 -1.232 0.679 -0.811 1.00 61.32 H new ATOM 0 HA3 GLY A 41 0.397 0.081 -1.058 1.00 61.32 H new ATOM 665 N PHE A 42 -2.111 -1.648 -0.841 1.00 31.34 N ATOM 666 CA PHE A 42 -2.701 -2.987 -0.795 1.00 31.44 C ATOM 667 C PHE A 42 -2.369 -3.791 -2.062 1.00 1.41 C ATOM 668 O PHE A 42 -2.501 -3.291 -3.181 1.00 32.43 O ATOM 669 CB PHE A 42 -4.221 -2.881 -0.612 1.00 4.41 C ATOM 670 CG PHE A 42 -4.625 -2.134 0.636 1.00 23.41 C ATOM 671 CD1 PHE A 42 -4.512 -2.727 1.887 1.00 5.32 C ATOM 672 CD2 PHE A 42 -5.112 -0.834 0.560 1.00 61.53 C ATOM 673 CE1 PHE A 42 -4.877 -2.041 3.029 1.00 73.23 C ATOM 674 CE2 PHE A 42 -5.475 -0.147 1.702 1.00 74.11 C ATOM 675 CZ PHE A 42 -5.358 -0.750 2.936 1.00 13.44 C ATOM 0 H PHE A 42 -2.661 -0.964 -1.361 1.00 31.34 H new ATOM 0 HA PHE A 42 -2.273 -3.518 0.055 1.00 31.44 H new ATOM 0 HB2 PHE A 42 -4.650 -2.381 -1.480 1.00 4.41 H new ATOM 0 HB3 PHE A 42 -4.646 -3.884 -0.580 1.00 4.41 H new ATOM 0 HD1 PHE A 42 -4.135 -3.736 1.968 1.00 5.32 H new ATOM 0 HD2 PHE A 42 -5.208 -0.356 -0.404 1.00 61.53 H new ATOM 0 HE1 PHE A 42 -4.786 -2.515 3.995 1.00 73.23 H new ATOM 0 HE2 PHE A 42 -5.851 0.863 1.628 1.00 74.11 H new ATOM 0 HZ PHE A 42 -5.642 -0.213 3.829 1.00 13.44 H new ATOM 685 N ASP A 43 -1.929 -5.035 -1.874 1.00 3.11 N ATOM 686 CA ASP A 43 -1.557 -5.914 -2.992 1.00 62.31 C ATOM 687 C ASP A 43 -2.794 -6.476 -3.724 1.00 1.22 C ATOM 688 O ASP A 43 -3.890 -6.530 -3.162 1.00 22.22 O ATOM 689 CB ASP A 43 -0.677 -7.058 -2.466 1.00 42.31 C ATOM 690 CG ASP A 43 -0.277 -8.050 -3.548 1.00 35.40 C ATOM 691 OD1 ASP A 43 0.698 -7.787 -4.278 1.00 61.11 O ATOM 692 OD2 ASP A 43 -0.940 -9.101 -3.671 1.00 10.43 O ATOM 0 H ASP A 43 -1.820 -5.462 -0.954 1.00 3.11 H new ATOM 0 HA ASP A 43 -1.000 -5.323 -3.719 1.00 62.31 H new ATOM 0 HB2 ASP A 43 0.223 -6.639 -2.016 1.00 42.31 H new ATOM 0 HB3 ASP A 43 -1.212 -7.586 -1.677 1.00 42.31 H new ATOM 697 N LYS A 44 -2.588 -6.906 -4.976 1.00 55.44 N ATOM 698 CA LYS A 44 -3.659 -7.452 -5.832 1.00 50.01 C ATOM 699 C LYS A 44 -4.468 -8.554 -5.121 1.00 33.44 C ATOM 700 O LYS A 44 -5.691 -8.643 -5.266 1.00 74.40 O ATOM 701 CB LYS A 44 -3.048 -8.023 -7.122 1.00 62.34 C ATOM 702 CG LYS A 44 -2.157 -7.038 -7.878 1.00 12.14 C ATOM 703 CD LYS A 44 -1.477 -7.689 -9.087 1.00 13.31 C ATOM 704 CE LYS A 44 -2.482 -8.116 -10.154 1.00 43.10 C ATOM 705 NZ LYS A 44 -3.138 -6.950 -10.800 1.00 15.33 N ATOM 0 H LYS A 44 -1.674 -6.887 -5.428 1.00 55.44 H new ATOM 0 HA LYS A 44 -4.342 -6.634 -6.063 1.00 50.01 H new ATOM 0 HB2 LYS A 44 -2.463 -8.909 -6.874 1.00 62.34 H new ATOM 0 HB3 LYS A 44 -3.854 -8.347 -7.781 1.00 62.34 H new ATOM 0 HG2 LYS A 44 -2.756 -6.190 -8.212 1.00 12.14 H new ATOM 0 HG3 LYS A 44 -1.397 -6.645 -7.203 1.00 12.14 H new ATOM 0 HD2 LYS A 44 -0.764 -6.988 -9.522 1.00 13.31 H new ATOM 0 HD3 LYS A 44 -0.908 -8.559 -8.757 1.00 13.31 H new ATOM 0 HE2 LYS A 44 -1.974 -8.712 -10.912 1.00 43.10 H new ATOM 0 HE3 LYS A 44 -3.241 -8.754 -9.702 1.00 43.10 H new ATOM 0 HZ1 LYS A 44 -3.709 -7.275 -11.606 1.00 15.33 H new ATOM 0 HZ2 LYS A 44 -3.753 -6.472 -10.111 1.00 15.33 H new ATOM 0 HZ3 LYS A 44 -2.412 -6.285 -11.136 1.00 15.33 H new ATOM 719 N ASP A 45 -3.769 -9.403 -4.372 1.00 35.00 N ATOM 720 CA ASP A 45 -4.405 -10.452 -3.572 1.00 33.40 C ATOM 721 C ASP A 45 -5.301 -9.846 -2.477 1.00 30.24 C ATOM 722 O ASP A 45 -6.503 -10.118 -2.413 1.00 3.05 O ATOM 723 CB ASP A 45 -3.316 -11.332 -2.940 1.00 12.11 C ATOM 724 CG ASP A 45 -3.868 -12.374 -1.982 1.00 65.34 C ATOM 725 OD1 ASP A 45 -4.283 -13.457 -2.443 1.00 51.43 O ATOM 726 OD2 ASP A 45 -3.876 -12.122 -0.757 1.00 72.40 O ATOM 0 H ASP A 45 -2.752 -9.386 -4.301 1.00 35.00 H new ATOM 0 HA ASP A 45 -5.037 -11.057 -4.222 1.00 33.40 H new ATOM 0 HB2 ASP A 45 -2.760 -11.834 -3.731 1.00 12.11 H new ATOM 0 HB3 ASP A 45 -2.609 -10.697 -2.407 1.00 12.11 H new ATOM 731 N GLY A 46 -4.696 -9.008 -1.642 1.00 55.24 N ATOM 732 CA GLY A 46 -5.386 -8.420 -0.498 1.00 54.23 C ATOM 733 C GLY A 46 -4.460 -8.292 0.707 1.00 34.44 C ATOM 734 O GLY A 46 -4.809 -8.688 1.821 1.00 61.25 O ATOM 0 H GLY A 46 -3.722 -8.719 -1.737 1.00 55.24 H new ATOM 0 HA2 GLY A 46 -5.770 -7.437 -0.769 1.00 54.23 H new ATOM 0 HA3 GLY A 46 -6.246 -9.036 -0.234 1.00 54.23 H new ATOM 738 N LYS A 47 -3.268 -7.738 0.469 1.00 2.33 N ATOM 739 CA LYS A 47 -2.219 -7.635 1.498 1.00 74.52 C ATOM 740 C LYS A 47 -1.962 -6.168 1.884 1.00 22.53 C ATOM 741 O LYS A 47 -2.598 -5.258 1.353 1.00 4.43 O ATOM 742 CB LYS A 47 -0.914 -8.258 0.975 1.00 4.35 C ATOM 743 CG LYS A 47 -1.089 -9.626 0.317 1.00 22.14 C ATOM 744 CD LYS A 47 0.215 -10.129 -0.301 1.00 15.45 C ATOM 745 CE LYS A 47 -0.002 -11.380 -1.143 1.00 33.31 C ATOM 746 NZ LYS A 47 1.257 -11.854 -1.779 1.00 41.14 N ATOM 0 H LYS A 47 -3.000 -7.349 -0.435 1.00 2.33 H new ATOM 0 HA LYS A 47 -2.560 -8.172 2.383 1.00 74.52 H new ATOM 0 HB2 LYS A 47 -0.463 -7.576 0.254 1.00 4.35 H new ATOM 0 HB3 LYS A 47 -0.213 -8.354 1.804 1.00 4.35 H new ATOM 0 HG2 LYS A 47 -1.441 -10.344 1.058 1.00 22.14 H new ATOM 0 HG3 LYS A 47 -1.856 -9.563 -0.455 1.00 22.14 H new ATOM 0 HD2 LYS A 47 0.649 -9.345 -0.921 1.00 15.45 H new ATOM 0 HD3 LYS A 47 0.933 -10.344 0.491 1.00 15.45 H new ATOM 0 HE2 LYS A 47 -0.411 -12.172 -0.515 1.00 33.31 H new ATOM 0 HE3 LYS A 47 -0.742 -11.172 -1.916 1.00 33.31 H new ATOM 0 HZ1 LYS A 47 1.062 -12.707 -2.342 1.00 41.14 H new ATOM 0 HZ2 LYS A 47 1.635 -11.109 -2.399 1.00 41.14 H new ATOM 0 HZ3 LYS A 47 1.955 -12.078 -1.042 1.00 41.14 H new ATOM 760 N GLU A 48 -1.020 -5.948 2.801 1.00 75.42 N ATOM 761 CA GLU A 48 -0.632 -4.594 3.215 1.00 40.11 C ATOM 762 C GLU A 48 0.857 -4.331 2.932 1.00 10.04 C ATOM 763 O GLU A 48 1.704 -5.203 3.136 1.00 61.22 O ATOM 764 CB GLU A 48 -0.927 -4.373 4.712 1.00 33.21 C ATOM 765 CG GLU A 48 -0.118 -5.261 5.664 1.00 75.35 C ATOM 766 CD GLU A 48 -0.626 -6.697 5.741 1.00 14.51 C ATOM 767 OE1 GLU A 48 -0.199 -7.541 4.925 1.00 41.12 O ATOM 768 OE2 GLU A 48 -1.453 -6.989 6.630 1.00 53.51 O ATOM 0 H GLU A 48 -0.508 -6.692 3.275 1.00 75.42 H new ATOM 0 HA GLU A 48 -1.225 -3.890 2.631 1.00 40.11 H new ATOM 0 HB2 GLU A 48 -0.731 -3.329 4.956 1.00 33.21 H new ATOM 0 HB3 GLU A 48 -1.988 -4.548 4.888 1.00 33.21 H new ATOM 0 HG2 GLU A 48 0.923 -5.270 5.342 1.00 75.35 H new ATOM 0 HG3 GLU A 48 -0.139 -4.823 6.662 1.00 75.35 H new ATOM 775 N LYS A 49 1.174 -3.134 2.447 1.00 0.40 N ATOM 776 CA LYS A 49 2.563 -2.749 2.173 1.00 20.02 C ATOM 777 C LYS A 49 2.779 -1.259 2.489 1.00 51.21 C ATOM 778 O LYS A 49 1.911 -0.430 2.225 1.00 4.42 O ATOM 779 CB LYS A 49 2.905 -3.038 0.701 1.00 43.41 C ATOM 780 CG LYS A 49 4.394 -3.227 0.429 1.00 50.12 C ATOM 781 CD LYS A 49 4.935 -4.473 1.129 1.00 30.10 C ATOM 782 CE LYS A 49 6.391 -4.751 0.767 1.00 1.24 C ATOM 783 NZ LYS A 49 6.899 -5.993 1.414 1.00 61.11 N ATOM 0 H LYS A 49 0.489 -2.409 2.234 1.00 0.40 H new ATOM 0 HA LYS A 49 3.224 -3.335 2.812 1.00 20.02 H new ATOM 0 HB2 LYS A 49 2.373 -3.936 0.386 1.00 43.41 H new ATOM 0 HB3 LYS A 49 2.536 -2.217 0.086 1.00 43.41 H new ATOM 0 HG2 LYS A 49 4.562 -3.309 -0.645 1.00 50.12 H new ATOM 0 HG3 LYS A 49 4.942 -2.349 0.771 1.00 50.12 H new ATOM 0 HD2 LYS A 49 4.848 -4.348 2.208 1.00 30.10 H new ATOM 0 HD3 LYS A 49 4.324 -5.334 0.858 1.00 30.10 H new ATOM 0 HE2 LYS A 49 6.485 -4.841 -0.315 1.00 1.24 H new ATOM 0 HE3 LYS A 49 7.008 -3.905 1.071 1.00 1.24 H new ATOM 0 HZ1 LYS A 49 7.891 -6.145 1.142 1.00 61.11 H new ATOM 0 HZ2 LYS A 49 6.834 -5.898 2.448 1.00 61.11 H new ATOM 0 HZ3 LYS A 49 6.327 -6.805 1.105 1.00 61.11 H new ATOM 797 N GLU A 50 3.934 -0.916 3.049 1.00 44.43 N ATOM 798 CA GLU A 50 4.208 0.470 3.461 1.00 33.42 C ATOM 799 C GLU A 50 4.856 1.291 2.325 1.00 44.03 C ATOM 800 O GLU A 50 5.980 1.006 1.902 