USER MOD reduce.3.24.130724 H: found=0, std=0, add=836, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 836 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 59 SER OG : rot -151:sc= 0.515 USER MOD Set 1.2: A 97 THR OG1 : rot -77:sc= 0.0999 USER MOD Set 2.1: A 42 ASN : amide:sc= 0.25 K(o=0.78,f=-1) USER MOD Set 2.2: A 45 LYS NZ :NH3+ -149:sc= 0.526 (180deg=0.326) USER MOD Set 3.1: A 20 CYS SG : rot 26:sc= -1.38 USER MOD Set 3.2: A 27 TYR OH : rot 30:sc= 0 USER MOD Set 3.3: A 51 GLN : amide:sc= 0.0706 X(o=-1.3,f=-1.3) USER MOD Set 4.1: A 16 ASN : amide:sc= 0.704 K(o=-4.5,f=-8.6) USER MOD Set 4.2: A 18 ASN : amide:sc= 0.246 K(o=-4.5,f=-8) USER MOD Set 4.3: A 53 CYS SG : rot -146:sc= -6.97! USER MOD Set 4.4: A 58 THR OG1 : rot 69:sc= 0.559 USER MOD Set 4.5: A 79 TYR OH : rot 142:sc= 0.931 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 169:sc= 1.13 (180deg=0.839) USER MOD Single : A 2 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 4 HIS : no HE2:sc= 0.23 K(o=0.23,f=-1.6) USER MOD Single : A 5 HIS : no HD1:sc= 0 X(o=0,f=-0.0067) USER MOD Single : A 6 HIS : no HD1:sc= 0 X(o=0,f=-0.0076) USER MOD Single : A 7 HIS :FLIP no HD1:sc= -0.0183 F(o=-0.63,f=-0.018) USER MOD Single : A 9 SER OG : rot 39:sc= 0.401 USER MOD Single : A 13 GLN :FLIP amide:sc= -0.19 F(o=-1.5!,f=-0.19) USER MOD Single : A 15 GLN : amide:sc= -0.436 X(o=-0.44,f=0) USER MOD Single : A 17 ASN : amide:sc= 0 X(o=0,f=-0.35) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 ASN : amide:sc= -0.0587 X(o=-0.059,f=-0.49) USER MOD Single : A 23 LYS NZ :NH3+ -139:sc= -0.631 (180deg=-2.76!) USER MOD Single : A 24 THR OG1 : rot 45:sc= 0.541 USER MOD Single : A 28 THR OG1 : rot 170:sc= -0.018 USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot -39:sc= 0.59 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 180:sc= -0.0208 USER MOD Single : A 38 GLN : amide:sc= -0.0521 K(o=-0.052,f=-1.2) USER MOD Single : A 39 LYS NZ :NH3+ 175:sc= -1.12 (180deg=-1.19) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 159:sc= 0.556 (180deg=0.341) USER MOD Single : A 50 LYS NZ :NH3+ 151:sc= 0.734 (180deg=-0.377) USER MOD Single : A 54 LYS NZ :NH3+ -172:sc=-0.00174 (180deg=-0.0959) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 61 THR OG1 : rot -150:sc= -1.27 USER MOD Single : A 64 THR OG1 : rot 133:sc= 0.32 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ 168:sc= -0.0347 (180deg=-0.197) USER MOD Single : A 70 LYS NZ :NH3+ 147:sc= 0.948 (180deg=0.191) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 ASN : amide:sc= -0.387 K(o=-0.39,f=-2.6!) USER MOD Single : A 88 ASN : amide:sc= -0.962 K(o=-0.96,f=-2.9!) USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 GLN : amide:sc= 0 X(o=0,f=-0.33) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -21.646 -11.418 10.483 1.00 32.11 N ATOM 2 CA MET A 1 -21.528 -12.464 9.451 1.00 4.14 C ATOM 3 C MET A 1 -22.911 -13.092 9.180 1.00 35.43 C ATOM 4 O MET A 1 -23.329 -14.018 9.884 1.00 35.13 O ATOM 5 CB MET A 1 -20.473 -13.525 9.885 1.00 70.30 C ATOM 6 CG MET A 1 -19.021 -13.018 9.838 1.00 2.34 C ATOM 7 SD MET A 1 -18.737 -11.549 10.853 1.00 1.42 S ATOM 8 CE MET A 1 -17.072 -11.095 10.364 1.00 10.24 C ATOM 0 H1 MET A 1 -20.697 -11.130 10.795 1.00 32.11 H new ATOM 0 H2 MET A 1 -22.145 -10.596 10.088 1.00 32.11 H new ATOM 0 H3 MET A 1 -22.179 -11.790 11.295 1.00 32.11 H new ATOM 0 HA MET A 1 -21.180 -12.024 8.517 1.00 4.14 H new ATOM 0 HB2 MET A 1 -20.700 -13.854 10.899 1.00 70.30 H new ATOM 0 HB3 MET A 1 -20.563 -14.398 9.239 1.00 70.30 H new ATOM 0 HG2 MET A 1 -18.355 -13.814 10.171 1.00 2.34 H new ATOM 0 HG3 MET A 1 -18.756 -12.793 8.805 1.00 2.34 H new ATOM 0 HE1 MET A 1 -16.763 -10.204 10.910 1.00 10.24 H new ATOM 0 HE2 MET A 1 -16.390 -11.914 10.591 1.00 10.24 H new ATOM 0 HE3 MET A 1 -17.050 -10.890 9.294 1.00 10.24 H new ATOM 20 N HIS A 2 -23.637 -12.537 8.178 1.00 21.43 N ATOM 21 CA HIS A 2 -24.949 -13.051 7.722 1.00 65.11 C ATOM 22 C HIS A 2 -25.123 -12.796 6.216 1.00 34.03 C ATOM 23 O HIS A 2 -25.255 -13.743 5.440 1.00 34.43 O ATOM 24 CB HIS A 2 -26.138 -12.423 8.521 1.00 44.50 C ATOM 25 CG HIS A 2 -26.328 -12.986 9.912 1.00 14.42 C ATOM 26 ND1 HIS A 2 -25.915 -12.343 11.059 1.00 23.25 N ATOM 27 CD2 HIS A 2 -26.879 -14.157 10.328 1.00 43.21 C ATOM 28 CE1 HIS A 2 -26.198 -13.089 12.108 1.00 55.55 C ATOM 29 NE2 HIS A 2 -26.782 -14.194 11.693 1.00 25.42 N ATOM 0 H HIS A 2 -23.325 -11.715 7.661 1.00 21.43 H new ATOM 0 HA HIS A 2 -24.964 -14.124 7.911 1.00 65.11 H new ATOM 0 HB2 HIS A 2 -25.980 -11.347 8.597 1.00 44.50 H new ATOM 0 HB3 HIS A 2 -27.058 -12.571 7.955 1.00 44.50 H new ATOM 0 HD2 HIS A 2 -27.314 -14.918 9.697 1.00 43.21 H new ATOM 0 HE1 HIS A 2 -25.986 -12.836 13.136 1.00 55.55 H new ATOM 0 HE2 HIS A 2 -27.109 -14.953 12.291 1.00 25.42 H new ATOM 38 N HIS A 3 -25.091 -11.511 5.815 1.00 53.32 N ATOM 39 CA HIS A 3 -25.376 -11.077 4.421 1.00 1.22 C ATOM 40 C HIS A 3 -24.103 -11.164 3.529 1.00 64.45 C ATOM 41 O HIS A 3 -23.737 -10.194 2.842 1.00 31.14 O ATOM 42 CB HIS A 3 -25.959 -9.627 4.423 1.00 44.54 C ATOM 43 CG HIS A 3 -27.324 -9.475 5.054 1.00 44.32 C ATOM 44 ND1 HIS A 3 -27.536 -8.855 6.265 1.00 51.52 N ATOM 45 CD2 HIS A 3 -28.553 -9.828 4.608 1.00 5.51 C ATOM 46 CE1 HIS A 3 -28.826 -8.838 6.531 1.00 34.34 C ATOM 47 NE2 HIS A 3 -29.464 -9.424 5.542 1.00 30.52 N ATOM 0 H HIS A 3 -24.867 -10.739 6.443 1.00 53.32 H new ATOM 0 HA HIS A 3 -26.117 -11.753 3.995 1.00 1.22 H new ATOM 0 HB2 HIS A 3 -25.261 -8.974 4.947 1.00 44.54 H new ATOM 0 HB3 HIS A 3 -26.013 -9.274 3.393 1.00 44.54 H new ATOM 0 HD2 HIS A 3 -28.773 -10.337 3.681 1.00 5.51 H new ATOM 0 HE1 HIS A 3 -29.283 -8.414 7.413 1.00 34.34 H new ATOM 0 HE2 HIS A 3 -30.474 -9.555 5.482 1.00 30.52 H new ATOM 56 N HIS A 4 -23.449 -12.347 3.523 1.00 61.43 N ATOM 57 CA HIS A 4 -22.240 -12.604 2.716 1.00 72.14 C ATOM 58 C HIS A 4 -22.645 -12.951 1.261 1.00 41.52 C ATOM 59 O HIS A 4 -23.524 -13.794 1.050 1.00 21.23 O ATOM 60 CB HIS A 4 -21.388 -13.735 3.362 1.00 70.32 C ATOM 61 CG HIS A 4 -22.089 -15.072 3.475 1.00 14.51 C ATOM 62 ND1 HIS A 4 -23.016 -15.362 4.460 1.00 43.20 N ATOM 63 CD2 HIS A 4 -22.020 -16.184 2.701 1.00 51.24 C ATOM 64 CE1 HIS A 4 -23.475 -16.584 4.280 1.00 22.04 C ATOM 65 NE2 HIS A 4 -22.891 -17.096 3.221 1.00 32.21 N ATOM 0 H HIS A 4 -23.746 -13.149 4.078 1.00 61.43 H new ATOM 0 HA HIS A 4 -21.623 -11.706 2.690 1.00 72.14 H new ATOM 0 HB2 HIS A 4 -20.479 -13.866 2.775 1.00 70.32 H new ATOM 0 HB3 HIS A 4 -21.082 -13.416 4.358 1.00 70.32 H new ATOM 0 HD1 HIS A 4 -23.300 -14.729 5.208 1.00 43.20 H new ATOM 0 HD2 HIS A 4 -21.392 -16.322 1.833 1.00 51.24 H new ATOM 0 HE1 HIS A 4 -24.208 -17.081 4.899 1.00 22.04 H new ATOM 74 N HIS A 5 -21.995 -12.273 0.281 1.00 3.12 N ATOM 75 CA HIS A 5 -22.284 -12.373 -1.182 1.00 41.42 C ATOM 76 C HIS A 5 -23.617 -11.687 -1.564 1.00 45.34 C ATOM 77 O HIS A 