USER MOD reduce.3.24.130724 H: found=0, std=0, add=853, rem=0, adj=43 USER MOD reduce.3.24.130724 removed 849 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 75 LYS NZ :NH3+ -130:sc= 2.15 (180deg=0.207) USER MOD Set 1.2: A 85 SER OG : rot -176:sc= 1.01 USER MOD Set 2.1: A 67 THR OG1 : rot -17:sc= 1.41 USER MOD Set 2.2: A 90 SER OG : rot 180:sc=0.000462 USER MOD Set 3.1: A 54 THR OG1 : rot -93:sc= 2.23 USER MOD Set 3.2: A 76 LYS NZ :NH3+ -172:sc= -0.587! (180deg=-2.28!) USER MOD Set 4.1: A 42 ASN : amide:sc= -0.0375 K(o=-1.1,f=-3.7!) USER MOD Set 4.2: A 44 TYR OH : rot -100:sc= -1.09 USER MOD Set 5.1: A 40 LYS NZ :NH3+ 174:sc= 2.32 (180deg=1.99) USER MOD Set 5.2: A 91 GLN : amide:sc= -1.34! C(o=0.98!,f=-4!) USER MOD Set 6.1: A 29 GLN : amide:sc=-0.00438 X(o=-0.0093,f=-0.49) USER MOD Set 6.2: A 33 ASN : amide:sc=-0.00489 K(o=-0.0093,f=-1.8) USER MOD Set 7.1: A 19 ASN : amide:sc= 1.27 K(o=2,f=-1.9!) USER MOD Set 7.2: A 80 ASN : amide:sc= 0.764 K(o=2,f=-1.9) USER MOD Single : A 1 MET CE :methyl -114:sc= -0.0351 (180deg=-1.76) USER MOD Single : A 1 MET N :NH3+ 140:sc= 0.227 (180deg=0.00551) USER MOD Single : A 3 LYS NZ :NH3+ 138:sc= -0.884! (180deg=-3.36!) USER MOD Single : A 5 THR OG1 : rot -82:sc= 1.4 USER MOD Single : A 6 GLN : amide:sc= -0.279 K(o=-0.28,f=-4!) USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ -175:sc= 0.969 (180deg=0.818) USER MOD Single : A 11 TYR OH : rot 165:sc= -0.424 USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 25:sc= 0.984 USER MOD Single : A 15 THR OG1 : rot 153:sc= 0.784 USER MOD Single : A 17 ASN : amide:sc= -2.26! C(o=-2.3!,f=-5.3!) USER MOD Single : A 18 TYR OH : rot 130:sc= 0.0659 USER MOD Single : A 21 ASN : amide:sc= 0 X(o=0,f=-0.39) USER MOD Single : A 22 THR OG1 : rot 180:sc= -0.463 USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= -0.24 X(o=-0.24,f=-0.13) USER MOD Single : A 27 THR OG1 : rot 86:sc= 1.17 USER MOD Single : A 32 GLN : amide:sc= -0.411 X(o=-0.41,f=-0.41) USER MOD Single : A 35 GLN :FLIP amide:sc= -0.345 F(o=-4!,f=-0.35) USER MOD Single : A 36 THR OG1 : rot 170:sc= 0.862 USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot -54:sc= 0.523 USER MOD Single : A 47 SER OG : rot -150:sc= 0.114 USER MOD Single : A 49 ASN : amide:sc=-0.00503 X(o=-0.005,f=-0.005) USER MOD Single : A 50 LYS NZ :NH3+ -154:sc= 0.367 (180deg=-0.694!) USER MOD Single : A 51 ASN : amide:sc= 0 X(o=0,f=-0.0082) USER MOD Single : A 52 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 60 SER OG : rot -153:sc= -0.738 USER MOD Single : A 62 SER OG : rot 158:sc= -0.234 USER MOD Single : A 64 SER OG : rot -8:sc= 0.241 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 71 GLN : amide:sc= 1.13 K(o=1.1,f=-2.6!) USER MOD Single : A 74 MET CE :methyl -151:sc= -0.911 (180deg=-2.48!) USER MOD Single : A 79 ASN : amide:sc= 0 X(o=0,f=-0.25) USER MOD Single : A 82 THR OG1 : rot 76:sc= 0.331 USER MOD Single : A 87 LYS NZ :NH3+ -176:sc= 1.2 (180deg=1.09) USER MOD Single : A 88 TYR OH : rot -130:sc= 1.3 USER MOD Single : A 93 ASN : amide:sc= -5.14! C(o=-5.1!,f=-4.9!) USER MOD Single : A 94 SER OG : rot 180:sc= 0.0491 USER MOD Single : A 97 SER OG : rot 180:sc= -0.259 USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 107 ASN : amide:sc= -0.0574 X(o=-0.057,f=-0.47) USER MOD Single : A 110 TYR OH : rot 180:sc= 0 USER MOD Single : A 112 ASN : amide:sc= -0.999 X(o=-1,f=-0.97) USER MOD Single : A 113 THR OG1 : rot 13:sc= 0.867 USER MOD Single : A 114 HIS : no HE2:sc= 0.751 K(o=0.75,f=-3.7!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -12.742 -6.594 9.961 1.00 2.13 N ATOM 2 CA MET A 1 -12.187 -5.958 8.769 1.00 31.35 C ATOM 3 C MET A 1 -11.239 -6.946 8.183 1.00 45.34 C ATOM 4 O MET A 1 -10.692 -7.735 8.947 1.00 61.04 O ATOM 5 CB MET A 1 -11.456 -4.654 9.153 1.00 4.42 C ATOM 6 CG MET A 1 -10.893 -3.869 7.968 1.00 31.32 C ATOM 7 SD MET A 1 -10.205 -2.277 8.438 1.00 52.54 S ATOM 8 CE MET A 1 -8.780 -2.774 9.422 1.00 21.20 C ATOM 0 H1 MET A 1 -12.823 -5.892 10.724 1.00 2.13 H new ATOM 0 H2 MET A 1 -13.684 -6.978 9.743 1.00 2.13 H new ATOM 0 H3 MET A 1 -12.115 -7.366 10.266 1.00 2.13 H new ATOM 0 HA MET A 1 -12.964 -5.688 8.054 1.00 31.35 H new ATOM 0 HB2 MET A 1 -12.147 -4.013 9.701 1.00 4.42 H new ATOM 0 HB3 MET A 1 -10.639 -4.897 9.832 1.00 4.42 H new ATOM 0 HG2 MET A 1 -10.119 -4.463 7.482 1.00 31.32 H new ATOM 0 HG3 MET A 1 -11.684 -3.714 7.234 1.00 31.32 H new ATOM 0 HE1 MET A 1 -8.930 -2.471 10.458 1.00 21.20 H new ATOM 0 HE2 MET A 1 -8.664 -3.857 9.374 1.00 21.20 H new ATOM 0 HE3 MET A 1 -7.882 -2.296 9.030 1.00 21.20 H new ATOM 17 N ASP A 2 -11.097 -6.940 6.854 1.00 1.02 N ATOM 18 CA ASP A 2 -10.202 -7.860 6.113 1.00 43.01 C ATOM 19 C ASP A 2 -10.690 -9.276 6.053 1.00 60.11 C ATOM 20 O ASP A 2 -11.302 -9.786 6.993 1.00 64.52 O ATOM 21 CB ASP A 2 -8.728 -7.883 6.651 1.00 14.02 C ATOM 22 CG ASP A 2 -7.899 -9.053 6.055 1.00 20.41 C ATOM 23 OD1 ASP A 2 -7.279 -8.882 4.983 1.00 54.15 O ATOM 24 OD2 ASP A 2 -7.923 -10.202 6.625 1.00 63.11 O ATOM 0 H ASP A 2 -11.602 -6.293 6.248 1.00 1.02 H new ATOM 0 HA ASP A 2 -10.214 -7.436 5.109 1.00 43.01 H new ATOM 0 HB2 ASP A 2 -8.242 -6.937 6.411 1.00 14.02 H new ATOM 0 HB3 ASP A 2 -8.742 -7.968 7.738 1.00 14.02 H new ATOM 29 N LYS A 3 -10.474 -9.876 4.906 1.00 40.23 N ATOM 30 CA LYS A 3 -10.435 -11.280 4.794 1.00 20.31 C ATOM 31 C LYS A 3 -9.663 -11.687 3.561 1.00 73.12 C ATOM 32 O LYS A 3 -10.226 -11.995 2.512 1.00 72.43 O ATOM 33 CB LYS A 3 -11.750 -12.044 4.964 1.00 55.03 C ATOM 34 CG LYS A 3 -11.499 -13.481 5.483 1.00 61.53 C ATOM 35 CD LYS A 3 -11.315 -13.582 7.049 1.00 41.43 C ATOM 36 CE LYS A 3 -10.310 -12.573 7.688 1.00 1.22 C ATOM 37 NZ LYS A 3 -8.898 -12.692 7.203 1.00 21.42 N ATOM 0 H LYS A 3 -10.321 -9.381 4.027 1.00 40.23 H new ATOM 0 HA LYS A 3 -9.899 -11.605 5.686 1.00 20.31 H new ATOM 0 HB2 LYS A 3 -12.396 -11.510 5.661 1.00 55.03 H new ATOM 0 HB3 LYS A 3 -12.276 -12.086 4.010 1.00 55.03 H new ATOM 0 HG2 LYS A 3 -12.335 -14.114 5.185 1.00 61.53 H new ATOM 0 HG3 LYS A 3 -10.608 -13.880 4.997 1.00 61.53 H new ATOM 0 HD2 LYS A 3 -12.288 -13.441 7.519 1.00 41.43 H new ATOM 0 HD3 LYS A 3 -10.987 -14.593 7.292 1.00 41.43 H new ATOM 0 HE2 LYS A 3 -10.661 -11.560 7.492 1.00 1.22 H new ATOM 0 HE3 LYS A 3 -10.319 -12.710 8.769 1.00 1.22 H new ATOM 0 HZ1 LYS A 3 -8.502 -11.742 7.052 1.00 21.42 H new ATOM 0 HZ2 LYS A 3 -8.329 -13.196 7.913 1.00 21.42 H new ATOM 0 HZ3 LYS A 3 -8.882 -13.221 6.307 1.00 21.42 H new ATOM 51 N GLY A 4 -8.364 -11.551 3.674 1.00 65.52 N ATOM 52 CA GLY A 4 -7.462 -11.969 2.633 1.00 22.42 C ATOM 53 C GLY A 4 -6.061 -11.610 3.005 1.00 54.43 C ATOM 54 O GLY A 4 -5.352 -10.995 2.230 1.00 20.13 O ATOM 0 H GLY A 4 -7.904 -11.148 4.490 1.00 65.52 H new ATOM 0 HA2 GLY A 4 -7.543 -13.045 2.479 1.00 22.42 H new ATOM 0 HA3 GLY A 4 -7.732 -11.491 1.691 1.00 22.42 H new ATOM 58 N THR A 5 -5.703 -11.968 4.207 1.00 43.25 N ATOM 59 CA THR A 5 -4.427 -11.672 4.786 1.00 53.30 C ATOM 60 C THR A 5 -3.431 -12.804 4.557 1.00 70.21 C ATOM 61 O THR A 5 -3.662 -13.940 4.984 1.00 32.25 O ATOM 62 CB THR A 5 -4.635 -11.480 6.285 1.00 71.42 C ATOM 63 OG1 THR A 5 -5.995 -11.907 6.620 1.00 42.40 O ATOM 64 CG2 THR A 5 -4.432 -10.027 6.681 1.00 1.14 C ATOM 0 H THR A 5 -6.316 -12.493 4.831 1.00 43.25 H new ATOM 0 HA THR A 5 -4.019 -10.775 4.319 1.00 53.30 H new ATOM 0 HB THR A 5 -3.905 -12.077 6.832 1.00 71.42 H new ATOM 0 HG1 THR A 5 -6.624 -11.182 6.422 1.00 42.40 H new ATOM 0 HG21 THR A 5 -4.586 -9.918 7.754 1.00 1.14 H new ATOM 0 HG22 THR A 5 -3.418 -9.719 6.427 1.00 1.14 H new ATOM 0 HG23 THR A 5 -5.146 -9.401 6.146 1.00 1.14 H new ATOM 72 N GLN A 6 -2.348 -12.505 3.873 1.00 45.44 N ATOM 73 CA GLN A 6 -1.290 -13.472 3.644 1.00 3.40 C ATOM 74 C GLN A 6 0.059 -12.793 3.766 1.00 33.05 C ATOM 75 O GLN A 6 0.231 -11.653 3.333 1.00 12.53 O ATOM 76 CB GLN A 6 -1.391 -14.133 2.258 1.00 61.11 C ATOM 77 CG GLN A 6 -2.670 -14.919 2.004 1.00 12.13 C ATOM 78 CD GLN A 6 -2.657 -15.644 0.674 1.00 54.33 C ATOM 79 OE1 GLN A 6 -2.030 -15.213 -0.284 1.00 0.13 O ATOM 80 NE2 GLN A 6 -3.352 -16.750 0.602 1.00 31.32 N ATOM 0 H GLN A 6 -2.174 -11.589 3.460 1.00 45.44 H new ATOM 0 HA GLN A 6 -1.399 -14.252 4.398 1.00 3.40 H new ATOM 0 HB2 GLN A 6 -1.303 -13.358 1.497 1.00 61.11 H new ATOM 0 HB3 GLN A 6 -0.541 -14.803 2.130 1.00 61.11 H new ATOM 0 HG2 GLN A 6 -2.812 -15.643 2.806 1.00 12.13 H new ATOM 0 HG3 GLN A 6 -3.521 -14.239 2.034 1.00 12.13 H new ATOM 0 HE21 GLN A 6 -3.865 -17.084 1.418 1.00 31.32 H new ATOM 0 HE22 GLN A 6 -3.381 -17.278 -0.270 1.00 31.32 H new ATOM 89 N TYR A 7 0.981 -13.467 4.398 1.00 31.13 N ATOM 90 CA TYR A 7 2.346 -13.017 4.508 1.00 1.15 C ATOM 91 C TYR A 7 3.265 -14.076 3.905 1.00 3.34 C ATOM 92 O TYR A 7 3.316 -15.201 4.388 1.00 54.54 O ATOM 93 CB TYR A 7 2.716 -12.657 5.978 1.00 1.34 C ATOM 94 CG TYR A 7 2.464 -13.748 7.018 1.00 20.15 C ATOM 95 CD1 TYR A 7 1.194 -13.944 7.556 1.00 43.32 C ATOM 96 CD2 TYR A 7 3.494 -14.568 7.468 1.00 4.11 C ATOM 97 CE1 TYR A 7 0.961 -14.922 8.502 1.00 4.52 C ATOM 98 CE2 TYR A 7 3.268 -15.549 8.416 1.00 54.54 C ATOM 99 CZ TYR A 7 1.999 -15.722 8.928 1.00 34.10 C ATOM 100 OH TYR A 7 1.769 -16.696 9.872 1.00 14.02 O ATOM 0 H TYR A 7 0.804 -14.359 4.859 1.00 31.13 H new ATOM 0 HA TYR A 7 2.474 -12.093 3.945 1.00 1.15 H new ATOM 0 HB2 TYR A 7 3.772 -12.388 6.011 1.00 1.34 H new ATOM 0 HB3 TYR A 7 2.152 -11.770 6.267 1.00 1.34 H new ATOM 0 HD1 TYR A 7 0.377 -13.319 7.227 1.00 43.32 H new ATOM 0 HD2 TYR A 7 4.489 -14.436 7.069 1.00 4.11 H new ATOM 0 HE1 TYR A 7 -0.031 -15.060 8.907 1.00 4.52 H new ATOM 0 HE2 TYR A 7 4.080 -16.176 8.753 1.00 54.54 H new ATOM 0 HH TYR A 7 2.605 -17.172 10.062 1.00 14.02 H new ATOM 110 N LYS A 8 3.938 -13.745 2.837 1.00 15.34 N ATOM 111 CA LYS A 8 4.778 -14.709 2.154 1.00 63.43 C ATOM 112 C LYS A 8 5.930 -13.996 1.473 1.00 1.25 C ATOM 113 O LYS A 8 5.702 -13.050 0.790 1.00 32.33 O ATOM 114 CB LYS A 8 3.928 -15.439 1.102 1.00 21.22 C ATOM 115 CG LYS A 8 4.660 -16.506 0.295 1.00 72.52 C ATOM 116 CD LYS A 8 3.756 -17.116 -0.781 1.00 63.21 C ATOM 117 CE LYS A 8 3.296 -16.077 -1.816 1.00 63.33 C ATOM 118 NZ LYS A 8 4.426 -15.506 -2.590 1.00 33.23 N ATOM 0 H LYS A 8 3.926 -12.816 2.415 1.00 15.34 H new ATOM 0 HA LYS A 8 5.182 -15.424 2.871 1.00 63.43 H new ATOM 0 HB2 LYS A 8 3.080 -15.905 1.604 1.00 21.22 H new ATOM 0 HB3 LYS A 8 3.522 -14.700 0.411 1.00 21.22 H new ATOM 0 HG2 LYS A 8 5.541 -16.068 -0.174 1.00 72.52 H new ATOM 0 HG3 LYS A 8 5.012 -17.291 0.964 1.00 72.52 H new ATOM 0 HD2 LYS A 8 4.291 -17.919 -1.289 1.00 63.21 H new ATOM 0 HD3 LYS A 8 2.883 -17.564 -0.307 1.00 63.21 H new ATOM 0 HE2 LYS A 8 2.588 -16.542 -2.502 1.00 63.33 H new ATOM 0 HE3 LYS A 8 2.765 -15.272 -1.307 1.00 63.33 H new ATOM 0 HZ1 LYS A 8 4.074 -14.752 -3.213 1.00 33.23 H new ATOM 0 HZ2 LYS A 8 5.132 -15.113 -1.935 1.00 33.23 H new ATOM 0 HZ3 LYS A 8 4.866 -16.253 -3.165 1.00 33.23 H new ATOM 132 N ASP A 9 7.166 -14.435 1.744 1.00 32.44 N ATOM 133 CA ASP A 9 8.438 -13.918 1.102 1.00 15.14 C ATOM 134 C ASP A 9 8.554 -12.381 1.096 1.00 34.14 C ATOM 135 O ASP A 9 9.170 -11.788 0.211 1.00 21.22 O ATOM 136 CB ASP A 9 8.668 -14.499 -0.344 1.00 1.02 C ATOM 137 CG ASP A 9 7.642 -14.083 -1.411 1.00 1.31 C ATOM 138 OD1 ASP A 9 6.619 -14.778 -1.557 1.00 43.33 O ATOM 139 OD2 ASP A 9 7.865 -13.082 -2.135 1.00 40.31 O ATOM 0 H ASP A 9 7.341 -15.174 2.425 1.00 32.44 H new ATOM 0 HA ASP A 9 9.236 -14.289 1.745 1.00 15.14 H new ATOM 0 HB2 ASP A 9 9.658 -14.194 -0.683 1.00 1.02 H new ATOM 0 HB3 ASP A 9 8.674 -15.587 -0.280 1.00 1.02 H new ATOM 144 N GLY A 10 8.083 -11.756 2.154 1.00 74.34 N ATOM 145 CA GLY A 10 8.159 -10.307 2.245 1.00 32.31 C ATOM 146 C GLY A 10 7.102 -9.621 1.398 1.00 72.14 C ATOM 147 O GLY A 10 7.232 -8.466 1.060 1.00 70.44 O ATOM 0 H GLY A 10 7.649 -12.217 2.954 1.00 74.34 H new ATOM 0 HA2 GLY A 10 8.041 -10.004 3.285 1.00 32.31 H new ATOM 0 HA3 GLY A 10 9.148 -9.976 1.927 1.00 32.31 H new ATOM 151 N TYR A 11 6.103 -10.365 1.039 1.00 4.43 N ATOM 152 CA TYR A 11 4.959 -9.900 0.288 1.00 63.34 C ATOM 153 C TYR A 11 3.751 -10.012 1.219 1.00 3.12 C ATOM 154 O TYR A 11 3.502 -11.085 1.799 1.00 12.41 O ATOM 155 CB TYR A 11 4.788 -10.810 -0.956 1.00 63.55 C ATOM 156 CG TYR A 11 3.797 -10.360 -2.011 1.00 14.12 C ATOM 157 CD1 TYR A 11 4.199 -9.528 -3.032 1.00 0.12 C ATOM 158 CD2 TYR A 11 2.483 -10.792 -2.010 1.00 63.42 C ATOM 159 CE1 TYR A 11 3.336 -9.123 -4.022 1.00 72.12 C ATOM 160 CE2 TYR A 11 1.607 -10.397 -3.007 1.00 63.13 C ATOM 161 CZ TYR A 11 2.045 -9.561 -4.006 1.00 75.42 C ATOM 162 OH TYR A 11 1.178 -9.167 -5.003 1.00 