1.00 55.43 O ATOM 801 CB GLU A 50 5.127 0.478 4.692 1.00 42.52 C ATOM 802 CG GLU A 50 5.195 1.824 5.413 1.00 73.43 C ATOM 803 CD GLU A 50 4.002 2.072 6.329 1.00 35.34 C ATOM 804 OE1 GLU A 50 2.863 2.185 5.831 1.00 62.52 O ATOM 805 OE2 GLU A 50 4.202 2.164 7.561 1.00 44.23 O ATOM 0 H GLU A 50 4.696 -1.569 3.230 1.00 44.43 H new ATOM 0 HA GLU A 50 3.253 0.935 3.707 1.00 33.42 H new ATOM 0 HB2 GLU A 50 4.782 -0.281 5.394 1.00 42.52 H new ATOM 0 HB3 GLU A 50 6.133 0.193 4.383 1.00 42.52 H new ATOM 0 HG2 GLU A 50 6.112 1.869 6.000 1.00 73.43 H new ATOM 0 HG3 GLU A 50 5.250 2.623 4.674 1.00 73.43 H new ATOM 812 N LEU A 51 4.142 2.309 1.835 1.00 3.51 N ATOM 813 CA LEU A 51 4.675 3.221 0.799 1.00 61.43 C ATOM 814 C LEU A 51 4.668 4.682 1.293 1.00 61.21 C ATOM 815 O LEU A 51 3.782 5.087 2.042 1.00 11.53 O ATOM 816 CB LEU A 51 3.862 3.124 -0.511 1.00 63.14 C ATOM 817 CG LEU A 51 4.021 1.825 -1.332 1.00 71.25 C ATOM 818 CD1 LEU A 51 5.494 1.514 -1.590 1.00 14.25 C ATOM 819 CD2 LEU A 51 3.319 0.651 -0.654 1.00 62.44 C ATOM 0 H LEU A 51 3.192 2.529 2.135 1.00 3.51 H new ATOM 0 HA LEU A 51 5.701 2.912 0.600 1.00 61.43 H new ATOM 0 HB2 LEU A 51 2.807 3.245 -0.266 1.00 63.14 H new ATOM 0 HB3 LEU A 51 4.140 3.965 -1.147 1.00 63.14 H new ATOM 0 HG LEU A 51 3.540 1.983 -2.297 1.00 71.25 H new ATOM 0 HD11 LEU A 51 5.576 0.595 -2.170 1.00 14.25 H new ATOM 0 HD12 LEU A 51 5.947 2.335 -2.146 1.00 14.25 H new ATOM 0 HD13 LEU A 51 6.012 1.390 -0.639 1.00 14.25 H new ATOM 0 HD21 LEU A 51 3.449 -0.248 -1.256 1.00 62.44 H new ATOM 0 HD22 LEU A 51 3.750 0.491 0.334 1.00 62.44 H new ATOM 0 HD23 LEU A 51 2.256 0.871 -0.555 1.00 62.44 H new ATOM 831 N GLU A 52 5.652 5.473 0.857 1.00 2.32 N ATOM 832 CA GLU A 52 5.748 6.885 1.256 1.00 23.45 C ATOM 833 C GLU A 52 6.350 7.752 0.144 1.00 33.25 C ATOM 834 O GLU A 52 7.450 7.476 -0.345 1.00 61.34 O ATOM 835 CB GLU A 52 6.588 7.020 2.541 1.00 41.03 C ATOM 836 CG GLU A 52 6.853 8.467 2.989 1.00 73.50 C ATOM 837 CD GLU A 52 8.225 8.990 2.563 1.00 33.50 C ATOM 838 OE1 GLU A 52 9.223 8.667 3.247 1.00 70.33 O ATOM 839 OE2 GLU A 52 8.316 9.726 1.558 1.00 4.20 O ATOM 0 H GLU A 52 6.393 5.163 0.229 1.00 2.32 H new ATOM 0 HA GLU A 52 4.735 7.242 1.445 1.00 23.45 H new ATOM 0 HB2 GLU A 52 6.080 6.492 3.348 1.00 41.03 H new ATOM 0 HB3 GLU A 52 7.545 6.521 2.387 1.00 41.03 H new ATOM 0 HG2 GLU A 52 6.080 9.115 2.576 1.00 73.50 H new ATOM 0 HG3 GLU A 52 6.771 8.525 4.074 1.00 73.50 H new ATOM 846 N PHE A 53 5.627 8.802 -0.247 1.00 64.11 N ATOM 847 CA PHE A 53 6.154 9.786 -1.202 1.00 11.25 C ATOM 848 C PHE A 53 5.895 11.223 -0.720 1.00 50.45 C ATOM 849 O PHE A 53 4.770 11.587 -0.375 1.00 45.33 O ATOM 850 CB PHE A 53 5.584 9.563 -2.615 1.00 3.42 C ATOM 851 CG PHE A 53 4.084 9.694 -2.731 1.00 24.33 C ATOM 852 CD1 PHE A 53 3.257 8.615 -2.461 1.00 72.20 C ATOM 853 CD2 PHE A 53 3.506 10.894 -3.123 1.00 23.31 C ATOM 854 CE1 PHE A 53 1.887 8.731 -2.577 1.00 30.50 C ATOM 855 CE2 PHE A 53 2.136 11.012 -3.241 1.00 21.32 C ATOM 856 CZ PHE A 53 1.326 9.928 -2.967 1.00 4.01 C ATOM 0 H PHE A 53 4.680 8.995 0.079 1.00 64.11 H new ATOM 0 HA PHE A 53 7.233 9.642 -1.257 1.00 11.25 H new ATOM 0 HB2 PHE A 53 6.049 10.278 -3.294 1.00 3.42 H new ATOM 0 HB3 PHE A 53 5.873 8.568 -2.953 1.00 3.42 H new ATOM 0 HD1 PHE A 53 3.690 7.673 -2.157 1.00 72.20 H new ATOM 0 HD2 PHE A 53 4.136 11.745 -3.338 1.00 23.31 H new ATOM 0 HE1 PHE A 53 1.254 7.883 -2.362 1.00 30.50 H new ATOM 0 HE2 PHE A 53 1.698 11.951 -3.547 1.00 21.32 H new ATOM 0 HZ PHE A 53 0.254 10.018 -3.058 1.00 4.01 H new ATOM 866 N THR A 54 6.951 12.029 -0.679 1.00 24.42 N ATOM 867 CA THR A 54 6.856 13.424 -0.225 1.00 74.02 C ATOM 868 C THR A 54 6.714 14.405 -1.402 1.00 32.42 C ATOM 869 O THR A 54 7.643 14.590 -2.192 1.00 11.42 O ATOM 870 CB THR A 54 8.090 13.824 0.625 1.00 72.52 C ATOM 871 OG1 THR A 54 9.305 13.478 -0.063 1.00 34.32 O ATOM 872 CG2 THR A 54 8.065 13.146 1.993 1.00 13.02 C ATOM 0 H THR A 54 7.891 11.744 -0.955 1.00 24.42 H new ATOM 0 HA THR A 54 5.958 13.487 0.390 1.00 74.02 H new ATOM 0 HB THR A 54 8.053 14.903 0.774 1.00 72.52 H new ATOM 0 HG1 THR A 54 9.209 13.678 -1.018 1.00 34.32 H new ATOM 0 HG21 THR A 54 8.943 13.447 2.564 1.00 13.02 H new ATOM 0 HG22 THR A 54 7.164 13.443 2.530 1.00 13.02 H new ATOM 0 HG23 THR A 54 8.070 12.064 1.863 1.00 13.02 H new ATOM 880 N ALA A 55 5.549 15.044 -1.504 1.00 34.34 N ATOM 881 CA ALA A 55 5.253 15.970 -2.610 1.00 43.54 C ATOM 882 C ALA A 55 5.480 17.440 -2.207 1.00 60.44 C ATOM 883 O ALA A 55 5.337 17.806 -1.042 1.00 65.34 O ATOM 884 CB ALA A 55 3.817 15.765 -3.089 1.00 23.01 C ATOM 0 H ALA A 55 4.788 14.940 -0.833 1.00 34.34 H new ATOM 0 HA ALA A 55 5.942 15.748 -3.424 1.00 43.54 H new ATOM 0 HB1 ALA A 55 3.605 16.453 -3.907 1.00 23.01 H new ATOM 0 HB2 ALA A 55 3.692 14.739 -3.436 1.00 23.01 H new ATOM 0 HB3 ALA A 55 3.128 15.956 -2.266 1.00 23.01 H new ATOM 890 N GLN A 56 5.831 18.278 -3.186 1.00 31.34 N ATOM 891 CA GLN A 56 6.101 19.704 -2.937 1.00 43.40 C ATOM 892 C GLN A 56 4.808 20.533 -2.773 1.00 41.24 C ATOM 893 O GLN A 56 4.844 21.655 -2.268 1.00 43.35 O ATOM 894 CB GLN A 56 6.971 20.280 -4.071 1.00 34.52 C ATOM 895 CG GLN A 56 6.399 20.066 -5.472 1.00 33.01 C ATOM 896 CD GLN A 56 7.350 20.528 -6.567 1.00 40.41 C ATOM 897 OE1 GLN A 56 8.197 19.772 -7.031 1.00 25.22 O ATOM 898 NE2 GLN A 56 7.218 21.766 -6.995 1.00 60.24 N ATOM 0 H GLN A 56 5.936 17.997 -4.161 1.00 31.34 H new ATOM 0 HA GLN A 56 6.640 19.773 -1.992 1.00 43.40 H new ATOM 0 HB2 GLN A 56 7.103 21.349 -3.905 1.00 34.52 H new ATOM 0 HB3 GLN A 56 7.960 19.825 -4.021 1.00 34.52 H new ATOM 0 HG2 GLN A 56 6.175 19.008 -5.612 1.00 33.01 H new ATOM 0 HG3 GLN A 56 5.456 20.606 -5.562 1.00 33.01 H new ATOM 0 HE21 GLN A 56 6.504 22.372 -6.590 1.00 60.24 H new ATOM 0 HE22 GLN A 56 7.829 22.119 -7.731 1.00 60.24 H new ATOM 907 N LYS A 57 3.672 19.981 -3.202 1.00 4.35 N ATOM 908 CA LYS A 57 2.367 20.650 -3.046 1.00 53.43 C ATOM 909 C LYS A 57 1.273 19.652 -2.650 1.00 21.45 C ATOM 910 O LYS A 57 1.427 18.444 -2.831 1.00 51.22 O ATOM 911 CB LYS A 57 1.953 21.368 -4.346 1.00 31.05 C ATOM 912 CG LYS A 57 2.796 22.593 -4.686 1.00 2.55 C ATOM 913 CD LYS A 57 2.336 23.285 -5.977 1.00 71.12 C ATOM 914 CE LYS A 57 0.939 23.904 -5.864 1.00 1.34 C ATOM 915 NZ LYS A 57 -0.155 22.893 -5.936 1.00 31.34 N ATOM 0 H LYS A 57 3.623 19.072 -3.661 1.00 4.35 H new ATOM 0 HA LYS A 57 2.479 21.386 -2.250 1.00 53.43 H new ATOM 0 HB2 LYS A 57 2.013 20.660 -5.173 1.00 31.05 H new ATOM 0 HB3 LYS A 57 0.910 21.672 -4.262 1.00 31.05 H new ATOM 0 HG2 LYS A 57 2.748 23.303 -3.860 1.00 2.55 H new ATOM 0 HG3 LYS A 57 3.839 22.294 -4.790 1.00 2.55 H new ATOM 0 HD2 LYS A 57 3.052 24.064 -6.239 1.00 71.12 H new ATOM 0 HD3 LYS A 57 2.341 22.561 -6.792 1.00 71.12 H new ATOM 0 HE2 LYS A 57 0.863 24.446 -4.922 1.00 1.34 H new ATOM 0 HE3 LYS A 57 0.805 24.633 -6.663 1.00 1.34 H new ATOM 0 HZ1 LYS A 57 -0.854 23.188 -6.648 1.00 31.34 H new ATOM 0 HZ2 LYS A 57 0.243 21.970 -6.202 1.00 31.34 H new ATOM 0 HZ3 LYS A 57 -0.618 22.816 -5.008 1.00 31.34 H new ATOM 929 N ASN A 58 0.170 20.166 -2.099 1.00 74.12 N ATOM 930 CA ASN A 58 -1.005 19.337 -1.813 1.00 50.41 C ATOM 931 C ASN A 58 -1.605 18.822 -3.131 1.00 70.12 C ATOM 932 O ASN A 58 -2.021 19.611 -3.981 1.00 15.42 O ATOM 933 CB ASN A 58 -2.046 20.143 -1.028 1.00 1.41 C ATOM 934 CG ASN A 58 -3.295 19.336 -0.720 1.00 23.34 C ATOM 935 OD1 ASN A 58 -3.239 18.127 -0.526 1.00 21.13 O ATOM 936 ND2 ASN A 58 -4.433 19.999 -0.695 1.00 45.30 N ATOM 0 H ASN A 58 0.066 21.148 -1.843 1.00 74.12 H new ATOM 0 HA ASN A 58 -0.703 18.485 -1.204 1.00 50.41 H new ATOM 0 HB2 ASN A 58 -1.603 20.491 -0.095 1.00 1.41 H new ATOM 0 HB3 ASN A 58 -2.322 