5 -24.124 -11.891 -2.674 1.00 24.21 O ATOM 78 CB HIS A 5 -22.255 -13.843 -1.717 1.00 50.44 C ATOM 79 CG HIS A 5 -20.928 -14.540 -1.610 1.00 4.11 C ATOM 80 ND1 HIS A 5 -20.211 -14.971 -2.704 1.00 43.21 N ATOM 81 CD2 HIS A 5 -20.220 -14.928 -0.530 1.00 60.22 C ATOM 82 CE1 HIS A 5 -19.130 -15.591 -2.296 1.00 1.23 C ATOM 83 NE2 HIS A 5 -19.111 -15.580 -0.977 1.00 61.43 N ATOM 0 H HIS A 5 -21.235 -11.624 0.486 1.00 3.12 H new ATOM 0 HA HIS A 5 -21.471 -11.836 -1.670 1.00 41.42 H new ATOM 0 HB2 HIS A 5 -22.998 -14.425 -1.171 1.00 50.44 H new ATOM 0 HB3 HIS A 5 -22.560 -13.837 -2.763 1.00 50.44 H new ATOM 0 HD2 HIS A 5 -20.484 -14.753 0.502 1.00 60.22 H new ATOM 0 HE1 HIS A 5 -18.380 -16.036 -2.933 1.00 1.23 H new ATOM 0 HE2 HIS A 5 -18.386 -15.992 -0.389 1.00 61.43 H new ATOM 92 N HIS A 6 -24.184 -10.879 -0.645 1.00 4.24 N ATOM 93 CA HIS A 6 -25.348 -10.015 -0.947 1.00 40.01 C ATOM 94 C HIS A 6 -24.874 -8.839 -1.828 1.00 72.03 C ATOM 95 O HIS A 6 -25.540 -8.465 -2.791 1.00 2.21 O ATOM 96 CB HIS A 6 -26.008 -9.531 0.370 1.00 74.22 C ATOM 97 CG HIS A 6 -27.243 -8.686 0.208 1.00 43.04 C ATOM 98 ND1 HIS A 6 -27.469 -7.535 0.928 1.00 4.50 N ATOM 99 CD2 HIS A 6 -28.342 -8.861 -0.566 1.00 60.41 C ATOM 100 CE1 HIS A 6 -28.647 -7.044 0.605 1.00 71.03 C ATOM 101 NE2 HIS A 6 -29.198 -7.829 -0.298 1.00 51.13 N ATOM 0 H HIS A 6 -23.854 -10.806 0.317 1.00 4.24 H new ATOM 0 HA HIS A 6 -26.107 -10.573 -1.496 1.00 40.01 H new ATOM 0 HB2 HIS A 6 -26.264 -10.405 0.969 1.00 74.22 H new ATOM 0 HB3 HIS A 6 -25.271 -8.961 0.936 1.00 74.22 H new ATOM 0 HD2 HIS A 6 -28.510 -9.667 -1.265 1.00 60.41 H new ATOM 0 HE1 HIS A 6 -29.088 -6.147 1.013 1.00 71.03 H new ATOM 0 HE2 HIS A 6 -30.113 -7.690 -0.727 1.00 51.13 H new ATOM 110 N HIS A 7 -23.699 -8.289 -1.469 1.00 31.13 N ATOM 111 CA HIS A 7 -22.941 -7.341 -2.306 1.00 10.04 C ATOM 112 C HIS A 7 -21.546 -7.144 -1.695 1.00 23.30 C ATOM 113 O HIS A 7 -21.369 -7.310 -0.477 1.00 31.24 O ATOM 114 CB HIS A 7 -23.673 -5.975 -2.469 1.00 54.43 C ATOM 115 CG HIS A 7 -23.946 -5.246 -1.173 1.00 53.41 C ATOM 116 ND1 HIS A 7 -23.163 -4.433 -0.422 1.00 23.24 N flip ATOM 117 CD2 HIS A 7 -25.151 -5.312 -0.513 1.00 24.32 C flip ATOM 118 CE1 HIS A 7 -23.898 -4.031 0.651 1.00 64.42 C flip ATOM 119 NE2 HIS A 7 -25.093 -4.570 0.572 1.00 54.31 N flip ATOM 0 H HIS A 7 -23.244 -8.493 -0.579 1.00 31.13 H new ATOM 0 HA HIS A 7 -22.853 -7.762 -3.308 1.00 10.04 H new ATOM 0 HB2 HIS A 7 -23.073 -5.331 -3.113 1.00 54.43 H new ATOM 0 HB3 HIS A 7 -24.620 -6.145 -2.981 1.00 54.43 H new ATOM 0 HD2 HIS A 7 -26.009 -5.883 -0.835 1.00 24.32 H new ATOM 0 HE1 HIS A 7 -23.555 -3.376 1.438 1.00 64.42 H new ATOM 0 HE2 HIS A 7 -25.851 -4.436 1.241 1.00 54.31 H new ATOM 128 N ARG A 8 -20.558 -6.796 -2.534 1.00 61.14 N ATOM 129 CA ARG A 8 -19.183 -6.513 -2.072 1.00 4.14 C ATOM 130 C ARG A 8 -19.050 -5.018 -1.683 1.00 52.12 C ATOM 131 O ARG A 8 -18.906 -4.140 -2.540 1.00 33.43 O ATOM 132 CB ARG A 8 -18.128 -6.952 -3.142 1.00 25.14 C ATOM 133 CG ARG A 8 -18.310 -6.335 -4.556 1.00 75.35 C ATOM 134 CD ARG A 8 -17.208 -6.749 -5.552 1.00 32.31 C ATOM 135 NE ARG A 8 -17.379 -6.106 -6.866 1.00 0.44 N ATOM 136 CZ ARG A 8 -16.420 -5.999 -7.805 1.00 13.32 C ATOM 137 NH1 ARG A 8 -15.197 -6.484 -7.591 1.00 14.43 N ATOM 138 NH2 ARG A 8 -16.703 -5.409 -8.950 1.00 64.52 N ATOM 0 H ARG A 8 -20.683 -6.703 -3.542 1.00 61.14 H new ATOM 0 HA ARG A 8 -18.978 -7.103 -1.179 1.00 4.14 H new ATOM 0 HB2 ARG A 8 -17.135 -6.690 -2.776 1.00 25.14 H new ATOM 0 HB3 ARG A 8 -18.159 -8.038 -3.232 1.00 25.14 H new ATOM 0 HG2 ARG A 8 -19.280 -6.635 -4.953 1.00 75.35 H new ATOM 0 HG3 ARG A 8 -18.323 -5.248 -4.471 1.00 75.35 H new ATOM 0 HD2 ARG A 8 -16.233 -6.484 -5.144 1.00 32.31 H new ATOM 0 HD3 ARG A 8 -17.219 -7.832 -5.675 1.00 32.31 H new ATOM 0 HE ARG A 8 -18.295 -5.711 -7.081 1.00 0.44 H new ATOM 0 HH11 ARG A 8 -14.978 -6.943 -6.707 1.00 14.43 H new ATOM 0 HH12 ARG A 8 -14.480 -6.396 -8.311 1.00 14.43 H new ATOM 0 HH21 ARG A 8 -17.639 -5.040 -9.116 1.00 64.52 H new ATOM 0 HH22 ARG A 8 -15.985 -5.321 -9.670 1.00 64.52 H new ATOM 152 N SER A 9 -19.166 -4.723 -0.375 1.00 43.51 N ATOM 153 CA SER A 9 -18.996 -3.365 0.165 1.00 42.14 C ATOM 154 C SER A 9 -17.666 -3.276 0.927 1.00 51.14 C ATOM 155 O SER A 9 -17.544 -3.774 2.060 1.00 62.44 O ATOM 156 CB SER A 9 -20.202 -3.002 1.055 1.00 40.20 C ATOM 157 OG SER A 9 -20.385 -3.943 2.100 1.00 43.33 O ATOM 0 H SER A 9 -19.381 -5.422 0.336 1.00 43.51 H new ATOM 0 HA SER A 9 -18.960 -2.640 -0.648 1.00 42.14 H new ATOM 0 HB2 SER A 9 -20.054 -2.010 1.481 1.00 40.20 H new ATOM 0 HB3 SER A 9 -21.104 -2.956 0.445 1.00 40.20 H new ATOM 0 HG SER A 9 -19.512 -4.217 2.450 1.00 43.33 H new ATOM 163 N GLY A 10 -16.660 -2.673 0.275 1.00 50.35 N ATOM 164 CA GLY A 10 -15.333 -2.530 0.844 1.00 44.51 C ATOM 165 C GLY A 10 -14.303 -2.176 -0.204 1.00 24.40 C ATOM 166 O GLY A 10 -13.359 -2.940 -0.441 1.00 53.21 O ATOM 0 H GLY A 10 -16.755 -2.275 -0.659 1.00 50.35 H new ATOM 0 HA2 GLY A 10 -15.349 -1.757 1.612 1.00 44.51 H new ATOM 0 HA3 GLY A 10 -15.046 -3.460 1.334 1.00 44.51 H new ATOM 170 N ASP A 11 -14.488 -1.012 -0.839 1.00 70.14 N ATOM 171 CA ASP A 11 -13.555 -0.499 -1.857 1.00 3.30 C ATOM 172 C ASP A 11 -12.224 -0.074 -1.205 1.00 64.40 C ATOM 173 O ASP A 11 -12.190 0.409 -0.063 1.00 12.11 O ATOM 174 CB ASP A 11 -14.187 0.665 -2.669 1.00 30.12 C ATOM 175 CG ASP A 11 -14.727 1.815 -1.796 1.00 10.54 C ATOM 176 OD1 ASP A 11 -15.726 1.604 -1.067 1.00 4.34 O ATOM 177 OD2 ASP A 11 -14.179 2.934 -1.841 1.00 1.15 O ATOM 0 H ASP A 11 -15.285 -0.399 -0.664 1.00 70.14 H new ATOM 0 HA ASP A 11 -13.344 -1.304 -2.561 1.00 3.30 H new ATOM 0 HB2 ASP A 11 -13.440 1.063 -3.356 1.00 30.12 H new ATOM 0 HB3 ASP A 11 -15.001 0.271 -3.277 1.00 30.12 H new ATOM 182 N ILE A 12 -11.140 -0.271 -1.950 1.00 54.42 N ATOM 183 CA ILE A 12 -9.765 -0.153 -1.448 1.00 72.11 C ATOM 184 C ILE A 12 -9.222 1.267 -1.706 1.00 3.11 C ATOM 185 O ILE A 12 -8.893 1.610 -2.841 1.00 45.22 O ATOM 186 CB ILE A 12 -8.860 -1.218 -2.175 1.00 32.21 C ATOM 187 CG1 ILE A 12 -9.450 -2.658 -2.019 1.00 4.42 C ATOM 188 CG2 ILE A 12 -7.399 -1.159 -1.689 1.00 61.10 C ATOM 189 CD1 ILE A 12 -8.779 -3.722 -2.883 1.00 44.31 C ATOM 0 H ILE A 12 -11.188 -0.522 -2.938 1.00 54.42 H new ATOM 0 HA ILE A 12 -9.754 -0.335 -0.373 1.00 72.11 H new ATOM 0 HB ILE A 12 -8.856 -0.968 -3.236 1.00 32.21 H new ATOM 0 HG12 ILE A 12 -9.371 -2.956 -0.974 1.00 4.42 H new ATOM 0 HG13 ILE A 12 -10.512 -2.629 -2.263 1.00 4.42 H new ATOM 0 HG21 ILE A 12 -6.810 -1.910 -2.216 1.00 61.10 H new ATOM 0 HG22 ILE A 12 -6.989 -0.169 -1.889 1.00 61.10 H new ATOM 0 HG23 ILE A 12 -7.364 -1.356 -0.618 1.00 61.10 H new ATOM 0 HD11 ILE A 12 -9.255 -4.687 -2.707 1.00 44.31 H new ATOM 0 HD12 ILE A 12 -8.880 -3.454 -3.935 1.00 44.31 H new ATOM 0 HD13 ILE A 12 -7.722 -3.787 -2.625 1.00 44.31 H new ATOM 201 N GLN A 13 -9.151 