54.01 O ATOM 0 H TYR A 11 6.052 -11.358 1.267 1.00 4.43 H new ATOM 0 HA TYR A 11 5.073 -8.871 -0.054 1.00 63.34 H new ATOM 0 HB2 TYR A 11 5.763 -10.918 -1.432 1.00 63.55 H new ATOM 0 HB3 TYR A 11 4.489 -11.800 -0.612 1.00 63.55 H new ATOM 0 HD1 TYR A 11 5.222 -9.184 -3.055 1.00 0.12 H new ATOM 0 HD2 TYR A 11 2.136 -11.445 -1.223 1.00 63.42 H new ATOM 0 HE1 TYR A 11 3.678 -8.463 -4.806 1.00 72.12 H new ATOM 0 HE2 TYR A 11 0.584 -10.744 -3.000 1.00 63.13 H new ATOM 0 HH TYR A 11 0.383 -9.740 -4.991 1.00 54.01 H new ATOM 172 N TYR A 12 3.057 -8.923 1.417 1.00 1.53 N ATOM 173 CA TYR A 12 1.920 -8.896 2.320 1.00 44.34 C ATOM 174 C TYR A 12 0.653 -8.623 1.550 1.00 5.11 C ATOM 175 O TYR A 12 0.612 -7.727 0.705 1.00 3.52 O ATOM 176 CB TYR A 12 2.107 -7.825 3.406 1.00 41.32 C ATOM 177 CG TYR A 12 1.075 -7.863 4.515 1.00 64.01 C ATOM 178 CD1 TYR A 12 1.084 -8.888 5.453 1.00 73.30 C ATOM 179 CD2 TYR A 12 0.100 -6.880 4.628 1.00 30.23 C ATOM 180 CE1 TYR A 12 0.155 -8.933 6.471 1.00 72.40 C ATOM 181 CE2 TYR A 12 -0.831 -6.917 5.647 1.00 71.21 C ATOM 182 CZ TYR A 12 -0.801 -7.946 6.564 1.00 4.14 C ATOM 183 OH TYR A 12 -1.725 -7.983 7.582 1.00 3.10 O ATOM 0 H TYR A 12 3.256 -8.031 0.964 1.00 1.53 H new ATOM 0 HA TYR A 12 1.847 -9.870 2.803 1.00 44.34 H new ATOM 0 HB2 TYR A 12 3.098 -7.941 3.846 1.00 41.32 H new ATOM 0 HB3 TYR A 12 2.080 -6.842 2.936 1.00 41.32 H new ATOM 0 HD1 TYR A 12 1.832 -9.664 5.384 1.00 73.30 H new ATOM 0 HD2 TYR A 12 0.070 -6.075 3.908 1.00 30.23 H new ATOM 0 HE1 TYR A 12 0.177 -9.738 7.191 1.00 72.40 H new ATOM 0 HE2 TYR A 12 -1.580 -6.143 5.725 1.00 71.21 H new ATOM 0 HH TYR A 12 -2.328 -7.214 7.505 1.00 3.10 H new ATOM 193 N ILE A 13 -0.350 -9.400 1.825 1.00 54.24 N ATOM 194 CA ILE A 13 -1.638 -9.251 1.206 1.00 22.23 C ATOM 195 C ILE A 13 -2.670 -9.051 2.308 1.00 14.42 C ATOM 196 O ILE A 13 -2.595 -9.714 3.340 1.00 72.13 O ATOM 197 CB ILE A 13 -2.012 -10.528 0.393 1.00 40.34 C ATOM 198 CG1 ILE A 13 -0.882 -10.885 -0.579 1.00 21.01 C ATOM 199 CG2 ILE A 13 -3.315 -10.314 -0.374 1.00 3.32 C ATOM 200 CD1 ILE A 13 -1.094 -12.171 -1.349 1.00 32.41 C ATOM 0 H ILE A 13 -0.299 -10.167 2.495 1.00 54.24 H new ATOM 0 HA ILE A 13 -1.615 -8.400 0.525 1.00 22.23 H new ATOM 0 HB ILE A 13 -2.153 -11.353 1.092 1.00 40.34 H new ATOM 0 HG12 ILE A 13 -0.760 -10.068 -1.290 1.00 21.01 H new ATOM 0 HG13 ILE A 13 0.050 -10.962 -0.019 1.00 21.01 H new ATOM 0 HG21 ILE A 13 -3.559 -11.216 -0.935 1.00 3.32 H new ATOM 0 HG22 ILE A 13 -4.119 -10.095 0.329 1.00 3.32 H new ATOM 0 HG23 ILE A 13 -3.198 -9.478 -1.064 1.00 3.32 H new ATOM 0 HD11 ILE A 13 -0.245 -12.343 -2.011 1.00 32.41 H new ATOM 0 HD12 ILE A 13 -1.183 -13.003 -0.650 1.00 32.41 H new ATOM 0 HD13 ILE A 13 -2.006 -12.095 -1.941 1.00 32.41 H new ATOM 212 N THR A 14 -3.567 -8.111 2.117 1.00 61.02 N ATOM 213 CA THR A 14 -4.658 -7.878 3.036 1.00 60.32 C ATOM 214 C THR A 14 -5.813 -7.213 2.279 1.00 72.35 C ATOM 215 O THR A 14 -5.601 -6.574 1.237 1.00 24.32 O ATOM 216 CB THR A 14 -4.225 -7.009 4.258 1.00 0.24 C ATOM 217 OG1 THR A 14 -5.317 -6.856 5.179 1.00 74.12 O ATOM 218 CG2 THR A 14 -3.744 -5.629 3.813 1.00 23.24 C ATOM 0 H THR A 14 -3.560 -7.482 1.314 1.00 61.02 H new ATOM 0 HA THR A 14 -4.981 -8.839 3.438 1.00 60.32 H new ATOM 0 HB THR A 14 -3.402 -7.525 4.752 1.00 0.24 H new ATOM 0 HG1 THR A 14 -5.939 -7.606 5.076 1.00 74.12 H new ATOM 0 HG21 THR A 14 -3.449 -5.047 4.686 1.00 23.24 H new ATOM 0 HG22 THR A 14 -2.889 -5.739 3.145 1.00 23.24 H new ATOM 0 HG23 THR A 14 -4.550 -5.114 3.289 1.00 23.24 H new ATOM 226 N THR A 15 -7.013 -7.404 2.752 1.00 24.11 N ATOM 227 CA THR A 15 -8.181 -6.845 2.134 1.00 15.43 C ATOM 228 C THR A 15 -8.770 -5.720 2.989 1.00 24.34 C ATOM 229 O THR A 15 -9.155 -5.935 4.123 1.00 44.54 O ATOM 230 CB THR A 15 -9.233 -7.937 2.002 1.00 71.15 C ATOM 231 OG1 THR A 15 -8.597 -9.104 1.488 1.00 73.01 O ATOM 232 CG2 THR A 15 -10.351 -7.513 1.063 1.00 71.35 C ATOM 0 H THR A 15 -7.209 -7.958 3.586 1.00 24.11 H new ATOM 0 HA THR A 15 -7.899 -6.444 1.161 1.00 15.43 H new ATOM 0 HB THR A 15 -9.674 -8.132 2.980 1.00 71.15 H new ATOM 0 HG1 THR A 15 -9.086 -9.900 1.784 1.00 73.01 H new ATOM 0 HG21 THR A 15 -11.087 -8.313 0.989 1.00 71.35 H new ATOM 0 HG22 THR A 15 -10.830 -6.614 1.450 1.00 71.35 H new ATOM 0 HG23 THR A 15 -9.938 -7.307 0.075 1.00 71.35 H new ATOM 240 N LEU A 16 -8.883 -4.557 2.435 1.00 52.20 N ATOM 241 CA LEU A 16 -9.495 -3.472 3.133 1.00 5.44 C ATOM 242 C LEU A 16 -10.850 -3.233 2.564 1.00 71.32 C ATOM 243 O LEU A 16 -10.998 -3.014 1.368 1.00 1.43 O ATOM 244 CB LEU A 16 -8.646 -2.208 3.070 1.00 32.53 C ATOM 245 CG LEU A 16 -7.365 -2.226 3.901 1.00 20.03 C ATOM 246 CD1 LEU A 16 -6.613 -0.920 3.740 1.00 41.03 C ATOM 247 CD2 LEU A 16 -7.693 -2.475 5.371 1.00 54.13 C ATOM 0 H LEU A 16 -8.557 -4.332 1.495 1.00 52.20 H new ATOM 0 HA LEU A 16 -9.582 -3.738 4.187 1.00 5.44 H new ATOM 0 HB2 LEU A 16 -8.379 -2.024 2.029 1.00 32.53 H new ATOM 0 HB3 LEU A 16 -9.257 -1.366 3.396 1.00 32.53 H new ATOM 0 HG LEU A 16 -6.729 -3.036 3.545 1.00 20.03 H new ATOM 0 HD11 LEU A 16 -5.702 -0.948 4.338 1.00 41.03 H new ATOM 0 HD12 LEU A 16 -6.354 -0.776 2.691 1.00 41.03 H new ATOM 0 HD13 LEU A 16 -7.241 -0.095 4.075 1.00 41.03 H new ATOM 0 HD21 LEU A 16 -6.771 -2.486 5.953 1.00 54.13 H new ATOM 0 HD22 LEU A 16 -8.345 -1.682 5.738 1.00 54.13 H new ATOM 0 HD23 LEU A 16 -8.198 -3.436 5.474 1.00 54.13 H new ATOM 259 N ASN A 17 -11.839 -3.295 3.406 1.00 65.01 N ATOM 260 CA ASN A 17 -13.217 -3.146 2.981 1.00 32.10 C ATOM 261 C ASN A 17 -13.627 -1.683 2.809 1.00 23.22 C ATOM 262 O ASN A 17 -14.506 -1.164 3.501 1.00 32.44 O ATOM 263 CB ASN A 17 -14.193 -3.944 3.881 1.00 3.03 C ATOM 264 CG ASN A 17 -14.086 -3.641 5.380 1.00 63.13 C ATOM 265 OD1 ASN A 17 -13.339 -4.315 6.111 1.00 13.52 O ATOM 266 ND2 ASN A 17 -14.793 -2.643 5.842 1.00 43.12 N ATOM 0 H ASN A 17 -11.723 -3.450 4.408 1.00 65.01 H new ATOM 0 HA ASN A 17 -13.285 -3.588 1.987 1.00 32.10 H new ATOM 0 HB2 ASN A 17 -15.213 -3.739 3.556 1.00 3.03 H new ATOM 0 HB3 ASN A 17 -14.017 -5.009 3.727 1.00 3.03 H new ATOM 0 HD21 ASN A 17 -14.742 -2.396 6.830 1.00 43.12 H new ATOM 0 HD22 ASN A 17 -15.396 -2.111 5.214 1.00 43.12 H new ATOM 273 N TYR A 18 -12.930 -1.020 1.919 1.00 45.25 N ATOM 274 CA TYR A 18 -13.188 0.349 1.568 1.00 62.44 C ATOM 275 C TYR A 18 -13.084 0.466 0.052 1.00 33.31 C ATOM 276 O TYR A 18 -12.395 -0.345 -0.585 1.00 71.03 O ATOM 277 CB TYR A 18 -12.188 1.303 2.256 1.00 1.34 C ATOM 278 CG TYR A 18 -12.176 1.227 3.783 1.00 13.01 C ATOM 279 CD1 TYR A 18 -13.214 1.762 4.538 1.00 44.24 C ATOM 280 CD2 TYR A 18 -11.126 0.616 4.462 1.00 23.42 C ATOM 281 CE1 TYR A 18 -13.207 1.687 5.919 1.00 20.30 C ATOM 282 CE2 TYR A 18 -11.110 0.538 5.844 1.00 51.31 C ATOM 283 CZ TYR A 18 -12.154 1.073 6.568 1.00 12.13 C ATOM 284 OH TYR A 18 -12.155 0.989 7.954 1.00 35.41 O ATOM 0 H TYR A 18 -12.149 -1.431 1.408 1.00 45.25 H new ATOM 0 HA TYR A 18 -14.183 0.636 1.907 1.00 62.44 H new ATOM 0 HB2 TYR A 18 -11.186 1.084 1.887 1.00 1.34 H new ATOM 0 HB3 TYR A 18 -12.420 2.326 1.959 1.00 1.34 H new ATOM 0 HD1 TYR A 18 -14.040 2.245 4.037 1.00 44.24 H new ATOM 0 HD2 TYR A 18 -10.307 0.194 3.899 1.00 23.42 H new ATOM 0 HE1 TYR A 18 -14.023 2.107 6.488 1.00 20.30 H new ATOM 0 HE2 TYR A 18 -10.285 0.061 6.352 1.00 51.31 H new ATOM 0 HH TYR A 18 -11.973 0.065 8.226 1.00 35.41 H new ATOM 294 N ASN A 19 -13.739 1.467 -0.509 1.00 63.45 N ATOM 295 CA ASN A 19 -13.813 1.656 -1.969 1.00 71.43 C ATOM 296 C ASN A 19 -12.447 2.008 -2.546 1.00 33.44 C ATOM 297 O ASN A 19 -11.735 2.839 -1.977 1.00 12.21 O ATOM 298 CB ASN A 19 -14.825 2.762 -2.322 1.00 11.12 C ATOM 299 CG ASN A 19 -14.962 2.993 -3.828 1.00 31.21 C ATOM 300 OD1 ASN A 19 -14.202 3.760 -4.423 1.00 50.12 O ATOM 301 ND2 ASN A 19 -15.941 2.369 -4.443 1.00 73.04 N ATOM 0 H ASN A 19 -14.239 2.178 0.024 1.00 63.45 H new ATOM 0 HA ASN A 19 -14.145 0.715 -2.408 1.00 71.43 H new ATOM 0 HB2 ASN A 19 -15.800 2.499 -1.911 1.00 11.12 H new ATOM 0 HB3 ASN A 19 -14.518 3.693 -1.844 1.00 11.12 H new ATOM 0 HD21 ASN A 19 -16.090 2.513 -5.442 1.00 73.04 H new ATOM 0 HD22 ASN A 19 -16.552 1.741 -3.922 1.00 73.04 H new ATOM 308 N PHE A 20 -12.096 1.382 -3.675 1.00 1.43 N ATOM 309 CA PHE A 20 -10.786 1.557 -4.308 1.00 31.30 C ATOM 310 C PHE A 20 -10.343 3.014 -4.482 1.00 52.03 C ATOM 311 O PHE A 20 -9.186 3.318 -4.234 1.00 61.43 O ATOM 312 CB PHE A 20 -10.714 0.786 -5.639 1.00 73.02 C ATOM 313 CG PHE A 20 -9.503 1.111 -6.486 1.00 13.43 C ATOM 314 CD1 PHE A 20 -8.270 0.548 -6.206 1.00 31.14 C ATOM 315 CD2 PHE A 20 -9.603 2.002 -7.548 1.00 0.40 C ATOM 316 CE1 PHE A 20 -7.164 0.864 -6.964 1.00 75.14 C ATOM 317 CE2 PHE A 20 -8.499 2.322 -8.304 1.00 55.40 C ATOM 318 CZ PHE A 20 -7.280 1.753 -8.014 1.00 12.13 C ATOM 0 H PHE A 20 -12.712 0.741 -4.174 1.00 1.43 H new ATOM 0 HA PHE A 20 -10.068 1.132 -3.606 1.00 31.30 H new ATOM 0 HB2 PHE A 20 -10.717 -0.283 -5.426 1.00 73.02 H new ATOM 0 HB3 PHE A 20 -11.614 0.998 -6.217 1.00 73.02 H new ATOM 0 HD1 PHE A 20 -8.174 -0.146 -5.384 1.00 31.14 H new ATOM 0 HD2 PHE A 20 -10.558 2.448 -7.782 1.00 0.40 H new ATOM 0 HE1 PHE A 20 -6.207 0.417 -6.737 1.00 75.14 H new ATOM 0 HE2 PHE A 20 -8.589 3.019 -9.124 1.00 55.40 H new ATOM 0 HZ PHE A 20 -6.413 2.002 -8.608 1.00 12.13 H new ATOM 328 N ASN A 21 -11.256 3.911 -4.858 1.00 44.42 N ATOM 329 CA ASN A 21 -10.873 5.314 -5.114 1.00 31.03 C ATOM 330 C ASN A 21 -10.290 5.961 -3.863 1.00 24.45 C ATOM 331 O ASN A 21 -9.188 6.500 -3.893 1.00 54.52 O ATOM 332 CB ASN A 21 -12.060 6.147 -5.625 1.00 74.11 C ATOM 333 CG ASN A 21 -11.679 7.601 -5.939 1.00 5.02 C ATOM 334 OD1 ASN A 21 -10.559 7.897 -6.338 1.00 42.54 O ATOM 335 ND2 ASN A 21 -12.606 8.509 -5.755 1.00 21.22 N ATOM 0 H ASN A 21 -12.246 3.705 -4.992 1.00 44.42 H new ATOM 0 HA ASN A 21 -10.110 5.295 -5.892 1.00 31.03 H new ATOM 0 HB2 ASN A 21 -12.464 5.681 -6.523 1.00 74.11 H new ATOM 0 HB3 ASN A 21 -12.853 6.138 -4.877 1.00 74.11 H new ATOM 0 HD21 ASN A 21 -12.403 9.490 -5.945 1.00 21.22 H new ATOM 0 HD22 ASN A 21 -13.530 8.234 -5.422 1.00 21.22 H new ATOM 342 N THR A 22 -10.983 5.816 -2.747 1.00 10.45 N ATOM 343 CA THR A 22 -10.536 6.424 -1.518 1.00 4.23 C ATOM 344 C THR A 22 -9.256 5.738 -1.010 1.00 13.21 C ATOM 345 O THR A 22 -8.351 6.406 -0.490 1.00 34.51 O ATOM 346 CB THR A 22 -11.660 6.523 -0.425 1.00 50.52 C ATOM 347 OG1 THR A 22 -11.183 7.198 0.738 1.00 45.21 O ATOM 348 CG2 THR A 22 -12.204 5.162 -0.022 1.00 74.25 C ATOM 0 H THR A 22 -11.851 5.285 -2.672 1.00 10.45 H new ATOM 0 HA THR A 22 -10.287 7.461 -1.742 1.00 4.23 H new ATOM 0 HB THR A 22 -12.472 7.093 -0.876 1.00 50.52 H new ATOM 0 HG1 THR A 22 -11.900 7.249 1.404 1.00 45.21 H new ATOM 0 HG21 THR A 22 -12.977 5.289 0.735 1.00 74.25 H new ATOM 0 HG22 THR A 22 -12.629 4.667 -0.895 1.00 74.25 H new ATOM 0 HG23 THR A 22 -11.396 4.553 0.383 1.00 74.25 H new ATOM 356 N VAL A 23 -9.169 4.418 -1.199 1.00 25.42 N ATOM 357 CA VAL A 23 -7.976 3.664 -0.828 1.00 20.12 C ATOM 358 C VAL A 23 -6.781 4.143 -1.659 1.00 32.20 C ATOM 359 O VAL A 23 -5.692 4.354 -1.124 1.00 41.03 O ATOM 360 CB VAL A 23 -8.178 2.132 -1.012 1.00 1.31 C ATOM 361 CG1 VAL A 23 -6.910 1.367 -0.660 1.00 0.30 C ATOM 362 CG2 VAL A 23 -9.329 1.641 -0.152 1.00 4.50 C ATOM 0 H VAL A 23 -9.913 3.852 -1.607 1.00 25.42 H new ATOM 0 HA VAL A 23 -7.782 3.843 0.230 1.00 20.12 H new ATOM 0 HB VAL A 23 -8.413 1.950 -2.061 1.00 1.31 H new ATOM 0 HG11 VAL A 23 -7.079 0.299 -0.797 1.00 0.30 H new ATOM 0 HG12 VAL A 23 -6.097 1.692 -1.309 1.00 0.30 H new ATOM 0 HG13 VAL A 23 -6.644 1.561 0.379 1.00 0.30 H new ATOM 0 HG21 VAL A 23 -9.456 0.568 -0.293 1.00 4.50 H new ATOM 0 HG22 VAL A 23 -9.113 1.846 0.897 1.00 4.50 H new ATOM 0 HG23 VAL A 23 -10.245 2.156 -0.441 1.00 4.50 H new ATOM 372 N TYR A 24 -7.010 4.342 -2.953 1.00 70.42 N ATOM 373 CA TYR A 24 -5.999 4.856 -3.870 1.00 45.13 C ATOM 374 C TYR A 24 -5.491 6.204 -3.390 1.00 4.41 C ATOM 375 O TYR A 24 -4.279 6.439 -3.337 1.00 25.22 O ATOM 376 CB TYR A 24 -6.581 4.966 -5.309 1.00 4.55 C ATOM 377 CG TYR A 24 -5.697 5.685 -6.323 1.00 43.52 C ATOM 378 CD1 TYR A 24 -4.728 5.004 -7.038 1.00 43.40 C ATOM 379 CD2 TYR A 24 -5.846 7.052 -6.565 1.00 64.32 C ATOM 380 CE1 TYR A 24 -3.929 5.652 -7.959 1.00 61.53 C ATOM 381 CE2 TYR A 24 -5.051 7.704 -7.486 1.00 30.24 C ATOM 382 CZ TYR A 24 -4.093 6.998 -8.178 1.00 44.44 C ATOM 383 OH TYR A 24 -3.299 7.641 -9.101 1.00 2.45 O ATOM 0 H TYR A 24 -7.908 4.150 -3.398 1.00 70.42 H new ATOM 0 HA TYR A 24 -5.159 4.161 -3.893 1.00 45.13 H new ATOM 0 HB2 TYR A 24 -6.783 3.960 -5.678 1.00 4.55 H new ATOM 0 HB3 TYR A 24 -7.538 5.484 -5.256 1.00 4.55 H new ATOM 0 HD1 TYR A 24 -4.594 3.945 -6.873 1.00 43.40 H new ATOM 0 HD2 TYR A 24 -6.596 7.609 -6.022 1.00 64.32 H new ATOM 0 HE1 TYR A 24 -3.177 5.102 -8.506 1.00 61.53 H new ATOM 0 HE2 TYR A 24 -5.180 8.762 -7.663 1.00 30.24 H new ATOM 0 HH TYR A 24 -3.542 8.590 -9.137 1.00 2.45 H new ATOM 393 N ASN A 25 -6.420 7.073 -3.010 1.00 54.31 N ATOM 394 CA ASN A 25 -6.085 8.395 -2.537 1.00 21.32 C ATOM 395 C ASN A 25 -5.261 8.299 -1.262 1.00 10.44 C ATOM 396 O ASN A 25 -4.189 8.890 -1.163 1.00 43.25 O ATOM 397 CB ASN A 25 -7.349 9.217 -2.229 1.00 33.34 C ATOM 398 CG ASN A 25 -8.340 9.394 -3.382 1.00 63.34 C ATOM 399 OD1 ASN A 25 -9.532 9.530 -3.149 1.00 14.32 O ATOM 400 ND2 ASN A 25 -7.874 9.396 -4.610 1.00 43.42 N ATOM 0 H ASN A 25 -7.420 6.875 -3.024 1.00 54.31 H new ATOM 0 HA ASN A 25 -5.517 8.889 -3.326 1.00 21.32 H new ATOM 0 HB2 ASN A 25 -7.872 8.743 -1.398 1.00 33.34 H new ATOM 0 HB3 ASN A 25 -7.040 10.205 -1.889 1.00 33.34 H new ATOM 0 HD21 ASN A 25 -8.512 9.513 -5.397 1.00 43.42 H new ATOM 0 HD22 ASN A 25 -6.874 9.281 -4.776 1.00 43.42 H new ATOM 407 N ALA A 26 -5.749 7.511 -0.317 1.00 41.51 N ATOM 408 CA ALA A 26 -5.128 7.378 0.990 1.00 15.43 C ATOM 409 C ALA A 26 -3.741 6.756 0.919 1.00 43.13 C ATOM 410 O ALA A 26 -2.805 7.286 1.503 1.00 73.42 O ATOM 411 CB ALA A 26 -6.024 6.583 1.926 1.00 32.31 C ATOM 0 H ALA A 26 -6.589 6.945 -0.436 1.00 41.51 H new ATOM 0 HA ALA A 26 -5.002 8.386 1.386 1.00 15.43 H new ATOM 0 HB1 ALA A 26 -5.544 6.493 2.900 1.00 32.31 H new ATOM 0 HB2 ALA A 26 -6.979 7.096 2.038 1.00 32.31 H new ATOM 0 HB3 ALA A 26 -6.193 5.589 1.511 1.00 32.31 H new ATOM 417 N THR A 27 -3.611 5.675 0.175 1.00 53.14 N ATOM 418 CA THR A 27 -2.348 4.963 0.054 1.00 54.22 C ATOM 419 C THR A 27 -1.283 5.842 -0.602 1.00 52.30 C ATOM 420 O THR A 27 -0.152 5.939 -0.103 1.00 72.33 O ATOM 421 CB THR A 27 -2.527 3.673 -0.772 1.00 12.11 C ATOM 422 OG1 THR A 27 -3.602 2.906 -0.217 1.00 31.30 O ATOM 423 CG2 THR A 27 -1.251 2.836 -0.766 1.00 65.32 C ATOM 0 H THR A 27 -4.374 5.264 -0.363 1.00 53.14 H new ATOM 0 HA THR A 27 -2.020 4.703 1.060 1.00 54.22 H new ATOM 0 HB THR A 27 -2.751 3.948 -1.803 1.00 12.11 H new ATOM 0 HG1 THR A 27 -4.453 3.218 -0.590 1.00 31.30 H new ATOM 0 HG21 THR A 27 -1.406 1.933 -1.356 1.00 65.32 H new ATOM 0 HG22 THR A 27 -0.434 3.415 -1.197 1.00 65.32 H new ATOM 0 HG23 THR A 27 -1.001 2.562 0.259 1.00 65.32 H new ATOM 431 N LEU A 28 -1.666 6.511 -1.689 1.00 51.20 N ATOM 432 CA LEU A 28 -0.754 7.360 -2.433 1.00 2.42 C ATOM 433 C LEU A 28 -0.200 8.470 -1.549 1.00 5.43 C ATOM 434 O LEU A 28 1.003 8.631 -1.441 1.00 73.24 O ATOM 435 CB LEU A 28 -1.466 7.960 -3.651 1.00 75.14 C ATOM 436 CG LEU A 28 -0.643 8.907 -4.532 1.00 73.41 C ATOM 437 CD1 LEU A 28 0.537 8.180 -5.171 1.00 63.03 C ATOM 438 CD2 LEU A 28 -1.527 9.544 -5.592 1.00 42.34 C ATOM 0 H LEU A 28 -2.611 6.476 -2.071 1.00 51.20 H new ATOM 0 HA LEU A 28 0.081 6.748 -2.775 1.00 2.42 H new ATOM 0 HB2 LEU A 28 -1.824 7.140 -4.274 1.00 75.14 H new ATOM 0 HB3 LEU A 28 -2.345 8.500 -3.299 1.00 75.14 H new ATOM 0 HG LEU A 28 -0.239 9.697 -3.899 1.00 73.41 H new ATOM 0 HD11 LEU A 28 1.102 8.877 -5.790 1.00 63.03 H new ATOM 0 HD12 LEU A 28 1.185 7.781 -4.390 1.00 63.03 H new ATOM 0 HD13 LEU A 28 0.168 7.362 -5.790 1.00 63.03 H new ATOM 0 HD21 LEU A 28 -0.929 10.214 -6.210 1.00 42.34 H new ATOM 0 HD22 LEU A 28 -1.963 8.765 -6.218 1.00 42.34 H new ATOM 0 HD23 LEU A 28 -2.324 10.110 -5.109 1.00 42.34 H new ATOM 450 N GLN A 29 -1.083 9.182 -0.876 1.00 21.55 N ATOM 451 CA GLN A 29 -0.691 10.296 -0.015 1.00 4.22 C ATOM 452 C GLN A 29 0.122 9.812 1.181 1.00 72.13 C ATOM 453 O GLN A 29 1.063 10.467 1.592 1.00 13.44 O ATOM 454 CB GLN A 29 -1.921 11.060 0.468 1.00 0.23 C ATOM 455 CG GLN A 29 -2.799 11.587 -0.655 1.00 41.24 C ATOM 456 CD GLN A 29 -2.133 12.636 -1.529 1.00 1.15 C ATOM 457 OE1 GLN A 29 -1.307 13.404 -1.081 1.00 64.14 O ATOM 458 NE2 GLN A 29 -2.488 12.658 -2.788 1.00 72.42 N ATOM 0 H GLN A 29 -2.088 9.011 -0.906 1.00 21.55 H new ATOM 0 HA GLN A 29 -0.066 10.965 -0.606 1.00 4.22 H new ATOM 0 HB2 GLN A 29 -2.516 10.405 1.105 1.00 0.23 H new ATOM 0 HB3 GLN A 29 -1.597 11.897 1.086 1.00 0.23 H new ATOM 0 HG2 GLN A 29 -3.107 10.751 -1.282 1.00 41.24 H new ATOM 0 HG3 GLN A 29 -3.705 12.013 -0.223 1.00 41.24 H new ATOM 0 HE21 GLN A 29 -3.185 11.998 -3.133 1.00 72.42 H new ATOM 0 HE22 GLN A 29 -2.067 13.335 -3.425 1.00 72.42 H new ATOM 467 N ALA A 30 -0.231 8.642 1.708 1.00 73.31 N ATOM 468 CA ALA A 30 0.452 8.073 2.868 1.00 41.10 C ATOM 469 C ALA A 30 1.938 7.888 2.604 1.00 1.35 C ATOM 470 O ALA A 30 2.780 8.213 3.454 1.00 70.12 O ATOM 471 CB ALA A 30 -0.177 6.748 3.271 1.00 70.25 C ATOM 0 H ALA A 30 -0.991 8.066 1.347 1.00 73.31 H new ATOM 0 HA ALA A 30 0.339 8.779 3.690 1.00 41.10 H new ATOM 0 HB1 ALA A 30 0.348 6.344 4.136 1.00 70.25 H new ATOM 0 HB2 ALA A 30 -1.226 6.905 3.524 1.00 70.25 H new ATOM 0 HB3 ALA A 30 -0.105 6.044 2.442 1.00 70.25 H new ATOM 477 N ILE A 31 2.259 7.380 1.440 1.00 3.12 N ATOM 478 CA ILE A 31 3.637 7.158 1.091 1.00 15.44 C ATOM 479 C ILE A 31 4.296 8.424 0.492 1.00 22.04 C ATOM 480 O ILE A 31 5.374 8.805 0.914 1.00 52.33 O ATOM 481 CB ILE A 31 3.819 5.897 0.177 1.00 12.01 C ATOM 482 CG1 ILE A 31 5.296 5.680 -0.175 1.00 50.22 C ATOM 483 CG2 ILE A 31 2.951 5.967 -1.078 1.00 43.24 C ATOM 484 CD1 ILE A 31 5.565 4.439 -0.997 1.00 22.44 C ATOM 0 H ILE A 31 1.586 7.114 0.721 1.00 3.12 H new ATOM 0 HA ILE A 31 4.168 6.944 2.019 1.00 15.44 H new ATOM 0 HB ILE A 31 3.479 5.033 0.748 1.00 12.01 H new ATOM 0 HG12 ILE A 31 5.658 6.550 -0.723 1.00 50.22 H new ATOM 0 HG13 ILE A 31 5.873 5.622 0.748 1.00 50.22 H new ATOM 0 HG21 ILE A 31 3.110 5.073 -1.681 1.00 43.24 H new ATOM 0 HG22 ILE A 31 1.901 6.029 -0.791 1.00 43.24 H new ATOM 0 HG23 ILE A 31 3.222 6.849 -1.659 1.00 43.24 H new ATOM 0 HD11 ILE A 31 6.633 4.362 -1.201 1.00 22.44 H new ATOM 0 HD12 ILE A 31 5.237 3.558 -0.445 1.00 22.44 H new ATOM 0 HD13 ILE A 31 5.019 4.501 -1.939 1.00 22.44 H new ATOM 496 N GLN A 32 3.588 9.106 -0.412 1.00 72.14 N ATOM 497 CA GLN A 32 4.117 10.281 -1.142 1.00 2.23 C ATOM 498 C GLN A 32 4.415 11.421 -0.153 1.00 0.43 C ATOM 499 O GLN A 32 5.486 11.995 -0.152 1.00 3.11 O ATOM 500 CB GLN A 32 3.030 10.755 -2.142 1.00 15.13 C ATOM 501 CG GLN A 32 3.456 11.624 -3.344 1.00 64.02 C ATOM 502 CD GLN A 32 4.315 12.830 -3.014 1.00 63.14 C ATOM 503 OE1 GLN A 32 5.527 12.765 -3.078 1.00 4.02 O ATOM 504 NE2 GLN A 32 3.701 13.902 -2.597 1.00 1.12 N ATOM 0 H GLN A 32 2.630 8.866 -0.665 1.00 72.14 H new ATOM 0 HA GLN A 32 5.035 10.012 -1.664 1.00 2.23 H new ATOM 0 HB2 GLN A 32 2.534 9.868 -2.535 1.00 15.13 H new ATOM 0 HB3 GLN A 32 2.284 11.314 -1.578 1.00 15.13 H new ATOM 0 HG2 GLN A 32 4.001 10.995 -4.048 1.00 64.02 H new ATOM 0 HG3 GLN A 32 2.557 11.970 -3.855 1.00 64.02 H new ATOM 0 HE21 GLN A 32 2.682 13.923 -2.556 1.00 1.12 H new ATOM 0 HE22 GLN A 32 4.240 14.720 -2.312 1.00 1.12 H new ATOM 513 N ASN A 33 3.472 11.682 0.720 1.00 13.32 N ATOM 514 CA ASN A 33 3.555 12.823 1.631 1.00 60.25 C ATOM 515 C ASN A 33 4.320 12.485 2.896 1.00 60.44 C ATOM 516 O ASN A 33 4.415 13.309 3.806 1.00 31.04 O ATOM 517 CB ASN A 33 2.144 13.345 1.977 1.00 14.04 C ATOM 518 CG ASN A 33 1.417 14.009 0.812 1.00 62.40 C ATOM 519 OD1 ASN A 33 1.663 13.718 -0.360 1.00 71.30 O ATOM 520 ND2 ASN A 33 0.492 14.881 1.124 1.00 73.33 N ATOM 0 H ASN A 33 2.627 11.121 0.827 1.00 13.32 H new ATOM 0 HA ASN A 33 4.107 13.610 1.116 1.00 60.25 H new ATOM 0 HB2 ASN A 33 1.540 12.513 2.340 1.00 14.04 H new ATOM 0 HB3 ASN A 33 2.225 14.061 2.795 1.00 14.04 H new ATOM 0 HD21 ASN A 33 -0.046 15.339 0.388 1.00 73.33 H new ATOM 0 HD22 ASN A 33 0.310 15.103 2.103 1.00 73.33 H new ATOM 527 N GLY A 34 4.877 11.277 2.939 1.00 60.53 N ATOM 528 CA GLY A 34 5.650 10.832 4.080 1.00 0.22 C ATOM 529 C GLY A 34 4.840 10.813 5.357 1.00 31.52 C ATOM 530 O GLY A 34 5.204 11.433 6.348 1.00 74.44 O ATOM 0 H GLY A 34 4.803 10.590 2.189 1.00 60.53 H new ATOM 0 HA2 GLY A 34 6.037 9.832 3.885 1.00 0.22 H new ATOM 0 HA3 GLY A 34 6.511 11.488 4.209 1.00 0.22 H new ATOM 534 N GLN A 35 3.734 10.098 5.344 1.00 14.51 N ATOM 535 CA GLN A 35 2.880 10.028 6.521 1.00 62.32 C ATOM 536 C GLN A 35 3.298 8.844 7.386 1.00 63.54 C ATOM 537 O GLN A 35 2.724 8.577 8.434 1.00 71.24 O ATOM 538 CB GLN A 35 1.401 9.923 6.128 1.00 74.40 C ATOM 539 CG GLN A 35 0.880 10.946 5.079 1.00 20.41 C ATOM 540 CD GLN A 35 0.975 12.447 5.446 1.00 64.22 C ATOM 541 OE1 GLN A 35 2.041 12.884 6.069 1.00 14.43 O flip ATOM 542 NE2 GLN A 35 0.116 13.224 5.053 1.00 45.52 N flip ATOM 0 H GLN A 35 3.404 9.561 4.542 1.00 14.51 H new ATOM 0 HA GLN A 35 2.999 10.947 7.095 1.00 62.32 H new ATOM 0 HB2 GLN A 35 1.223 8.920 5.742 1.00 74.40 H new ATOM 0 HB3 GLN A 35 0.801 10.028 7.032 1.00 74.40 H new ATOM 0 HG2 GLN A 35 1.431 10.789 4.152 1.00 20.41 H new ATOM 0 HG3 GLN A 35 -0.165 10.715 4.871 1.00 20.41 H new ATOM 0 HE21 GLN A 35 -0.709 12.870 4.569 1.00 45.52 H new ATOM 0 HE22 GLN A 35 0.225 14.226 5.209 1.00 45.52 H new ATOM 551 N THR A 36 4.301 8.151 6.929 1.00 50.02 N ATOM 552 CA THR A 36 4.859 7.048 7.622 1.00 34.41 C ATOM 553 C THR A 36 6.368 7.164 7.513 1.00 2.12 C ATOM 554 O THR A 36 6.877 7.613 6.486 1.00 33.42 O ATOM 555 CB THR A 36 4.350 5.675 7.041 1.00 52.03 C ATOM 556 OG1 THR A 36 4.894 4.560 7.783 1.00 3.44 O ATOM 557 CG2 THR A 36 4.680 5.516 5.553 1.00 31.35 C ATOM 0 H THR A 36 4.759 8.351 6.040 1.00 50.02 H new ATOM 0 HA THR A 36 4.547 7.067 8.666 1.00 34.41 H new ATOM 0 HB THR A 36 3.265 5.679 7.146 1.00 52.03 H new ATOM 0 HG1 THR A 36 4.442 3.734 7.511 1.00 3.44 H new ATOM 0 HG21 THR A 36 4.309 4.554 5.199 1.00 31.35 H new ATOM 0 HG22 THR A 36 4.206 6.318 4.987 1.00 31.35 H new ATOM 0 HG23 THR A 36 5.760 5.562 5.413 1.00 31.35 H new ATOM 565 N PHE A 37 7.062 6.846 8.573 1.00 61.22 N ATOM 566 CA PHE A 37 8.498 6.885 8.566 1.00 53.03 C ATOM 567 C PHE A 37 9.026 5.537 8.990 1.00 41.32 C ATOM 568 O PHE A 37 8.380 4.829 9.792 1.00 45.24 O ATOM 569 CB PHE A 37 9.048 8.022 9.465 1.00 63.43 C ATOM 570 CG PHE A 37 8.709 7.910 10.936 1.00 31.22 C ATOM 571 CD1 PHE A 37 7.501 8.385 11.424 1.00 54.13 C ATOM 572 CD2 PHE A 37 9.607 7.337 11.827 1.00 43.22 C ATOM 573 CE1 PHE A 37 7.195 8.290 12.767 1.00 72.53 C ATOM 574 CE2 PHE A 37 9.306 7.239 13.170 1.00 75.30 C ATOM 575 CZ PHE A 37 8.098 7.714 13.641 1.00 2.44 C ATOM 0 H PHE A 37 6.650 6.555 9.460 1.00 61.22 H new ATOM 0 HA PHE A 37 8.842 7.104 7.555 1.00 53.03 H new ATOM 0 HB2 PHE A 37 10.133 8.052 9.361 1.00 63.43 H new ATOM 0 HB3 PHE A 37 8.666 8.973 9.093 1.00 63.43 H new ATOM 0 HD1 PHE A 37 6.791 8.835 10.745 1.00 54.13 H new ATOM 0 HD2 PHE A 37 10.553 6.963 11.464 1.00 43.22 H new ATOM 0 HE1 PHE A 37 6.251 8.665 13.134 1.00 72.53 H new ATOM 0 HE2 PHE A 37 10.014 6.791 13.852 1.00 75.30 H new ATOM 0 HZ PHE A 37 7.859 7.636 14.691 1.00 2.44 H new ATOM 585 N ASP A 38 10.135 5.156 8.429 1.00 70.14 N ATOM 586 CA ASP A 38 10.763 3.894 8.749 1.00 63.03 C ATOM 587 C ASP A 38 11.912 4.149 9.675 1.00 2.03 C ATOM 588 O ASP A 38 12.369 5.286 9.781 1.00 50.12 O ATOM 589 CB ASP A 38 11.250 3.193 7.475 1.00 43.33 C ATOM 590 CG ASP A 38 11.702 1.776 7.712 1.00 44.10 C ATOM 591 OD1 ASP A 38 10.919 1.001 8.301 1.00 15.04 O ATOM 592 OD2 ASP A 38 12.850 1.441 7.348 1.00 20.12 O ATOM 0 H ASP A 38 10.637 5.708 7.734 1.00 70.14 H new ATOM 0 HA ASP A 38 10.038 3.240 9.233 1.00 63.03 H new ATOM 0 HB2 ASP A 38 10.446 3.193 6.739 1.00 43.33 H new ATOM 0 HB3 ASP A 38 12.074 3.763 7.047 1.00 43.33 H new ATOM 597 N TYR A 39 12.415 3.109 10.299 1.00 30.44 N ATOM 598 CA TYR A 39 13.513 3.228 11.248 1.00 15.44 C ATOM 599 C TYR A 39 14.792 3.690 10.563 1.00 53.23 C ATOM 600 O TYR A 39 15.667 4.255 11.194 1.00 40.51 O ATOM 601 CB TYR A 39 13.746 1.906 11.982 1.00 64.25 C ATOM 602 CG TYR A 39 12.562 1.452 12.805 1.00 62.23 C ATOM 603 CD1 TYR A 39 12.357 1.945 14.088 1.00 45.45 C ATOM 604 CD2 TYR A 39 11.650 0.533 12.303 1.00 24.22 C ATOM 605 CE1 TYR A 39 11.278 1.538 14.843 1.00 32.34 C ATOM 606 CE2 TYR A 39 10.570 0.121 13.054 1.00 32.13 C ATOM 607 CZ TYR A 39 10.387 0.625 14.321 1.00 50.32 C ATOM 608 OH TYR A 39 9.310 0.218 15.068 1.00 43.43 O ATOM 0 H TYR A 39 12.079 2.155 10.168 1.00 30.44 H new ATOM 0 HA TYR A 39 13.232 3.985 11.981 1.00 15.44 H new ATOM 0 HB2 TYR A 39 13.988 1.133 11.252 1.00 64.25 H new ATOM 0 HB3 TYR A 39 14.613 2.011 12.635 1.00 64.25 H new ATOM 0 HD1 TYR A 39 13.055 2.659 14.500 1.00 45.45 H new ATOM 0 HD2 TYR A 39 11.789 0.135 11.309 1.00 24.22 H new ATOM 0 HE1 TYR A 39 11.132 1.932 15.838 1.00 32.34 H new ATOM 0 HE2 TYR A 39 9.870 -0.595 12.649 1.00 32.13 H new ATOM 0 HH TYR A 39 8.780 -0.426 14.554 1.00 43.43 H new ATOM 618 N LYS A 40 14.888 3.452 9.266 1.00 1.13 N ATOM 619 CA LYS A 40 16.055 3.884 8.527 1.00 2.20 C ATOM 620 C LYS A 40 15.724 5.063 7.606 1.00 34.20 C ATOM 621 O LYS A 40 16.567 5.481 6.827 1.00 62.41 O ATOM 622 CB LYS A 40 16.641 2.726 7.718 1.00 32.24 C ATOM 623 CG LYS A 40 15.708 2.201 6.652 1.00 64.13 C ATOM 624 CD LYS A 40 16.317 1.058 5.890 1.00 63.13 C ATOM 625 CE LYS A 40 15.391 0.589 4.790 1.00 60.14 C ATOM 626 NZ LYS A 40 14.112 0.010 5.297 1.00 45.40 N ATOM 0 H LYS A 40 14.181 2.969 8.712 1.00 1.13 H new ATOM 0 HA LYS A 40 16.800 4.218 9.249 1.00 2.20 H new ATOM 0 HB2 LYS A 40 17.568 3.054 7.248 1.00 32.24 H new ATOM 0 HB3 LYS A 40 16.898 1.913 8.397 1.00 32.24 H new ATOM 0 HG2 LYS A 40 14.776 1.874 7.114 1.00 64.13 H new ATOM 0 HG3 LYS A 40 15.457 3.006 5.961 1.00 64.13 H new ATOM 0 HD2 LYS A 40 17.270 1.368 5.461 1.00 63.13 H new ATOM 0 HD3 LYS A 40 16.527 0.233 6.570 1.00 63.13 H new ATOM 0 HE2 LYS A 40 15.165 1.429 4.133 1.00 60.14 H new ATOM 0 HE3 LYS A 40 15.906 -0.159 4.187 1.00 60.14 H new ATOM 0 HZ1 LYS A 40 13.483 -0.197 4.495 1.00 45.40 H new ATOM 0 HZ2 LYS A 40 14.311 -0.868 5.817 1.00 45.40 H new ATOM 0 HZ3 LYS A 40 13.650 0.692 5.932 1.00 45.40 H new ATOM 640 N SER A 41 14.486 5.595 7.715 1.00 75.54 N ATOM 641 CA SER A 41 14.040 6.742 6.900 1.00 12.21 C ATOM 642 C SER A 41 14.148 6.436 5.378 1.00 21.35 C ATOM 643 O SER A 41 14.601 7.277 4.599 1.00 72.04 O ATOM 644 CB SER A 41 14.849 8.012 7.291 1.00 60.30 C ATOM 645 OG SER A 41 14.401 9.161 6.590 1.00 54.14 O ATOM 0 H SER A 41 13.778 5.246 8.361 1.00 75.54 H new ATOM 0 HA SER A 41 12.986 6.928 7.106 1.00 12.21 H new ATOM 0 HB2 SER A 41 14.760 8.183 8.364 1.00 60.30 H new ATOM 0 HB3 SER A 41 15.906 7.848 7.081 1.00 60.30 H new ATOM 0 HG SER A 41 14.409 8.980 5.627 1.00 54.14 H new ATOM 651 N ASN A 42 13.681 5.254 4.970 1.00 23.45 N ATOM 652 CA ASN A 42 13.834 4.792 3.581 1.00 40.42 C ATOM 653 C ASN A 42 13.031 5.680 2.607 1.00 73.35 C ATOM 654 O ASN A 42 11.967 6.183 2.966 1.00 74.42 O ATOM 655 CB ASN A 42 13.369 3.316 3.442 1.00 15.44 C ATOM 656 CG ASN A 42 11.849 3.125 3.329 1.00 11.22 C ATOM 657 OD1 ASN A 42 11.135 3.032 4.331 1.00 61.23 O ATOM 658 ND2 ASN A 42 11.360 3.019 2.114 1.00 71.41 N ATOM 0 H ASN A 42 13.193 4.597 5.579 1.00 23.45 H new ATOM 0 HA ASN A 42 14.891 4.861 3.325 1.00 40.42 H new ATOM 0 HB2 ASN A 42 13.842 2.883 2.560 1.00 15.44 H new ATOM 0 HB3 ASN A 42 13.728 2.754 4.304 1.00 15.44 H new ATOM 0 HD21 ASN A 42 10.362 2.855 1.978 1.00 71.41 H new ATOM 0 HD22 ASN A 42 11.978 3.101 1.307 1.00 71.41 H new ATOM 665 N PRO A 43 13.577 5.920 1.386 1.00 32.44 N ATOM 666 CA PRO A 43 12.913 6.715 0.334 1.00 51.31 C ATOM 667 C PRO A 43 11.478 6.262 0.031 1.00 30.52 C ATOM 668 O PRO A 43 11.211 5.097 -0.322 1.00 65.20 O ATOM 669 CB PRO A 43 13.809 6.507 -0.883 1.00 24.02 C ATOM 670 CG PRO A 43 15.151 6.290 -0.302 1.00 64.12 C ATOM 671 CD PRO A 43 14.926 5.490 0.948 1.00 11.20 C ATOM 0 HA PRO A 43 12.803 7.756 0.637 1.00 51.31 H new ATOM 0 HB2 PRO A 43 13.487 5.651 -1.475 1.00 24.02 H new ATOM 0 HB3 PRO A 43 13.795 7.374 -1.543 1.00 24.02 H new ATOM 0 HG2 PRO A 43 15.798 5.756 -0.998 1.00 64.12 H new ATOM 0 HG3 PRO A 43 15.639 7.239 -0.078 1.00 64.12 H new ATOM 0 HD2 PRO A 43 14.963 4.418 0.753 1.00 11.20 H new ATOM 0 HD3 PRO A 43 15.682 5.703 1.704 1.00 11.20 H new ATOM 679 N TYR A 44 10.577 7.182 0.223 1.00 43.21 N ATOM 680 CA TYR A 44 9.153 7.014 -0.008 1.00 20.03 C ATOM 681 C TYR A 44 8.753 7.568 -1.330 1.00 50.43 C ATOM 682 O TYR A 44 7.601 7.431 -1.769 1.00 44.14 O ATOM 683 CB TYR A 44 8.316 7.590 1.111 1.00 75.32 C ATOM 684 CG TYR A 44 8.498 6.832 2.377 1.00 1.23 C ATOM 685 CD1 TYR A 44 8.119 5.505 2.445 1.00 22.25 C ATOM 686 CD2 TYR A 44 9.064 7.419 3.495 1.00 73.33 C ATOM 687 CE1 TYR A 44 8.301 4.780 3.580 1.00 30.24 C ATOM 688 CE2 TYR A 44 9.244 6.692 4.645 1.00 44.32 C ATOM 689 CZ TYR A 44 8.861 5.371 4.674 1.00 54.24 C ATOM 690 OH TYR A 44 9.046 4.637 5.789 1.00 53.30 O ATOM 0 H TYR A 44 10.816 8.115 0.560 1.00 43.21 H new ATOM 0 HA TYR A 44 8.958 5.942 -0.022 1.00 20.03 H new ATOM 0 HB2 TYR A 44 8.588 8.634 1.269 1.00 75.32 H new ATOM 0 HB3 TYR A 44 7.264 7.574 0.825 1.00 75.32 H new ATOM 0 HD1 TYR A 44 7.671 5.036 1.582 1.00 22.25 H new ATOM 0 HD2 TYR A 44 9.366 8.455 3.462 1.00 73.33 H new ATOM 0 HE1 TYR A 44 8.004 3.742 3.615 1.00 30.24 H new ATOM 0 HE2 TYR A 44 9.682 7.152 5.518 1.00 44.32 H new ATOM 0 HH TYR A 44 8.328 4.826 6.428 1.00 53.30 H new ATOM 700 N ASP A 45 9.712 8.119 -1.991 1.00 61.20 N ATOM 701 CA ASP A 45 9.515 8.934 -3.138 1.00 5.11 C ATOM 702 C ASP A 45 9.177 8.033 -4.280 1.00 74.14 C ATOM 703 O ASP A 45 9.921 7.095 -4.630 1.00 14.33 O ATOM 704 CB ASP A 45 10.840 9.657 -3.451 1.00 32.12 C ATOM 705 CG ASP A 45 11.468 10.315 -2.225 1.00 2.42 C ATOM 706 OD1 ASP A 45 11.940 9.557 -1.311 1.00 22.15 O ATOM 707 OD2 ASP A 45 11.516 11.552 -2.169 1.00 1.14 O ATOM 0 H ASP A 45 10.694 8.009 -1.736 1.00 61.20 H new ATOM 0 HA ASP A 45 8.721 9.662 -2.973 1.00 5.11 H new ATOM 0 HB2 ASP A 45 11.546 8.942 -3.874 1.00 32.12 H new ATOM 0 HB3 ASP A 45 10.661 10.417 -4.212 1.00 32.12 H new ATOM 712 N ILE A 46 8.020 8.319 -4.841 1.00 20.35 N ATOM 713 CA ILE A 46 7.374 7.497 -5.834 1.00 25.44 C ATOM 714 C ILE A 46 8.241 7.470 -7.059 1.00 42.52 C ATOM 715 O ILE A 46 8.463 8.501 -7.689 1.00 31.45 O ATOM 716 CB ILE A 46 5.994 8.104 -6.229 1.00 1.23 C ATOM 717 CG1 ILE A 46 5.143 8.505 -4.989 1.00 25.42 C ATOM 718 CG2 ILE A 46 5.216 7.144 -7.123 1.00 13.31 C ATOM 719 CD1 ILE A 46 4.728 7.372 -4.069 1.00 70.32 C ATOM 0 H ILE A 46 7.489 9.158 -4.608 1.00 20.35 H new ATOM 0 HA ILE A 46 7.225 6.496 -5.429 1.00 25.44 H new ATOM 0 HB ILE A 46 6.200 9.018 -6.786 1.00 1.23 H new ATOM 0 HG12 ILE A 46 5.709 9.231 -4.405 1.00 25.42 H new ATOM 0 HG13 ILE A 46 4.243 9.010 -5.340 1.00 25.42 H new ATOM 0 HG21 ILE A 46 4.256 7.589 -7.386 1.00 13.31 H new ATOM 0 HG22 ILE A 46 5.787 6.949 -8.031 1.00 13.31 H new ATOM 0 HG23 ILE A 46 5.048 6.207 -6.592 1.00 13.31 H new ATOM 0 HD11 ILE A 46 4.141 7.771 -3.242 1.00 70.32 H new ATOM 0 HD12 ILE A 46 4.128 6.652 -4.626 1.00 70.32 H new ATOM 0 HD13 ILE A 46 5.617 6.877 -3.677 1.00 70.32 H new ATOM 731 N SER A 47 8.750 6.318 -7.388 1.00 65.21 N ATOM 732 CA SER A 47 9.639 6.236 -8.491 1.00 54.21 C ATOM 733 C SER A 47 8.857 5.865 -9.751 1.00 43.54 C ATOM 734 O SER A 47 9.207 6.291 -10.847 1.00 33.22 O ATOM 735 CB SER A 47 10.681 5.173 -8.165 1.00 52.23 C ATOM 736 OG SER A 47 11.181 5.362 -6.833 1.00 44.14 O ATOM 0 H SER A 47 8.563 5.437 -6.910 1.00 65.21 H new ATOM 0 HA SER A 47 10.131 7.192 -8.672 1.00 54.21 H new ATOM 0 HB2 SER A 47 10.240 4.180 -8.259 1.00 52.23 H new ATOM 0 HB3 SER A 47 11.502 5.226 -8.880 1.00 52.23 H new ATOM 0 HG SER A 47 12.107 5.046 -6.783 1.00 44.14 H new ATOM 742 N VAL A 48 7.782 5.077 -9.594 1.00 45.20 N ATOM 743 CA VAL A 48 6.873 4.816 -10.699 1.00 31.53 C ATOM 744 C VAL A 48 5.449 4.740 -10.143 1.00 35.35 C ATOM 745 O VAL A 48 5.206 4.021 -9.167 1.00 41.21 O ATOM 746 CB VAL A 48 7.164 3.446 -11.409 1.00 61.15 C ATOM 747 CG1 VAL A 48 6.399 3.348 -12.718 1.00 75.32 C ATOM 748 CG2 VAL A 48 8.652 3.190 -11.646 1.00 3.21 C ATOM 0 H VAL A 48 7.530 4.618 -8.719 1.00 45.20 H new ATOM 0 HA VAL A 48 7.003 5.619 -11.424 1.00 31.53 H new ATOM 0 HB VAL A 48 6.819 2.670 -10.725 1.00 61.15 H new ATOM 0 HG11 VAL A 48 6.614 2.392 -13.194 1.00 75.32 H new ATOM 0 HG12 VAL A 48 5.330 3.423 -12.521 1.00 75.32 H new ATOM 0 HG13 VAL A 48 6.704 4.159 -13.379 1.00 75.32 H new ATOM 0 HG21 VAL A 48 8.781 2.227 -12.140 1.00 3.21 H new ATOM 0 HG22 VAL A 48 9.061 3.979 -12.277 1.00 3.21 H new ATOM 0 HG23 VAL A 48 9.176 3.181 -10.690 1.00 3.21 H new ATOM 758 N ASN A 49 4.524 5.447 -10.727 1.00 24.23 N ATOM 759 CA ASN A 49 3.119 5.299 -10.376 1.00 32.45 C ATOM 760 C ASN A 49 2.315 4.830 -11.583 1.00 23.42 C ATOM 761 O ASN A 49 2.348 5.474 -12.624 1.00 34.13 O ATOM 762 CB ASN A 49 2.529 6.586 -9.739 1.00 33.14 C ATOM 763 CG ASN A 49 2.569 7.818 -10.638 1.00 51.00 C ATOM 764 OD1 ASN A 49 3.558 8.528 -10.682 1.00 13.33 O ATOM 765 ND2 ASN A 49 1.482 8.105 -11.315 1.00 1.42 N ATOM 0 H ASN A 49 4.708 6.139 -11.454 1.00 24.23 H new ATOM 0 HA ASN A 49 3.048 4.530 -9.607 1.00 32.45 H new ATOM 0 HB2 ASN A 49 1.494 6.393 -9.455 1.00 33.14 H new ATOM 0 HB3 ASN A 49 3.076 6.804 -8.822 1.00 33.14 H new ATOM 0 HD21 ASN A 49 1.450 8.942 -11.898 1.00 1.42 H new ATOM 0 HD22 ASN A 49 0.669 7.491 -11.259 1.00 1.42 H new ATOM 772 N LYS A 50 1.634 3.700 -11.502 1.00 61.31 N ATOM 773 CA LYS A 50 0.795 3.320 -12.620 1.00 61.23 C ATOM 774 C LYS A 50 -0.627 3.249 -12.162 1.00 63.14 C ATOM 775 O LYS A 50 -0.906 2.807 -11.042 1.00 1.12 O ATOM 776 CB LYS A 50 1.155 1.922 -13.190 1.00 60.52 C ATOM 777 CG LYS A 50 2.614 1.700 -13.578 1.00 75.25 C ATOM 778 CD LYS A 50 3.523 1.464 -12.377 1.00 12.03 C ATOM 779 CE LYS A 50 3.157 0.221 -11.583 1.00 65.33 C ATOM 780 NZ LYS A 50 3.213 -1.043 -12.373 1.00 51.13 N ATOM 0 H LYS A 50 1.643 3.056 -10.711 1.00 61.31 H new ATOM 0 HA LYS A 50 0.948 4.069 -13.397 1.00 61.23 H new ATOM 0 HB2 LYS A 50 0.881 1.171 -12.449 1.00 60.52 H new ATOM 0 HB3 LYS A 50 0.537 1.743 -14.070 1.00 60.52 H new ATOM 0 HG2 LYS A 50 2.679 0.844 -14.249 1.00 75.25 H new ATOM 0 HG3 LYS A 50 2.972 2.567 -14.132 1.00 75.25 H new ATOM 0 HD2 LYS A 50 4.553 1.377 -12.721 1.00 12.03 H new ATOM 0 HD3 LYS A 50 3.479 2.333 -11.720 1.00 12.03 H new ATOM 0 HE2 LYS A 50 3.832 0.135 -10.731 1.00 65.33 H new ATOM 0 HE3 LYS A 50 2.151 0.342 -11.182 1.00 65.33 H new ATOM 0 HZ1 LYS A 50 2.567 -1.742 -11.955 1.00 51.13 H new ATOM 0 HZ2 LYS A 50 2.928 -0.852 -13.355 1.00 51.13 H new ATOM 0 HZ3 LYS A 50 4.183 -1.417 -12.361 1.00 51.13 H new ATOM 794 N ASN A 51 -1.517 3.688 -12.994 1.00 63.13 N ATOM 795 CA ASN A 51 -2.911 3.510 -12.748 1.00 21.52 C ATOM 796 C ASN A 51 -3.459 2.551 -13.784 1.00 53.44 C ATOM 797 O ASN A 51 -2.969 2.534 -14.910 1.00 75.21 O ATOM 798 CB ASN A 51 -3.703 4.838 -12.719 1.00 21.04 C ATOM 799 CG ASN A 51 -3.860 5.505 -14.078 1.00 70.02 C ATOM 800 OD1 ASN A 51 -4.819 5.260 -14.785 1.00 5.14 O ATOM 801 ND2 ASN A 51 -2.932 6.364 -14.436 1.00 33.21 N ATOM 0 H ASN A 51 -1.298 4.179 -13.861 1.00 63.13 H new ATOM 0 HA ASN A 51 -3.034 3.092 -11.749 1.00 21.52 H new ATOM 0 HB2 ASN A 51 -4.693 4.648 -12.304 1.00 21.04 H new ATOM 0 HB3 ASN A 51 -3.202 5.531 -12.043 1.00 21.04 H new ATOM 0 HD21 ASN A 51 -3.003 6.848 -15.331 1.00 33.21 H new ATOM 0 HD22 ASN A 51 -2.140 6.546 -13.819 1.00 33.21 H new ATOM 808 N ASN A 52 -4.405 1.745 -13.419 1.00 51.51 N ATOM 809 CA ASN A 52 -5.081 0.885 -14.386 1.00 31.23 C ATOM 810 C ASN A 52 -6.564 1.180 -14.366 1.00 43.51 C ATOM 811 O ASN A 52 -7.365 0.483 -14.982 1.00 54.22 O ATOM 812 CB ASN A 52 -4.829 -0.608 -14.090 1.00 21.24 C ATOM 813 CG ASN A 52 -3.383 -1.027 -14.295 1.00 15.45 C ATOM 814 OD1 ASN A 52 -2.557 -0.947 -13.389 1.00 22.31 O ATOM 815 ND2 ASN A 52 -3.065 -1.484 -15.481 1.00 11.20 N ATOM 0 H ASN A 52 -4.740 1.652 -12.460 1.00 51.51 H new ATOM 0 HA ASN A 52 -4.676 1.095 -15.376 1.00 31.23 H new ATOM 0 HB2 ASN A 52 -5.119 -0.821 -13.061 1.00 21.24 H new ATOM 0 HB3 ASN A 52 -5.469 -1.212 -14.733 1.00 21.24 H new ATOM 0 HD21 ASN A 52 -2.109 -1.785 -15.672 1.00 11.20 H new ATOM 0 HD22 ASN A 52 -3.773 -1.539 -16.213 1.00 11.20 H new ATOM 822 N GLY A 53 -6.929 2.214 -13.621 1.00 32.33 N ATOM 823 CA GLY A 53 -8.319 2.637 -13.505 1.00 31.53 C ATOM 824 C GLY A 53 -9.050 1.835 -12.456 1.00 74.03 C ATOM 825 O GLY A 53 -9.575 2.372 -11.499 1.00 1.30 O ATOM 0 H GLY A 53 -6.274 2.781 -13.082 1.00 32.33 H new ATOM 0 HA2 GLY A 53 -8.359 3.696 -13.250 1.00 31.53 H new ATOM 0 HA3 GLY A 53 -8.818 2.522 -14.467 1.00 31.53 H new ATOM 829 N THR A 54 -9.055 0.556 -12.657 1.00 34.04 N ATOM 830 CA THR A 54 -9.636 -0.394 -11.760 1.00 64.10 C ATOM 831 C THR A 54 -8.672 -0.706 -10.666 1.00 30.42 C ATOM 832 O THR A 54 -9.051 -0.814 -9.522 1.00 13.10 O ATOM 833 CB THR A 54 -10.092 -1.692 -12.539 1.00 44.24 C ATOM 834 OG1 THR A 54 -10.314 -2.801 -11.660 1.00 73.55 O ATOM 835 CG2 THR A 54 -9.116 -2.086 -13.654 1.00 21.44 C ATOM 0 H THR A 54 -8.638 0.127 -13.483 1.00 34.04 H new ATOM 0 HA THR A 54 -10.531 0.034 -11.308 1.00 64.10 H new ATOM 0 HB THR A 54 -11.042 -1.433 -13.007 1.00 44.24 H new ATOM 0 HG1 THR A 54 -9.497 -3.339 -11.599 1.00 73.55 H new ATOM 0 HG21 THR A 54 -9.479 -2.983 -14.155 1.00 21.44 H new ATOM 0 HG22 THR A 54 -9.041 -1.273 -14.376 1.00 21.44 H new ATOM 0 HG23 THR A 54 -8.133 -2.282 -13.225 1.00 21.44 H new ATOM 843 N ASP