21.029 -1.600 1.00 1.41 H new ATOM 0 HD21 ASN A 58 -5.306 19.506 -0.510 1.00 45.30 H new ATOM 0 HD22 ASN A 58 -4.441 21.005 -0.861 1.00 45.30 H new ATOM 943 N LEU A 59 -1.641 17.503 -3.293 1.00 65.53 N ATOM 944 CA LEU A 59 -1.989 16.895 -4.580 1.00 1.32 C ATOM 945 C LEU A 59 -3.508 16.846 -4.840 1.00 72.34 C ATOM 946 O LEU A 59 -4.075 17.762 -5.442 1.00 61.13 O ATOM 947 CB LEU A 59 -1.380 15.485 -4.672 1.00 43.25 C ATOM 948 CG LEU A 59 0.149 15.422 -4.547 1.00 72.22 C ATOM 949 CD1 LEU A 59 0.640 13.983 -4.656 1.00 11.55 C ATOM 950 CD2 LEU A 59 0.817 16.304 -5.601 1.00 2.52 C ATOM 0 H LEU A 59 -1.434 16.833 -2.553 1.00 65.53 H new ATOM 0 HA LEU A 59 -1.568 17.533 -5.357 1.00 1.32 H new ATOM 0 HB2 LEU A 59 -1.818 14.866 -3.889 1.00 43.25 H new ATOM 0 HB3 LEU A 59 -1.669 15.044 -5.626 1.00 43.25 H new ATOM 0 HG LEU A 59 0.425 15.802 -3.563 1.00 72.22 H new ATOM 0 HD11 LEU A 59 1.726 13.961 -4.565 1.00 11.55 H new ATOM 0 HD12 LEU A 59 0.197 13.386 -3.859 1.00 11.55 H new ATOM 0 HD13 LEU A 59 0.349 13.571 -5.622 1.00 11.55 H new ATOM 0 HD21 LEU A 59 1.900 16.243 -5.493 1.00 2.52 H new ATOM 0 HD22 LEU A 59 0.532 15.962 -6.596 1.00 2.52 H new ATOM 0 HD23 LEU A 59 0.496 17.337 -5.467 1.00 2.52 H new ATOM 962 N ARG A 60 -4.159 15.766 -4.407 1.00 13.32 N ATOM 963 CA ARG A 60 -5.575 15.524 -4.726 1.00 20.31 C ATOM 964 C ARG A 60 -6.410 15.302 -3.450 1.00 24.10 C ATOM 965 O ARG A 60 -5.982 15.648 -2.349 1.00 71.25 O ATOM 966 CB ARG A 60 -5.704 14.301 -5.664 1.00 15.22 C ATOM 967 CG ARG A 60 -5.320 14.556 -7.126 1.00 21.41 C ATOM 968 CD ARG A 60 -3.815 14.700 -7.329 1.00 54.10 C ATOM 969 NE ARG A 60 -3.475 14.907 -8.733 1.00 43.52 N ATOM 970 CZ ARG A 60 -2.305 15.291 -9.165 1.00 50.22 C ATOM 971 NH1 ARG A 60 -1.334 15.531 -8.345 1.00 3.24 N ATOM 972 NH2 ARG A 60 -2.106 15.435 -10.432 1.00 45.42 N ATOM 0 H ARG A 60 -3.731 15.040 -3.832 1.00 13.32 H new ATOM 0 HA ARG A 60 -5.962 16.410 -5.230 1.00 20.31 H new ATOM 0 HB2 ARG A 60 -5.078 13.498 -5.275 1.00 15.22 H new ATOM 0 HB3 ARG A 60 -6.734 13.946 -5.632 1.00 15.22 H new ATOM 0 HG2 ARG A 60 -5.687 13.735 -7.741 1.00 21.41 H new ATOM 0 HG3 ARG A 60 -5.817 15.462 -7.474 1.00 21.41 H new ATOM 0 HD2 ARG A 60 -3.447 15.539 -6.738 1.00 54.10 H new ATOM 0 HD3 ARG A 60 -3.311 13.806 -6.961 1.00 54.10 H new ATOM 0 HE ARG A 60 -4.204 14.740 -9.426 1.00 43.52 H new ATOM 0 HH11 ARG A 60 -1.475 15.421 -7.341 1.00 3.24 H new ATOM 0 HH12 ARG A 60 -0.427 15.830 -8.702 1.00 3.24 H new ATOM 0 HH21 ARG A 60 -2.862 15.249 -11.091 1.00 45.42 H new ATOM 0 HH22 ARG A 60 -1.193 15.735 -10.774 1.00 45.42 H new ATOM 986 N LYS A 61 -7.616 14.753 -3.613 1.00 32.24 N ATOM 987 CA LYS A 61 -8.479 14.407 -2.475 1.00 34.32 C ATOM 988 C LYS A 61 -8.978 12.954 -2.580 1.00 52.11 C ATOM 989 O LYS A 61 -8.466 12.059 -1.912 1.00 45.54 O ATOM 990 CB LYS A 61 -9.671 15.376 -2.401 1.00 53.41 C ATOM 991 CG LYS A 61 -9.255 16.840 -2.314 1.00 54.13 C ATOM 992 CD LYS A 61 -10.451 17.780 -2.208 1.00 33.14 C ATOM 993 CE LYS A 61 -10.007 19.233 -2.073 1.00 24.03 C ATOM 994 NZ LYS A 61 -9.154 19.442 -0.871 1.00 74.50 N ATOM 0 H LYS A 61 -8.020 14.537 -4.524 1.00 32.24 H new ATOM 0 HA LYS A 61 -7.891 14.497 -1.562 1.00 34.32 H new ATOM 0 HB2 LYS A 61 -10.299 15.236 -3.281 1.00 53.41 H new ATOM 0 HB3 LYS A 61 -10.280 15.126 -1.532 1.00 53.41 H new ATOM 0 HG2 LYS A 61 -8.609 16.980 -1.448 1.00 54.13 H new ATOM 0 HG3 LYS A 61 -8.668 17.101 -3.195 1.00 54.13 H new ATOM 0 HD2 LYS A 61 -11.081 17.671 -3.091 1.00 33.14 H new ATOM 0 HD3 LYS A 61 -11.059 17.502 -1.347 1.00 33.14 H new ATOM 0 HE2 LYS A 61 -9.456 19.529 -2.966 1.00 24.03 H new ATOM 0 HE3 LYS A 61 -10.884 19.877 -2.012 1.00 24.03 H new ATOM 0 HZ1 LYS A 61 -9.083 20.460 -0.669 1.00 74.50 H new ATOM 0 HZ2 LYS A 61 -9.578 18.956 -0.055 1.00 74.50 H new ATOM 0 HZ3 LYS A 61 -8.204 19.057 -1.048 1.00 74.50 H new ATOM 1008 N GLU A 62 -9.965 12.720 -3.443 1.00 41.20 N ATOM 1009 CA GLU A 62 -10.527 11.374 -3.632 1.00 32.31 C ATOM 1010 C GLU A 62 -9.744 10.578 -4.691 1.00 22.21 C ATOM 1011 O GLU A 62 -9.815 9.348 -4.737 1.00 70.41 O ATOM 1012 CB GLU A 62 -12.007 11.471 -4.042 1.00 43.42 C ATOM 1013 CG GLU A 62 -12.678 10.115 -4.257 1.00 15.12 C ATOM 1014 CD GLU A 62 -14.120 10.231 -4.719 1.00 43.34 C ATOM 1015 OE1 GLU A 62 -14.348 10.521 -5.912 1.00 74.51 O ATOM 1016 OE2 GLU A 62 -15.037 10.028 -3.891 1.00 42.11 O ATOM 0 H GLU A 62 -10.395 13.440 -4.024 1.00 41.20 H new ATOM 0 HA GLU A 62 -10.446 10.844 -2.683 1.00 32.31 H new ATOM 0 HB2 GLU A 62 -12.552 12.018 -3.273 1.00 43.42 H new ATOM 0 HB3 GLU A 62 -12.082 12.053 -4.961 1.00 43.42 H new ATOM 0 HG2 GLU A 62 -12.111 9.548 -4.995 1.00 15.12 H new ATOM 0 HG3 GLU A 62 -12.645 9.548 -3.326 1.00 15.12 H new ATOM 1023 N ALA A 63 -8.977 11.282 -5.520 1.00 70.11 N ATOM 1024 CA ALA A 63 -8.294 10.656 -6.661 1.00 61.44 C ATOM 1025 C ALA A 63 -7.160 9.720 -6.217 1.00 53.40 C ATOM 1026 O ALA A 63 -6.509 9.948 -5.194 1.00 50.42 O ATOM 1027 CB ALA A 63 -7.758 11.723 -7.609 1.00 24.10 C ATOM 0 H ALA A 63 -8.810 12.284 -5.428 1.00 70.11 H new ATOM 0 HA ALA A 63 -9.031 10.047 -7.184 1.00 61.44 H new ATOM 0 HB1 ALA A 63 -7.255 11.244 -8.449 1.00 24.10 H new ATOM 0 HB2 ALA A 63 -8.585 12.329 -7.979 1.00 24.10 H new ATOM 0 HB3 ALA A 63 -7.051 12.360 -7.078 1.00 24.10 H new ATOM 1033 N PHE A 64 -6.926 8.673 -7.004 1.00 41.15 N ATOM 1034 CA PHE A 64 -5.901 7.675 -6.690 1.00 64.52 C ATOM 1035 C PHE A 64 -4.597 7.936 -7.455 1.00 2.44 C ATOM 1036 O PHE A 64 -4.568 8.637 -8.471 1.00 14.15 O ATOM 1037 CB PHE A 64 -6.415 6.256 -6.997 1.00 4.12 C ATOM 1038 CG PHE A 64 -7.363 5.708 -5.955 1.00 32.53 C ATOM 1039 CD1 PHE A 64 -8.570 6.339 -5.686 1.00 14.54 C ATOM 1040 CD2 PHE A 64 -7.046 4.555 -5.245 1.00 24.43 C ATOM 1041 CE1 PHE A 64 -9.437 5.834 -4.731 1.00 23.32 C ATOM 1042 CE2 PHE A 64 -7.909 4.049 -4.292 1.00 34.31 C ATOM 1043 CZ PHE A 64 -9.104 4.688 -4.034 1.00 40.14 C ATOM 0 H PHE A 64 -7.434 8.491 -7.869 1.00 41.15 H new ATOM 0 HA PHE A 64 -5.687 7.757 -5.624 1.00 64.52 H new ATOM 0 HB2 PHE A 64 -6.919 6.264 -7.964 1.00 4.12 H new ATOM 0 HB3 PHE A 64 -5.562 5.583 -7.088 1.00 4.12 H new ATOM 0 HD1 PHE A 64 -8.836 7.234 -6.228 1.00 14.54 H new ATOM 0 HD2 PHE A 64 -6.113 4.048 -5.441 1.00 24.43 H new ATOM 0 HE1 PHE A 64 -10.372 6.335 -4.531 1.00 23.32 H new ATOM 0 HE2 PHE A 64 -7.648 3.153 -3.749 1.00 34.31 H new ATOM 0 HZ PHE A 64 -9.778 4.293 -3.288 1.00 40.14 H new ATOM 1053 N LEU A 65 -3.518 7.357 -6.951 1.00 23.44 N ATOM 1054 CA LEU A 65 -2.194 7.500 -7.549 1.00 1.31 C ATOM 1055 C LEU A 65 -1.512 6.133 -7.703 1.00 62.02 C ATOM 1056 O LEU A 65 -1.549 5.299 -6.795 1.00 13.53 O ATOM 1057 CB LEU A 65 -1.333 8.431 -6.678 1.00 53.21 C ATOM 1058 CG LEU A 65 -1.672 9.931 -6.789 1.00 72.51 C ATOM 1059 CD1 LEU A 65 -1.149 10.702 -5.581 1.00 31.33 C ATOM 1060 CD2 LEU A 65 -1.093 10.512 -8.073 1.00 44.02 C ATOM 0 H LEU A 65 -3.533 6.773 -6.115 1.00 23.44 H new ATOM 0 HA LEU A 65 -2.304 7.935 -8.542 1.00 1.31 H new ATOM 0 HB2 LEU A 65 -1.437 8.127 -5.636 1.00 53.21 H new ATOM 0 HB3 LEU A 65 -0.286 8.290 -6.948 1.00 53.21 H new ATOM 0 HG LEU A 65 -2.757 10.030 -6.813 1.00 72.51 H new ATOM 0 HD11 LEU A 65 -1.402 11.757 -5.685 1.00 31.33 H new ATOM 0 HD12 LEU A 65 -1.605 10.308 -4.673 1.00 31.33 H new ATOM 0 HD13 LEU A 65 -0.066 10.593 -5.521 1.00 31.33 H new ATOM 0 HD21 LEU A 65 -1.341 11.572 -8.137 1.00 44.02 H new ATOM 0 HD22 LEU A 65 -0.010 10.392 -8.070 1.00 44.02 H new ATOM 0 HD23 LEU A 65 -1.514 9.989 -8.931 1.00 44.02 H new ATOM 1072 N ARG A 66 -0.903 5.905 -8.863 1.00 54.51 N ATOM 1073 CA ARG A 66 -0.135 4.680 -9.105 1.00 63.44 C ATOM 1074 C ARG A 66 1.263 4.800 -8.490 1.00 12.15 C ATOM 1075 O ARG A 66 2.193 