2.094 -0.657 1.00 15.55 N ATOM 202 CA GLN A 13 -8.510 3.415 -0.725 1.00 43.25 C ATOM 203 C GLN A 13 -7.010 3.258 -0.431 1.00 12.43 C ATOM 204 O GLN A 13 -6.627 2.840 0.667 1.00 72.51 O ATOM 205 CB GLN A 13 -9.145 4.397 0.291 1.00 44.01 C ATOM 206 CG GLN A 13 -8.493 5.801 0.335 1.00 42.41 C ATOM 207 CD GLN A 13 -8.913 6.637 1.542 1.00 42.24 C ATOM 208 OE1 GLN A 13 -8.045 7.541 1.971 1.00 53.23 O flip ATOM 209 NE2 GLN A 13 -10.013 6.483 2.082 1.00 71.51 N flip ATOM 0 H GLN A 13 -9.535 1.869 0.261 1.00 15.55 H new ATOM 0 HA GLN A 13 -8.656 3.825 -1.724 1.00 43.25 H new ATOM 0 HB2 GLN A 13 -10.202 4.511 0.052 1.00 44.01 H new ATOM 0 HB3 GLN A 13 -9.089 3.955 1.286 1.00 44.01 H new ATOM 0 HG2 GLN A 13 -7.409 5.688 0.342 1.00 42.41 H new ATOM 0 HG3 GLN A 13 -8.751 6.340 -0.576 1.00 42.41 H new ATOM 0 HE21 GLN A 13 -10.660 5.778 1.729 1.00 71.51 H new ATOM 0 HE22 GLN A 13 -10.274 7.060 2.881 1.00 71.51 H new ATOM 218 N VAL A 14 -6.180 3.548 -1.432 1.00 64.53 N ATOM 219 CA VAL A 14 -4.726 3.617 -1.287 1.00 40.44 C ATOM 220 C VAL A 14 -4.354 5.074 -0.983 1.00 11.22 C ATOM 221 O VAL A 14 -4.463 5.916 -1.857 1.00 5.51 O ATOM 222 CB VAL A 14 -4.003 3.135 -2.600 1.00 13.21 C ATOM 223 CG1 VAL A 14 -2.470 3.099 -2.402 1.00 43.13 C ATOM 224 CG2 VAL A 14 -4.549 1.757 -3.038 1.00 12.53 C ATOM 0 H VAL A 14 -6.503 3.744 -2.379 1.00 64.53 H new ATOM 0 HA VAL A 14 -4.404 2.961 -0.478 1.00 40.44 H new ATOM 0 HB VAL A 14 -4.213 3.849 -3.396 1.00 13.21 H new ATOM 0 HG11 VAL A 14 -1.992 2.763 -3.322 1.00 43.13 H new ATOM 0 HG12 VAL A 14 -2.112 4.097 -2.151 1.00 43.13 H new ATOM 0 HG13 VAL A 14 -2.224 2.411 -1.593 1.00 43.13 H new ATOM 0 HG21 VAL A 14 -4.040 1.436 -3.947 1.00 12.53 H new ATOM 0 HG22 VAL A 14 -4.373 1.028 -2.247 1.00 12.53 H new ATOM 0 HG23 VAL A 14 -5.619 1.834 -3.229 1.00 12.53 H new ATOM 234 N GLN A 15 -3.959 5.375 0.255 1.00 31.31 N ATOM 235 CA GLN A 15 -3.546 6.726 0.665 1.00 64.01 C ATOM 236 C GLN A 15 -2.082 6.691 1.107 1.00 24.25 C ATOM 237 O GLN A 15 -1.763 6.151 2.167 1.00 44.22 O ATOM 238 CB GLN A 15 -4.449 7.255 1.812 1.00 22.13 C ATOM 239 CG GLN A 15 -4.207 8.740 2.167 1.00 31.13 C ATOM 240 CD GLN A 15 -5.085 9.276 3.302 1.00 15.45 C ATOM 241 OE1 GLN A 15 -5.454 10.454 3.313 1.00 15.01 O ATOM 242 NE2 GLN A 15 -5.394 8.447 4.289 1.00 74.21 N ATOM 0 H GLN A 15 -3.915 4.688 1.008 1.00 31.31 H new ATOM 0 HA GLN A 15 -3.653 7.405 -0.181 1.00 64.01 H new ATOM 0 HB2 GLN A 15 -5.493 7.125 1.528 1.00 22.13 H new ATOM 0 HB3 GLN A 15 -4.283 6.647 2.702 1.00 22.13 H new ATOM 0 HG2 GLN A 15 -3.160 8.868 2.444 1.00 31.13 H new ATOM 0 HG3 GLN A 15 -4.378 9.345 1.277 1.00 31.13 H new ATOM 0 HE21 GLN A 15 -5.078 7.478 4.259 1.00 74.21 H new ATOM 0 HE22 GLN A 15 -5.948 8.778 5.079 1.00 74.21 H new ATOM 251 N ASN A 16 -1.201 7.263 0.286 1.00 21.32 N ATOM 252 CA ASN A 16 0.236 7.361 0.573 1.00 22.24 C ATOM 253 C ASN A 16 0.622 8.837 0.755 1.00 61.41 C ATOM 254 O ASN A 16 0.153 9.717 0.022 1.00 12.05 O ATOM 255 CB ASN A 16 1.051 6.675 -0.556 1.00 44.34 C ATOM 256 CG ASN A 16 2.556 6.939 -0.479 1.00 24.01 C ATOM 257 OD1 ASN A 16 3.072 7.822 -1.151 1.00 40.42 O ATOM 258 ND2 ASN A 16 3.266 6.200 0.359 1.00 31.30 N ATOM 0 H ASN A 16 -1.465 7.677 -0.608 1.00 21.32 H new ATOM 0 HA ASN A 16 0.469 6.839 1.501 1.00 22.24 H new ATOM 0 HB2 ASN A 16 0.878 5.600 -0.514 1.00 44.34 H new ATOM 0 HB3 ASN A 16 0.680 7.021 -1.521 1.00 44.34 H new ATOM 0 HD21 ASN A 16 4.269 6.360 0.456 1.00 31.30 H new ATOM 0 HD22 ASN A 16 2.810 5.470 0.907 1.00 31.30 H new ATOM 265 N ASN A 17 1.484 9.083 1.753 1.00 42.22 N ATOM 266 CA ASN A 17 1.998 10.408 2.108 1.00 72.53 C ATOM 267 C ASN A 17 3.527 10.318 2.184 1.00 31.31 C ATOM 268 O ASN A 17 4.066 9.304 2.643 1.00 74.33 O ATOM 269 CB ASN A 17 1.407 10.863 3.471 1.00 54.03 C ATOM 270 CG ASN A 17 1.896 12.246 3.922 1.00 11.14 C ATOM 271 OD1 ASN A 17 2.168 13.132 3.107 1.00 63.45 O ATOM 272 ND2 ASN A 17 2.016 12.438 5.224 1.00 72.55 N ATOM 0 H ASN A 17 1.851 8.342 2.350 1.00 42.22 H new ATOM 0 HA ASN A 17 1.707 11.143 1.358 1.00 72.53 H new ATOM 0 HB2 ASN A 17 0.319 10.877 3.399 1.00 54.03 H new ATOM 0 HB3 ASN A 17 1.667 10.129 4.233 1.00 54.03 H new ATOM 0 HD21 ASN A 17 2.341 13.337 5.579 1.00 72.55 H new ATOM 0 HD22 ASN A 17 1.784 11.687 5.874 1.00 72.55 H new ATOM 279 N ASN A 18 4.218 11.366 1.724 1.00 23.43 N ATOM 280 CA ASN A 18 5.691 11.425 1.708 1.00 41.42 C ATOM 281 C ASN A 18 6.149 12.747 2.313 1.00 54.13 C ATOM 282 O ASN A 18 5.496 13.775 2.118 1.00 51.15 O ATOM 283 CB ASN A 18 6.224 11.309 0.255 1.00 21.40 C ATOM 284 CG ASN A 18 5.786 10.017 -0.438 1.00 65.43 C ATOM 285 OD1 ASN A 18 6.425 8.975 -0.295 1.00 42.42 O ATOM 286 ND2 ASN A 18 4.697 10.070 -1.182 1.00 53.32 N ATOM 0 H ASN A 18 3.773 12.204 1.349 1.00 23.43 H new ATOM 0 HA ASN A 18 6.084 10.593 2.292 1.00 41.42 H new ATOM 0 HB2 ASN A 18 5.874 12.163 -0.325 1.00 21.40 H new ATOM 0 HB3 ASN A 18 7.313 11.358 0.268 1.00 21.40 H new ATOM 0 HD21 ASN A 18 4.363 9.232 -1.658 1.00 53.32 H new ATOM 0 HD22 ASN A 18 4.189 10.949 -1.281 1.00 53.32 H new ATOM 293 N THR A 19 7.249 12.720 3.068 1.00 73.41 N ATOM 294 CA THR A 19 7.927 13.937 3.511 1.00 21.31 C ATOM 295 C THR A 19 9.061 14.222 2.512 1.00 31.45 C ATOM 296 O THR A 19 10.090 13.545 2.523 1.00 54.03 O ATOM 297 CB THR A 19 8.472 13.774 4.971 1.00 44.22 C ATOM 298 OG1 THR A 19 7.397 13.390 5.845 1.00 50.02 O ATOM 299 CG2 THR A 19 9.115 15.073 5.496 1.00 44.34 C ATOM 0 H THR A 19 7.692 11.858 3.387 1.00 73.41 H new ATOM 0 HA THR A 19 7.232 14.777 3.534 1.00 21.31 H new ATOM 0 HB THR A 19 9.242 13.003 4.952 1.00 44.22 H new ATOM 0 HG1 THR A 19 7.739 13.286 6.758 1.00 50.02 H new ATOM 0 HG21 THR A 19 9.479 14.914 6.511 1.00 44.34 H new ATOM 0 HG22 THR A 19 9.948 15.353 4.851 1.00 44.34 H new ATOM 0 HG23 THR A 19 8.373 15.872 5.497 1.00 44.34 H new ATOM 307 N CYS A 20 8.870 15.245 1.671 1.00 21.03 N ATOM 308 CA CYS A 20 9.748 15.544 0.532 1.00 30.14 C ATOM 309 C CYS A 20 9.458 16.960 0.031 1.00 3.33 C ATOM 310 O CYS A 20 8.288 17.354 -0.084 1.00 25.20 O ATOM 311 CB CYS A 20 9.528 14.515 -0.608 1.00 32.42 C ATOM 312 SG CYS A 20 7.835 14.445 -1.237 1.00 32.53 S ATOM 0 H CYS A 20 8.091 15.897 1.763 1.00 21.03 H new ATOM 0 HA CYS A 20 10.788 15.478 0.853 1.00 30.14 H new ATOM 0 HB2 CYS A 20 10.199 14.756 -1.433 1.00 32.42 H new ATOM 0 HB3 CYS A 20 9.809 13.526 -0.247 1.00 32.42 H new ATOM 0 HG CYS A 20 7.248 15.587 -1.031 1.00 32.53 H new ATOM 318 N ASN A 21 10.529 17.726 -0.244 1.00 44.55 N ATOM 319 CA ASN A 21 10.433 19.109 -0.724 1.00 51.11 C ATOM 320 C ASN A 21 9.818 19.150 -2.140 1.00 23.14 C ATOM 321 O ASN A 21 10.397 18.639 -3.105 1.00 23.25 O ATOM 322 CB ASN A 21 11.826 19.794 -0.672 1.00 13.54 C ATOM 323 CG ASN A 21 12.914 19.049 -1.459 1.00 72.35 C ATOM 324 OD1 ASN A 21 13.535 18.123 -0.945 1.00 24.22 O ATOM 325 ND2 ASN A 21 13.166 19.459 -2.694 1.00 12.11 N ATOM 0 H ASN A 