A 55 -7.428 -0.763 -10.994 1.00 54.25 N ATOM 844 CA ASP A 55 -6.450 -1.185 -10.052 1.00 25.34 C ATOM 845 C ASP A 55 -5.271 -0.265 -10.193 1.00 35.02 C ATOM 846 O ASP A 55 -5.191 0.476 -11.174 1.00 65.13 O ATOM 847 CB ASP A 55 -6.085 -2.665 -10.307 1.00 20.23 C ATOM 848 CG ASP A 55 -7.340 -3.567 -10.351 1.00 52.10 C ATOM 849 OD1 ASP A 55 -7.893 -3.898 -9.293 1.00 53.22 O ATOM 850 OD2 ASP A 55 -7.834 -3.866 -11.460 1.00 61.21 O ATOM 0 H ASP A 55 -7.062 -0.521 -11.915 1.00 54.25 H new ATOM 0 HA ASP A 55 -6.820 -1.131 -9.028 1.00 25.34 H new ATOM 0 HB2 ASP A 55 -5.544 -2.749 -11.250 1.00 20.23 H new ATOM 0 HB3 ASP A 55 -5.414 -3.014 -9.522 1.00 20.23 H new ATOM 855 N ALA A 56 -4.424 -0.217 -9.216 1.00 23.33 N ATOM 856 CA ALA A 56 -3.284 0.680 -9.252 1.00 62.41 C ATOM 857 C ALA A 56 -2.102 0.096 -8.517 1.00 52.31 C ATOM 858 O ALA A 56 -2.270 -0.599 -7.515 1.00 53.51 O ATOM 859 CB ALA A 56 -3.648 2.041 -8.693 1.00 1.33 C ATOM 0 H ALA A 56 -4.490 -0.787 -8.373 1.00 23.33 H new ATOM 0 HA ALA A 56 -2.996 0.807 -10.296 1.00 62.41 H new ATOM 0 HB1 ALA A 56 -2.777 2.695 -8.731 1.00 1.33 H new ATOM 0 HB2 ALA A 56 -4.453 2.474 -9.286 1.00 1.33 H new ATOM 0 HB3 ALA A 56 -3.976 1.934 -7.659 1.00 1.33 H new ATOM 865 N GLU A 57 -0.927 0.378 -9.002 1.00 4.33 N ATOM 866 CA GLU A 57 0.291 -0.104 -8.393 1.00 13.51 C ATOM 867 C GLU A 57 1.267 1.068 -8.274 1.00 32.21 C ATOM 868 O GLU A 57 1.516 1.799 -9.260 1.00 1.12 O ATOM 869 CB GLU A 57 0.891 -1.222 -9.240 1.00 73.31 C ATOM 870 CG GLU A 57 2.140 -1.874 -8.659 1.00 12.22 C ATOM 871 CD GLU A 57 2.955 -2.559 -9.724 1.00 2.21 C ATOM 872 OE1 GLU A 57 2.387 -2.950 -10.763 1.00 10.14 O ATOM 873 OE2 GLU A 57 4.178 -2.600 -9.607 1.00 54.20 O ATOM 0 H GLU A 57 -0.780 0.950 -9.834 1.00 4.33 H new ATOM 0 HA GLU A 57 0.084 -0.508 -7.402 1.00 13.51 H new ATOM 0 HB2 GLU A 57 0.133 -1.992 -9.387 1.00 73.31 H new ATOM 0 HB3 GLU A 57 1.134 -0.821 -10.224 1.00 73.31 H new ATOM 0 HG2 GLU A 57 2.749 -1.118 -8.164 1.00 12.22 H new ATOM 0 HG3 GLU A 57 1.852 -2.599 -7.898 1.00 12.22 H new ATOM 880 N ILE A 58 1.791 1.259 -7.091 1.00 62.20 N ATOM 881 CA ILE A 58 2.686 2.363 -6.792 1.00 15.13 C ATOM 882 C ILE A 58 4.043 1.767 -6.409 1.00 53.52 C ATOM 883 O ILE A 58 4.091 0.850 -5.580 1.00 65.54 O ATOM 884 CB ILE A 58 2.163 3.194 -5.574 1.00 62.25 C ATOM 885 CG1 ILE A 58 0.637 3.478 -5.661 1.00 4.12 C ATOM 886 CG2 ILE A 58 2.936 4.499 -5.443 1.00 23.34 C ATOM 887 CD1 ILE A 58 0.181 4.263 -6.875 1.00 51.24 C ATOM 0 H ILE A 58 1.610 0.649 -6.294 1.00 62.20 H new ATOM 0 HA ILE A 58 2.754 3.017 -7.662 1.00 15.13 H new ATOM 0 HB ILE A 58 2.329 2.588 -4.683 1.00 62.25 H new ATOM 0 HG12 ILE A 58 0.108 2.525 -5.648 1.00 4.12 H new ATOM 0 HG13 ILE A 58 0.336 4.022 -4.766 1.00 4.12 H new ATOM 0 HG21 ILE A 58 2.557 5.062 -4.590 1.00 23.34 H new ATOM 0 HG22 ILE A 58 3.994 4.282 -5.294 1.00 23.34 H new ATOM 0 HG23 ILE A 58 2.811 5.088 -6.351 1.00 23.34 H new ATOM 0 HD11 ILE A 58 -0.899 4.403 -6.833 1.00 51.24 H new ATOM 0 HD12 ILE A 58 0.673 5.236 -6.885 1.00 51.24 H new ATOM 0 HD13 ILE A 58 0.441 3.716 -7.781 1.00 51.24 H new ATOM 899 N VAL A 59 5.123 2.248 -7.014 1.00 71.40 N ATOM 900 CA VAL A 59 6.448 1.710 -6.733 1.00 54.13 C ATOM 901 C VAL A 59 7.421 2.825 -6.322 1.00 30.33 C ATOM 902 O VAL A 59 7.604 3.801 -7.058 1.00 45.42 O ATOM 903 CB VAL A 59 7.044 0.985 -7.982 1.00 60.35 C ATOM 904 CG1 VAL A 59 8.382 0.327 -7.657 1.00 11.24 C ATOM 905 CG2 VAL A 59 6.073 -0.035 -8.551 1.00 73.42 C ATOM 0 H VAL A 59 5.108 3.005 -7.698 1.00 71.40 H new ATOM 0 HA VAL A 59 6.329 0.998 -5.916 1.00 54.13 H new ATOM 0 HB VAL A 59 7.216 1.747 -8.743 1.00 60.35 H new ATOM 0 HG11 VAL A 59 8.769 -0.169 -8.547 1.00 11.24 H new ATOM 0 HG12 VAL A 59 9.091 1.087 -7.327 1.00 11.24 H new ATOM 0 HG13 VAL A 59 8.243 -0.408 -6.864 1.00 11.24 H new ATOM 0 HG21 VAL A 59 6.521 -0.520 -9.418 1.00 73.42 H new ATOM 0 HG22 VAL A 59 5.847 -0.785 -7.793 1.00 73.42 H new ATOM 0 HG23 VAL A 59 5.153 0.466 -8.851 1.00 73.42 H new ATOM 915 N SER A 60 8.022 2.677 -5.170 1.00 33.40 N ATOM 916 CA SER A 60 9.073 3.569 -4.714 1.00 44.44 C ATOM 917 C SER A 60 10.303 2.712 -4.399 1.00 5.11 C ATOM 918 O SER A 60 10.154 1.594 -3.898 1.00 65.04 O ATOM 919 CB SER A 60 8.612 4.346 -3.467 1.00 70.44 C ATOM 920 OG SER A 60 7.409 5.056 -3.729 1.00 74.45 O ATOM 0 H SER A 60 7.799 1.930 -4.512 1.00 33.40 H new ATOM 0 HA SER A 60 9.315 4.303 -5.483 1.00 44.44 H new ATOM 0 HB2 SER A 60 8.458 3.654 -2.639 1.00 70.44 H new ATOM 0 HB3 SER A 60 9.391 5.043 -3.159 1.00 70.44 H new ATOM 0 HG SER A 60 7.355 5.837 -3.139 1.00 74.45 H new ATOM 926 N ALA A 61 11.491 3.205 -4.686 1.00 64.12 N ATOM 927 CA ALA A 61 12.708 2.418 -4.485 1.00 13.51 C ATOM 928 C ALA A 61 13.671 3.120 -3.544 1.00 62.24 C ATOM 929 O ALA A 61 13.591 4.330 -3.369 1.00 31.11 O ATOM 930 CB ALA A 61 13.379 2.133 -5.822 1.00 55.41 C ATOM 0 H ALA A 61 11.648 4.142 -5.058 1.00 64.12 H new ATOM 0 HA ALA A 61 12.425 1.471 -4.024 1.00 13.51 H new ATOM 0 HB1 ALA A 61 14.283 1.547 -5.658 1.00 55.41 H new ATOM 0 HB2 ALA A 61 12.695 1.574 -6.460 1.00 55.41 H new ATOM 0 HB3 ALA A 61 13.640 3.074 -6.306 1.00 55.41 H new ATOM 936 N SER A 62 14.561 2.358 -2.947 1.00 64.52 N ATOM 937 CA SER A 62 15.536 2.875 -2.022 1.00 12.20 C ATOM 938 C SER A 62 16.920 2.796 -2.642 1.00 12.30 C ATOM 939 O SER A 62 17.208 1.891 -3.437 1.00 70.44 O ATOM 940 CB SER A 62 15.497 2.032 -0.756 1.00 1.15 C ATOM 941 OG SER A 62 16.305 2.524 0.297 1.00 62.33 O ATOM 0 H SER A 62 14.626 1.351 -3.094 1.00 64.52 H new ATOM 0 HA SER A 62 15.311 3.915 -1.786 1.00 12.20 H new ATOM 0 HB2 SER A 62 14.466 1.968 -0.408 1.00 1.15 H new ATOM 0 HB3 SER A 62 15.815 1.018 -0.999 1.00 1.15 H new ATOM 0 HG SER A 62 15.978 2.174 1.152 1.00 62.33 H new ATOM 947 N ASP A 63 17.739 3.755 -2.310 1.00 51.31 N ATOM 948 CA ASP A 63 19.126 3.809 -2.745 1.00 51.45 C ATOM 949 C ASP A 63 20.004 3.004 -1.810 1.00 52.12 C ATOM 950 O ASP A 63 21.023 2.446 -2.225 1.00 24.15 O ATOM 951 CB ASP A 63 19.612 5.261 -2.745 1.00 72.01 C ATOM 952 CG ASP A 63 19.463 5.895 -1.370 1.00 34.24 C ATOM 953 OD1 ASP A 63 18.356 6.379 -1.077 1.00 24.00 O ATOM 954 OD2 ASP A 63 20.416 5.846 -0.564 1.00 14.42 O ATOM 0 H ASP A 63 17.466 4.540 -1.719 1.00 51.31 H new ATOM 0 HA ASP A 63 19.188 3.393 -3.750 1.00 51.45 H new ATOM 0 HB2 ASP A 63 20.657 5.297 -3.053 1.00 72.01 H new ATOM 0 HB3 ASP A 63 19.045 5.836 -3.476 1.00 72.01 H new ATOM 959 N SER A 64 19.588 2.912 -0.562 1.00 55.23 N ATOM 960 CA SER A 64 20.395 2.299 0.453 1.00 11.15 C ATOM 961 C SER A 64 20.359 0.778 0.320 1.00 4.02 C ATOM 962 O SER A 64 21.382 0.100 0.443 1.00 11.55 O ATOM 963 CB SER A 64 19.878 2.742 1.808 1.00 13.22 C ATOM 964 OG SER A 64 19.743 4.161 1.861 1.00 12.35 O ATOM 0 H SER A 64 18.687 3.260 -0.233 1.00 55.23 H new ATOM 0 HA SER A 64 21.434 2.609 0.342 1.00 11.15 H new ATOM 0 HB2 SER A 64 18.914 2.273 2.005 1.00 13.22 H new ATOM 0 HB3 SER A 64 20.561 2.408 2.589 1.00 13.22 H new ATOM 0 HG SER A 64 20.135 4.557 1.055 1.00 12.35 H new ATOM 970 N ASP A 65 19.189 0.252 0.082 1.00 54.35 N ATOM 971 CA ASP A 65 19.024 -1.158 -0.166 1.00 74.15 C ATOM 972 C ASP A 65 18.237 -1.352 -1.424 1.00 54.33 C ATOM 973 O ASP A 65 17.125 -0.861 -1.547 1.00 71.23 O ATOM 974 CB ASP A 65 18.399 -1.914 1.028 1.00 64.31 C ATOM 975 CG ASP A 65 17.973 -3.355 0.688 1.00 15.02 C ATOM 976 OD1 ASP A 65 18.575 -3.996 -0.193 1.00 53.42 O ATOM 977 OD2 ASP A 65 16.998 -3.851 1.284 1.00 33.34 O ATOM 0 H ASP A 65 18.321 0.787 0.054 1.00 54.35 H new ATOM 0 HA ASP A 65 20.015 -1.595 -0.292 1.00 74.15 H new ATOM 0 HB2 ASP A 65 19.117 -1.940 1.848 1.00 64.31 H new ATOM 0 HB3 ASP A 65 17.530 -1.361 1.383 1.00 64.31 H new ATOM 982 N SER A 66 18.820 -2.054 -2.349 1.00 44.42 N ATOM 983 CA SER A 66 18.217 -2.332 -3.622 1.00 63.11 C ATOM 984 C SER A 66 16.980 -3.249 -3.487 1.00 43.15 C ATOM 985 O SER A 66 16.162 -3.316 -4.406 1.00 4.45 O ATOM 986 CB SER A 66 19.264 -2.951 -4.567 1.00 74.31 C ATOM 987 OG SER A 66 18.734 -3.200 -5.862 1.00 21.23 O ATOM 0 H SER A 66 19.749 -2.459 -2.239 1.00 44.42 H new ATOM 0 HA SER A 66 17.865 -1.391 -4.045 1.00 63.11 H new ATOM 0 HB2 SER A 66 20.119 -2.280 -4.649 1.00 74.31 H new ATOM 0 HB3 SER A 66 19.630 -3.885 -4.140 1.00 74.31 H new ATOM 0 HG SER A 66 19.430 -3.591 -6.431 1.00 21.23 H new ATOM 993 N THR A 67 16.846 -3.966 -2.373 1.00 71.32 N ATOM 994 CA THR A 67 15.692 -4.834 -2.215 1.00 73.30 C ATOM 995 C THR A 67 14.604 -4.090 -1.443 1.00 31.13 C ATOM 996 O THR A 67 13.419 -4.462 -1.443 1.00 4.22 O ATOM 997 CB THR A 67 16.067 -6.180 -1.512 1.00 22.32 C ATOM 998 OG1 THR A 67 16.238 -6.033 -0.083 1.00 71.25 O ATOM 999 CG2 THR A 67 17.369 -6.685 -2.080 1.00 73.25 C ATOM 0 H THR A 67 17.502 -3.963 -1.592 1.00 71.32 H new ATOM 0 HA THR A 67 15.316 -5.096 -3.204 1.00 73.30 H new ATOM 0 HB THR A 67 15.246 -6.874 -1.691 1.00 22.32 H new ATOM 0 HG1 THR A 67 16.352 -5.085 0.137 1.00 71.25 H new ATOM 0 HG21 THR A 67 17.638 -7.623 -1.595 1.00 73.25 H new ATOM 0 HG22 THR A 67 17.259 -6.849 -3.152 1.00 73.25 H new ATOM 0 HG23 THR A 67 18.153 -5.948 -1.904 1.00 73.25 H new ATOM 1007 N ASP A 68 15.019 -3.018 -0.828 1.00 73.42 N ATOM 1008 CA ASP A 68 14.141 -2.144 -0.061 1.00 3.01 C ATOM 1009 C ASP A 68 13.385 -1.266 -1.020 1.00 60.14 C ATOM 1010 O ASP A 68 13.899 -0.296 -1.544 1.00 4.40 O ATOM 1011 CB ASP A 68 14.957 -1.304 0.937 1.00 65.14 C ATOM 1012 CG ASP A 68 14.154 -0.372 1.834 1.00 10.42 C ATOM 1013 OD1 ASP A 68 13.425 -0.857 2.731 1.00 21.21 O ATOM 1014 OD2 ASP A 68 14.343 0.849 1.751 1.00 2.11 O ATOM 0 H ASP A 68 15.992 -2.712 -0.839 1.00 73.42 H new ATOM 0 HA ASP A 68 13.434 -2.739 0.517 1.00 3.01 H new ATOM 0 HB2 ASP A 68 15.530 -1.982 1.570 1.00 65.14 H new ATOM 0 HB3 ASP A 68 15.677 -0.707 0.377 1.00 65.14 H new ATOM 1019 N SER A 69 12.225 -1.682 -1.342 1.00 35.03 N ATOM 1020 CA SER A 69 11.396 -0.968 -2.227 1.00 2.33 C ATOM 1021 C SER A 69 9.982 -1.181 -1.806 1.00 34.12 C ATOM 1022 O SER A 69 9.662 -2.220 -1.223 1.00 23.22 O ATOM 1023 CB SER A 69 11.651 -1.432 -3.667 1.00 3.24 C ATOM 1024 OG SER A 69 11.679 -2.848 -3.742 1.00 23.02 O ATOM 0 H SER A 69 11.815 -2.547 -0.990 1.00 35.03 H new ATOM 0 HA SER A 69 11.613 0.100 -2.196 1.00 2.33 H new ATOM 0 HB2 SER A 69 10.871 -1.044 -4.322 1.00 3.24 H new ATOM 0 HB3 SER A 69 12.598 -1.026 -4.023 1.00 3.24 H new ATOM 0 HG SER A 69 11.841 -3.123 -4.668 1.00 23.02 H new ATOM 1030 N LEU A 70 9.155 -0.224 -2.032 1.00 51.45 N ATOM 1031 CA LEU A 70 7.795 -0.359 -1.679 1.00 1.35 C ATOM 1032 C LEU A 70 7.029 -0.469 -2.968 1.00 34.13 C ATOM 1033 O LEU A 70 6.970 0.483 -3.748 1.00 31.30 O ATOM 1034 CB LEU A 70 7.341 0.869 -0.833 1.00 11.11 C ATOM 1035 CG LEU A 70 5.984 0.792 -0.058 1.00 21.11 C ATOM 1036 CD1 LEU A 70 4.772 0.675 -0.976 1.00 3.12 C ATOM 1037 CD2 LEU A 70 6.002 -0.341 0.959 1.00 41.01 C ATOM 0 H LEU A 70 9.403 0.666 -2.463 1.00 51.45 H new ATOM 0 HA LEU A 70 7.618 -1.241 -1.064 1.00 1.35 H new ATOM 0 HB2 LEU A 70 8.125 1.076 -0.105 1.00 11.11 H new ATOM 0 HB3 LEU A 70 7.291 1.729 -1.501 1.00 11.11 H new ATOM 0 HG LEU A 70 5.880 1.740 0.470 1.00 21.11 H new ATOM 0 HD11 LEU A 70 3.864 0.626 -0.375 1.00 3.12 H new ATOM 0 HD12 LEU A 70 4.727 1.545 -1.632 1.00 3.12 H new ATOM 0 HD13 LEU A 70 4.858 -0.229 -1.578 1.00 3.12 H new ATOM 0 HD21 LEU A 70 5.048 -0.373 1.484 1.00 41.01 H new ATOM 0 HD22 LEU A 70 6.166 -1.288 0.445 1.00 41.01 H new ATOM 0 HD23 LEU A 70 6.805 -0.173 1.676 1.00 41.01 H new ATOM 1049 N GLN A 71 6.504 -1.623 -3.204 1.00 61.22 N ATOM 1050 CA GLN A 71 5.674 -1.867 -4.338 1.00 63.40 C ATOM 1051 C GLN A 71 4.332 -2.276 -3.814 1.00 61.32 C ATOM 1052 O GLN A 71 4.220 -3.290 -3.125 1.00 13.43 O ATOM 1053 CB GLN A 71 6.274 -2.986 -5.198 1.00 44.32 C ATOM 1054 CG GLN A 71 5.425 -3.377 -6.400 1.00 62.41 C ATOM 1055 CD GLN A 71 6.051 -4.479 -7.234 1.00 33.12 C ATOM 1056 OE1 GLN A 71 6.773 -5.340 -6.726 1.00 5.33 O ATOM 1057 NE2 GLN A 71 5.780 -4.468 -8.508 1.00 53.45 N ATOM 0 H GLN A 71 6.641 -2.438 -2.606 1.00 61.22 H new ATOM 0 HA GLN A 71 5.592 -0.978 -4.963 1.00 63.40 H new ATOM 0 HB2 GLN A 71 7.257 -2.671 -5.549 1.00 44.32 H new ATOM 0 HB3 GLN A 71 6.426 -3.866 -4.573 1.00 44.32 H new ATOM 0 HG2 GLN A 71 4.444 -3.703 -6.054 1.00 62.41 H new ATOM 0 HG3 GLN A 71 5.267 -2.500 -7.027 1.00 62.41 H new ATOM 0 HE21 GLN A 71 5.179 -3.741 -8.895 1.00 53.45 H new ATOM 0 HE22 GLN A 71 6.169 -5.187 -9.118 1.00 53.45 H new ATOM 1066 N VAL A 72 3.334 -1.501 -4.090 1.00 15.44 N ATOM 1067 CA VAL A 72 2.025 -1.818 -3.616 1.00 53.24 C ATOM 1068 C VAL A 72 1.057 -1.883 -4.768 1.00 24.41 C ATOM 1069 O VAL A 72 1.051 -1.034 -5.647 