5.287 -9.132 1.00 35.40 O ATOM 1076 CB ARG A 66 -0.022 4.396 -10.609 1.00 61.11 C ATOM 1077 CG ARG A 66 -1.338 3.987 -11.261 1.00 22.12 C ATOM 1078 CD ARG A 66 -1.196 3.843 -12.773 1.00 2.32 C ATOM 1079 NE ARG A 66 -0.073 2.980 -13.138 1.00 45.32 N ATOM 1080 CZ ARG A 66 0.972 3.382 -13.807 1.00 34.43 C ATOM 1081 NH1 ARG A 66 1.050 4.604 -14.226 1.00 50.25 N ATOM 1082 NH2 ARG A 66 1.937 2.563 -14.061 1.00 53.03 N ATOM 0 H ARG A 66 -0.924 6.550 -9.653 1.00 54.51 H new ATOM 0 HA ARG A 66 -0.661 3.850 -8.634 1.00 63.44 H new ATOM 0 HB2 ARG A 66 0.359 5.286 -11.109 1.00 61.11 H new ATOM 0 HB3 ARG A 66 0.711 3.605 -10.765 1.00 61.11 H new ATOM 0 HG2 ARG A 66 -1.677 3.043 -10.835 1.00 22.12 H new ATOM 0 HG3 ARG A 66 -2.102 4.731 -11.036 1.00 22.12 H new ATOM 0 HD2 ARG A 66 -2.118 3.433 -13.186 1.00 2.32 H new ATOM 0 HD3 ARG A 66 -1.057 4.828 -13.219 1.00 2.32 H new ATOM 0 HE ARG A 66 -0.109 2.002 -12.851 1.00 45.32 H new ATOM 0 HH11 ARG A 66 0.292 5.259 -14.034 1.00 50.25 H new ATOM 0 HH12 ARG A 66 1.870 4.913 -14.749 1.00 50.25 H new ATOM 0 HH21 ARG A 66 1.884 1.597 -13.738 1.00 53.03 H new ATOM 0 HH22 ARG A 66 2.752 2.882 -14.585 1.00 53.03 H new ATOM 1096 N VAL A 67 1.388 4.378 -7.237 1.00 72.31 N ATOM 1097 CA VAL A 67 2.643 4.498 -6.492 1.00 51.43 C ATOM 1098 C VAL A 67 3.573 3.310 -6.745 1.00 65.51 C ATOM 1099 O VAL A 67 3.194 2.148 -6.578 1.00 14.35 O ATOM 1100 CB VAL A 67 2.370 4.644 -4.973 1.00 20.24 C ATOM 1101 CG1 VAL A 67 3.674 4.705 -4.179 1.00 12.32 C ATOM 1102 CG2 VAL A 67 1.513 5.881 -4.708 1.00 71.12 C ATOM 0 H VAL A 67 0.630 3.945 -6.709 1.00 72.31 H new ATOM 0 HA VAL A 67 3.143 5.397 -6.852 1.00 51.43 H new ATOM 0 HB VAL A 67 1.823 3.763 -4.638 1.00 20.24 H new ATOM 0 HG11 VAL A 67 3.449 4.807 -3.117 1.00 12.32 H new ATOM 0 HG12 VAL A 67 4.243 3.790 -4.343 1.00 12.32 H new ATOM 0 HG13 VAL A 67 4.262 5.561 -4.510 1.00 12.32 H new ATOM 0 HG21 VAL A 67 1.328 5.973 -3.638 1.00 71.12 H new ATOM 0 HG22 VAL A 67 2.036 6.769 -5.063 1.00 71.12 H new ATOM 0 HG23 VAL A 67 0.563 5.785 -5.234 1.00 71.12 H new ATOM 1112 N TYR A 68 4.801 3.623 -7.142 1.00 51.21 N ATOM 1113 CA TYR A 68 5.778 2.609 -7.529 1.00 45.14 C ATOM 1114 C TYR A 68 6.611 2.120 -6.332 1.00 43.31 C ATOM 1115 O TYR A 68 7.209 2.917 -5.616 1.00 54.05 O ATOM 1116 CB TYR A 68 6.703 3.178 -8.604 1.00 1.01 C ATOM 1117 CG TYR A 68 7.483 2.112 -9.333 1.00 43.01 C ATOM 1118 CD1 TYR A 68 6.932 1.476 -10.434 1.00 22.22 C ATOM 1119 CD2 TYR A 68 8.752 1.732 -8.916 1.00 4.11 C ATOM 1120 CE1 TYR A 68 7.623 0.489 -11.104 1.00 4.12 C ATOM 1121 CE2 TYR A 68 9.453 0.747 -9.584 1.00 63.11 C ATOM 1122 CZ TYR A 68 8.884 0.128 -10.676 1.00 54.45 C ATOM 1123 OH TYR A 68 9.573 -0.861 -11.340 1.00 13.31 O ATOM 0 H TYR A 68 5.147 4.580 -7.205 1.00 51.21 H new ATOM 0 HA TYR A 68 5.230 1.751 -7.918 1.00 45.14 H new ATOM 0 HB2 TYR A 68 6.111 3.743 -9.323 1.00 1.01 H new ATOM 0 HB3 TYR A 68 7.399 3.879 -8.143 1.00 1.01 H new ATOM 0 HD1 TYR A 68 5.946 1.758 -10.772 1.00 22.22 H new ATOM 0 HD2 TYR A 68 9.197 2.213 -8.058 1.00 4.11 H new ATOM 0 HE1 TYR A 68 7.180 0.001 -11.959 1.00 4.12 H new ATOM 0 HE2 TYR A 68 10.441 0.464 -9.253 1.00 63.11 H new ATOM 0 HH TYR A 68 10.445 -0.995 -10.914 1.00 13.31 H new ATOM 1133 N HIS A 69 6.667 0.802 -6.152 1.00 15.41 N ATOM 1134 CA HIS A 69 7.420 0.183 -5.051 1.00 44.41 C ATOM 1135 C HIS A 69 8.865 -0.175 -5.458 1.00 73.55 C ATOM 1136 O HIS A 69 9.094 -0.813 -6.487 1.00 44.34 O ATOM 1137 CB HIS A 69 6.683 -1.078 -4.569 1.00 2.13 C ATOM 1138 CG HIS A 69 7.429 -1.882 -3.545 1.00 14.15 C ATOM 1139 ND1 HIS A 69 7.863 -3.169 -3.772 1.00 44.31 N ATOM 1140 CD2 HIS A 69 7.818 -1.579 -2.281 1.00 24.41 C ATOM 1141 CE1 HIS A 69 8.483 -3.622 -2.703 1.00 43.44 C ATOM 1142 NE2 HIS A 69 8.472 -2.679 -1.784 1.00 15.22 N ATOM 0 H HIS A 69 6.196 0.131 -6.759 1.00 15.41 H new ATOM 0 HA HIS A 69 7.484 0.912 -4.243 1.00 44.41 H new ATOM 0 HB2 HIS A 69 5.721 -0.783 -4.150 1.00 2.13 H new ATOM 0 HB3 HIS A 69 6.475 -1.713 -5.430 1.00 2.13 H new ATOM 0 HD1 HIS A 69 7.725 -3.692 -4.637 1.00 44.31 H new ATOM 0 HD2 HIS A 69 7.646 -0.647 -1.763 1.00 24.41 H new ATOM 0 HE1 HIS A 69 8.926 -4.601 -2.597 1.00 43.44 H new ATOM 1151 N SER A 70 9.828 0.241 -4.634 1.00 3.33 N ATOM 1152 CA SER A 70 11.244 -0.128 -4.819 1.00 4.03 C ATOM 1153 C SER A 70 11.918 -0.422 -3.467 1.00 23.11 C ATOM 1154 O SER A 70 11.357 -0.136 -2.409 1.00 65.35 O ATOM 1155 CB SER A 70 12.010 0.992 -5.538 1.00 61.30 C ATOM 1156 OG SER A 70 11.969 2.202 -4.800 1.00 45.20 O ATOM 0 H SER A 70 9.657 0.838 -3.825 1.00 3.33 H new ATOM 0 HA SER A 70 11.271 -1.029 -5.431 1.00 4.03 H new ATOM 0 HB2 SER A 70 13.047 0.689 -5.686 1.00 61.30 H new ATOM 0 HB3 SER A 70 11.580 1.152 -6.527 1.00 61.30 H new ATOM 0 HG SER A 70 11.544 2.901 -5.340 1.00 45.20 H new ATOM 1162 N ASP A 71 13.126 -0.984 -3.505 1.00 2.24 N ATOM 1163 CA ASP A 71 13.853 -1.336 -2.280 1.00 14.32 C ATOM 1164 C ASP A 71 14.460 -0.102 -1.591 1.00 32.02 C ATOM 1165 O ASP A 71 14.026 0.298 -0.510 1.00 1.51 O ATOM 1166 CB ASP A 71 14.964 -2.344 -2.594 1.00 53.42 C ATOM 1167 CG ASP A 71 14.432 -3.669 -3.105 1.00 75.33 C ATOM 1168 OD1 ASP A 71 14.127 -3.764 -4.312 1.00 12.25 O ATOM 1169 OD2 ASP A 71 14.321 -4.624 -2.304 1.00 60.42 O ATOM 0 H ASP A 71 13.623 -1.206 -4.368 1.00 2.24 H new ATOM 0 HA ASP A 71 13.131 -1.781 -1.595 1.00 14.32 H new ATOM 0 HB2 ASP A 71 15.636 -1.917 -3.339 1.00 53.42 H new ATOM 0 HB3 ASP A 71 15.555 -2.518 -1.695 1.00 53.42 H new ATOM 1174 N LYS A 72 15.455 0.504 -2.236 1.00 30.21 N ATOM 1175 CA LYS A 72 16.258 1.567 -1.608 1.00 44.25 C ATOM 1176 C LYS A 72 15.651 2.974 -1.781 1.00 1.35 C ATOM 1177 O LYS A 72 16.176 3.954 -1.244 1.00 3.12 O ATOM 1178 CB LYS A 72 17.690 1.513 -2.163 1.00 54.30 C ATOM 1179 CG LYS A 72 17.782 1.639 -3.684 1.00 15.31 C ATOM 1180 CD LYS A 72 19.116 1.106 -4.214 1.00 20.31 C ATOM 1181 CE LYS A 72 19.233 1.246 -5.729 1.00 32.02 C ATOM 1182 NZ LYS A 72 19.430 2.657 -6.148 1.00 54.21 N ATOM 0 H LYS A 72 15.729 0.282 -3.193 1.00 30.21 H new ATOM 0 HA LYS A 72 16.266 1.381 -0.534 1.00 44.25 H new ATOM 0 HB2 LYS A 72 18.274 2.313 -1.708 1.00 54.30 H new ATOM 0 HB3 LYS A 72 18.149 0.572 -1.860 1.00 54.30 H new ATOM 0 HG2 LYS A 72 16.961 1.090 -4.145 1.00 15.31 H new ATOM 0 HG3 LYS A 72 17.667 2.684 -3.971 1.00 15.31 H new ATOM 0 HD2 LYS A 72 19.935 1.644 -3.737 1.00 20.31 H new ATOM 0 HD3 LYS A 72 19.221 0.057 -3.939 1.00 20.31 H new ATOM 0 HE2 LYS A 72 20.069 0.643 -6.084 1.00 32.02 H new ATOM 0 HE3 LYS A 72 18.332 0.851 -6.199 1.00 32.02 H new ATOM 0 HZ1 LYS A 72 19.521 2.702 -7.183 1.00 54.21 H new ATOM 0 HZ2 LYS A 72 18.613 3.226 -5.847 1.00 54.21 H new ATOM 0 HZ3 LYS A 72 20.294 3.032 -5.708 1.00 54.21 H new ATOM 1196 N LYS A 73 14.554 3.075 -2.525 1.00 62.41 N ATOM 1197 CA LYS A 73 13.829 4.348 -2.671 1.00 22.21 C ATOM 1198 C LYS A 73 12.441 4.287 -2.022 1.00 74.04 C ATOM 1199 O LYS A 73 11.885 5.316 -1.637 1.00 42.13 O ATOM 1200 CB LYS A 73 13.678 4.723 -4.154 1.00 55.40 C ATOM 1201 CG LYS A 73 14.900 5.395 -4.765 1.00 21.44 C ATOM 1202 CD LYS A 73 14.633 5.820 -6.208 1.00 44.52 C ATOM 1203 CE LYS A 73 15.732 6.727 -6.747 1.00 30.30 C ATOM 1204 NZ LYS A 73 15.778 8.033 -6.034 1.00 50.45 N ATOM 0 H LYS A 73 14.142 2.296 -3.039 1.00 62.41 H new ATOM 0 HA LYS A 73 14.418 5.110 -2.161 1.00 22.21 H new ATOM 0 HB2 LYS A 73 13.454 3.820 -4.722 1.00 55.40 H new ATOM 0 HB3 LYS A 73 12.822 5.389 -4.262 1.00 55.40 H new ATOM 0 HG2 LYS A 73 15.174 6.267 -4.171 1.00 21.44 H new ATOM 0 HG3 LYS A 73 15.748 4.710 -4.736 1.00 21.44 H new ATOM 0 HD2 LYS A 73 14.552 4.934 -6.838 1.00 44.52 H new ATOM 0 HD3 LYS A 73 13.676 6.338 -6.262 1.00 44.52 H new ATOM 0 HE2 LYS A 73 16.695 