21 11.489 17.398 -0.138 1.00 44.55 H new ATOM 0 HA ASN A 21 9.767 19.670 -0.068 1.00 51.11 H new ATOM 0 HB2 ASN A 21 11.737 20.807 -1.064 1.00 13.54 H new ATOM 0 HB3 ASN A 21 12.139 19.881 0.368 1.00 13.54 H new ATOM 0 HD21 ASN A 21 13.893 19.002 -3.245 1.00 12.11 H new ATOM 0 HD22 ASN A 21 12.633 20.231 -3.094 1.00 12.11 H new ATOM 332 N GLY A 22 8.611 19.720 -2.233 1.00 34.30 N ATOM 333 CA GLY A 22 7.876 19.828 -3.488 1.00 4.24 C ATOM 334 C GLY A 22 6.379 19.834 -3.240 1.00 63.34 C ATOM 335 O GLY A 22 5.914 19.290 -2.228 1.00 24.30 O ATOM 0 H GLY A 22 8.119 20.119 -1.434 1.00 34.30 H new ATOM 0 HA2 GLY A 22 8.166 20.742 -4.007 1.00 4.24 H new ATOM 0 HA3 GLY A 22 8.137 18.995 -4.140 1.00 4.24 H new ATOM 339 N LYS A 23 5.620 20.440 -4.160 1.00 5.12 N ATOM 340 CA LYS A 23 4.161 20.603 -4.019 1.00 15.40 C ATOM 341 C LYS A 23 3.425 19.270 -4.300 1.00 71.12 C ATOM 342 O LYS A 23 2.412 18.962 -3.653 1.00 53.33 O ATOM 343 CB LYS A 23 3.667 21.736 -4.973 1.00 4.40 C ATOM 344 CG LYS A 23 2.183 22.160 -4.808 1.00 42.55 C ATOM 345 CD LYS A 23 1.837 22.816 -3.441 1.00 53.11 C ATOM 346 CE LYS A 23 2.461 24.217 -3.214 1.00 13.31 C ATOM 347 NZ LYS A 23 3.931 24.186 -2.964 1.00 35.15 N ATOM 0 H LYS A 23 5.995 20.832 -5.024 1.00 5.12 H new ATOM 0 HA LYS A 23 3.933 20.887 -2.992 1.00 15.40 H new ATOM 0 HB2 LYS A 23 4.295 22.614 -4.819 1.00 4.40 H new ATOM 0 HB3 LYS A 23 3.820 21.411 -6.002 1.00 4.40 H new ATOM 0 HG2 LYS A 23 1.930 22.860 -5.605 1.00 42.55 H new ATOM 0 HG3 LYS A 23 1.552 21.281 -4.943 1.00 42.55 H new ATOM 0 HD2 LYS A 23 0.753 22.899 -3.358 1.00 53.11 H new ATOM 0 HD3 LYS A 23 2.168 22.153 -2.642 1.00 53.11 H new ATOM 0 HE2 LYS A 23 2.263 24.839 -4.087 1.00 13.31 H new ATOM 0 HE3 LYS A 23 1.967 24.692 -2.366 1.00 13.31 H new ATOM 0 HZ1 LYS A 23 4.169 24.862 -2.210 1.00 35.15 H new ATOM 0 HZ2 LYS A 23 4.213 23.228 -2.672 1.00 35.15 H new ATOM 0 HZ3 LYS A 23 4.437 24.446 -3.835 1.00 35.15 H new ATOM 361 N THR A 24 3.958 18.474 -5.245 1.00 42.12 N ATOM 362 CA THR A 24 3.329 17.216 -5.690 1.00 55.33 C ATOM 363 C THR A 24 3.951 15.988 -4.980 1.00 14.13 C ATOM 364 O THR A 24 4.975 15.453 -5.416 1.00 2.14 O ATOM 365 CB THR A 24 3.426 17.072 -7.252 1.00 54.22 C ATOM 366 OG1 THR A 24 4.802 17.065 -7.675 1.00 53.54 O ATOM 367 CG2 THR A 24 2.698 18.211 -7.982 1.00 12.44 C ATOM 0 H THR A 24 4.835 18.684 -5.721 1.00 42.12 H new ATOM 0 HA THR A 24 2.275 17.254 -5.413 1.00 55.33 H new ATOM 0 HB THR A 24 2.947 16.127 -7.509 1.00 54.22 H new ATOM 0 HG1 THR A 24 5.323 16.482 -7.084 1.00 53.54 H new ATOM 0 HG21 THR A 24 2.791 18.071 -9.059 1.00 12.44 H new ATOM 0 HG22 THR A 24 1.644 18.205 -7.705 1.00 12.44 H new ATOM 0 HG23 THR A 24 3.142 19.166 -7.701 1.00 12.44 H new ATOM 375 N PHE A 25 3.336 15.575 -3.857 1.00 4.42 N ATOM 376 CA PHE A 25 3.695 14.338 -3.116 1.00 31.32 C ATOM 377 C PHE A 25 2.413 13.596 -2.687 1.00 1.42 C ATOM 378 O PHE A 25 2.436 12.700 -1.825 1.00 44.24 O ATOM 379 CB PHE A 25 4.603 14.674 -1.899 1.00 53.02 C ATOM 380 CG PHE A 25 3.990 15.621 -0.859 1.00 42.21 C ATOM 381 CD1 PHE A 25 3.970 16.998 -1.068 1.00 11.30 C ATOM 382 CD2 PHE A 25 3.452 15.135 0.335 1.00 41.34 C ATOM 383 CE1 PHE A 25 3.434 17.851 -0.127 1.00 32.31 C ATOM 384 CE2 PHE A 25 2.920 15.991 1.275 1.00 21.31 C ATOM 385 CZ PHE A 25 2.908 17.349 1.047 1.00 53.34 C ATOM 0 H PHE A 25 2.567 16.091 -3.429 1.00 4.42 H new ATOM 0 HA PHE A 25 4.264 13.678 -3.770 1.00 31.32 H new ATOM 0 HB2 PHE A 25 4.874 13.743 -1.402 1.00 53.02 H new ATOM 0 HB3 PHE A 25 5.527 15.118 -2.269 1.00 53.02 H new ATOM 0 HD1 PHE A 25 4.381 17.403 -1.981 1.00 11.30 H new ATOM 0 HD2 PHE A 25 3.453 14.072 0.524 1.00 41.34 H new ATOM 0 HE1 PHE A 25 3.425 18.916 -0.309 1.00 32.31 H new ATOM 0 HE2 PHE A 25 2.511 15.596 2.193 1.00 21.31 H new ATOM 0 HZ PHE A 25 2.489 18.019 1.783 1.00 53.34 H new ATOM 395 N ASP A 26 1.301 13.969 -3.340 1.00 50.34 N ATOM 396 CA ASP A 26 -0.051 13.481 -3.047 1.00 42.33 C ATOM 397 C ASP A 26 -0.339 12.248 -3.911 1.00 2.34 C ATOM 398 O ASP A 26 -0.580 12.377 -5.116 1.00 43.24 O ATOM 399 CB ASP A 26 -1.087 14.613 -3.342 1.00 1.51 C ATOM 400 CG ASP A 26 -0.925 15.880 -2.470 1.00 74.23 C ATOM 401 OD1 ASP A 26 0.219 16.355 -2.265 1.00 63.42 O ATOM 402 OD2 ASP A 26 -1.948 16.430 -2.006 1.00 11.45 O ATOM 0 H ASP A 26 1.321 14.639 -4.109 1.00 50.34 H new ATOM 0 HA ASP A 26 -0.129 13.202 -1.996 1.00 42.33 H new ATOM 0 HB2 ASP A 26 -1.005 14.897 -4.391 1.00 1.51 H new ATOM 0 HB3 ASP A 26 -2.091 14.215 -3.197 1.00 1.51 H new ATOM 407 N TYR A 27 -0.257 11.048 -3.312 1.00 71.24 N ATOM 408 CA TYR A 27 -0.459 9.772 -4.031 1.00 1.23 C ATOM 409 C TYR A 27 -1.594 8.981 -3.374 1.00 52.10 C ATOM 410 O TYR A 27 -1.355 8.084 -2.562 1.00 53.44 O ATOM 411 CB TYR A 27 0.880 8.974 -4.079 1.00 4.13 C ATOM 412 CG TYR A 27 2.036 9.766 -4.717 1.00 73.31 C ATOM 413 CD1 TYR A 27 1.926 10.260 -6.021 1.00 12.12 C ATOM 414 CD2 TYR A 27 3.206 10.067 -4.008 1.00 52.33 C ATOM 415 CE1 TYR A 27 2.935 11.007 -6.592 1.00 31.21 C ATOM 416 CE2 TYR A 27 4.218 10.822 -4.578 1.00 73.13 C ATOM 417 CZ TYR A 27 4.076 11.290 -5.867 1.00 74.35 C ATOM 418 OH TYR A 27 5.078 12.045 -6.439 1.00 73.42 O ATOM 0 H TYR A 27 -0.050 10.932 -2.320 1.00 71.24 H new ATOM 0 HA TYR A 27 -0.755 9.965 -5.062 1.00 1.23 H new ATOM 0 HB2 TYR A 27 1.161 8.687 -3.066 1.00 4.13 H new ATOM 0 HB3 TYR A 27 0.726 8.052 -4.640 1.00 4.13 H new ATOM 0 HD1 TYR A 27 1.033 10.052 -6.592 1.00 12.12 H new ATOM 0 HD2 TYR A 27 3.321 9.703 -2.998 1.00 52.33 H new ATOM 0 HE1 TYR A 27 2.833 11.370 -7.604 1.00 31.21 H new ATOM 0 HE2 TYR A 27 5.113 11.043 -4.016 1.00 73.13 H new ATOM 0 HH TYR A 27 4.688 12.669 -7.086 1.00 73.42 H new ATOM 428 N THR A 28 -2.847 9.364 -3.696 1.00 5.52 N ATOM 429 CA THR A 28 -4.058 8.728 -3.148 1.00 42.45 C ATOM 430 C THR A 28 -5.016 8.334 -4.294 1.00 11.12 C ATOM 431 O THR A 28 -5.420 9.180 -5.095 1.00 11.22 O ATOM 432 CB THR A 28 -4.782 9.658 -2.121 1.00 55.53 C ATOM 433 OG1 THR A 28 -3.852 10.056 -1.093 1.00 11.23 O ATOM 434 CG2 THR A 28 -6.002 8.966 -1.468 1.00 62.15 C ATOM 0 H THR A 28 -3.045 10.125 -4.345 1.00 5.52 H new ATOM 0 HA THR A 28 -3.753 7.828 -2.615 1.00 42.45 H new ATOM 0 HB THR A 28 -5.145 10.530 -2.665 1.00 55.53 H new ATOM 0 HG1 THR A 28 -4.254 10.761 -0.544 1.00 11.23 H new ATOM 0 HG21 THR A 28 -6.473 9.650 -0.762 1.00 62.15 H new ATOM 0 HG22 THR A 28 -6.720 8.690 -2.240 1.00 62.15 H new ATOM 0 HG23 THR A 28 -5.673 8.070 -0.941 1.00 62.15 H new ATOM 442 N TYR A 29 -5.343 7.032 -4.359 1.00 20.42 N ATOM 443 CA TYR A 29 -6.198 6.418 -5.397 1.00 10.33 C ATOM 444 C TYR A 29 -7.264 5.535 -4.705 1.00 71.04 C ATOM 445 O TYR A 29 -7.156 5.261 -3.505 1.00 52.30 O ATOM 446 CB TYR A 29 -5.318 5.547 -6.347 1.00 74.45 C ATOM 447 CG TYR A 29 -4.045 6.252 -6.867 1.00 62.52 C ATOM 448 CD1 TYR A 29 -4.069 7.067 -8.004 1.00 24.24 C ATOM 449 CD2 TYR A 29 -2.810 6.098 -6.211 1.00 72.50 