1.00 4.25 O ATOM 1070 CB VAL A 72 1.513 -0.825 -2.525 1.00 72.01 C ATOM 1071 CG1 VAL A 72 1.319 0.552 -3.092 1.00 72.50 C ATOM 1072 CG2 VAL A 72 0.225 -1.318 -1.878 1.00 54.32 C ATOM 0 H VAL A 72 3.399 -0.645 -4.640 1.00 15.44 H new ATOM 0 HA VAL A 72 2.090 -2.796 -3.138 1.00 53.24 H new ATOM 0 HB VAL A 72 2.280 -0.774 -1.752 1.00 72.01 H new ATOM 0 HG11 VAL A 72 0.962 1.221 -2.309 1.00 72.50 H new ATOM 0 HG12 VAL A 72 2.267 0.922 -3.481 1.00 72.50 H new ATOM 0 HG13 VAL A 72 0.586 0.514 -3.898 1.00 72.50 H new ATOM 0 HG21 VAL A 72 -0.101 -0.601 -1.124 1.00 54.32 H new ATOM 0 HG22 VAL A 72 -0.548 -1.421 -2.639 1.00 54.32 H new ATOM 0 HG23 VAL A 72 0.401 -2.285 -1.407 1.00 54.32 H new ATOM 1082 N ALA A 73 0.285 -2.889 -4.754 1.00 40.22 N ATOM 1083 CA ALA A 73 -0.717 -3.113 -5.732 1.00 72.00 C ATOM 1084 C ALA A 73 -2.054 -3.111 -5.047 1.00 60.53 C ATOM 1085 O ALA A 73 -2.319 -3.946 -4.160 1.00 74.33 O ATOM 1086 CB ALA A 73 -0.480 -4.429 -6.460 1.00 61.44 C ATOM 0 H ALA A 73 0.327 -3.614 -4.037 1.00 40.22 H new ATOM 0 HA ALA A 73 -0.686 -2.322 -6.481 1.00 72.00 H new ATOM 0 HB1 ALA A 73 -1.261 -4.579 -7.205 1.00 61.44 H new ATOM 0 HB2 ALA A 73 0.492 -4.402 -6.953 1.00 61.44 H new ATOM 0 HB3 ALA A 73 -0.500 -5.250 -5.743 1.00 61.44 H new ATOM 1092 N MET A 74 -2.898 -2.240 -5.479 1.00 25.13 N ATOM 1093 CA MET A 74 -4.194 -2.032 -4.896 1.00 0.25 C ATOM 1094 C MET A 74 -5.181 -2.443 -5.939 1.00 42.34 C ATOM 1095 O MET A 74 -5.079 -2.010 -7.080 1.00 34.40 O ATOM 1096 CB MET A 74 -4.394 -0.539 -4.583 1.00 31.04 C ATOM 1097 CG MET A 74 -3.314 0.086 -3.705 1.00 64.02 C ATOM 1098 SD MET A 74 -3.554 1.847 -3.430 1.00 31.41 S ATOM 1099 CE MET A 74 -3.311 2.479 -5.072 1.00 65.23 C ATOM 0 H MET A 74 -2.707 -1.629 -6.273 1.00 25.13 H new ATOM 0 HA MET A 74 -4.309 -2.597 -3.971 1.00 0.25 H new ATOM 0 HB2 MET A 74 -4.440 0.011 -5.523 1.00 31.04 H new ATOM 0 HB3 MET A 74 -5.359 -0.412 -4.092 1.00 31.04 H new ATOM 0 HG2 MET A 74 -3.296 -0.426 -2.743 1.00 64.02 H new ATOM 0 HG3 MET A 74 -2.341 -0.073 -4.169 1.00 64.02 H new ATOM 0 HE1 MET A 74 -2.920 3.495 -5.017 1.00 65.23 H new ATOM 0 HE2 MET A 74 -2.601 1.846 -5.604 1.00 65.23 H new ATOM 0 HE3 MET A 74 -4.262 2.485 -5.604 1.00 65.23 H new ATOM 1109 N LYS A 75 -6.091 -3.297 -5.577 1.00 4.02 N ATOM 1110 CA LYS A 75 -7.011 -3.855 -6.537 1.00 20.10 C ATOM 1111 C LYS A 75 -8.430 -3.722 -6.066 1.00 31.14 C ATOM 1112 O LYS A 75 -8.756 -4.022 -4.893 1.00 44.43 O ATOM 1113 CB LYS A 75 -6.611 -5.309 -6.862 1.00 75.20 C ATOM 1114 CG LYS A 75 -6.568 -6.253 -5.663 1.00 4.32 C ATOM 1115 CD LYS A 75 -5.655 -7.452 -5.913 1.00 2.22 C ATOM 1116 CE LYS A 75 -4.188 -7.014 -6.062 1.00 4.55 C ATOM 1117 NZ LYS A 75 -3.660 -6.362 -4.824 1.00 11.40 N ATOM 0 H LYS A 75 -6.221 -3.627 -4.621 1.00 4.02 H new ATOM 0 HA LYS A 75 -6.953 -3.290 -7.467 1.00 20.10 H new ATOM 0 HB2 LYS A 75 -7.314 -5.708 -7.593 1.00 75.20 H new ATOM 0 HB3 LYS A 75 -5.629 -5.302 -7.335 1.00 75.20 H new ATOM 0 HG2 LYS A 75 -6.220 -5.709 -4.785 1.00 4.32 H new ATOM 0 HG3 LYS A 75 -7.576 -6.604 -5.441 1.00 4.32 H new ATOM 0 HD2 LYS A 75 -5.744 -8.158 -5.088 1.00 2.22 H new ATOM 0 HD3 LYS A 75 -5.975 -7.974 -6.815 1.00 2.22 H new ATOM 0 HE2 LYS A 75 -3.575 -7.883 -6.302 1.00 4.55 H new ATOM 0 HE3 LYS A 75 -4.101 -6.322 -6.899 1.00 4.55 H new ATOM 0 HZ1 LYS A 75 -3.205 -5.461 -5.073 1.00 11.40 H new ATOM 0 HZ2 LYS A 75 -4.444 -6.183 -4.164 1.00 11.40 H new ATOM 0 HZ3 LYS A 75 -2.963 -6.988 -4.372 1.00 11.40 H new ATOM 1131 N LYS A 76 -9.248 -3.287 -6.968 1.00 5.41 N ATOM 1132 CA LYS A 76 -10.612 -2.946 -6.716 1.00 44.41 C ATOM 1133 C LYS A 76 -11.488 -4.183 -6.715 1.00 50.14 C ATOM 1134 O LYS A 76 -11.688 -4.826 -7.763 1.00 21.03 O ATOM 1135 CB LYS A 76 -11.095 -2.024 -7.819 1.00 23.15 C ATOM 1136 CG LYS A 76 -12.530 -1.575 -7.698 1.00 12.01 C ATOM 1137 CD LYS A 76 -13.119 -1.293 -9.068 1.00 53.34 C ATOM 1138 CE LYS A 76 -13.486 -2.594 -9.811 1.00 34.10 C ATOM 1139 NZ LYS A 76 -12.329 -3.517 -10.105 1.00 10.22 N ATOM 0 H LYS A 76 -8.974 -3.154 -7.941 1.00 5.41 H new ATOM 0 HA LYS A 76 -10.675 -2.463 -5.741 1.00 44.41 H new ATOM 0 HB2 LYS A 76 -10.455 -1.142 -7.839 1.00 23.15 H new ATOM 0 HB3 LYS A 76 -10.969 -2.531 -8.776 1.00 23.15 H new ATOM 0 HG2 LYS A 76 -13.116 -2.344 -7.196 1.00 12.01 H new ATOM 0 HG3 LYS A 76 -12.585 -0.678 -7.081 1.00 12.01 H new ATOM 0 HD2 LYS A 76 -14.008 -0.672 -8.961 1.00 53.34 H new ATOM 0 HD3 LYS A 76 -12.403 -0.725 -9.662 1.00 53.34 H new ATOM 0 HE2 LYS A 76 -14.221 -3.137 -9.217 1.00 34.10 H new ATOM 0 HE3 LYS A 76 -13.968 -2.332 -10.753 1.00 34.10 H new ATOM 0 HZ1 LYS A 76 -12.650 -4.292 -10.720 1.00 10.22 H new ATOM 0 HZ2 LYS A 76 -11.574 -2.986 -10.583 1.00 10.22 H new ATOM 0 HZ3 LYS A 76 -11.964 -3.911 -9.214 1.00 10.22 H new ATOM 1153 N LEU A 77 -12.053 -4.477 -5.597 1.00 53.42 N ATOM 1154 CA LEU A 77 -12.937 -5.600 -5.482 1.00 61.12 C ATOM 1155 C LEU A 77 -14.374 -5.134 -5.734 1.00 13.33 C ATOM 1156 O LEU A 77 -14.748 -4.025 -5.339 1.00 31.51 O ATOM 1157 CB LEU A 77 -12.791 -6.278 -4.110 1.00 43.23 C ATOM 1158 CG LEU A 77 -11.406 -6.864 -3.789 1.00 72.41 C ATOM 1159 CD1 LEU A 77 -11.415 -7.532 -2.431 1.00 12.12 C ATOM 1160 CD2 LEU A 77 -10.963 -7.854 -4.862 1.00 45.21 C ATOM 0 H LEU A 77 -11.920 -3.951 -4.733 1.00 53.42 H new ATOM 0 HA LEU A 77 -12.675 -6.347 -6.231 1.00 61.12 H new ATOM 0 HB2 LEU A 77 -13.043 -5.550 -3.339 1.00 43.23 H new ATOM 0 HB3 LEU A 77 -13.527 -7.080 -4.043 1.00 43.23 H new ATOM 0 HG LEU A 77 -10.691 -6.041 -3.772 1.00 72.41 H new ATOM 0 HD11 LEU A 77 -10.427 -7.941 -2.220 1.00 12.12 H new ATOM 0 HD12 LEU A 77 -11.675 -6.799 -1.667 1.00 12.12 H new ATOM 0 HD13 LEU A 77 -12.150 -8.337 -2.426 1.00 12.12 H new ATOM 0 HD21 LEU A 77 -9.980 -8.251 -4.607 1.00 45.21 H new ATOM 0 HD22 LEU A 77 -11.681 -8.672 -4.921 1.00 45.21 H new ATOM 0 HD23 LEU A 77 -10.911 -7.347 -5.825 1.00 45.21 H new ATOM 1172 N PRO A 78 -15.213 -5.976 -6.372 1.00 42.10 N ATOM 1173 CA PRO A 78 -16.589 -5.597 -6.786 1.00 33.25 C ATOM 1174 C PRO A 78 -17.596 -5.541 -5.625 1.00 53.33 C ATOM 1175 O PRO A 78 -18.794 -5.504 -5.836 1.00 20.21 O ATOM 1176 CB PRO A 78 -16.966 -6.705 -7.771 1.00 0.25 C ATOM 1177 CG PRO A 78 -16.191 -7.896 -7.321 1.00 61.22 C ATOM 1178 CD PRO A 78 -14.898 -7.374 -6.748 1.00 52.21 C ATOM 0 HA PRO A 78 -16.615 -4.590 -7.202 1.00 33.25 H new ATOM 0 HB2 PRO A 78 -18.038 -6.901 -7.754 1.00 0.25 H new ATOM 0 HB3 PRO A 78 -16.709 -6.429 -8.794 1.00 0.25 H new ATOM 0 HG2 PRO A 78 -16.747 -8.460 -6.572 1.00 61.22 H new ATOM 0 HG3 PRO A 78 -16.001 -8.573 -8.154 1.00 61.22 H new ATOM 0 HD2 PRO A 78 -14.579 -7.958 -5.884 1.00 52.21 H new ATOM 0 HD3 PRO A 78 -14.090 -7.419 -7.479 1.00 52.21 H new ATOM 1186 N ASN A 79 -17.096 -5.513 -4.426 1.00 4.33 N ATOM 1187 CA ASN A 79 -17.929 -5.442 -3.238 1.00 20.53 C ATOM 1188 C ASN A 79 -17.558 -4.215 -2.427 1.00 23.20 C ATOM 1189 O ASN A 79 -17.922 -4.089 -1.274 1.00 0.31 O ATOM 1190 CB ASN A 79 -17.828 -6.741 -2.394 1.00 74.24 C ATOM 1191 CG ASN A 79 -16.408 -7.115 -1.979 1.00 10.22 C ATOM 1192 OD1 ASN A 79 -15.914 -6.697 -0.961 1.00 32.22 O ATOM 1193 ND2 ASN A 79 -15.755 -7.942 -2.770 1.00 15.21 N ATOM 0 H ASN A 79 -16.095 -5.538 -4.231 1.00 4.33 H new ATOM 0 HA ASN A 79 -18.971 -5.351 -3.545 1.00 20.53 H new ATOM 0 HB2 ASN A 79 -18.437 -6.625 -1.497 1.00 74.24 H new ATOM 0 HB3 ASN A 79 -18.255 -7.565 -2.965 1.00 74.24 H new ATOM 0 HD21 ASN A 79 -14.811 -8.242 -2.527 1.00 15.21 H new ATOM 0 HD22 ASN A 79 -16.193 -8.282 -3.626 1.00 15.21 H new ATOM 1200 N ASN A 80 -16.885 -3.271 -3.107 1.00 62.14 N ATOM 1201 CA ASN A 80 -16.401 -2.007 -2.507 1.00 21.45 C ATOM 1202 C ASN A 80 -15.328 -2.251 -1.490 1.00 52.44 C ATOM 1203 O ASN A 80 -15.277 -1.621 -0.443 1.00 12.43 O ATOM 1204 CB ASN A 80 -17.524 -1.114 -1.929 1.00 4.00 C ATOM 1205 CG ASN A 80 -18.356 -0.453 -3.000 1.00 4.40 C ATOM 1206 OD1 ASN A 80 -18.011 0.626 -3.489 1.00 62.13 O ATOM 1207 ND2 ASN A 80 -19.459 -1.062 -3.359 1.00 22.12 N ATOM 0 H ASN A 80 -16.658 -3.361 -4.097 1.00 62.14 H new ATOM 0 HA ASN A 80 -15.970 -1.445 -3.335 1.00 21.45 H new ATOM 0 HB2 ASN A 80 -18.172 -1.718 -1.294 1.00 4.00 H new ATOM 0 HB3 ASN A 80 -17.081 -0.347 -1.294 1.00 4.00 H new ATOM 0 HD21 ASN A 80 -20.065 -0.645 -4.065 1.00 22.12 H new ATOM 0 HD22 ASN A 80 -19.711 -1.953 -2.932 1.00 22.12 H new ATOM 1214 N ALA A 81 -14.447 -3.131 -1.841 1.00 74.31 N ATOM 1215 CA ALA A 81 -13.315 -3.446 -1.042 1.00 2.42 C ATOM 1216 C ALA A 81 -12.104 -3.323 -1.919 1.00 13.32 C ATOM 1217 O ALA A 81 -12.229 -3.314 -3.144 1.00 64.12 O ATOM 1218 CB ALA A 81 -13.423 -4.848 -0.477 1.00 13.50 C ATOM 0 H ALA A 81 -14.499 -3.661 -2.711 1.00 74.31 H new ATOM 0 HA ALA A 81 -13.248 -2.765 -0.194 1.00 2.42 H new ATOM 0 HB1 ALA A 81 -12.544 -5.064 0.131 1.00 13.50 H new ATOM 0 HB2 ALA A 81 -14.318 -4.924 0.140 1.00 13.50 H new ATOM 0 HB3 ALA A 81 -13.484 -5.566 -1.295 1.00 13.50 H new ATOM 1224 N THR A 82 -10.973 -3.199 -1.332 1.00 55.42 N ATOM 1225 CA THR A 82 -9.760 -3.084 -2.059 1.00 22.33 C ATOM 1226 C THR A 82 -8.728 -3.980 -1.399 1.00 32.13 C ATOM 1227 O THR A 82 -8.522 -3.909 -0.189 1.00 44.31 O ATOM 1228 CB THR A 82 -9.274 -1.627 -2.032 1.00 13.55 C ATOM 1229 OG1 THR A 82 -10.355 -0.765 -2.396 1.00 71.21 O ATOM 1230 CG2 THR A 82 -8.129 -1.414 -3.007 1.00 31.01 C ATOM 0 H THR A 82 -10.859 -3.174 -0.319 1.00 55.42 H new ATOM 0 HA THR A 82 -9.912 -3.382 -3.096 1.00 22.33 H new ATOM 0 HB THR A 82 -8.923 -1.401 -1.025 1.00 13.55 H new ATOM 0 HG1 THR A 82 -10.973 -0.678 -1.640 1.00 71.21 H new ATOM 0 HG21 THR A 82 -7.805 -0.374 -2.967 1.00 31.01 H new ATOM 0 HG22 THR A 82 -7.296 -2.064 -2.738 1.00 31.01 H new ATOM 0 HG23 THR A 82 -8.463 -1.651 -4.017 1.00 31.01 H new ATOM 1238 N ARG A 83 -8.107 -4.835 -2.152 1.00 34.23 N ATOM 1239 CA ARG A 83 -7.131 -5.703 -1.590 1.00 63.44 C ATOM 1240 C ARG A 83 -5.739 -5.218 -1.956 1.00 11.31 C ATOM 1241 O ARG A 83 -5.439 -4.936 -3.129 1.00 13.13 O ATOM 1242 CB ARG A 83 -7.379 -7.164 -1.991 1.00 62.00 C ATOM 1243 CG ARG A 83 -6.394 -8.133 -1.371 1.00 54.34 C ATOM 1244 CD ARG A 83 -6.761 -9.578 -1.619 1.00 62.34 C ATOM 1245 NE ARG A 83 -8.010 -9.982 -0.954 1.00 20.20 N ATOM 1246 CZ ARG A 83 -8.767 -11.045 -1.264 1.00 70.10 C ATOM 1247 NH1 ARG A 83 -8.520 -11.762 -2.369 1.00 42.50 N ATOM 1248 NH2 ARG A 83 -9.773 -11.391 -0.455 1.00 53.11 N ATOM 0 H ARG A 83 -8.261 -4.947 -3.154 1.00 34.23 H new ATOM 0 HA ARG A 83 -7.214 -5.676 -0.503 1.00 63.44 H new ATOM 0 HB2 ARG A 83 -8.390 -7.447 -1.697 1.00 62.00 H new ATOM 0 HB3 ARG A 83 -7.327 -7.249 -3.076 1.00 62.00 H new ATOM 0 HG2 ARG A 83 -5.400 -7.941 -1.774 1.00 54.34 H new ATOM 0 HG3 ARG A 83 -6.343 -7.955 -0.297 1.00 54.34 H new ATOM 0 HD2 ARG A 83 -6.859 -9.742 -2.692 1.00 62.34 H new ATOM 0 HD3 ARG A 83 -5.949 -10.217 -1.272 1.00 62.34 H new ATOM 0 HE ARG A 83 -8.331 -9.397 -0.183 1.00 20.20 H new ATOM 0 HH11 ARG A 83 -7.750 -11.501 -2.984 1.00 42.50 H new ATOM 0 HH12 ARG A 83 -9.102 -12.568 -2.594 1.00 42.50 H new ATOM 0 HH21 ARG A 83 -9.959 -10.848 0.389 1.00 53.11 H new ATOM 0 HH22 ARG A 83 -10.355 -12.198 -0.681 1.00 53.11 H new ATOM 1262 N ILE A 84 -4.892 -5.155 -0.979 1.00 44.14 N ATOM 1263 CA ILE A 84 -3.579 -4.592 -1.116 1.00 31.14 C ATOM 1264 C ILE A 84 -2.549 -5.676 -0.999 1.00 71.32 C ATOM 1265 O ILE A 84 -2.656 -6.574 -0.168 1.00 62.33 O ATOM 1266 CB ILE A 84 -3.324 -3.446 -0.048 1.00 61.50 C ATOM 1267 CG1 ILE A 84 -3.739 -2.075 -0.583 1.00 70.14 C ATOM 1268 CG2 ILE A 84 -1.889 -3.399 0.472 1.00 1.01 C ATOM 1269 CD1 ILE A 84 -5.206 -1.919 -0.877 1.00 63.50 C ATOM 0 H ILE A 84 -5.095 -5.500 -0.041 1.00 44.14 H new ATOM 0 HA ILE A 84 -3.500 -4.134 -2.102 1.00 31.14 H new ATOM 0 HB ILE A 84 -3.957 -3.702 0.802 1.00 61.50 H new ATOM 0 HG12 ILE A 84 -3.448 -1.316 0.143 1.00 70.14 H new ATOM 0 HG13 ILE A 84 -3.179 -1.874 -1.496 1.00 70.14 H new ATOM 0 HG21 ILE A 84 -1.791 -2.591 1.197 1.00 1.01 H new ATOM 0 HG22 ILE A 84 -1.644 -4.348 0.950 1.00 1.01 H new ATOM 0 HG23 ILE A 84 -1.206 -3.225 -0.360 1.00 1.01 H new ATOM 0 HD11 ILE A 84 -5.397 -0.913 -1.251 1.00 63.50 H new ATOM 0 HD12 ILE A 84 -5.506 -2.649 -1.629 1.00 63.50 H new ATOM 0 HD13 ILE A 84 -5.779 -2.082 0.036 1.00 63.50 H new ATOM 1281 N SER A 85 -1.637 -5.632 -1.914 1.00 62.21 N ATOM 1282 CA SER A 85 -0.553 -6.546 -1.989 1.00 30.13 C ATOM 1283 C SER A 85 0.729 -5.723 -2.058 1.00 14.20 C ATOM 1284 O SER A 85 0.835 -4.834 -2.904 1.00 74.44 O ATOM 1285 CB SER A 85 -0.733 -7.390 -3.244 1.00 13.24 C ATOM 1286 OG SER A 85 -2.054 -7.972 -3.280 1.00 33.12 O ATOM 0 H SER A 85 -1.629 -4.932 -2.655 1.00 62.21 H new ATOM 0 HA SER A 85 -0.510 -7.211 -1.126 1.00 30.13 H new ATOM 0 HB2 SER A 85 -0.577 -6.773 -4.129 1.00 13.24 H new ATOM 0 HB3 SER A 85 0.019 -8.179 -3.269 1.00 13.24 H new ATOM 0 HG SER A 85 -2.131 -8.560 -4.060 1.00 33.12 H new ATOM 1292 N ILE A 86 1.639 -5.959 -1.163 1.00 51.55 N ATOM 1293 CA ILE A 86 2.888 -5.220 -1.118 1.00 75.23 C ATOM 1294 C ILE A 86 4.034 -6.191 -1.315 1.00 63.01 C ATOM 1295 O ILE A 86 3.984 -7.292 -0.791 1.00 32.14 O ATOM 1296 CB ILE A 86 3.065 -4.497 0.260 1.00 75.42 C ATOM 1297 CG1 ILE A 86 1.860 -3.590 0.545 1.00 65.11 C ATOM 1298 CG2 ILE A 86 4.358 -3.676 0.281 1.00 74.13 C ATOM 1299 CD1 ILE A 86 1.874 -2.935 1.911 1.00 70.34 C ATOM 0 H ILE A 86 1.547 -6.669 -0.436 1.00 51.55 H new ATOM 0 HA ILE A 86 2.878 -4.466 -1.905 1.00 75.23 H new ATOM 0 HB ILE A 86 3.127 -5.258 1.038 1.00 75.42 H new ATOM 0 HG12 ILE A 86 1.820 -2.811 -0.217 1.00 65.11 H new ATOM 0 HG13 ILE A 86 0.948 -4.178 0.448 1.00 65.11 H new ATOM 0 HG21 ILE A 86 4.460 -3.183 1.248 1.00 74.13 H new ATOM 0 HG22 ILE A 86 5.210 -4.336 0.118 1.00 74.13 H new ATOM 0 HG23 ILE A 86 4.325 -2.925 -0.508 1.00 74.13 H new ATOM 0 HD11 ILE A 86 0.986 -2.313 2.025 1.00 70.34 H new ATOM 0 HD12 ILE A 86 1.880 -3.704 2.683 1.00 70.34 H new ATOM 0 HD13 ILE A 86 2.766 -2.316 2.008 1.00 70.34 H new ATOM 1311 N LYS A 87 5.019 -5.813 -2.099 1.00 12.55 N ATOM 1312 CA LYS A 87 6.203 -6.626 -2.278 1.00 1.34 C ATOM 1313 C LYS A 87 7.405 -5.904 -1.716 1.00 33.53 C ATOM 1314 O LYS A 87 7.653 -4.746 -2.043 1.00 12.10 O ATOM 1315 CB LYS A 87 6.445 -7.007 -3.757 1.00 52.32 C ATOM 1316 CG LYS A 87 7.735 -7.823 -4.000 1.00 73.44 C ATOM 1317 CD LYS A 87 7.797 -9.098 -3.143 1.00 74.34 C ATOM 1318 CE LYS A 87 9.135 -9.807 -3.293 1.00 13.02 C ATOM 1319 NZ LYS A 87 9.278 -10.935 -2.345 1.00 61.23 N ATOM 0 H LYS A 87 5.023 -4.940 -2.627 1.00 12.55 H new ATOM 0 HA LYS A 87 6.045 -7.559 -1.736 1.00 1.34 H new ATOM 0 HB2 LYS A 87 5.592 -7.582 -4.116 1.00 52.32 H new ATOM 0 HB3 LYS A 87 6.488 -6.095 -4.353 1.00 52.32 H new ATOM 0 HG2 LYS A 87 7.796 -8.094 -5.054 1.00 73.44 H new ATOM 0 HG3 LYS A 87 8.602 -7.200 -3.781 1.00 73.44 H new ATOM 0 HD2 LYS A 87 7.635 -8.842 -2.096 1.00 74.34 H new ATOM 0 HD3 LYS A 87 6.992 -9.773 -3.434 1.00 74.34 H new ATOM 0 HE2 LYS A 87 9.236 -10.177 -4.313 1.00 13.02 H new ATOM 0 HE3 LYS A 87 9.943 -9.093 -3.131 1.00 13.02 H new ATOM 0 HZ1 LYS A 87 10.229 -11.346 -2.435 1.00 61.23 H new ATOM 0 HZ2 LYS A 87 9.140 -10.591 -1.373 1.00 61.23 H new ATOM 0 HZ3 LYS A 87 8.565 -11.661 -2.560 1.00 61.23 H new ATOM 1333 N TYR A 88 8.098 -6.570 -0.833 1.00 0.43 N ATOM 1334 CA TYR A 88 9.283 -6.049 -0.234 1.00 74.43 C ATOM 1335 C TYR A 88 10.420 -7.020 -0.434 1.00 43.42 C ATOM 1336 O TYR A 88 10.190 -8.216 -0.682 1.00 32.13 O ATOM 1337 CB TYR A 88 9.058 -5.859 1.223 1.00 20.13 C ATOM 1338 CG TYR A 88 9.567 -4.537 1.743 1.00 63.31 C ATOM 1339 CD1 TYR A 88 8.804 -3.391 1.595 1.00 42.12 C ATOM 1340 CD2 TYR A 88 10.790 -4.433 2.388 1.00 2.31 C ATOM 1341 CE1 TYR A 88 9.238 -2.183 2.069 1.00 0.45 C ATOM 1342 CE2 TYR A 88 11.229 -3.222 2.874 1.00 51.23 C ATOM 1343 CZ TYR A 88 10.446 -2.100 2.708 1.00 4.35 C ATOM 1344 OH TYR A 88 10.868 -0.894 3.198 1.00 2.02 O ATOM 0 H TYR A 88 7.846 -7.504 -0.509 1.00 0.43 H new ATOM 0 HA TYR A 88 9.531 -5.094 -0.697 1.00 74.43 H new ATOM 0 HB2 TYR A 88 7.991 -5.936 1.431 1.00 20.13 H new ATOM 0 HB3 TYR A 88 9.547 -6.667 1.767 1.00 20.13 H new ATOM 0 HD1 TYR A 88 7.848 -3.452 1.096 1.00 42.12 H new ATOM 0 HD2 TYR A 88 11.405 -5.312 2.511 1.00 2.31 H new ATOM 0 HE1 TYR A 88 8.631 -1.299 1.940 1.00 0.45 H new ATOM 0 HE2 TYR A 88 12.180 -3.152 3.381 1.00 51.23 H new ATOM 0 HH TYR A 88 11.783 -0.719 2.893 1.00 2.02 H new ATOM 1354 N GLY A 89 11.626 -6.517 -0.364 1.00 73.34 N ATOM 1355 CA GLY A 89 12.786 -7.348 -0.481 1.00 20.31 C ATOM 1356 C GLY A 89 13.167 -8.040 0.822 1.00 21.23 C ATOM 1357 O GLY A 89 12.298 -8.457 1.596 1.00 5.31 O ATOM 0 H GLY A 89 11.826 -5.526 -0.225 1.00 73.34 H new ATOM 0 HA2 GLY A 89 12.607 -8.103 -1.246 1.00 20.31 H new ATOM 0 HA3 GLY A 89 13.626 -6.742 -0.821 1.00 20.31 H new ATOM 1361 N SER A 90 14.457 -8.067 1.093 1.00 22.22 N ATOM 1362 CA SER A 90 15.050 -8.834 2.192 1.00 61.41 C ATOM 1363 C SER A 90 14.620 -8.345 3.586 1.00 13.24 C ATOM 1364 O SER A 90 14.689 -9.087 4.558 1.00 31.11 O ATOM 1365 CB SER A 90 16.566 -8.750 2.062 1.00 14.34 C ATOM 1366 OG SER A 90 16.962 -9.017 0.719 1.00 10.34 O ATOM 0 H SER A 90 15.145 -7.547 0.548 1.00 22.22 H new ATOM 0 HA SER A 90 14.694 -9.861 2.111 1.00 61.41 H new ATOM 0 HB2 SER A 90 16.909 -7.759 2.360 1.00 14.34 H new ATOM 0 HB3 SER A 90 17.036 -9.466 2.736 1.00 14.34 H new ATOM 0 HG SER A 90 17.938 -8.958 0.648 1.00 10.34 H new ATOM 1372 N GLN A 91 14.181 -7.110 3.671 1.00 4.22 N ATOM 1373 CA GLN A 91 13.808 -6.527 4.948 1.00 52.20 C ATOM 1374 C GLN A 91 12.380 -6.869 5.374 1.00 32.53 C ATOM 1375 O GLN A 91 12.051 -6.803 6.555 1.00 33.21 O ATOM 1376 CB GLN A 91 14.042 -5.024 4.927 1.00 33.24 C ATOM 1377 CG GLN A 91 15.514 -4.646 4.995 1.00 13.33 C ATOM 1378 CD GLN A 91 15.739 -3.171 4.805 1.00 43.54 C ATOM 1379 OE1 GLN A 91 15.683 -2.389 5.755 1.00 12.41 O ATOM 1380 NE2 GLN A 91 16.073 -2.777 3.611 1.00 10.34 N ATOM 0 H GLN A 91 14.072 -6.486 2.872 1.00 4.22 H new ATOM 0 HA GLN A 91 14.453 -6.974 5.705 1.00 52.20 H new ATOM 0 HB2 GLN A 91 13.608 -4.608 4.018 1.00 33.24 H new ATOM 0 HB3 GLN A 91 13.517 -4.569 5.767 1.00 33.24 H new ATOM 0 HG2 GLN A 91 15.920 -4.951 5.960 1.00 13.33 H new ATOM 0 HG3 GLN A 91 16.063 -5.196 4.230 1.00 13.33 H new ATOM 0 HE21 GLN A 91 16.110 -3.449 2.844 1.00 10.34 H new ATOM 0 HE22 GLN A 91 16.297 -1.797 3.442 1.00 10.34 H new ATOM 1389 N GLY A 92 11.547 -7.260 4.426 1.00 71.13 N ATOM 1390 CA GLY A 92 10.174 -7.579 4.747 1.00 22.13 C ATOM 1391 C GLY A 92 9.302 -6.339 4.934 1.00 51.32 C ATOM 1392 O GLY A 92 9.641 -5.414 5.667 1.00 50.31 O ATOM 0 H GLY A 92 11.795 -7.362 3.442 1.00 71.13 H new ATOM 0 HA2 GLY A 92 9.754 -8.195 3.952 1.00 22.13 H new ATOM 0 HA3 GLY A 92 10.149 -8.175 5.659 1.00 22.13 H new ATOM 1396 N ASN A 93 8.169 -6.322 4.273 1.00 14.11 N ATOM 1397 CA ASN A 93 7.241 -5.186 4.345 1.00 2.44 C ATOM 1398 C ASN A 93 6.527 -5.059 5.662 1.00 71.50 C ATOM 1399 O ASN A 93 5.912 -4.066 5.891 1.00 74.32 O ATOM 1400 CB ASN A 93 6.200 -5.177 3.203 1.00 23.33 C ATOM 1401 CG ASN A 93 5.434 -6.488 2.994 1.00 73.43 C ATOM 1402 OD1 ASN A 93 4.999 -6.768 1.907 1.00 15.43 O ATOM 1403 ND2 ASN A 93 5.261 -7.296 4.023 1.00 32.34 N ATOM 0 H ASN A 93 7.853 -7.082 3.671 1.00 14.11 H new ATOM 0 HA ASN A 93 7.895 -4.321 4.234 1.00 2.44 H new ATOM 0 HB2 ASN A 93 5.479 -4.383 3.399 1.00 23.33 H new ATOM 0 HB3 ASN A 93 6.709 -4.923 2.273 1.00 23.33 H new ATOM 0 HD21 ASN A 93 4.753 -8.172 3.904 1.00 32.34 H new ATOM 0 HD22 ASN A 93 5.636 -7.044 4.938 1.00 32.34 H new ATOM 1410 N SER A 94 6.643 -6.061 6.521 1.00 42.11 N ATOM 1411 CA SER A 94 5.881 -6.161 7.771 1.00 51.24 C ATOM 1412 C SER A 94 5.837 -4.836 8.580 1.00 0.02 C ATOM 1413 O SER A 94 4.769 -4.417 9.035 1.00 21.20 O ATOM 1414 CB SER A 94 6.489 -7.284 8.588 1.00 1.12 C ATOM 1415 OG SER A 94 6.650 -8.437 7.761 1.00 14.12 O ATOM 0 H SER A 94 7.279 -6.845 6.372 1.00 42.11 H new ATOM 0 HA SER A 94 4.840 -6.372 7.528 1.00 51.24 H new ATOM 0 HB2 SER A 94 7.453 -6.975 8.992 1.00 1.12 H new ATOM 0 HB3 SER A 94 5.848 -7.519 9.438 1.00 1.12 H new ATOM 0 HG SER A 94 7.045 -9.164 8.287 1.00 14.12 H new ATOM 1421 N ILE A 95 6.977 -4.165 8.689 1.00 34.24 N ATOM 1422 CA ILE A 95 7.065 -2.899 9.417 1.00 35.23 C ATOM 1423 C ILE A 95 6.301 -1.799 8.652 1.00 64.04 C ATOM 1424 O ILE A 95 5.485 -1.063 9.222 1.00 2.11 O ATOM 1425 CB ILE A 95 8.563 -2.441 9.650 1.00 32.13 C ATOM 1426 CG1 ILE A 95 9.352 -3.402 10.585 1.00 70.45 C ATOM 1427 CG2 ILE A 95 8.631 -1.021 10.200 1.00 13.25 C ATOM 1428 CD1 ILE A 95 9.679 -4.771 10.004 1.00 3.21 C ATOM 0 H ILE A 95 7.859 -4.476 8.281 1.00 34.24 H new ATOM 0 HA ILE A 95 6.613 -3.058 10.396 1.00 35.23 H new ATOM 0 HB ILE A 95 9.038 -2.471 8.669 1.00 32.13 H new ATOM 0 HG12 ILE A 95 10.285 -2.917 10.870 1.00 70.45 H new ATOM 0 HG13 ILE A 95 8.775 -3.544 11.499 1.00 70.45 H new ATOM 0 HG21 ILE A 95 9.673 -0.738 10.348 1.00 13.25 H new ATOM 0 HG22 ILE A 95 8.166 -0.334 9.493 1.00 13.25 H new ATOM 0 HG23 ILE A 95 8.103 -0.974 11.152 1.00 13.25 H new ATOM 0 HD11 ILE A 95 10.229 -5.357 10.740 1.00 3.21 H new ATOM 0 HD12 ILE A 95 8.754 -5.288 9.747 1.00 3.21 H new ATOM 0 HD13 ILE A 95 10.288 -4.650 9.108 1.00 3.21 H new ATOM 1440 N ARG A 96 6.546 -1.739 7.356 1.00 53.23 N ATOM 1441 CA ARG A 96 5.942 -0.749 6.489 1.00 54.23 C ATOM 1442 C ARG A 96 4.435 -0.954 6.379 1.00 2.51 C ATOM 1443 O ARG A 96 3.669 -0.009 6.547 1.00 63.12 O ATOM 1444 CB ARG A 96 6.561 -0.831 5.095 1.00 35.15 C ATOM 1445 CG ARG A 96 8.069 -0.586 5.017 1.00 23.12 C ATOM 1446 CD ARG A 96 8.467 0.853 5.352 1.00 62.22 C ATOM 1447 NE ARG A 96 8.506 1.119 6.796 1.00 23.02 N ATOM 1448 CZ ARG A 96 7.784 2.030 7.459 1.00 12.21 C ATOM 1449 NH1 ARG A 96 6.846 2.752 6.830 1.00 13.11 N ATOM 1450 NH2 ARG A 96 8.017 2.215 8.746 1.00 33.42 N ATOM 0 H ARG A 96 7.175 -2.381 6.874 1.00 53.23 H new ATOM 0 HA ARG A 96 6.129 0.233 6.924 1.00 54.23 H new ATOM 0 HB2 ARG A 96 6.351 -1.818 4.683 1.00 35.15 H new ATOM 0 HB3 ARG A 96 6.061 -0.105 4.454 1.00 35.15 H new ATOM 0 HG2 ARG A 96 8.576 -1.265 5.703 1.00 23.12 H new ATOM 0 HG3 ARG A 96 8.418 -0.828 4.013 1.00 23.12 H new ATOM 0 HD2 ARG A 96 9.447 1.062 4.924 1.00 62.22 H new ATOM 0 HD3 ARG A 96 7.761 1.538 4.881 1.00 62.22 H new ATOM 0 HE ARG A 96 9.148 0.552 7.349 1.00 23.02 H new ATOM 0 HH11 ARG A 96 6.676 2.610 5.834 1.00 13.11 H new ATOM 0 HH12 ARG A 96 6.303 3.443 7.347 1.00 13.11 H new ATOM 0 HH21 ARG A 96 8.737 1.668 9.218 1.00 33.42 H new ATOM 0 HH22 ARG A 96 7.477 2.905 9.268 1.00 33.42 H new ATOM 1464 N SER A 97 4.032 -2.195 6.127 1.00 14.12 N ATOM 1465 CA SER A 97 2.646 -2.565 5.916 1.00 3.44 C ATOM 1466 C SER A 97 1.770 -2.195 7.097 1.00 33.34 C ATOM 1467 O SER A 97 0.712 -1.620 6.908 1.00 33.42 O ATOM 1468 CB SER A 97 2.549 -4.068 5.659 1.00 63.22 C ATOM 1469 OG SER A 97 3.384 -4.447 4.582 1.00 64.00 O ATOM 0 H SER A 97 4.676 -2.984 6.063 1.00 14.12 H new ATOM 0 HA SER A 97 2.286 -2.010 5.050 1.00 3.44 H new ATOM 0 HB2 SER A 97 2.836 -4.615 6.557 1.00 63.22 H new ATOM 0 HB3 SER A 97 1.516 -4.338 5.437 1.00 63.22 H new ATOM 0 HG SER A 97 3.309 -5.413 4.434 1.00 64.00 H new ATOM 1475 N SER A 98 2.241 -2.477 8.308 1.00 52.31 N ATOM 1476 CA SER A 98 1.463 -2.223 9.504 1.00 54.25 C ATOM 1477 C SER A 98 1.132 -0.731 9.622 1.00 14.13 C ATOM 1478 O SER A 98 -0.022 -0.357 9.849 1.00 1.42 O ATOM 1479 CB SER A 98 2.220 -2.729 10.749 1.00 62.24 C ATOM 1480 OG SER A 98 1.432 -2.623 11.924 1.00 21.54 O ATOM 0 H SER A 98 3.161 -2.882 8.481 1.00 52.31 H new ATOM 0 HA SER A 98 0.522 -2.768 9.436 1.00 54.25 H new ATOM 0 HB2 SER A 98 2.512 -3.769 10.599 1.00 62.24 H new ATOM 0 HB3 SER A 98 3.138 -2.155 10.874 1.00 62.24 H new ATOM 0 HG SER A 98 1.943 -2.954 12.692 1.00 21.54 H new ATOM 1486 N ALA A 99 2.132 0.106 9.441 1.00 34.12 N ATOM 1487 CA ALA A 99 1.937 1.533 9.529 1.00 43.13 C ATOM 1488 C ALA A 99 1.133 2.068 8.351 1.00 14.41 C ATOM 1489 O ALA A 99 0.235 2.879 8.536 1.00 63.35 O ATOM 1490 CB ALA A 99 3.264 2.258 9.673 1.00 14.31 C ATOM 0 H ALA A 99 3.088 -0.180 9.232 1.00 34.12 H new ATOM 0 HA ALA A 99 1.352 1.728 10.428 1.00 43.13 H new ATOM 0 HB1 ALA A 99 3.087 3.332 9.737 1.00 14.31 H new ATOM 0 HB2 ALA A 99 3.768 1.919 10.578 1.00 14.31 H new ATOM 0 HB3 ALA A 99 3.891 2.045 8.807 1.00 14.31 H new ATOM 1496 N LEU A 100 1.458 1.596 7.151 1.00 24.24 N ATOM 1497 CA LEU A 100 0.810 2.036 5.928 1.00 40.21 C ATOM 1498 C LEU A 100 -0.681 1.779 5.998 1.00 55.32 C ATOM 1499 O LEU A 100 -1.483 2.681 5.777 1.00 40.54 O ATOM 1500 CB LEU A 100 1.397 1.283 4.740 1.00 54.21 C ATOM 1501 CG LEU A 100 1.011 1.788 3.351 1.00 0.15 C ATOM 1502 CD1 LEU A 100 1.506 3.212 3.144 1.00 52.11 C ATOM 1503 CD2 LEU A 100 1.567 0.868 2.284 1.00 2.44 C ATOM 0 H LEU A 100 2.183 0.894 7.003 1.00 24.24 H new ATOM 0 HA LEU A 100 0.979 3.106 5.808 1.00 40.21 H new ATOM 0 HB2 LEU A 100 2.484 1.310 4.823 1.00 54.21 H new ATOM 0 HB3 LEU A 100 1.098 0.238 4.818 1.00 54.21 H new ATOM 0 HG LEU A 100 -0.076 1.791 3.272 1.00 0.15 H new ATOM 0 HD11 LEU A 100 1.222 3.555 2.149 1.00 52.11 H new ATOM 0 HD12 LEU A 100 1.060 3.865 3.894 1.00 52.11 H new ATOM 0 HD13 LEU A 100 2.591 3.237 3.240 1.00 52.11 H new ATOM 0 HD21 LEU A 100 1.284 1.240 1.299 1.00 2.44 H new ATOM 0 HD22 LEU A 100 2.654 0.836 2.361 1.00 2.44 H new ATOM 0 HD23 LEU A 100 1.164 -0.135 2.422 