6.227 -6.649 1.00 30.30 H new ATOM 0 HE3 LYS A 73 15.570 6.900 -7.811 1.00 30.30 H new ATOM 0 HZ1 LYS A 73 16.322 8.717 -6.597 1.00 50.45 H new ATOM 0 HZ2 LYS A 73 14.810 8.389 -5.898 1.00 50.45 H new ATOM 0 HZ3 LYS A 73 16.234 7.907 -5.108 1.00 50.45 H new ATOM 1218 N GLY A 74 11.883 3.084 -1.904 1.00 4.05 N ATOM 1219 CA GLY A 74 10.508 2.948 -1.446 1.00 20.30 C ATOM 1220 C GLY A 74 9.511 3.308 -2.542 1.00 24.41 C ATOM 1221 O GLY A 74 8.759 2.457 -3.016 1.00 31.00 O ATOM 0 H GLY A 74 12.355 2.205 -2.116 1.00 4.05 H new ATOM 0 HA2 GLY A 74 10.333 1.924 -1.117 1.00 20.30 H new ATOM 0 HA3 GLY A 74 10.347 3.592 -0.581 1.00 20.30 H new ATOM 1225 N VAL A 75 9.521 4.579 -2.948 1.00 4.40 N ATOM 1226 CA VAL A 75 8.694 5.059 -4.061 1.00 2.51 C ATOM 1227 C VAL A 75 9.557 5.741 -5.135 1.00 10.44 C ATOM 1228 O VAL A 75 10.239 6.730 -4.865 1.00 70.14 O ATOM 1229 CB VAL A 75 7.600 6.042 -3.573 1.00 33.40 C ATOM 1230 CG1 VAL A 75 6.790 6.591 -4.750 1.00 1.43 C ATOM 1231 CG2 VAL A 75 6.682 5.358 -2.562 1.00 33.13 C ATOM 0 H VAL A 75 10.098 5.302 -2.519 1.00 4.40 H new ATOM 0 HA VAL A 75 8.207 4.186 -4.497 1.00 2.51 H new ATOM 0 HB VAL A 75 8.093 6.882 -3.083 1.00 33.40 H new ATOM 0 HG11 VAL A 75 6.029 7.278 -4.379 1.00 1.43 H new ATOM 0 HG12 VAL A 75 7.454 7.120 -5.434 1.00 1.43 H new ATOM 0 HG13 VAL A 75 6.309 5.767 -5.276 1.00 1.43 H new ATOM 0 HG21 VAL A 75 5.919 6.062 -2.229 1.00 33.13 H new ATOM 0 HG22 VAL A 75 6.203 4.498 -3.029 1.00 33.13 H new ATOM 0 HG23 VAL A 75 7.268 5.026 -1.705 1.00 33.13 H new ATOM 1241 N SER A 76 9.527 5.204 -6.353 1.00 15.14 N ATOM 1242 CA SER A 76 10.325 5.751 -7.461 1.00 41.11 C ATOM 1243 C SER A 76 9.529 6.772 -8.289 1.00 75.21 C ATOM 1244 O SER A 76 10.113 7.650 -8.924 1.00 51.01 O ATOM 1245 CB SER A 76 10.816 4.626 -8.381 1.00 22.31 C ATOM 1246 OG SER A 76 11.614 5.127 -9.442 1.00 21.23 O ATOM 0 H SER A 76 8.962 4.392 -6.603 1.00 15.14 H new ATOM 0 HA SER A 76 11.180 6.260 -7.016 1.00 41.11 H new ATOM 0 HB2 SER A 76 11.393 3.906 -7.800 1.00 22.31 H new ATOM 0 HB3 SER A 76 9.959 4.091 -8.791 1.00 22.31 H new ATOM 0 HG SER A 76 11.911 4.384 -10.007 1.00 21.23 H new ATOM 1252 N ALA A 77 8.202 6.641 -8.289 1.00 44.22 N ATOM 1253 CA ALA A 77 7.330 7.539 -9.063 1.00 64.53 C ATOM 1254 C ALA A 77 5.846 7.318 -8.735 1.00 71.21 C ATOM 1255 O ALA A 77 5.479 6.320 -8.110 1.00 62.01 O ATOM 1256 CB ALA A 77 7.564 7.348 -10.562 1.00 55.22 C ATOM 0 H ALA A 77 7.703 5.923 -7.763 1.00 44.22 H new ATOM 0 HA ALA A 77 7.587 8.561 -8.783 1.00 64.53 H new ATOM 0 HB1 ALA A 77 6.912 8.019 -11.121 1.00 55.22 H new ATOM 0 HB2 ALA A 77 8.604 7.572 -10.799 1.00 55.22 H new ATOM 0 HB3 ALA A 77 7.343 6.316 -10.836 1.00 55.22 H new ATOM 1262 N TRP A 78 5.001 8.258 -9.162 1.00 53.02 N ATOM 1263 CA TRP A 78 3.545 8.147 -8.988 1.00 2.14 C ATOM 1264 C TRP A 78 2.796 8.911 -10.091 1.00 11.41 C ATOM 1265 O TRP A 78 3.148 10.042 -10.425 1.00 2.34 O ATOM 1266 CB TRP A 78 3.115 8.651 -7.596 1.00 14.41 C ATOM 1267 CG TRP A 78 3.750 9.953 -7.181 1.00 0.44 C ATOM 1268 CD1 TRP A 78 4.884 10.102 -6.435 1.00 61.34 C ATOM 1269 CD2 TRP A 78 3.289 11.285 -7.469 1.00 34.20 C ATOM 1270 NE1 TRP A 78 5.157 11.435 -6.241 1.00 42.51 N ATOM 1271 CE2 TRP A 78 4.194 12.180 -6.867 1.00 44.33 C ATOM 1272 CE3 TRP A 78 2.201 11.806 -8.175 1.00 35.11 C ATOM 1273 CZ2 TRP A 78 4.045 13.563 -6.953 1.00 14.31 C ATOM 1274 CZ3 TRP A 78 2.055 13.178 -8.261 1.00 11.02 C ATOM 1275 CH2 TRP A 78 2.971 14.043 -7.651 1.00 72.20 C ATOM 0 H TRP A 78 5.299 9.111 -9.634 1.00 53.02 H new ATOM 0 HA TRP A 78 3.283 7.092 -9.066 1.00 2.14 H new ATOM 0 HB2 TRP A 78 2.032 8.770 -7.585 1.00 14.41 H new ATOM 0 HB3 TRP A 78 3.360 7.889 -6.856 1.00 14.41 H new ATOM 0 HD1 TRP A 78 5.482 9.288 -6.052 1.00 61.34 H new ATOM 0 HE1 TRP A 78 5.948 11.808 -5.716 1.00 42.51 H new ATOM 0 HE3 TRP A 78 1.486 11.147 -8.646 1.00 35.11 H new ATOM 0 HZ2 TRP A 78 4.752 14.232 -6.485 1.00 14.31 H new ATOM 0 HZ3 TRP A 78 1.220 13.590 -8.808 1.00 11.02 H new ATOM 0 HH2 TRP A 78 2.827 15.110 -7.733 1.00 72.20 H new ATOM 1286 N GLU A 79 1.776 8.282 -10.672 1.00 10.43 N ATOM 1287 CA GLU A 79 0.968 8.928 -11.715 1.00 31.42 C ATOM 1288 C GLU A 79 -0.514 9.003 -11.320 1.00 64.15 C ATOM 1289 O GLU A 79 -1.050 8.099 -10.678 1.00 72.30 O ATOM 1290 CB GLU A 79 1.129 8.197 -13.058 1.00 31.10 C ATOM 1291 CG GLU A 79 2.572 8.158 -13.563 1.00 51.40 C ATOM 1292 CD GLU A 79 2.692 7.614 -14.978 1.00 52.53 C ATOM 1293 OE1 GLU A 79 2.745 6.381 -15.145 1.00 55.00 O ATOM 1294 OE2 GLU A 79 2.729 8.426 -15.931 1.00 3.11 O ATOM 0 H GLU A 79 1.487 7.331 -10.443 1.00 10.43 H new ATOM 0 HA GLU A 79 1.334 9.949 -11.825 1.00 31.42 H new ATOM 0 HB2 GLU A 79 0.762 7.176 -12.953 1.00 31.10 H new ATOM 0 HB3 GLU A 79 0.504 8.686 -13.806 1.00 31.10 H new ATOM 0 HG2 GLU A 79 2.990 9.164 -13.530 1.00 51.40 H new ATOM 0 HG3 GLU A 79 3.170 7.542 -12.891 1.00 51.40 H new ATOM 1301 N GLU A 80 -1.165 10.088 -11.727 1.00 42.50 N ATOM 1302 CA GLU A 80 -2.554 10.385 -11.346 1.00 0.51 C ATOM 1303 C GLU A 80 -3.570 9.525 -12.124 1.00 42.01 C ATOM 1304 O GLU A 80 -3.553 9.490 -13.357 1.00 73.23 O ATOM 1305 CB GLU A 80 -2.821 11.870 -11.606 1.00 31.32 C ATOM 1306 CG GLU A 80 -4.241 12.325 -11.300 1.00 73.34 C ATOM 1307 CD GLU A 80 -4.521 13.709 -11.863 1.00 61.52 C ATOM 1308 OE1 GLU A 80 -4.292 13.918 -13.073 1.00 52.23 O ATOM 1309 OE2 GLU A 80 -4.926 14.607 -11.097 1.00 44.11 O ATOM 0 H GLU A 80 -0.747 10.794 -12.334 1.00 42.50 H new ATOM 0 HA GLU A 80 -2.680 10.147 -10.290 1.00 0.51 H new ATOM 0 HB2 GLU A 80 -2.128 12.460 -11.006 1.00 31.32 H new ATOM 0 HB3 GLU A 80 -2.602 12.087 -12.652 1.00 31.32 H new ATOM 0 HG2 GLU A 80 -4.950 11.611 -11.719 1.00 73.34 H new ATOM 0 HG3 GLU A 80 -4.396 12.333 -10.221 1.00 73.34 H new ATOM 1316 N VAL A 81 -4.467 8.846 -11.397 1.00 52.33 N ATOM 1317 CA VAL A 81 -5.516 8.016 -12.015 1.00 25.23 C ATOM 1318 C VAL A 81 -6.860 8.125 -11.268 1.00 51.53 C ATOM 1319 O VAL A 81 -6.906 8.378 -10.062 1.00 11.21 O ATOM 1320 CB VAL A 81 -5.106 6.517 -12.081 1.00 61.24 C ATOM 1321 CG1 VAL A 81 -3.941 6.307 -13.046 1.00 51.13 C ATOM 1322 CG2 VAL A 81 -4.762 5.979 -10.691 1.00 73.42 C ATOM 0 H VAL A 81 -4.489 8.854 -10.377 1.00 52.33 H new ATOM 0 HA VAL A 81 -5.638 8.403 -13.027 1.00 25.23 H new ATOM 0 HB VAL A 81 -5.961 5.956 -12.458 1.00 61.24 H new ATOM 0 HG11 VAL A 81 -3.676 5.250 -13.072 1.00 51.13 H new ATOM 0 HG12 VAL A 81 -4.233 6.632 -14.045 1.00 51.13 H new ATOM 0 HG13 VAL A 81 -3.082 6.888 -12.711 1.00 51.13 H new ATOM 0 HG21 VAL A 81 -4.479 4.929 -10.767 1.00 73.42 H new ATOM 0 HG22 VAL A 81 -3.931 6.550 -10.275 1.00 73.42 H new ATOM 0 HG23 VAL A 81 -5.630 6.074 -10.039 1.00 73.42 H new ATOM 1332 N LYS A 82 -7.952 7.939 -12.004 1.00 23.53 N ATOM 1333 CA LYS A 82 -9.297 7.916 -11.419 1.00 13.14 C ATOM 1334 C LYS A 82 -9.634 6.516 -10.888 1.00 12.41 C ATOM 1335 O LYS A 82 -9.207 5.511 -11.449 1.00 1.24 O ATOM 1336 CB LYS A 82 -10.338 8.310 -12.476 1.00 40.30 C ATOM 1337 CG LYS A 82 -10.163 9.716 -13.039 1.00 3.31 C ATOM 1338 CD LYS A 82 -11.072 9.960 -14.245 1.00 30.12 C ATOM 1339 CE LYS A 82 -12.544 9.718 -13.921 1.00 14.55 C ATOM 1340 NZ LYS A 82 -13.054 10.657 -12.887 1.00 15.11 N ATOM 0 H LYS A 82 -7.935 7.801 -13.014 1.00 23.53 H new ATOM 0 HA LYS A 82 -9.318 8.628 -10.594 1.00 13.14 H new ATOM 0 HB2 LYS A 82 -10.293 7.595 -13.297 1.00 40.30 H new ATOM 0 HB3 LYS A 82 -11.332 8.229 -12.037 1.00 40.30 H new ATOM 0 HG2 LYS A 82 -10.384 10.449 -12.263 1.00 3.31 H new ATOM 0 HG3 LYS A 82 -9.123 9.864 -13.331 1.00 3.31 H new ATOM 0 HD2 LYS A 82 -10.943 10.985 -14.593 1.00 30.12 H new ATOM 0 HD3 LYS A 82 -10.770 9.306 -15.063 1.00 30.12 H new ATOM 0 HE2 LYS A 82 -13.136 9.825 -14.830 1.00 14.55 H new ATOM 0 HE3 LYS A 82 -12.674 8.693 -13.574 1.00 14.55 H new ATOM 0 HZ1 LYS A 82 -14.065 10.478 -12.724 1.00 15.11 H new ATOM 0 HZ2 LYS A 82 -12.530 10.515 -12.000 1.00 15.11 H new ATOM 0 HZ3 LYS A 82 -12.924 11.636 -13.213 1.00 15.11 H new ATOM 1354 N LYS A 83 -10.435 6.448 -9.831 1.00 64.42 N ATOM 1355 CA LYS A 83 -10.825 5.153 -9.252 1.00 41.13 C ATOM 1356 C LYS A 83 -12.012 4.530 -10.005 1.00 43.05 C ATOM 1357 O LYS A 83 -12.532 3.483 -9.617 1.00 12.53 O ATOM 1358 CB LYS A 83 -11.123 5.300 -7.746 1.00 3.33 C ATOM 1359 CG LYS A 83 -12.058 6.455 -7.368 1.00 14.12 C ATOM 1360 CD LYS A 83 -13.521 6.146 -7.669 1.00 52.24 C ATOM 1361 CE LYS A 83 -14.433 7.310 -7.305 1.00 61.24 C ATOM 1362 NZ LYS A 83 -15.848 7.026 -7.655 1.00 53.34 N ATOM 0 H LYS A 83 -10.827 7.261 -9.356 1.00 64.42 H new ATOM 0 HA LYS A 83 -9.984 4.468 -9.364 1.00 41.13 H new ATOM 0 HB2 LYS A 83 -11.561 4.369 -7.387 1.00 3.33 H new ATOM 0 HB3 LYS A 83 -10.179 5.432 -7.218 1.00 3.33 H new ATOM 0 HG2 LYS A 83 -11.948 6.675 -6.306 1.00 14.12 H new ATOM 0 HG3 LYS A 83 -11.760 7.352 -7.912 1.00 14.12 H new ATOM 0 HD2 LYS A 83 -13.633 5.915 -8.728 1.00 52.24 H new ATOM 0 HD3 LYS A 83 -13.826 5.258 -7.115 1.00 52.24 H new ATOM 0 HE2 LYS A 83 -14.356 7.513 -6.237 1.00 61.24 H new ATOM 0 HE3 LYS A 83 -14.102 8.209 -7.825 1.00 61.24 H new ATOM 0 HZ1 LYS A 83 -16.326 7.912 -7.917 1.00 53.34 H new ATOM 0 HZ2 LYS A 83 -15.881 6.365 -8.457 1.00 53.34 H new ATOM 0 HZ3 LYS A 83 -16.330 6.602 -6.837 1.00 53.34 H new ATOM 1376 N ASP A 84 -12.442 5.188 -11.081 1.00 72.31 N ATOM 1377 CA ASP A 84 -13.520 4.671 -11.933 1.00 74.43 C ATOM 1378 C ASP A 84 -12.987 4.166 -13.287 1.00 74.22 C ATOM 1379 O ASP A 84 -13.715 3.525 -14.048 1.00 64.50 O ATOM 1380 CB ASP A 84 -14.577 5.756 -12.149 1.00 51.31 C ATOM 1381 CG ASP A 84 -15.111 6.293 -10.837 1.00 45.15 C ATOM 1382 OD1 ASP A 84 -15.733 5.518 -10.079 1.00 64.34 O ATOM 1383 OD2 ASP A 84 -14.892 7.484 -10.537 1.00 72.31 O ATOM 0 H ASP A 84 -12.061 6.083 -11.387 1.00 72.31 H new ATOM 0 HA ASP A 84 -13.972 3.820 -11.423 1.00 74.43 H new ATOM 0 HB2 ASP A 84 -14.146 6.573 -12.727 1.00 51.31 H new ATOM 0 HB3 ASP A 84 -15.400 5.349 -12.737 1.00 51.31 H new ATOM 1388 N GLU A 85 -11.719 4.456 -13.584 1.00 51.55 N ATOM 1389 CA GLU A 85 -11.088 3.995 -14.834 1.00 31.44 C ATOM 1390 C GLU A 85 -10.269 2.712 -14.606 1.00 34.11 C ATOM 1391 O GLU A 85 -9.809 2.074 -15.557 1.00 41.32 O ATOM 1392 CB GLU A 85 -10.171 5.085 -15.410 1.00 23.23 C ATOM 1393 CG GLU A 85 -8.910 5.332 -14.585 1.00 13.33 C ATOM 1394 CD GLU A 85 -7.976 6.351 -15.219 1.00 35.22 C ATOM 1395 OE1 GLU A 85 -7.174 5.964 -16.096 1.00 41.33 O ATOM 1396 OE2 GLU A 85 -8.045 7.539 -14.851 1.00 64.42 O ATOM 0 H GLU A 85 -11.106 5.006 -12.982 1.00 51.55 H new ATOM 0 HA GLU A 85 -11.888 3.780 -15.543 1.00 31.44 H new ATOM 0 HB2 GLU A 85 -9.882 4.805 -16.423 1.00 23.23 H new ATOM 0 HB3 GLU A 85 -10.733 6.016 -15.485 1.00 23.23 H new ATOM 0 HG2 GLU A 85 -9.194 5.677 -13.591 1.00 13.33 H new ATOM 0 HG3 GLU A 85 -8.377 4.390 -14.455 1.00 13.33 H new ATOM 1403 N LEU A 86 -10.077 2.357 -13.339 1.00 61.22 N ATOM 1404 CA LEU A 86 -9.294 1.171 -12.963 1.00 34.11 C ATOM 1405 C LEU A 86 -10.121 -0.125 -13.106 1.00 4.34 C ATOM 1406 O LEU A 86 -11.351 -0.082 -13.121 1.00 54.22 O ATOM 1407 CB LEU A 86 -8.793 1.327 -11.516 1.00 5.40 C ATOM 1408 CG LEU A 86 -7.889 2.548 -11.261 1.00 50.45 C ATOM 1409 CD1 LEU A 86 -7.483 2.627 -9.790 1.00 31.01 C ATOM 1410 CD2 LEU A 86 -6.650 2.505 -12.158 1.00 25.51 C ATOM 0 H LEU A 86 -10.454 2.875 -12.545 1.00 61.22 H new ATOM 0 HA LEU A 86 -8.444 1.092 -13.640 1.00 34.11 H new ATOM 0 HB2 LEU A 86 -9.657 1.391 -10.855 1.00 5.40 H new ATOM 0 HB3 LEU A 86 -8.246 0.426 -11.239 1.00 5.40 H new ATOM 0 HG LEU A 86 -8.458 3.444 -11.507 1.00 50.45 H new ATOM 0 HD11 LEU A 86 -6.845 3.497 -9.635 1.00 31.01 H new ATOM 0 HD12 LEU A 86 -8.375 2.716 -9.171 1.00 31.01 H new ATOM 0 HD13 LEU A 86 -6.938 1.724 -9.514 1.00 31.01 H new ATOM 0 HD21 LEU A 86 -6.027 3.377 -11.960 1.00 25.51 H new ATOM 0 HD22 LEU A 86 -6.082 1.598 -11.950 1.00 25.51 H new ATOM 0 HD23 LEU A 86 -6.958 2.509 -13.204 1.00 25.51 H new ATOM 1422 N PRO A 87 -9.451 -1.297 -13.229 1.00 34.01 N ATOM 1423 CA PRO A 87 -10.133 -2.606 -13.332 1.00 70.31 C ATOM 1424 C PRO A 87 -11.207 -2.829 -12.249 1.00 10.21 C ATOM 1425 O PRO A 87 -11.035 -2.427 -11.097 1.00 40.02 O ATOM 1426 CB PRO A 87 -8.983 -3.610 -13.163 1.00 51.01 C ATOM 1427 CG PRO A 87 -7.783 -2.888 -13.677 1.00 30.20 C ATOM 1428 CD PRO A 87 -7.980 -1.442 -13.298 1.00 32.04 C ATOM 0 HA PRO A 87 -10.679 -2.698 -14.271 1.00 70.31 H new ATOM 0 HB2 PRO A 87 -8.857 -3.898 -12.119 1.00 51.01 H new ATOM 0 HB3 PRO A 87 -9.168 -4.525 -13.726 1.00 51.01 H new ATOM 0 HG2 PRO A 87 -6.869 -3.286 -13.237 1.00 30.20 H new ATOM 0 HG3 PRO A 87 -7.692 -3.000 -14.757 1.00 30.20 H new ATOM 0 HD2 PRO A 87 -7.509 -1.210 -12.343 1.00 32.04 H new ATOM 0 HD3 PRO A 87 -7.545 -0.771 -14.039 1.00 32.04 H new ATOM 1436 N ALA A 88 -12.300 -3.498 -12.628 1.00 73.30 N ATOM 1437 CA ALA A 88 -13.442 -3.733 -11.725 1.00 42.21 C ATOM 1438 C ALA A 88 -13.030 -4.367 -10.380 1.00 52.24 C ATOM 1439 O ALA A 88 -13.685 -4.149 -9.358 1.00 74.44 O ATOM 1440 CB ALA A 88 -14.486 -4.610 -12.415 1.00 10.11 C ATOM 0 H ALA A 88 -12.423 -3.891 -13.561 1.00 73.30 H new ATOM 0 HA ALA A 88 -13.866 -2.755 -11.497 1.00 42.21 H new ATOM 0 HB1 ALA A 88 -15.325 -4.777 -11.739 1.00 10.11 H new ATOM 0 HB2 ALA A 88 -14.841 -4.112 -13.317 1.00 10.11 H new ATOM 0 HB3 ALA A 88 -14.038 -5.567 -12.681 1.00 10.11 H new ATOM 1446 N LYS A 89 -11.943 -5.146 -10.386 1.00 64.11 N ATOM 1447 CA LYS A 89 -11.461 -5.815 -9.164 1.00 42.23 C ATOM 1448 C LYS A 89 -11.040 -4.816 -8.070 1.00 55.54 C ATOM 1449 O LYS A 89 -11.019 -5.160 -6.887 1.00 71.43 O ATOM 1450 CB LYS A 89 -10.306 -6.783 -9.482 1.00 23.02 C ATOM 1451 CG LYS A 89 -10.773 -8.165 -9.944 1.00 63.24 C ATOM 1452 CD LYS A 89 -11.571 -8.107 -11.245 1.00 64.35 C ATOM 1453 CE LYS A 89 -12.216 -9.453 -11.574 1.00 51.12 C ATOM 1454 NZ LYS A 89 -13.298 -9.810 -10.615 1.00 72.53 N ATOM 0 H LYS A 89 -11.380 -5.331 -11.216 1.00 64.11 H new ATOM 0 HA LYS A 89 -12.302 -6.387 -8.772 1.00 42.23 H new ATOM 0 HB2 LYS A 89 -9.678 -6.343 -10.257 1.00 23.02 H new ATOM 0 HB3 LYS A 89 -9.684 -6.897 -8.594 1.00 23.02 H new ATOM 0 HG2 LYS A 89 -9.906 -8.811 -10.082 1.00 63.24 H new ATOM 0 HG3 LYS A 89 -11.387 -8.617 -9.165 1.00 63.24 H new ATOM 0 HD2 LYS A 89 -12.344 -7.343 -11.164 1.00 64.35 H new ATOM 0 HD3 LYS A 89 -10.914 -7.809 -12.062 1.00 64.35 H new ATOM 0 HE2 LYS A 89 -12.625 -9.420 -12.584 1.00 51.12 H new ATOM 0 HE3 LYS A 89 -11.453 -10.231 -11.564 1.00 51.12 H new ATOM 0 HZ1 LYS A 89 -13.762 -10.687 -10.926 1.00 72.53 H new ATOM 0 HZ2 LYS A 89 -12.891 -9.951 -9.669 1.00 72.53 H new ATOM 0 HZ3 LYS A 89 -13.998 -9.042 -10.580 1.00 72.53 H new ATOM 1468 N VAL A 90 -10.715 -3.584 -8.463 1.00 64.23 N ATOM 1469 CA VAL A 90 -10.404 -2.528 -7.490 1.00 72.31 C ATOM 1470 C VAL A 90 -11.630 -2.223 -6.615 1.00 45.52 C ATOM 1471 O VAL A 90 -11.555 -2.253 -5.387 1.00 75.31 O ATOM 1472 CB VAL A 90 -9.930 -1.227 -8.189 1.00 21.21 C ATOM 1473 CG1 VAL A 90 -9.612 -0.138 -7.163 1.00 52.44 C ATOM 1474 CG2 VAL A 90 -8.717 -1.507 -9.078 1.00 40.01 C ATOM 0 H VAL A 90 -10.660 -3.291 -9.438 1.00 64.23 H new ATOM 0 HA VAL A 90 -9.592 -2.896 -6.863 1.00 72.31 H new ATOM 0 HB VAL A 90 -10.742 -0.865 -8.820 1.00 21.21 H new ATOM 0 HG11 VAL A 90 -9.282 0.763 -7.680 1.00 52.44 H new ATOM 0 HG12 VAL A 90 -10.506 0.085 -6.580 1.00 52.44 H new ATOM 0 HG13 VAL A 90 -8.821 -0.485 -6.498 1.00 52.44 H new ATOM 0 HG21 VAL A 90 -8.398 -0.583 -9.560 1.00 40.01 