C ATOM 450 CE1 TYR A 29 -2.924 7.701 -8.457 1.00 61.32 C ATOM 451 CE2 TYR A 29 -1.669 6.730 -6.666 1.00 40.14 C ATOM 452 CZ TYR A 29 -1.728 7.524 -7.784 1.00 2.13 C ATOM 453 OH TYR A 29 -0.585 8.158 -8.227 1.00 44.54 O ATOM 0 H TYR A 29 -5.011 6.355 -3.672 1.00 20.42 H new ATOM 0 HA TYR A 29 -6.691 7.193 -5.984 1.00 10.33 H new ATOM 0 HB2 TYR A 29 -5.025 4.639 -5.820 1.00 74.45 H new ATOM 0 HB3 TYR A 29 -5.922 5.239 -7.201 1.00 74.45 H new ATOM 0 HD1 TYR A 29 -4.998 7.204 -8.538 1.00 24.24 H new ATOM 0 HD2 TYR A 29 -2.753 5.472 -5.333 1.00 72.50 H new ATOM 0 HE1 TYR A 29 -2.965 8.332 -9.333 1.00 61.32 H new ATOM 0 HE2 TYR A 29 -0.733 6.600 -6.143 1.00 40.14 H new ATOM 0 HH TYR A 29 0.165 7.927 -7.641 1.00 44.54 H new ATOM 463 N THR A 30 -8.309 5.127 -5.443 1.00 3.14 N ATOM 464 CA THR A 30 -9.314 4.151 -4.966 1.00 21.22 C ATOM 465 C THR A 30 -9.542 3.091 -6.056 1.00 62.02 C ATOM 466 O THR A 30 -9.820 3.441 -7.208 1.00 5.41 O ATOM 467 CB THR A 30 -10.661 4.851 -4.580 1.00 2.33 C ATOM 468 OG1 THR A 30 -10.388 5.936 -3.678 1.00 21.31 O ATOM 469 CG2 THR A 30 -11.644 3.876 -3.905 1.00 14.21 C ATOM 0 H THR A 30 -8.485 5.463 -6.390 1.00 3.14 H new ATOM 0 HA THR A 30 -8.935 3.671 -4.063 1.00 21.22 H new ATOM 0 HB THR A 30 -11.122 5.215 -5.498 1.00 2.33 H new ATOM 0 HG1 THR A 30 -11.228 6.378 -3.435 1.00 21.31 H new ATOM 0 HG21 THR A 30 -12.565 4.403 -3.654 1.00 14.21 H new ATOM 0 HG22 THR A 30 -11.870 3.056 -4.587 1.00 14.21 H new ATOM 0 HG23 THR A 30 -11.194 3.478 -2.995 1.00 14.21 H new ATOM 477 N VAL A 31 -9.405 1.801 -5.694 1.00 3.23 N ATOM 478 CA VAL A 31 -9.532 0.656 -6.622 1.00 0.35 C ATOM 479 C VAL A 31 -10.574 -0.351 -6.081 1.00 14.23 C ATOM 480 O VAL A 31 -10.638 -0.604 -4.877 1.00 45.20 O ATOM 481 CB VAL A 31 -8.134 -0.055 -6.859 1.00 43.20 C ATOM 482 CG1 VAL A 31 -7.098 0.926 -7.460 1.00 61.11 C ATOM 483 CG2 VAL A 31 -7.574 -0.703 -5.571 1.00 51.45 C ATOM 0 H VAL A 31 -9.200 1.519 -4.735 1.00 3.23 H new ATOM 0 HA VAL A 31 -9.874 1.035 -7.585 1.00 0.35 H new ATOM 0 HB VAL A 31 -8.315 -0.856 -7.576 1.00 43.20 H new ATOM 0 HG11 VAL A 31 -6.151 0.408 -7.610 1.00 61.11 H new ATOM 0 HG12 VAL A 31 -7.463 1.300 -8.417 1.00 61.11 H new ATOM 0 HG13 VAL A 31 -6.950 1.762 -6.777 1.00 61.11 H new ATOM 0 HG21 VAL A 31 -6.616 -1.176 -5.788 1.00 51.45 H new ATOM 0 HG22 VAL A 31 -7.436 0.064 -4.809 1.00 51.45 H new ATOM 0 HG23 VAL A 31 -8.275 -1.454 -5.207 1.00 51.45 H new ATOM 493 N THR A 32 -11.411 -0.903 -6.976 1.00 44.24 N ATOM 494 CA THR A 32 -12.457 -1.901 -6.612 1.00 75.34 C ATOM 495 C THR A 32 -12.001 -3.327 -7.004 1.00 1.22 C ATOM 496 O THR A 32 -12.780 -4.295 -6.941 1.00 35.30 O ATOM 497 CB THR A 32 -13.821 -1.538 -7.306 1.00 20.50 C ATOM 498 OG1 THR A 32 -14.865 -2.428 -6.873 1.00 63.30 O ATOM 499 CG2 THR A 32 -13.732 -1.580 -8.848 1.00 4.51 C ATOM 0 H THR A 32 -11.390 -0.678 -7.971 1.00 44.24 H new ATOM 0 HA THR A 32 -12.605 -1.877 -5.532 1.00 75.34 H new ATOM 0 HB THR A 32 -14.053 -0.516 -7.008 1.00 20.50 H new ATOM 0 HG1 THR A 32 -14.507 -3.337 -6.791 1.00 63.30 H new ATOM 0 HG21 THR A 32 -14.701 -1.321 -9.276 1.00 4.51 H new ATOM 0 HG22 THR A 32 -12.983 -0.866 -9.189 1.00 4.51 H new ATOM 0 HG23 THR A 32 -13.450 -2.583 -9.169 1.00 4.51 H new ATOM 507 N THR A 33 -10.720 -3.446 -7.387 1.00 62.51 N ATOM 508 CA THR A 33 -10.151 -4.670 -7.964 1.00 64.51 C ATOM 509 C THR A 33 -8.671 -4.814 -7.548 1.00 44.51 C ATOM 510 O THR A 33 -7.945 -3.811 -7.463 1.00 24.40 O ATOM 511 CB THR A 33 -10.282 -4.624 -9.528 1.00 22.23 C ATOM 512 OG1 THR A 33 -11.660 -4.440 -9.918 1.00 74.44 O ATOM 513 CG2 THR A 33 -9.733 -5.883 -10.214 1.00 62.33 C ATOM 0 H THR A 33 -10.045 -2.686 -7.303 1.00 62.51 H new ATOM 0 HA THR A 33 -10.699 -5.535 -7.589 1.00 64.51 H new ATOM 0 HB THR A 33 -9.680 -3.777 -9.856 1.00 22.23 H new ATOM 0 HG1 THR A 33 -11.722 -4.412 -10.896 1.00 74.44 H new ATOM 0 HG21 THR A 33 -9.852 -5.790 -11.294 1.00 62.33 H new ATOM 0 HG22 THR A 33 -8.676 -5.996 -9.974 1.00 62.33 H new ATOM 0 HG23 THR A 33 -10.281 -6.757 -9.862 1.00 62.33 H new ATOM 521 N GLU A 34 -8.251 -6.067 -7.292 1.00 73.43 N ATOM 522 CA GLU A 34 -6.881 -6.404 -6.880 1.00 31.51 C ATOM 523 C GLU A 34 -5.855 -6.060 -7.969 1.00 24.31 C ATOM 524 O GLU A 34 -4.840 -5.462 -7.665 1.00 61.43 O ATOM 525 CB GLU A 34 -6.771 -7.904 -6.513 1.00 5.22 C ATOM 526 CG GLU A 34 -7.648 -8.341 -5.329 1.00 2.34 C ATOM 527 CD GLU A 34 -7.533 -9.849 -5.046 1.00 13.43 C ATOM 528 OE1 GLU A 34 -6.445 -10.292 -4.628 1.00 23.33 O ATOM 529 OE2 GLU A 34 -8.508 -10.597 -5.268 1.00 21.05 O ATOM 0 H GLU A 34 -8.862 -6.880 -7.367 1.00 73.43 H new ATOM 0 HA GLU A 34 -6.656 -5.801 -6.000 1.00 31.51 H new ATOM 0 HB2 GLU A 34 -7.040 -8.498 -7.386 1.00 5.22 H new ATOM 0 HB3 GLU A 34 -5.731 -8.132 -6.281 1.00 5.22 H new ATOM 0 HG2 GLU A 34 -7.358 -7.783 -4.439 1.00 2.34 H new ATOM 0 HG3 GLU A 34 -8.688 -8.090 -5.538 1.00 2.34 H new ATOM 536 N SER A 35 -6.141 -6.433 -9.238 1.00 23.02 N ATOM 537 CA SER A 35 -5.224 -6.200 -10.384 1.00 24.54 C ATOM 538 C SER A 35 -4.914 -4.703 -10.564 1.00 3.32 C ATOM 539 O SER A 35 -3.786 -4.318 -10.909 1.00 31.11 O ATOM 540 CB SER A 35 -5.827 -6.803 -11.669 1.00 2.14 C ATOM 541 OG SER A 35 -7.112 -6.267 -11.937 1.00 74.42 O ATOM 0 H SER A 35 -7.009 -6.902 -9.498 1.00 23.02 H new ATOM 0 HA SER A 35 -4.278 -6.698 -10.174 1.00 24.54 H new ATOM 0 HB2 SER A 35 -5.165 -6.604 -12.512 1.00 2.14 H new ATOM 0 HB3 SER A 35 -5.897 -7.886 -11.567 1.00 2.14 H new ATOM 0 HG SER A 35 -7.468 -6.666 -12.758 1.00 74.42 H new ATOM 547 N GLU A 36 -5.940 -3.873 -10.296 1.00 24.21 N ATOM 548 CA GLU A 36 -5.811 -2.414 -10.272 1.00 41.31 C ATOM 549 C GLU A 36 -4.849 -1.976 -9.153 1.00 20.41 C ATOM 550 O GLU A 36 -3.973 -1.139 -9.370 1.00 4.44 O ATOM 551 CB GLU A 36 -7.197 -1.769 -10.068 1.00 43.23 C ATOM 552 CG GLU A 36 -8.235 -2.101 -11.153 1.00 71.41 C ATOM 553 CD GLU A 36 -7.857 -1.575 -12.542 1.00 24.01 C ATOM 554 OE1 GLU A 36 -8.194 -0.423 -12.865 1.00 14.54 O ATOM 555 OE2 GLU A 36 -7.196 -2.304 -13.314 1.00 71.51 O ATOM 0 H GLU A 36 -6.883 -4.203 -10.090 1.00 24.21 H new ATOM 0 HA GLU A 36 -5.401 -2.082 -11.226 1.00 41.31 H new ATOM 0 HB2 GLU A 36 -7.590 -2.086 -9.102 1.00 43.23 H new ATOM 0 HB3 GLU A 36 -7.074 -0.687 -10.023 1.00 43.23 H new ATOM 0 HG2 GLU A 36 -8.362 -3.182 -11.205 1.00 71.41 H new ATOM 0 HG3 GLU A 36 -9.198 -1.681 -10.864 1.00 71.41 H new ATOM 562 N LEU A 37 -5.026 -2.589 -7.965 1.00 64.01 N ATOM 563 CA LEU A 37 -4.185 -2.347 -6.779 1.00 13.20 C ATOM 564 C LEU A 37 -2.711 -2.715 -7.048 1.00 5.41 C ATOM 565 O LEU A 37 -1.803 -2.006 -6.611 1.00 14.13 O ATOM 566 CB LEU A 37 -4.727 -3.168 -5.576 1.00 44.41 C ATOM 567 CG LEU A 37 -3.928 -3.055 -4.238 1.00 70.50 C ATOM 568 CD1 LEU A 37 -3.933 -1.616 -3.704 1.00 44.01 C ATOM 569 CD2 LEU A 37 -4.466 -4.033 -3.185 1.00 21.01 C ATOM 0 H LEU A 37 -5.765 -3.273 -7.802 1.00 64.01 H new ATOM 0 HA LEU A 