1.00 2.44 H new ATOM 1515 N ILE A 101 -1.032 0.560 6.374 1.00 64.31 N ATOM 1516 CA ILE A 101 -2.425 0.139 6.469 1.00 22.45 C ATOM 1517 C ILE A 101 -3.194 1.002 7.466 1.00 34.03 C ATOM 1518 O ILE A 101 -4.284 1.476 7.143 1.00 55.40 O ATOM 1519 CB ILE A 101 -2.550 -1.380 6.836 1.00 64.11 C ATOM 1520 CG1 ILE A 101 -2.037 -2.279 5.688 1.00 72.25 C ATOM 1521 CG2 ILE A 101 -3.969 -1.763 7.242 1.00 64.50 C ATOM 1522 CD1 ILE A 101 -2.760 -2.098 4.362 1.00 4.23 C ATOM 0 H ILE A 101 -0.361 -0.167 6.622 1.00 64.31 H new ATOM 0 HA ILE A 101 -2.870 0.277 5.484 1.00 22.45 H new ATOM 0 HB ILE A 101 -1.915 -1.547 7.706 1.00 64.11 H new ATOM 0 HG12 ILE A 101 -0.976 -2.081 5.537 1.00 72.25 H new ATOM 0 HG13 ILE A 101 -2.126 -3.321 5.995 1.00 72.25 H new ATOM 0 HG21 ILE A 101 -4.003 -2.825 7.487 1.00 64.50 H new ATOM 0 HG22 ILE A 101 -4.268 -1.180 8.113 1.00 64.50 H new ATOM 0 HG23 ILE A 101 -4.651 -1.558 6.417 1.00 64.50 H new ATOM 0 HD11 ILE A 101 -2.331 -2.770 3.619 1.00 4.23 H new ATOM 0 HD12 ILE A 101 -3.818 -2.327 4.490 1.00 4.23 H new ATOM 0 HD13 ILE A 101 -2.650 -1.067 4.025 1.00 4.23 H new ATOM 1534 N GLY A 102 -2.576 1.277 8.624 1.00 24.14 N ATOM 1535 CA GLY A 102 -3.215 2.087 9.656 1.00 13.44 C ATOM 1536 C GLY A 102 -3.623 3.458 9.155 1.00 3.31 C ATOM 1537 O GLY A 102 -4.700 3.979 9.490 1.00 60.15 O ATOM 0 H GLY A 102 -1.640 0.950 8.863 1.00 24.14 H new ATOM 0 HA2 GLY A 102 -4.096 1.564 10.029 1.00 13.44 H new ATOM 0 HA3 GLY A 102 -2.532 2.201 10.498 1.00 13.44 H new ATOM 1541 N ILE A 103 -2.774 4.027 8.343 1.00 50.03 N ATOM 1542 CA ILE A 103 -3.014 5.320 7.760 1.00 72.21 C ATOM 1543 C ILE A 103 -4.132 5.229 6.729 1.00 41.25 C ATOM 1544 O ILE A 103 -5.053 6.039 6.737 1.00 50.54 O ATOM 1545 CB ILE A 103 -1.733 5.854 7.097 1.00 23.32 C ATOM 1546 CG1 ILE A 103 -0.622 5.908 8.136 1.00 33.51 C ATOM 1547 CG2 ILE A 103 -1.971 7.245 6.498 1.00 2.03 C ATOM 1548 CD1 ILE A 103 0.742 6.080 7.549 1.00 22.14 C ATOM 0 H ILE A 103 -1.889 3.603 8.065 1.00 50.03 H new ATOM 0 HA ILE A 103 -3.313 6.008 8.551 1.00 72.21 H new ATOM 0 HB ILE A 103 -1.443 5.186 6.286 1.00 23.32 H new ATOM 0 HG12 ILE A 103 -0.819 6.731 8.823 1.00 33.51 H new ATOM 0 HG13 ILE A 103 -0.642 4.990 8.724 1.00 33.51 H new ATOM 0 HG21 ILE A 103 -1.052 7.604 6.034 1.00 2.03 H new ATOM 0 HG22 ILE A 103 -2.758 7.188 5.746 1.00 2.03 H new ATOM 0 HG23 ILE A 103 -2.272 7.934 7.287 1.00 2.03 H new ATOM 0 HD11 ILE A 103 1.481 6.110 8.349 1.00 22.14 H new ATOM 0 HD12 ILE A 103 0.960 5.244 6.884 1.00 22.14 H new ATOM 0 HD13 ILE A 103 0.780 7.012 6.985 1.00 22.14 H new ATOM 1560 N ILE A 104 -4.065 4.209 5.878 1.00 11.52 N ATOM 1561 CA ILE A 104 -5.039 4.032 4.805 1.00 64.15 C ATOM 1562 C ILE A 104 -6.442 3.840 5.373 1.00 63.12 C ATOM 1563 O ILE A 104 -7.367 4.562 4.999 1.00 35.12 O ATOM 1564 CB ILE A 104 -4.693 2.796 3.922 1.00 11.34 C ATOM 1565 CG1 ILE A 104 -3.296 2.932 3.317 1.00 24.54 C ATOM 1566 CG2 ILE A 104 -5.730 2.623 2.808 1.00 74.40 C ATOM 1567 CD1 ILE A 104 -2.813 1.680 2.611 1.00 2.21 C ATOM 0 H ILE A 104 -3.343 3.489 5.911 1.00 11.52 H new ATOM 0 HA ILE A 104 -5.005 4.934 4.194 1.00 64.15 H new ATOM 0 HB ILE A 104 -4.710 1.913 4.561 1.00 11.34 H new ATOM 0 HG12 ILE A 104 -3.295 3.761 2.609 1.00 24.54 H new ATOM 0 HG13 ILE A 104 -2.591 3.188 4.108 1.00 24.54 H new ATOM 0 HG21 ILE A 104 -5.471 1.755 2.202 1.00 74.40 H new ATOM 0 HG22 ILE A 104 -6.716 2.477 3.248 1.00 74.40 H new ATOM 0 HG23 ILE A 104 -5.741 3.514 2.180 1.00 74.40 H new ATOM 0 HD11 ILE A 104 -1.815 1.852 2.207 1.00 2.21 H new ATOM 0 HD12 ILE A 104 -2.780 0.852 3.320 1.00 2.21 H new ATOM 0 HD13 ILE A 104 -3.496 1.434 1.798 1.00 2.21 H new ATOM 1579 N GLU A 105 -6.574 2.927 6.322 1.00 1.31 N ATOM 1580 CA GLU A 105 -7.866 2.616 6.893 1.00 34.42 C ATOM 1581 C GLU A 105 -8.426 3.809 7.678 1.00 75.45 C ATOM 1582 O GLU A 105 -9.579 4.206 7.493 1.00 22.41 O ATOM 1583 CB GLU A 105 -7.803 1.343 7.769 1.00 24.52 C ATOM 1584 CG GLU A 105 -6.871 1.452 8.970 1.00 75.54 C ATOM 1585 CD GLU A 105 -6.886 0.234 9.857 1.00 41.44 C ATOM 1586 OE1 GLU A 105 -7.795 0.146 10.723 1.00 1.34 O ATOM 1587 OE2 GLU A 105 -6.024 -0.617 9.711 1.00 50.03 O ATOM 0 H GLU A 105 -5.799 2.390 6.711 1.00 1.31 H new ATOM 0 HA GLU A 105 -8.551 2.412 6.070 1.00 34.42 H new ATOM 0 HB2 GLU A 105 -8.807 1.110 8.123 1.00 24.52 H new ATOM 0 HB3 GLU A 105 -7.482 0.506 7.150 1.00 24.52 H new ATOM 0 HG2 GLU A 105 -5.854 1.621 8.616 1.00 75.54 H new ATOM 0 HG3 GLU A 105 -7.152 2.324 9.560 1.00 75.54 H new ATOM 1594 N GLY A 106 -7.584 4.412 8.497 1.00 12.21 N ATOM 1595 CA GLY A 106 -8.006 5.488 9.346 1.00 32.44 C ATOM 1596 C GLY A 106 -8.317 6.765 8.610 1.00 71.54 C ATOM 1597 O GLY A 106 -9.228 7.476 9.001 1.00 3.22 O ATOM 0 H GLY A 106 -6.598 4.165 8.585 1.00 12.21 H new ATOM 0 HA2 GLY A 106 -8.892 5.175 9.899 1.00 32.44 H new ATOM 0 HA3 GLY A 106 -7.225 5.685 10.080 1.00 32.44 H new ATOM 1601 N ASN A 107 -7.581 7.050 7.543 1.00 21.20 N ATOM 1602 CA ASN A 107 -7.802 8.283 6.762 1.00 64.43 C ATOM 1603 C ASN A 107 -9.183 8.243 6.123 1.00 41.24 C ATOM 1604 O ASN A 107 -9.909 9.236 6.107 1.00 24.34 O ATOM 1605 CB ASN A 107 -6.731 8.442 5.671 1.00 65.41 C ATOM 1606 CG ASN A 107 -6.846 9.749 4.895 1.00 23.13 C ATOM 1607 OD1 ASN A 107 -7.264 10.767 5.420 1.00 74.43 O ATOM 1608 ND2 ASN A 107 -6.474 9.722 3.637 1.00 41.30 N ATOM 0 H ASN A 107 -6.829 6.456 7.192 1.00 21.20 H new ATOM 0 HA ASN A 107 -7.734 9.136 7.437 1.00 64.43 H new ATOM 0 HB2 ASN A 107 -5.744 8.387 6.130 1.00 65.41 H new ATOM 0 HB3 ASN A 107 -6.806 7.607 4.975 1.00 65.41 H new ATOM 0 HD21 ASN A 107 -6.530 10.568 3.070 1.00 41.30 H new ATOM 0 HD22 ASN A 107 -6.128 8.855 3.226 1.00 41.30 H new ATOM 1615 N ILE A 108 -9.557 7.071 5.647 1.00 55.12 N ATOM 1616 CA ILE A 108 -10.867 6.868 5.058 1.00 3.11 C ATOM 1617 C ILE A 108 -11.938 7.032 6.138 1.00 34.13 C ATOM 1618 O ILE A 108 -12.945 7.698 5.927 1.00 52.04 O ATOM 1619 CB ILE A 108 -10.971 5.465 4.404 1.00 73.31 C ATOM 1620 CG1 ILE A 108 -9.913 5.332 3.301 1.00 31.43 C ATOM 1621 CG2 ILE A 108 -12.373 5.238 3.831 1.00 52.44 C ATOM 1622 CD1 ILE A 108 -9.756 3.935 2.756 1.00 54.21 C ATOM 0 H ILE A 108 -8.967 6.239 5.657 1.00 55.12 H new ATOM 0 HA ILE A 108 -11.021 7.612 4.276 1.00 3.11 H new ATOM 0 HB ILE A 108 -10.791 4.706 5.165 1.00 73.31 H new ATOM 0 HG12 ILE A 108 -10.173 6.002 2.481 1.00 31.43 H new ATOM 0 HG13 ILE A 108 -8.952 5.666 3.693 1.00 31.43 H new ATOM 0 HG21 ILE A 108 -12.425 4.248 3.377 1.00 52.44 H new ATOM 0 HG22 ILE A 108 -13.109 5.309 4.632 1.00 52.44 H new ATOM 0 HG23 ILE A 108 -12.584 5.995 3.076 1.00 52.44 H new ATOM 0 HD11 ILE A 108 -8.989 3.931 1.982 1.00 54.21 H new ATOM 0 HD12 ILE A 108 -9.463 3.261 3.561 1.00 54.21 H new ATOM 0 HD13 ILE A 108 -10.703 3.602 2.331 1.00 54.21 H new ATOM 1634 N ARG A 109 -11.678 6.463 7.311 1.00 12.33 N ATOM 1635 CA ARG A 109 -12.606 6.554 8.432 1.00 64.34 C ATOM 1636 C ARG A 109 -12.765 7.981 8.917 1.00 75.53 C ATOM 1637 O ARG A 109 -13.841 8.369 9.340 1.00 64.22 O ATOM 1638 CB ARG A 109 -12.218 5.627 9.579 1.00 43.24 C ATOM 1639 CG ARG A 109 -12.144 4.193 9.142 1.00 21.42 C ATOM 1640 CD ARG A 109 -12.186 3.218 10.296 1.00 12.50 C ATOM 1641 NE ARG A 109 -10.956 3.218 11.077 1.00 61.21 N ATOM 1642 CZ ARG A 109 -10.049 2.229 11.012 1.00 23.42 C ATOM 1643 NH1 ARG A 109 -10.175 1.254 10.117 1.00 44.05 N ATOM 1644 NH2 ARG A 109 -8.994 2.226 11.808 1.00 64.12 N ATOM 0 H ARG A 109 -10.830 5.933 7.510 1.00 12.33 H new ATOM 0 HA ARG A 109 -13.574 6.220 8.058 1.00 64.34 H new ATOM 0 HB2 ARG A 109 -11.253 5.933 9.982 1.00 43.24 H new ATOM 0 HB3 ARG A 109 -12.945 5.723 10.385 1.00 43.24 H new ATOM 0 HG2 ARG A 109 -12.973 3.982 8.466 1.00 21.42 H new ATOM 0 HG3 ARG A 109 -11.225 4.039 8.577 1.00 21.42 H new ATOM 0 HD2 ARG A 109 -13.025 3.467 10.946 1.00 12.50 H new ATOM 0 HD3 ARG A 109 -12.368 2.214 9.912 1.00 12.50 H new ATOM 0 HE ARG A 109 -10.775 4.004 11.701 1.00 61.21 H new ATOM 0 HH11 ARG A 109 -10.965 1.253 9.472 1.00 44.05 H new ATOM 0 HH12 ARG A 109 -9.481 0.507 10.075 1.00 44.05 H new ATOM 0 HH21 ARG A 109 -8.861 2.980 12.482 1.00 64.12 H new ATOM 0 HH22 ARG A 109 -8.313 1.469 11.749 1.00 64.12 H new ATOM 1658 N TYR A 110 -11.687 8.741 8.857 1.00 63.04 N ATOM 1659 CA TYR A 110 -11.688 10.150 9.226 1.00 54.15 C ATOM 1660 C TYR A 110 -12.692 10.886 8.335 1.00 32.43 C ATOM 1661 O TYR A 110 -13.575 11.578 8.826 1.00 10.00 O ATOM 1662 CB TYR A 110 -10.270 10.721 9.041 1.00 42.02 C ATOM 1663 CG TYR A 110 -10.047 12.127 9.572 1.00 74.44 C ATOM 1664 CD1 TYR A 110 -9.684 12.329 10.895 1.00 12.30 C ATOM 1665 CD2 TYR A 110 -10.172 13.242 8.746 1.00 53.41 C ATOM 1666 CE1 TYR A 110 -9.455 13.598 11.388 1.00 42.23 C ATOM 1667 CE2 TYR A 110 -9.938 14.518 9.233 1.00 10.23 C ATOM 1668 CZ TYR A 110 -9.581 14.689 10.555 1.00 71.40 C ATOM 1669 OH TYR A 110 -9.336 15.955 11.049 1.00 64.11 O ATOM 0 H TYR A 110 -10.777 8.398 8.549 1.00 63.04 H new ATOM 0 HA TYR A 110 -11.978 10.276 10.269 1.00 54.15 H new ATOM 0 HB2 TYR A 110 -9.563 10.052 9.531 1.00 42.02 H new ATOM 0 HB3 TYR A 110 -10.032 10.713 7.977 1.00 42.02 H new ATOM 0 HD1 TYR A 110 -9.579 11.478 11.552 1.00 12.30 H new ATOM 0 HD2 TYR A 110 -10.455 13.110 7.712 1.00 53.41 H new ATOM 0 HE1 TYR A 110 -9.178 13.735 12.423 1.00 42.23 H new ATOM 0 HE2 TYR A 110 -10.034 15.374 8.582 1.00 10.23 H new ATOM 0 HH TYR A 110 -9.467 16.615 10.337 1.00 64.11 H new ATOM 1679 N ALA A 111 -12.594 10.631 7.032 1.00 54.25 N ATOM 1680 CA ALA A 111 -13.489 11.221 6.027 1.00 13.01 C ATOM 1681 C ALA A 111 -14.935 10.723 6.198 1.00 74.04 C ATOM 1682 O ALA A 111 -15.878 11.336 5.720 1.00 13.14 O ATOM 1683 CB ALA A 111 -12.980 10.919 4.625 1.00 22.14 C ATOM 0 H ALA A 111 -11.890 10.007 6.637 1.00 54.25 H new ATOM 0 HA ALA A 111 -13.494 12.301 6.175 1.00 13.01 H new ATOM 0 HB1 ALA A 111 -13.653 11.362 3.890 1.00 22.14 H new ATOM 0 HB2 ALA A 111 -11.981 11.339 4.502 1.00 22.14 H new ATOM 0 HB3 ALA A 111 -12.941 9.840 4.477 1.00 22.14 H new ATOM 1689 N ASN A 112 -15.089 9.565 6.824 1.00 54.01 N ATOM 1690 CA ASN A 112 -16.417 9.004 7.090 1.00 42.41 C ATOM 1691 C ASN A 112 -17.092 9.736 8.237 1.00 24.12 C ATOM 1692 O ASN A 112 -18.311 9.679 8.384 1.00 43.03 O ATOM 1693 CB ASN A 112 -16.364 7.493 7.414 1.00 34.53 C ATOM 1694 CG ASN A 112 -15.899 6.600 6.266 1.00 32.54 C ATOM 1695 OD1 ASN A 112 -15.306 5.546 6.492 1.00 4.14 O ATOM 1696 ND2 ASN A 112 -16.167 6.993 5.041 1.00 75.43 N ATOM 0 H ASN A 112 -14.315 8.992 7.159 1.00 54.01 H new ATOM 0 HA ASN A 112 -16.996 9.135 6.176 1.00 42.41 H new ATOM 0 HB2 ASN A 112 -15.698 7.343 8.263 1.00 34.53 H new ATOM 0 HB3 ASN A 112 -17.357 7.169 7.726 1.00 34.53 H new ATOM 0 HD21 ASN A 112 -15.882 6.419 4.247 1.00 75.43 H new ATOM 0 HD22 ASN A 112 -16.660 7.872 4.884 1.00 75.43 H new ATOM 1703 N THR A 113 -16.304 10.392 9.058 1.00 35.51 N ATOM 1704 CA THR A 113 -16.833 11.118 10.180 1.00 70.14 C ATOM 1705 C THR A 113 -16.870 12.631 9.929 1.00 1.23 C ATOM 1706 O THR A 113 -17.854 13.295 10.276 1.00 12.43 O ATOM 1707 CB THR A 113 -16.066 10.781 11.489 1.00 73.43 C ATOM 1708 OG1 THR A 113 -14.640 10.824 11.272 1.00 35.22 O ATOM 1709 CG2 THR A 113 -16.457 9.401 12.001 1.00 30.24 C ATOM 0 H THR A 113 -15.289 10.435 8.965 1.00 35.51 H new ATOM 0 HA THR A 113 -17.866 10.792 10.306 1.00 70.14 H new ATOM 0 HB THR A 113 -16.336 11.529 12.234 1.00 73.43 H new ATOM 0 HG1 THR A 113 -14.453 11.259 10.414 1.00 35.22 H new ATOM 0 HG21 THR A 113 -15.909 9.184 12.918 1.00 30.24 H new ATOM 0 HG22 THR A 113 -17.528 9.378 12.204 1.00 30.24 H new ATOM 0 HG23 THR A 113 -16.215 8.651 11.248 1.00 30.24 H new ATOM 1717 N HIS A 114 -15.815 13.150 9.314 1.00 55.44 N ATOM 1718 CA HIS A 114 -15.659 14.566 9.025 1.00 70.01 C ATOM 1719 C HIS A 114 -14.424 14.790 8.134 1.00 64.13 C ATOM 1720 O HIS A 114 -13.292 14.902 8.667 1.00 71.21 O ATOM 1721 CB HIS A 114 -15.629 15.452 10.326 1.00 61.41 C ATOM 1722 CG HIS A 114 -14.701 14.985 11.434 1.00 12.05 C ATOM 1723 ND1 HIS A 114 -13.362 14.809 11.278 1.00 72.33 N ATOM 1724 CD2 HIS A 114 -14.970 14.663 12.725 1.00 20.33 C ATOM 1725 CE1 HIS A 114 -12.847 14.402 12.431 1.00 71.43 C ATOM 1726 NE2 HIS A 114 -13.783 14.294 13.357 1.00 11.41 N ATOM 0 H HIS A 114 -15.028 12.584 8.996 1.00 55.44 H new ATOM 0 HA HIS A 114 -16.540 14.894 8.474 1.00 70.01 H new ATOM 0 HB2 HIS A 114 -15.343 16.465 10.044 1.00 61.41 H new ATOM 0 HB3 HIS A 114 -16.641 15.506 10.727 1.00 61.41 H new ATOM 0 HD1 HIS A 114 -12.839 14.964 10.416 1.00 72.33 H new ATOM 0 HD2 HIS A 114 -15.945 14.688 13.188 1.00 20.33 H new ATOM 0 HE1 HIS A 114 -11.801 14.187 12.591 1.00 71.43 H new TER 1734 HIS A 114