H new ATOM 0 HG22 VAL A 90 -7.902 -1.898 -8.469 1.00 40.01 H new ATOM 0 HG23 VAL A 90 -8.985 -2.240 -9.839 1.00 40.01 H new ATOM 1484 N LYS A 91 -12.765 -1.953 -7.263 1.00 3.30 N ATOM 1485 CA LYS A 91 -14.031 -1.722 -6.553 1.00 53.35 C ATOM 1486 C LYS A 91 -14.556 -3.022 -5.914 1.00 15.12 C ATOM 1487 O LYS A 91 -15.327 -2.990 -4.955 1.00 34.04 O ATOM 1488 CB LYS A 91 -15.092 -1.159 -7.515 1.00 40.22 C ATOM 1489 CG LYS A 91 -14.699 0.155 -8.187 1.00 63.45 C ATOM 1490 CD LYS A 91 -15.814 0.673 -9.097 1.00 54.30 C ATOM 1491 CE LYS A 91 -15.427 1.960 -9.820 1.00 4.32 C ATOM 1492 NZ LYS A 91 -15.188 3.091 -8.882 1.00 52.41 N ATOM 0 H LYS A 91 -12.836 -1.888 -8.278 1.00 3.30 H new ATOM 0 HA LYS A 91 -13.838 -0.997 -5.762 1.00 53.35 H new ATOM 0 HB2 LYS A 91 -15.296 -1.901 -8.287 1.00 40.22 H new ATOM 0 HB3 LYS A 91 -16.021 -1.008 -6.965 1.00 40.22 H new ATOM 0 HG2 LYS A 91 -14.473 0.901 -7.425 1.00 63.45 H new ATOM 0 HG3 LYS A 91 -13.790 0.009 -8.770 1.00 63.45 H new ATOM 0 HD2 LYS A 91 -16.064 -0.092 -9.832 1.00 54.30 H new ATOM 0 HD3 LYS A 91 -16.711 0.849 -8.503 1.00 54.30 H new ATOM 0 HE2 LYS A 91 -14.527 1.785 -10.410 1.00 4.32 H new ATOM 0 HE3 LYS A 91 -16.218 2.232 -10.519 1.00 4.32 H new ATOM 0 HZ1 LYS A 91 -15.685 3.938 -9.225 1.00 52.41 H new ATOM 0 HZ2 LYS A 91 -15.544 2.840 -7.938 1.00 52.41 H new ATOM 0 HZ3 LYS A 91 -14.168 3.287 -8.827 1.00 52.41 H new ATOM 1506 N GLU A 92 -14.130 -4.161 -6.465 1.00 52.24 N ATOM 1507 CA GLU A 92 -14.563 -5.481 -5.986 1.00 44.24 C ATOM 1508 C GLU A 92 -13.922 -5.836 -4.629 1.00 51.41 C ATOM 1509 O GLU A 92 -14.536 -6.513 -3.800 1.00 73.52 O ATOM 1510 CB GLU A 92 -14.210 -6.546 -7.040 1.00 65.03 C ATOM 1511 CG GLU A 92 -14.672 -7.962 -6.705 1.00 73.13 C ATOM 1512 CD GLU A 92 -14.305 -8.967 -7.791 1.00 71.10 C ATOM 1513 OE1 GLU A 92 -13.136 -9.404 -7.837 1.00 72.13 O ATOM 1514 OE2 GLU A 92 -15.178 -9.315 -8.615 1.00 31.25 O ATOM 0 H GLU A 92 -13.480 -4.198 -7.250 1.00 52.24 H new ATOM 0 HA GLU A 92 -15.642 -5.454 -5.836 1.00 44.24 H new ATOM 0 HB2 GLU A 92 -14.650 -6.252 -7.993 1.00 65.03 H new ATOM 0 HB3 GLU A 92 -13.129 -6.556 -7.177 1.00 65.03 H new ATOM 0 HG2 GLU A 92 -14.225 -8.273 -5.761 1.00 73.13 H new ATOM 0 HG3 GLU A 92 -15.753 -7.964 -6.562 1.00 73.13 H new ATOM 1521 N LYS A 93 -12.683 -5.388 -4.412 1.00 32.10 N ATOM 1522 CA LYS A 93 -11.961 -5.670 -3.160 1.00 55.24 C ATOM 1523 C LYS A 93 -11.784 -4.415 -2.287 1.00 15.10 C ATOM 1524 O LYS A 93 -12.192 -4.395 -1.123 1.00 31.32 O ATOM 1525 CB LYS A 93 -10.576 -6.266 -3.454 1.00 65.33 C ATOM 1526 CG LYS A 93 -10.612 -7.603 -4.183 1.00 11.23 C ATOM 1527 CD LYS A 93 -9.215 -8.207 -4.297 1.00 23.33 C ATOM 1528 CE LYS A 93 -9.233 -9.546 -5.021 1.00 14.41 C ATOM 1529 NZ LYS A 93 -7.886 -10.174 -5.066 1.00 31.02 N ATOM 0 H LYS A 93 -12.156 -4.829 -5.083 1.00 32.10 H new ATOM 0 HA LYS A 93 -12.571 -6.387 -2.610 1.00 55.24 H new ATOM 0 HB2 LYS A 93 -10.006 -5.554 -4.052 1.00 65.33 H new ATOM 0 HB3 LYS A 93 -10.040 -6.393 -2.513 1.00 65.33 H new ATOM 0 HG2 LYS A 93 -11.267 -8.293 -3.651 1.00 11.23 H new ATOM 0 HG3 LYS A 93 -11.034 -7.466 -5.179 1.00 11.23 H new ATOM 0 HD2 LYS A 93 -8.563 -7.515 -4.830 1.00 23.33 H new ATOM 0 HD3 LYS A 93 -8.794 -8.339 -3.300 1.00 23.33 H new ATOM 0 HE2 LYS A 93 -9.930 -10.219 -4.521 1.00 14.41 H new ATOM 0 HE3 LYS A 93 -9.601 -9.404 -6.037 1.00 14.41 H new ATOM 0 HZ1 LYS A 93 -7.937 -11.067 -5.597 1.00 31.02 H new ATOM 0 HZ2 LYS A 93 -7.218 -9.530 -5.535 1.00 31.02 H new ATOM 0 HZ3 LYS A 93 -7.560 -10.365 -4.097 1.00 31.02 H new ATOM 1543 N LEU A 94 -11.169 -3.378 -2.857 1.00 5.42 N ATOM 1544 CA LEU A 94 -10.747 -2.201 -2.089 1.00 54.33 C ATOM 1545 C LEU A 94 -11.944 -1.322 -1.679 1.00 61.00 C ATOM 1546 O LEU A 94 -12.563 -0.656 -2.513 1.00 14.12 O ATOM 1547 CB LEU A 94 -9.719 -1.383 -2.907 1.00 30.04 C ATOM 1548 CG LEU A 94 -8.813 -0.414 -2.108 1.00 65.12 C ATOM 1549 CD1 LEU A 94 -7.653 0.072 -2.979 1.00 3.23 C ATOM 1550 CD2 LEU A 94 -9.601 0.783 -1.571 1.00 50.22 C ATOM 0 H LEU A 94 -10.950 -3.327 -3.852 1.00 5.42 H new ATOM 0 HA LEU A 94 -10.278 -2.549 -1.169 1.00 54.33 H new ATOM 0 HB2 LEU A 94 -9.079 -2.081 -3.446 1.00 30.04 H new ATOM 0 HB3 LEU A 94 -10.261 -0.804 -3.655 1.00 30.04 H new ATOM 0 HG LEU A 94 -8.416 -0.965 -1.255 1.00 65.12 H new ATOM 0 HD11 LEU A 94 -7.026 0.752 -2.403 1.00 3.23 H new ATOM 0 HD12 LEU A 94 -7.059 -0.782 -3.304 1.00 3.23 H new ATOM 0 HD13 LEU A 94 -8.047 0.593 -3.852 1.00 3.23 H new ATOM 0 HD21 LEU A 94 -8.931 1.440 -1.016 1.00 50.22 H new ATOM 0 HD22 LEU A 94 -10.041 1.332 -2.404 1.00 50.22 H new ATOM 0 HD23 LEU A 94 -10.393 0.430 -0.910 1.00 50.22 H new ATOM 1562 N GLY A 95 -12.252 -1.330 -0.383 1.00 5.42 N ATOM 1563 CA GLY A 95 -13.281 -0.447 0.161 1.00 50.45 C ATOM 1564 C GLY A 95 -14.710 -0.838 -0.209 1.00 60.32 C ATOM 1565 O GLY A 95 -15.478 0.000 -0.688 1.00 75.14 O ATOM 0 H GLY A 95 -11.806 -1.935 0.306 1.00 5.42 H new ATOM 0 HA2 GLY A 95 -13.192 -0.431 1.247 1.00 50.45 H new ATOM 0 HA3 GLY A 95 -13.093 0.568 -0.189 1.00 50.45 H new ATOM 1569 N VAL A 96 -15.075 -2.101 0.018 1.00 0.12 N ATOM 1570 CA VAL A 96 -16.455 -2.555 -0.198 1.00 75.42 C ATOM 1571 C VAL A 96 -17.413 -1.872 0.797 1.00 43.02 C ATOM 1572 O VAL A 96 -17.094 -1.724 1.979 1.00 62.04 O ATOM 1573 CB VAL A 96 -16.580 -4.093 -0.053 1.00 64.21 C ATOM 1574 CG1 VAL A 96 -18.002 -4.560 -0.358 1.00 11.41 C ATOM 1575 CG2 VAL A 96 -15.566 -4.810 -0.948 1.00 0.43 C ATOM 0 H VAL A 96 -14.440 -2.827 0.350 1.00 0.12 H new ATOM 0 HA VAL A 96 -16.728 -2.279 -1.217 1.00 75.42 H new ATOM 0 HB VAL A 96 -16.358 -4.350 0.983 1.00 64.21 H new ATOM 0 HG11 VAL A 96 -18.061 -5.643 -0.249 1.00 11.41 H new ATOM 0 HG12 VAL A 96 -18.697 -4.087 0.336 1.00 11.41 H new ATOM 0 HG13 VAL A 96 -18.264 -4.284 -1.379 1.00 11.41 H new ATOM 0 HG21 VAL A 96 -15.674 -5.888 -0.828 1.00 0.43 H new ATOM 0 HG22 VAL A 96 -15.745 -4.541 -1.989 1.00 0.43 H new ATOM 0 HG23 VAL A 96 -14.556 -4.512 -0.665 1.00 0.43 H new ATOM 1585 N LYS A 97 -18.586 -1.469 0.322 1.00 72.10 N ATOM 1586 CA LYS A 97 -19.508 -0.661 1.132 1.00 64.25 C ATOM 1587 C LYS A 97 -20.964 -0.794 0.649 1.00 32.21 C ATOM 1588 O LYS A 97 -21.872 -1.083 1.434 1.00 43.42 O ATOM 1589 CB LYS A 97 -19.059 0.809 1.082 1.00 11.33 C ATOM 1590 CG LYS A 97 -19.891 1.757 1.938 1.00 51.02 C ATOM 1591 CD LYS A 97 -19.344 3.184 1.876 1.00 30.31 C ATOM 1592 CE LYS A 97 -20.142 4.145 2.745 1.00 20.41 C ATOM 1593 NZ LYS A 97 -19.554 5.512 2.741 1.00 15.31 N ATOM 0 H LYS A 97 -18.926 -1.684 -0.615 1.00 72.10 H new ATOM 0 HA LYS A 97 -19.478 -1.027 2.158 1.00 64.25 H new ATOM 0 HB2 LYS A 97 -18.019 0.869 1.403 1.00 11.33 H new ATOM 0 HB3 LYS A 97 -19.093 1.150 0.047 1.00 11.33 H new ATOM 0 HG2 LYS A 97 -20.926 1.746 1.596 1.00 51.02 H new ATOM 0 HG3 LYS A 97 -19.893 1.410 2.971 1.00 51.02 H new ATOM 0 HD2 LYS A 97 -18.302 3.186 2.197 1.00 30.31 H new ATOM 0 HD3 LYS A 97 -19.360 3.533 0.843 1.00 30.31 H new ATOM 0 HE2 LYS A 97 -21.170 4.191 2.387 1.00 20.41 H new ATOM 0 HE3 LYS A 97 -20.177 3.767 3.767 1.00 20.41 H new ATOM 0 HZ1 LYS A 97 -20.125 6.137 3.344 1.00 15.31 H new ATOM 0 HZ2 LYS A 97 -18.581 5.473 3.107 1.00 15.31 H new ATOM 0 HZ3 LYS A 97 -19.544 5.883 1.769 1.00 15.31 H new ATOM 1607 N LEU A 98 -21.178 -0.579 -0.649 1.00 44.33 N ATOM 1608 CA LEU A 98 -22.520 -0.653 -1.248 1.00 33.13 C ATOM 1609 C LEU A 98 -22.639 -1.874 -2.174 1.00 42.34 C ATOM 1610 O LEU A 98 -22.117 -1.873 -3.288 1.00 60.13 O ATOM 1611 CB LEU A 98 -22.821 0.638 -2.028 1.00 70.44 C ATOM 1612 CG LEU A 98 -22.689 1.938 -1.216 1.00 12.25 C ATOM 1613 CD1 LEU A 98 -22.958 3.155 -2.097 1.00 42.33 C ATOM 1614 CD2 LEU A 98 -23.628 1.925 -0.010 1.00 54.13 C ATOM 0 H LEU A 98 -20.438 -0.351 -1.313 1.00 44.33 H new ATOM 0 HA LEU A 98 -23.250 -0.762 -0.446 1.00 33.13 H new ATOM 0 HB2 LEU A 98 -22.148 0.692 -2.883 1.00 70.44 H new ATOM 0 HB3 LEU A 98 -23.835 0.577 -2.424 1.00 70.44 H new ATOM 0 HG LEU A 98 -21.665 2.004 -0.847 1.00 12.25 H new ATOM 0 HD11 LEU A 98 -22.859 4.063 -1.503 1.00 42.33 H new ATOM 0 HD12 LEU A 98 -22.239 3.177 -2.916 1.00 42.33 H new ATOM 0 HD13 LEU A 98 -23.968 3.095 -2.502 1.00 42.33 H new ATOM 0 HD21 LEU A 98 -23.516 2.855 0.548 1.00 54.13 H new ATOM 0 HD22 LEU A 98 -24.658 1.829 -0.352 1.00 54.13 H new ATOM 0 HD23 LEU A 98 -23.380 1.082 0.635 1.00 54.13 H new ATOM 1626 N GLU A 99 -23.334 -2.904 -1.702 1.00 63.43 N ATOM 1627 CA GLU A 99 -23.443 -4.180 -2.425 1.00 5.32 C ATOM 1628 C GLU A 99 -24.133 -4.039 -3.798 1.00 31.33 C ATOM 1629 O GLU A 99 -23.490 -4.178 -4.840 1.00 4.03 O ATOM 1630 CB GLU A 99 -24.207 -5.198 -1.563 1.00 51.21 C ATOM 1631 CG GLU A 99 -24.436 -6.546 -2.242 1.00 62.12 C ATOM 1632 CD GLU A 99 -25.231 -7.503 -1.370 1.00 22.10 C ATOM 1633 OE1 GLU A 99 -26.480 -7.475 -1.424 1.00 21.52 O ATOM 1634 OE2 GLU A 99 -24.615 -8.273 -0.613 1.00 14.11 O ATOM 0 H GLU A 99 -23.837 -2.885 -0.815 1.00 63.43 H new ATOM 0 HA GLU A 99 -22.427 -4.527 -2.615 1.00 5.32 H new ATOM 0 HB2 GLU A 99 -23.655 -5.359 -0.637 1.00 51.21 H new ATOM 0 HB3 GLU A 99 -25.173 -4.773 -1.289 1.00 51.21 H new ATOM 0 HG2 GLU A 99 -24.964 -6.391 -3.183 1.00 62.12 H new ATOM 0 HG3 GLU A 99 -23.474 -6.995 -2.487 1.00 62.12 H new ATOM 1641 N HIS A 100 -25.443 -3.766 -3.785 1.00 73.02 N ATOM 1642 CA HIS A 100 -26.265 -3.754 -5.008 1.00 74.54 C ATOM 1643 C HIS A 100 -26.282 -5.134 -5.694 1.00 72.21 C ATOM 1644 O HIS A 100 -25.531 -5.384 -6.640 1.00 4.04 O ATOM 1645 CB HIS A 100 -25.794 -2.673 -5.996 1.00 51.44 C ATOM 1646 CG HIS A 100 -26.027 -1.272 -5.520 1.00 40.34 C ATOM 1647 ND1 HIS A 100 -27.265 -0.670 -5.552 1.00 21.43 N ATOM 1648 CD2 HIS A 100 -25.178 -0.351 -5.003 1.00 23.13 C ATOM 1649 CE1 HIS A 100 -27.171 0.556 -5.082 1.00 55.31 C ATOM 1650 NE2 HIS A 100 -25.917 0.778 -4.741 1.00 60.44 N ATOM 0 H HIS A 100 -25.963 -3.548 -2.935 1.00 73.02 H new ATOM 0 HA HIS A 100 -27.283 -3.514 -4.701 1.00 74.54 H new ATOM 0 HB2 HIS A 100 -24.730 -2.809 -6.187 1.00 51.44 H new ATOM 0 HB3 HIS A 100 -26.309 -2.814 -6.946 1.00 51.44 H new ATOM 0 HD2 HIS A 100 -24.120 -0.480 -4.829 1.00 23.13 H new ATOM 0 HE1 HIS A 100 -27.984 1.261 -4.991 1.00 55.31 H new ATOM 0 HE2 HIS A 100 -25.554 1.646 -4.347 1.00 60.44 H new ATOM 1659 N HIS A 101 -27.134 -6.035 -5.203 1.00 44.11 N ATOM 1660 CA HIS A 101 -27.253 -7.372 -5.794 1.00 23.34 C ATOM 1661 C HIS A 101 -28.225 -7.373 -6.990 1.00 50.34 C ATOM 1662 O HIS A 101 -29.440 -7.286 -6.827 1.00 52.42 O ATOM 1663 CB HIS A 101 -27.669 -8.416 -4.737 1.00 53.33 C ATOM 1664 CG HIS A 101 -28.964 -8.138 -4.023 1.00 61.01 C ATOM 1665 ND1 HIS A 101 -29.022 -7.566 -2.773 1.00 55.33 N ATOM 1666 CD2 HIS A 101 -30.251 -8.381 -4.376 1.00 1.24 C ATOM 1667 CE1 HIS A 101 -30.277 -7.470 -2.388 1.00 65.32 C ATOM 1668 NE2 HIS A 101 -31.041 -7.955 -3.340 1.00 14.33 N ATOM 0 H HIS A 101 -27.747 -5.868 -4.405 1.00 44.11 H new ATOM 0 HA HIS A 101 -26.269 -7.653 -6.169 1.00 23.34 H new ATOM 0 HB2 HIS A 101 -27.744 -9.389 -5.223 1.00 53.33 H new ATOM 0 HB3 HIS A 101 -26.874 -8.491 -3.995 1.00 53.33 H new ATOM 0 HD1 HIS A 101 -28.215 -7.263 -2.228 1.00 55.33 H new ATOM 0 HD2 HIS A 101 -30.590 -8.826 -5.300 1.00 1.24 H new ATOM 0 HE1 HIS A 101 -30.620 -7.062 -1.449 1.00 65.32 H new ATOM 1677 N HIS A 102 -27.674 -7.457 -8.197 1.00 11.44 N ATOM 1678 CA HIS A 102 -28.481 -7.470 -9.423 1.00 72.32 C ATOM 1679 C HIS A 102 -27.818 -8.340 -10.502 1.00 2.02 C ATOM 1680 O HIS A 102 -26.598 -8.325 -10.658 1.00 22.40 O ATOM 1681 CB HIS A 102 -28.679 -6.033 -9.936 1.00 10.21 C ATOM 1682 CG HIS A 102 -29.508 -5.932 -11.182 1.00 64.42 C ATOM 1683 ND1 HIS A 102 -28.967 -5.932 -12.451 1.00 51.54 N ATOM 1684 CD2 HIS A 102 -30.849 -5.827 -11.352 1.00 73.52 C ATOM 1685 CE1 HIS A 102 -29.932 -5.828 -13.340 1.00 44.05 C ATOM 1686 NE2 HIS A 102 -31.080 -5.763 -12.700 1.00 63.42 N ATOM 0 H HIS A 102 -26.669 -7.518 -8.358 1.00 11.44 H new ATOM 0 HA HIS A 102 -29.456 -7.901 -9.194 1.00 72.32 H new ATOM 0 HB2 HIS A 102 -29.150 -5.441 -9.151 1.00 10.21 H new ATOM 0 HB3 HIS A 102 -27.702 -5.590 -10.127 1.00 10.21 H new ATOM 0 HD2 HIS A 102 -31.595 -5.799 -10.571 1.00 73.52 H new ATOM 0 HE1 HIS A 102 -29.804 -5.801 -14.412 1.00 44.05 H new ATOM 0 HE2 HIS A 102 -31.997 -5.678 -13.139 1.00 63.42 H new ATOM 1695 N HIS A 103 -28.621 -9.114 -11.233 1.00 41.14 N ATOM 1696 CA HIS A 103 -28.100 -9.974 -12.306 1.00 30.31 C ATOM 1697 C HIS A 103 -28.945 -9.864 -13.585 1.00 12.12 C ATOM 1698 O HIS A 103 -30.161 -9.677 -13.527 1.00 74.14 O ATOM 1699 CB HIS A 103 -28.054 -11.442 -11.856 1.00 60.21 C ATOM 1700 CG HIS A 103 -27.115 -11.707 -10.718 1.00 64.05 C ATOM 1701 ND1 HIS A 103 -27.513 -12.282 -9.529 1.00 12.53 N ATOM 1702 CD2 HIS A 103 -25.782 -11.497 -10.601 1.00 14.12 C ATOM 1703 CE1 HIS A 103 -26.472 -12.408 -8.731 1.00 13.40 C ATOM 1704 NE2 HIS A 103 -25.411 -11.942 -9.358 1.00 71.24 N ATOM 0 H HIS A 103 -29.632 -9.166 -11.105 1.00 41.14 H new ATOM 0 HA HIS A 103 -27.090 -9.628 -12.526 1.00 30.31 H new ATOM 0 HB2 HIS A 103 -29.057 -11.752 -11.564 1.00 60.21 H new ATOM 0 HB3 HIS A 103 -27.763 -12.061 -12.704 1.00 60.21 H new ATOM 0 HD2 HIS A 103 -25.133 -11.061 -11.346 1.00 14.12 H new ATOM 0 HE1 HIS A 103 -26.486 -12.822 -7.734 1.00 13.40 H new ATOM 0 HE2 HIS A 103 -24.464 -11.916 -8.979 1.00 71.24 H new ATOM 1713 N HIS A 104 -28.279 -9.982 -14.729 1.00 14.43 N ATOM 1714 CA HIS A 104 -28.935 -9.992 -16.044 1.00 52.04 C ATOM 1715 C HIS A 104 -29.692 -8.681 -16.331 1.00 22.33 C ATOM 1716 O HIS A 104 -29.125 -7.745 -16.898 1.00 2.32 O ATOM 1717 CB HIS A 104 -29.874 -11.204 -16.181 1.00 13.31 C ATOM 1718 CG HIS A 104 -30.223 -11.538 -17.601 1.00 43.53 C ATOM 1719 ND1 HIS A 104 -29.761 -12.670 -18.238 1.00 23.52 N ATOM 1720 CD2 HIS A 104 -30.982 -10.884 -18.515 1.00 15.15 C ATOM 1721 CE1 HIS A 104 -30.216 -12.697 -19.473 1.00 14.42 C ATOM 1722 NE2 HIS A 104 -30.956 -11.629 -19.666 1.00 41.32 N ATOM 0 H HIS A 104 -27.264 -10.074 -14.777 1.00 14.43 H new ATOM 0 HA HIS A 104 -28.146 -10.077 -16.791 1.00 52.04 H new ATOM 0 HB2 HIS A 104 -29.403 -12.071 -15.718 1.00 13.31 H new ATOM 0 HB3 HIS A 104 -30.792 -11.006 -15.627 1.00 13.31 H new ATOM 0 HD2 HIS A 104 -31.508 -9.953 -18.365 1.00 15.15 H new ATOM 0 HE1 HIS A 104 -30.015 -13.467 -20.204 1.00 14.42 H new ATOM 0 HE2 HIS A 104 -31.435 -11.391 -20.534 1.00 41.32 H new ATOM 1731 N HIS A 105 -30.962 -8.612 -15.927 1.00 75.30 N ATOM 1732 CA HIS A 105 -31.804 -7.436 -16.195 1.00 50.40 C ATOM 1733 C HIS A 105 -33.088 -7.462 -15.338 1.00 10.10 C ATOM 1734 O HIS A 105 -33.090 -6.867 -14.241 1.00 38.20 O ATOM 1735 CB HIS A 105 -32.163 -7.369 -17.693 1.00 61.23 C ATOM 1736 CG HIS A 105 -32.968 -6.160 -18.078 1.00 24.24 C ATOM 1737 ND1 HIS A 105 -34.317 -6.043 -17.825 1.00 22.41 N ATOM 1738 CD2 HIS A 105 -32.610 -5.012 -18.704 1.00 14.24 C ATOM 1739 CE1 HIS A 105 -34.754 -4.885 -18.277 1.00 3.11 C ATOM 1740 NE2 HIS A 105 -33.740 -4.239 -18.812 1.00 74.32 N ATOM 1741 OXT HIS A 105 -34.091 -8.080 -15.767 1.00 38.20 O ATOM 0 H HIS A 105 -31.434 -9.356 -15.412 1.00 75.30 H new ATOM 0 HA HIS A 105 -31.237 -6.545 -15.925 1.00 50.40 H new ATOM 0 HB2 HIS A 105 -31.243 -7.380 -18.277 1.00 61.23 H new ATOM 0 HB3 HIS A 105 -32.722 -8.265 -17.962 1.00 61.23 H new ATOM 0 HD1 HIS A 105 -34.890 -6.746 -17.359 1.00 22.41 H new ATOM 0 HD2 HIS A 105 -31.621 -4.754 -19.053 1.00 14.24 H new ATOM 0 HE1 HIS A 105 -35.771 -4.527 -18.218 1.00 3.11 H new TER 1750 HIS A 105