37 -4.226 -1.283 -6.545 1.00 13.20 H new ATOM 0 HB2 LEU A 37 -5.755 -2.858 -5.387 1.00 44.41 H new ATOM 0 HB3 LEU A 37 -4.759 -4.218 -5.866 1.00 44.41 H new ATOM 0 HG LEU A 37 -2.894 -3.327 -4.450 1.00 70.50 H new ATOM 0 HD11 LEU A 37 -3.369 -1.572 -2.772 1.00 44.01 H new ATOM 0 HD12 LEU A 37 -3.474 -0.954 -4.438 1.00 44.01 H new ATOM 0 HD13 LEU A 37 -4.960 -1.299 -3.522 1.00 44.01 H new ATOM 0 HD21 LEU A 37 -3.890 -3.931 -2.265 1.00 21.01 H new ATOM 0 HD22 LEU A 37 -5.514 -3.810 -2.983 1.00 21.01 H new ATOM 0 HD23 LEU A 37 -4.377 -5.054 -3.557 1.00 21.01 H new ATOM 581 N GLN A 38 -2.496 -3.818 -7.793 1.00 42.22 N ATOM 582 CA GLN A 38 -1.151 -4.375 -8.026 1.00 72.45 C ATOM 583 C GLN A 38 -0.297 -3.412 -8.864 1.00 1.03 C ATOM 584 O GLN A 38 0.877 -3.184 -8.557 1.00 73.42 O ATOM 585 CB GLN A 38 -1.225 -5.768 -8.721 1.00 25.34 C ATOM 586 CG GLN A 38 -2.082 -6.837 -8.001 1.00 3.21 C ATOM 587 CD GLN A 38 -1.841 -6.933 -6.490 1.00 73.35 C ATOM 588 OE1 GLN A 38 -0.957 -7.651 -6.033 1.00 23.23 O ATOM 589 NE2 GLN A 38 -2.636 -6.224 -5.704 1.00 70.22 N ATOM 0 H GLN A 38 -3.244 -4.343 -8.246 1.00 42.22 H new ATOM 0 HA GLN A 38 -0.679 -4.505 -7.052 1.00 72.45 H new ATOM 0 HB2 GLN A 38 -1.621 -5.630 -9.727 1.00 25.34 H new ATOM 0 HB3 GLN A 38 -0.211 -6.154 -8.827 1.00 25.34 H new ATOM 0 HG2 GLN A 38 -3.135 -6.617 -8.175 1.00 3.21 H new ATOM 0 HG3 GLN A 38 -1.881 -7.809 -8.451 1.00 3.21 H new ATOM 0 HE21 GLN A 38 -3.363 -5.635 -6.111 1.00 70.22 H new ATOM 0 HE22 GLN A 38 -2.522 -6.266 -4.691 1.00 70.22 H new ATOM 598 N LYS A 39 -0.908 -2.844 -9.918 1.00 2.15 N ATOM 599 CA LYS A 39 -0.202 -1.945 -10.838 1.00 21.44 C ATOM 600 C LYS A 39 -0.064 -0.531 -10.246 1.00 60.52 C ATOM 601 O LYS A 39 0.962 0.119 -10.459 1.00 13.44 O ATOM 602 CB LYS A 39 -0.902 -1.906 -12.222 1.00 24.23 C ATOM 603 CG LYS A 39 -2.249 -1.144 -12.278 1.00 74.11 C ATOM 604 CD LYS A 39 -2.896 -1.174 -13.686 1.00 50.13 C ATOM 605 CE LYS A 39 -3.988 -0.101 -13.844 1.00 71.43 C ATOM 606 NZ LYS A 39 -5.066 -0.237 -12.834 1.00 41.15 N ATOM 0 H LYS A 39 -1.890 -2.994 -10.151 1.00 2.15 H new ATOM 0 HA LYS A 39 0.804 -2.340 -10.981 1.00 21.44 H new ATOM 0 HB2 LYS A 39 -0.219 -1.451 -12.940 1.00 24.23 H new ATOM 0 HB3 LYS A 39 -1.073 -2.931 -12.550 1.00 24.23 H new ATOM 0 HG2 LYS A 39 -2.939 -1.581 -11.556 1.00 74.11 H new ATOM 0 HG3 LYS A 39 -2.088 -0.108 -11.979 1.00 74.11 H new ATOM 0 HD2 LYS A 39 -2.126 -1.021 -14.442 1.00 50.13 H new ATOM 0 HD3 LYS A 39 -3.327 -2.159 -13.865 1.00 50.13 H new ATOM 0 HE2 LYS A 39 -3.537 0.888 -13.759 1.00 71.43 H new ATOM 0 HE3 LYS A 39 -4.419 -0.170 -14.843 1.00 71.43 H new ATOM 0 HZ1 LYS A 39 -5.732 0.556 -12.928 1.00 41.15 H new ATOM 0 HZ2 LYS A 39 -5.572 -1.133 -12.985 1.00 41.15 H new ATOM 0 HZ3 LYS A 39 -4.651 -0.230 -11.880 1.00 41.15 H new ATOM 620 N VAL A 40 -1.086 -0.077 -9.479 1.00 0.42 N ATOM 621 CA VAL A 40 -1.129 1.301 -8.960 1.00 20.42 C ATOM 622 C VAL A 40 -0.052 1.507 -7.879 1.00 23.31 C ATOM 623 O VAL A 40 0.511 2.588 -7.780 1.00 51.33 O ATOM 624 CB VAL A 40 -2.558 1.721 -8.410 1.00 22.30 C ATOM 625 CG1 VAL A 40 -2.876 1.129 -7.014 1.00 15.01 C ATOM 626 CG2 VAL A 40 -2.717 3.255 -8.407 1.00 43.14 C ATOM 0 H VAL A 40 -1.887 -0.648 -9.210 1.00 0.42 H new ATOM 0 HA VAL A 40 -0.920 1.955 -9.807 1.00 20.42 H new ATOM 0 HB VAL A 40 -3.288 1.292 -9.096 1.00 22.30 H new ATOM 0 HG11 VAL A 40 -3.867 1.455 -6.698 1.00 15.01 H new ATOM 0 HG12 VAL A 40 -2.852 0.041 -7.066 1.00 15.01 H new ATOM 0 HG13 VAL A 40 -2.133 1.474 -6.295 1.00 15.01 H new ATOM 0 HG21 VAL A 40 -3.704 3.518 -8.026 1.00 43.14 H new ATOM 0 HG22 VAL A 40 -1.952 3.699 -7.770 1.00 43.14 H new ATOM 0 HG23 VAL A 40 -2.608 3.634 -9.423 1.00 43.14 H new ATOM 636 N LEU A 41 0.229 0.442 -7.090 1.00 3.24 N ATOM 637 CA LEU A 41 1.286 0.457 -6.061 1.00 63.45 C ATOM 638 C LEU A 41 2.680 0.479 -6.697 1.00 2.05 C ATOM 639 O LEU A 41 3.621 0.945 -6.069 1.00 32.42 O ATOM 640 CB LEU A 41 1.153 -0.760 -5.105 1.00 63.12 C ATOM 641 CG LEU A 41 -0.065 -0.718 -4.138 1.00 1.12 C ATOM 642 CD1 LEU A 41 -0.150 -1.996 -3.290 1.00 55.24 C ATOM 643 CD2 LEU A 41 -0.013 0.540 -3.241 1.00 44.22 C ATOM 0 H LEU A 41 -0.270 -0.445 -7.152 1.00 3.24 H new ATOM 0 HA LEU A 41 1.160 1.370 -5.479 1.00 63.45 H new ATOM 0 HB2 LEU A 41 1.087 -1.667 -5.706 1.00 63.12 H new ATOM 0 HB3 LEU A 41 2.064 -0.836 -4.512 1.00 63.12 H new ATOM 0 HG LEU A 41 -0.969 -0.664 -4.745 1.00 1.12 H new ATOM 0 HD11 LEU A 41 -1.012 -1.935 -2.625 1.00 55.24 H new ATOM 0 HD12 LEU A 41 -0.258 -2.861 -3.945 1.00 55.24 H new ATOM 0 HD13 LEU A 41 0.759 -2.101 -2.697 1.00 55.24 H new ATOM 0 HD21 LEU A 41 -0.875 0.547 -2.574 1.00 44.22 H new ATOM 0 HD22 LEU A 41 0.903 0.528 -2.650 1.00 44.22 H new ATOM 0 HD23 LEU A 41 -0.030 1.433 -3.866 1.00 44.22 H new ATOM 655 N ASN A 42 2.800 -0.046 -7.938 1.00 15.44 N ATOM 656 CA ASN A 42 4.074 -0.048 -8.701 1.00 51.13 C ATOM 657 C ASN A 42 4.350 1.336 -9.316 1.00 52.21 C ATOM 658 O ASN A 42 5.508 1.776 -9.373 1.00 42.24 O ATOM 659 CB ASN A 42 4.071 -1.146 -9.802 1.00 52.10 C ATOM 660 CG ASN A 42 4.255 -2.557 -9.246 1.00 54.11 C ATOM 661 OD1 ASN A 42 4.915 -2.762 -8.223 1.00 34.33 O ATOM 662 ND2 ASN A 42 3.702 -3.534 -9.930 1.00 33.11 N ATOM 0 H ASN A 42 2.023 -0.478 -8.438 1.00 15.44 H new ATOM 0 HA ASN A 42 4.877 -0.277 -8.000 1.00 51.13 H new ATOM 0 HB2 ASN A 42 3.130 -1.099 -10.351 1.00 52.10 H new ATOM 0 HB3 ASN A 42 4.867 -0.937 -10.516 1.00 52.10 H new ATOM 0 HD21 ASN A 42 3.812 -4.499 -9.620 1.00 33.11 H new ATOM 0 HD22 ASN A 42 3.163 -3.327 -10.771 1.00 33.11 H new ATOM 669 N GLU A 43 3.276 1.999 -9.788 1.00 70.42 N ATOM 670 CA GLU A 43 3.326 3.382 -10.323 1.00 52.03 C ATOM 671 C GLU A 43 3.672 4.360 -9.188 1.00 23.44 C ATOM 672 O GLU A 43 4.600 5.158 -9.297 1.00 55.44 O ATOM 673 CB GLU A 43 1.957 3.742 -10.966 1.00 13.04 C ATOM 674 CG GLU A 43 1.555 2.821 -12.135 1.00 64.01 C ATOM 675 CD GLU A 43 0.137 3.093 -12.665 1.00 12.33 C ATOM 676 OE1 GLU A 43 -0.053 4.088 -13.404 1.00 52.03 O ATOM 677 OE2 GLU A 43 -0.793 2.319 -12.340 1.00 34.50 O ATOM 0 H GLU A 43 2.341 1.591 -9.811 1.00 70.42 H new ATOM 0 HA GLU A 43 4.097 3.454 -11.090 1.00 52.03 H new ATOM 0 HB2 GLU A 43 1.184 3.698 -10.199 1.00 13.04 H new ATOM 0 HB3 GLU A 43 1.994 4.771 -11.323 1.00 13.04 H new ATOM 0 HG2 GLU A 43 2.269 2.946 -12.949 1.00 64.01 H new ATOM 0 HG3 GLU A 43 1.621 1.783 -11.809 1.00 64.01 H new ATOM 684 N LEU A 44 2.925 4.212 -8.082 1.00 34.14 N ATOM 685 CA LEU A 44 3.077 4.990 -6.837 1.00 13.52 C ATOM 686 C LEU A 44 4.503 4.825 -6.265 1.00 14.52 C ATOM 687 O LEU A 44 5.120 5.797 -5.824 1.00 31.30 O ATOM 688 CB LEU A 44 1.959 4.511 -5.855 1.00 1.10 C ATOM 689 CG LEU A 44 1.850 5.161 -4.425 1.00 13.32 C ATOM 690 CD1 LEU A 44 0.378 5.205 -3.949 1.00 64.45 C ATOM 691 CD2 LEU A 44 2.701 4.396 -3.380 1.00 55.12 C ATOM 0 H LEU A 44 2.173 3.525 -8.026 1.00 34.14 H new ATOM 0 HA LEU A 44 2.958 6.059 -7.013 1.00 13.52 H new ATOM 0 HB2 LEU A 44 1.001 4.658 -6.354 1.00 1.10 H new ATOM 0 HB3 LEU A 44 2.084 3.437 -5.717 1.00 1.10 H new ATOM 0 HG LEU A 44 2.235 6.177 -4.510 1.00 13.32 H new ATOM 0 HD11 LEU A 44 0.329 5.658 -2.959 1.00 64.45 H new ATOM 0 HD12 LEU A 44 -0.213 5.796 -4.648 1.00 64.45 H new ATOM 0 HD13 LEU A 44 -0.020 4.191 -3.904 1.00 64.45 H new ATOM 0 HD21 LEU A 44 2.599 4.875 -2.406 1.00 55.12 H new ATOM 0 HD22 LEU A 44 2.355 3.364 -3.314 1.00 55.12 H new ATOM 0 HD23 LEU A 44 3.748 4.409 -3.683 1.00 55.12 H new ATOM 703 N LYS A 45 5.003 3.578 -6.332 1.00 10.34 N ATOM 704 CA LYS A 45 6.371 3.195 -5.927 1.00 2.23 C ATOM 705 C LYS A 45 7.433 3.982 -6.724 1.00 13.21 C ATOM 706 O LYS A 45 8.342 4.586 -6.143 1.00 3.25 O ATOM 707 CB LYS A 45 6.533 1.676 -6.166 1.00 14.52 C ATOM 708 CG LYS A 45 7.915 1.078 -5.891 1.00 14.42 C ATOM 709 CD LYS A 45 7.995 -0.415 -6.293 1.00 75.23 C ATOM 710 CE LYS A 45 7.809 -0.670 -7.804 1.00 12.32 C ATOM 711 NZ LYS A 45 7.947 -2.117 -8.150 1.00 64.44 N ATOM 0 H LYS A 45 4.456 2.789 -6.677 1.00 10.34 H new ATOM 0 HA LYS A 45 6.520 3.433 -4.874 1.00 2.23 H new ATOM 0 HB2 LYS A 45 5.807 1.155 -5.542 1.00 14.52 H new ATOM 0 HB3 LYS A 45 6.272 1.465 -7.203 1.00 14.52 H new ATOM 0 HG2 LYS A 45 8.669 1.642 -6.440 1.00 14.42 H new ATOM 0 HG3 LYS A 45 8.149 1.181 -4.831 1.00 14.42 H new ATOM 0 HD2 LYS A 45 8.962 -0.812 -5.984 1.00 75.23 H new ATOM 0 HD3 LYS A 45 7.233 -0.969 -5.745 1.00 75.23 H new ATOM 0 HE2 LYS A 45 6.825 -0.316 -8.113 1.00 12.32 H new ATOM 0 HE3 LYS A 45 8.546 -0.092 -8.362 1.00 12.32 H new ATOM 0 HZ1 LYS A 45 8.334 -2.209 -9.111 1.00 64.44 H new ATOM 0 HZ2 LYS A 45 8.589 -2.576 -7.473 1.00 64.44 H new ATOM 0 HZ3 LYS A 45 7.014 -2.575 -8.107 1.00 64.44 H new ATOM 725 N ASP A 46 7.270 3.970 -8.061 1.00 73.13 N ATOM 726 CA ASP A 46 8.180 4.632 -9.017 1.00 32.11 C ATOM 727 C ASP A 46 8.251 6.151 -8.755 1.00 64.24 C ATOM 728 O ASP A 46 9.301 6.783 -8.959 1.00 44.32 O ATOM 729 CB ASP A 46 7.700 4.337 -10.466 1.00 74.50 C ATOM 730 CG ASP A 46 8.582 4.976 -11.554 1.00 71.30 C ATOM 731 OD1 ASP A 46 9.639 4.387 -11.896 1.00 31.42 O ATOM 732 OD2 ASP A 46 8.223 6.062 -12.067 1.00 24.43 O ATOM 0 H ASP A 46 6.491 3.493 -8.515 1.00 73.13 H new ATOM 0 HA ASP A 46 9.187 4.235 -8.886 1.00 32.11 H new ATOM 0 HB2 ASP A 46 7.676 3.258 -10.618 1.00 74.50 H new ATOM 0 HB3 ASP A 46 6.678 4.698 -10.581 1.00 74.50 H new ATOM 737 N TYR A 47 7.122 6.720 -8.302 1.00 4.40 N ATOM 738 CA TYR A 47 7.020 8.143 -7.958 1.00 2.44 C ATOM 739 C TYR A 47 7.844 8.460 -6.695 1.00 41.03 C ATOM 740 O TYR A 47 8.678 9.364 -6.732 1.00 40.43 O ATOM 741 CB TYR A 47 5.536 8.554 -7.766 1.00 62.45 C ATOM 742 CG TYR A 47 4.622 8.335 -8.992 1.00 71.25 C ATOM 743 CD1 TYR A 47 5.124 8.368 -10.303 1.00 14.52 C ATOM 744 CD2 TYR A 47 3.253 8.092 -8.829 1.00 74.32 C ATOM 745 CE1 TYR A 47 4.296 8.161 -11.394 1.00 74.12 C ATOM 746 CE2 TYR A 47 2.425 7.885 -9.916 1.00 62.30 C ATOM 747 CZ TYR A 47 2.947 7.923 -11.197 1.00 2.12 C ATOM 748 OH TYR A 47 2.121 7.714 -12.285 1.00 3.42 O ATOM 0 H TYR A 47 6.254 6.203 -8.165 1.00 4.40 H new ATOM 0 HA TYR A 47 7.430 8.724 -8.784 1.00 2.44 H new ATOM 0 HB2 TYR A 47 5.128 7.993 -6.925 1.00 62.45 H new ATOM 0 HB3 TYR A 47 5.502 9.609 -7.493 1.00 62.45 H new ATOM 0 HD1 TYR A 47 6.175 8.558 -10.464 1.00 14.52 H new ATOM 0 HD2 TYR A 47 2.835 8.066 -7.833 1.00 74.32 H new ATOM 0 HE1 TYR A 47 4.702 8.185 -12.395 1.00 74.12 H new ATOM 0 HE2 TYR A 47 1.373 7.694 -9.766 1.00 62.30 H new ATOM 0 HH TYR A 47 1.204 7.560 -11.975 1.00 3.42 H new ATOM 758 N ILE A 48 7.627 7.669 -5.610 1.00 15.51 N ATOM 759 CA ILE A 48 8.331 7.830 -4.306 1.00 10.34 C ATOM 760 C ILE A 48 9.869 7.740 -4.493 1.00 25.12 C ATOM 761 O ILE A 48 10.640 8.449 -3.831 1.00 14.34 O ATOM 762 CB ILE A 48 7.860 6.737 -3.263 1.00 51.12 C ATOM 763 CG1 ILE A 48 6.321 6.825 -2.993 1.00 61.42 C ATOM 764 CG2 ILE A 48 8.654 6.835 -1.931 1.00 62.23 C ATOM 765 CD1 ILE A 48 5.794 5.759 -2.036 1.00 54.20 C ATOM 0 H ILE A 48 6.957 6.900 -5.614 1.00 15.51 H new ATOM 0 HA ILE A 48 8.076 8.817 -3.919 1.00 10.34 H new ATOM 0 HB ILE A 48 8.070 5.764 -3.708 1.00 51.12 H new ATOM 0 HG12 ILE A 48 6.090 7.809 -2.586 1.00 61.42 H new ATOM 0 HG13 ILE A 48 5.791 6.740 -3.942 1.00 61.42 H new ATOM 0 HG21 ILE A 48 8.302 6.069 -1.240 1.00 62.23 H new ATOM 0 HG22 ILE A 48 9.716 6.686 -2.128 1.00 62.23 H new ATOM 0 HG23 ILE A 48 8.502 7.819 -1.488 1.00 62.23 H new ATOM 0 HD11 ILE A 48 4.720 5.889 -1.902 1.00 54.20 H new ATOM 0 HD12 ILE A 48 5.991 4.770 -2.449 1.00 54.20 H new ATOM 0 HD13 ILE A 48 6.294 5.856 -1.072 1.00 54.20 H new ATOM 777 N LYS A 49 10.273 6.869 -5.427 1.00 61.02 N ATOM 778 CA LYS A 49 11.678 6.660 -5.819 1.00 43.00 C ATOM 779 C LYS A 49 12.318 7.970 -6.344 1.00 14.34 C ATOM 780 O LYS A 49 13.465 8.293 -6.022 1.00 74.43 O ATOM 781 CB LYS A 49 11.712 5.544 -6.891 1.00 72.12 C ATOM 782 CG LYS A 49 13.116 5.130 -7.377 1.00 40.34 C ATOM 783 CD LYS A 49 13.053 3.981 -8.411 1.00 20.33 C ATOM 784 CE LYS A 49 12.228 4.337 -9.669 1.00 3.21 C ATOM 785 NZ LYS A 49 11.955 3.140 -10.513 1.00 35.13 N ATOM 0 H LYS A 49 9.622 6.277 -5.943 1.00 61.02 H new ATOM 0 HA LYS A 49 12.265 6.358 -4.952 1.00 43.00 H new ATOM 0 HB2 LYS A 49 11.212 4.663 -6.489 1.00 72.12 H new ATOM 0 HB3 LYS A 49 11.132 5.874 -7.752 1.00 72.12 H new ATOM 0 HG2 LYS A 49 13.615 5.991 -7.821 1.00 40.34 H new ATOM 0 HG3 LYS A 49 13.718 4.818 -6.524 1.00 40.34 H new ATOM 0 HD2 LYS A 49 14.067 3.716 -8.712 1.00 20.33 H new ATOM 0 HD3 LYS A 49 12.620 3.099 -7.938 1.00 20.33 H new ATOM 0 HE2 LYS A 49 11.284 4.791 -9.367 1.00 3.21 H new ATOM 0 HE3 LYS A 49 12.766 5.081 -10.257 1.00 3.21 H new ATOM 0 HZ1 LYS A 49 11.135 3.327 -11.125 1.00 35.13 H new ATOM 0 HZ2 LYS A 49 12.787 2.933 -11.102 1.00 35.13 H new ATOM 0 HZ3 LYS A 49 11.752 2.323 -9.902 1.00 35.13 H new ATOM 799 N LYS A 50 11.543 8.719 -7.138 1.00 44.21 N ATOM 800 CA LYS A 50 11.954 10.028 -7.696 1.00 10.30 C ATOM 801 C LYS A 50 11.642 11.203 -6.739 1.00 64.54 C ATOM 802 O LYS A 50 12.013 12.344 -7.025 1.00 22.41 O ATOM 803 CB LYS A 50 11.301 10.225 -9.095 1.00 31.31 C ATOM 804 CG LYS A 50 12.034 9.484 -10.243 1.00 42.12 C ATOM 805 CD LYS A 50 11.377 9.678 -11.643 1.00 24.54 C ATOM 806 CE LYS A 50 10.257 8.662 -11.948 1.00 25.00 C ATOM 807 NZ LYS A 50 9.095 8.753 -11.022 1.00 45.30 N ATOM 0 H LYS A 50 10.603 8.437 -7.418 1.00 44.21 H new ATOM 0 HA LYS A 50 13.038 10.025 -7.812 1.00 10.30 H new ATOM 0 HB2 LYS A 50 10.268 9.879 -9.054 1.00 31.31 H new ATOM 0 HB3 LYS A 50 11.272 11.290 -9.324 1.00 31.31 H new ATOM 0 HG2 LYS A 50 13.066 9.832 -10.286 1.00 42.12 H new ATOM 0 HG3 LYS A 50 12.066 8.419 -10.012 1.00 42.12 H new ATOM 0 HD2 LYS A 50 10.968 10.686 -11.706 1.00 24.54 H new ATOM 0 HD3 LYS A 50 12.147 9.598 -12.410 1.00 24.54 H new ATOM 0 HE2 LYS A 50 9.909 8.815 -12.969 1.00 25.00 H new ATOM 0 HE3 LYS A 50 10.670 7.654 -11.900 1.00 25.00 H new ATOM 0 HZ1 LYS A 50 8.232 8.449 -11.517 1.00 45.30 H new ATOM 0 HZ2 LYS A 50 9.258 8.138 -10.199 1.00 45.30 H new ATOM 0 HZ3 LYS A 50 8.982 9.736 -10.702 1.00 45.30 H new ATOM 821 N GLN A 51 10.945 10.932 -5.618 1.00 12.14 N ATOM 822 CA GLN A 51 10.738 11.924 -4.541 1.00 54.15 C ATOM 823 C GLN A 51 11.918 11.854 -3.546 1.00 34.41 C ATOM 824 O GLN A 51 12.525 10.790 -3.375 1.00 41.43 O ATOM 825 CB GLN A 51 9.415 11.657 -3.770 1.00 35.24 C ATOM 826 CG GLN A 51 8.138 11.657 -4.617 1.00 50.43 C ATOM 827 CD GLN A 51 7.892 12.977 -5.330 1.00 51.13 C ATOM 828 OE1 GLN A 51 8.332 13.181 -6.464 1.00 20.25 O ATOM 829 NE2 GLN A 51 7.202 13.891 -4.662 1.00 1.35 N ATOM 0 H GLN A 51 10.512 10.027 -5.433 1.00 12.14 H new ATOM 0 HA GLN A 51 10.680 12.911 -4.999 1.00 54.15 H new ATOM 0 HB2 GLN A 51 9.497 10.692 -3.270 1.00 35.24 H new ATOM 0 HB3 GLN A 51 9.312 12.412 -2.991 1.00 35.24 H new ATOM 0 HG2 GLN A 51 8.200 10.858 -5.356 1.00 50.43 H new ATOM 0 HG3 GLN A 51 7.285 11.433 -3.977 1.00 50.43 H new ATOM 0 HE21 GLN A 51 6.855 13.684 -3.726 1.00 1.35 H new ATOM 0 HE22 GLN A 51 7.018 14.801 -5.085 1.00 1.35 H new ATOM 838 N GLY A 52 12.208 12.981 -2.872 1.00 13.33 N ATOM 839 CA GLY A 52 13.232 13.044 -1.817 1.00 62.42 C ATOM 840 C GLY A 52 12.645 12.698 -0.451 1.00 34.12 C ATOM 841 O GLY A 52 12.801 13.456 0.514 1.00 22.12 O ATOM 0 H GLY A 52 11.740 13.871 -3.044 1.00 13.33 H new ATOM 0 HA2 GLY A 52 14.042 12.354 -2.052 1.00 62.42 H new ATOM 0 HA3 GLY A 52 13.664 14.044 -1.786 1.00 62.42 H new ATOM 845 N CYS A 53 11.953 11.544 -0.390 1.00 31.31 N ATOM 846 CA CYS A 53 11.178 11.110 0.780 1.00 72.02 C ATOM 847 C CYS A 53 12.085 10.745 1.961 1.00 24.22 C ATOM 848 O CYS A 53 12.677 9.661 1.978 1.00 33.34 O ATOM 849 CB CYS A 53 10.279 9.913 0.409 1.00 44.13 C ATOM 850 SG CYS A 53 9.182 10.244 -0.975 1.00 62.21 S ATOM 0 H CYS A 53 11.919 10.881 -1.164 1.00 31.31 H new ATOM 0 HA CYS A 53 10.553 11.947 1.091 1.00 72.02 H new ATOM 0 HB2 CYS A 53 10.909 9.057 0.167 1.00 44.13 H new ATOM 0 HB3 CYS A 53 9.682 9.634 1.277 1.00 44.13 H new ATOM 0 HG CYS A 53 8.063 9.605 -0.804 1.00 62.21 H new ATOM 856 N LYS A 54 12.203 11.683 2.924 1.00 42.10 N ATOM 857 CA LYS A 54 12.806 11.423 4.244 1.00 63.40 C ATOM 858 C LYS A 54 12.089 10.246 4.908 1.00 72.24 C ATOM 859 O LYS A 54 12.722 9.353 5.478 1.00 3.22 O ATOM 860 CB LYS A 54 12.696 12.670 5.158 1.00 35.52 C ATOM 861 CG LYS A 54 13.491 13.890 4.670 1.00 1.33 C ATOM 862 CD LYS A 54 13.374 15.090 5.643 1.00 75.34 C ATOM 863 CE LYS A 54 14.188 16.310 5.185 1.00 0.34 C ATOM 864 NZ LYS A 54 15.639 16.014 5.083 1.00 33.21 N ATOM 0 H LYS A 54 11.881 12.644 2.806 1.00 42.10 H new ATOM 0 HA LYS A 54 13.861 11.188 4.101 1.00 63.40 H new ATOM 0 HB2 LYS A 54 11.646 12.948 5.246 1.00 35.52 H new ATOM 0 HB3 LYS A 54 13.041 12.404 6.157 1.00 35.52 H new ATOM 0 HG2 LYS A 54 14.540 13.617 4.557 1.00 1.33 H new ATOM 0 HG3 LYS A 54 13.131 14.186 3.685 1.00 1.33 H new ATOM 0 HD2 LYS A 54 12.326 15.373 5.739 1.00 75.34 H new ATOM 0 HD3 LYS A 54 13.713 14.784 6.633 1.00 75.34 H new ATOM 0 HE2 LYS A 54 13.819 16.647 4.216 1.00 0.34 H new ATOM 0 HE3 LYS A 54 14.035 17.130 5.887 1.00 0.34 H new ATOM 0 HZ1 LYS A 54 16.161 16.895 4.904 1.00 33.21 H new ATOM 0 HZ2 LYS A 54 15.970 15.590 5.973 1.00 33.21 H new ATOM 0 HZ3 LYS A 54 15.803 15.349 4.301 1.00 33.21 H new ATOM 878 N ARG A 55 10.751 10.256 4.794 1.00 24.23 N ATOM 879 CA ARG A 55 9.908 9.164 5.273 1.00 23.40 C ATOM 880 C ARG A 55 8.696 9.009 4.350 1.00 11.43 C ATOM 881 O ARG A 55 8.211 9.991 3.779 1.00 62.30 O ATOM 882 CB ARG A 55 9.473 9.409 6.752 1.00 43.22 C ATOM 883 CG ARG A 55 9.170 8.126 7.567 1.00 14.45 C ATOM 884 CD ARG A 55 10.442 7.335 7.972 1.00 13.23 C ATOM 885 NE ARG A 55 11.284 6.897 6.829 1.00 13.21 N ATOM 886 CZ ARG A 55 11.416 5.636 6.370 1.00 65.33 C ATOM 887 NH1 ARG A 55 10.776 4.618 6.939 1.00 71.01 N ATOM 888 NH2 ARG A 55 12.202 5.405 5.334 1.00 35.55 N ATOM 0 H ARG A 55 10.230 11.022 4.367 1.00 24.23 H new ATOM 0 HA ARG A 55 10.478 8.235 5.254 1.00 23.40 H new ATOM 0 HB2 ARG A 55 10.261 9.966 7.259 1.00 43.22 H new ATOM 0 HB3 ARG A 55 8.585 10.041 6.754 1.00 43.22 H new ATOM 0 HG2 ARG A 55 8.619 8.399 8.467 1.00 14.45 H new ATOM 0 HG3 ARG A 55 8.520 7.477 6.980 1.00 14.45 H new ATOM 0 HD2 ARG A 55 11.045 7.956 8.635 1.00 13.23 H new ATOM 0 HD3 ARG A 55 10.142 6.457 8.544 1.00 13.23 H new ATOM 0 HE ARG A 55 11.814 7.621 6.344 1.00 13.21 H new ATOM 0 HH11 ARG A 55 10.168 4.782 7.742 1.00 71.01 H new ATOM 0 HH12 ARG A 55 10.893 3.673 6.573 1.00 71.01 H new ATOM 0 HH21 ARG A 55 12.701 6.176 4.890 1.00 35.55 H new ATOM 0 HH22 ARG A 55 12.310 4.455 4.978 1.00 35.55 H new ATOM 902 N SER A 56 8.233 7.768 4.192 1.00 34.40 N ATOM 903 CA SER A 56 7.050 7.432 3.390 1.00 0.41 C ATOM 904 C SER A 56 6.096 6.595 4.248 1.00 21.12 C ATOM 905 O SER A 56 6.544 5.689 4.964 1.00 34.34 O ATOM 906 CB SER A 56 7.483 6.659 2.118 1.00 5.23 C ATOM 907 OG SER A 56 8.261 5.510 2.443 1.00 42.14 O ATOM 0 H SER A 56 8.674 6.955 4.623 1.00 34.40 H new ATOM 0 HA SER A 56 6.536 8.339 3.072 1.00 0.41 H new ATOM 0 HB2 SER A 56 6.599 6.354 1.558 1.00 5.23 H new ATOM 0 HB3 SER A 56 8.060 7.318 1.469 1.00 5.23 H new ATOM 0 HG SER A 56 8.516 5.044 1.619 1.00 42.14 H new ATOM 913 N ARG A 57 4.794 6.888 4.177 1.00 74.34 N ATOM 914 CA ARG A 57 3.768 6.164 4.934 1.00 34.44 C ATOM 915 C ARG A 57 2.642 5.776 3.974 1.00 60.32 C ATOM 916 O ARG A 57 1.947 6.655 3.450 1.00 1.14 O ATOM 917 CB ARG A 57 3.201 7.033 6.093 1.00 61.45 C ATOM 918 CG ARG A 57 2.422 6.224 7.172 1.00 21.10 C ATOM 919 CD ARG A 57 1.333 7.033 7.897 1.00 73.43 C ATOM 920 NE ARG A 57 0.081 7.081 7.111 1.00 54.40 N ATOM 921 CZ ARG A 57 -0.803 8.088 7.101 1.00 32.11 C ATOM 922 NH1 ARG A 57 -0.599 9.181 7.824 1.00 71.54 N ATOM 923 NH2 ARG A 57 -1.916 7.973 6.395 1.00 63.35 N ATOM 0 H ARG A 57 4.421 7.635 3.592 1.00 74.34 H new ATOM 0 HA ARG A 57 4.214 5.274 5.378 1.00 34.44 H new ATOM 0 HB2 ARG A 57 4.025 7.560 6.574 1.00 61.45 H new ATOM 0 HB3 ARG A 57 2.539 7.791 5.674 1.00 61.45 H new ATOM 0 HG2 ARG A 57 1.961 5.357 6.699 1.00 21.10 H new ATOM 0 HG3 ARG A 57 3.130 5.846 7.909 1.00 21.10 H new ATOM 0 HD2 ARG A 57 1.135 6.587 8.872 1.00 73.43 H new ATOM 0 HD3 ARG A 57 1.690 8.047 8.077 1.00 73.43 H new ATOM 0 HE ARG A 57 -0.129 6.274 6.523 1.00 54.40 H new ATOM 0 HH11 ARG A 57 0.240 9.263 8.398 1.00 71.54 H new ATOM 0 HH12 ARG A 57 -1.281 9.939 7.806 1.00 71.54 H new ATOM 0 HH21 ARG A 57 -2.097 7.122 5.863 1.00 63.35 H new ATOM 0 HH22 ARG A 57 -2.593 8.736 6.383 1.00 63.35 H new ATOM 937 N THR A 58 2.473 4.474 3.726 1.00 22.24 N ATOM 938 CA THR A 58 1.398 3.965 2.871 1.00 71.34 C ATOM 939 C THR A 58 0.316 3.338 3.755 1.00 61.32 C ATOM 940 O THR A 58 0.611 2.524 4.637 1.00 2.15 O ATOM 941 CB THR A 58 1.917 2.918 1.834 1.00 33.45 C ATOM 942 OG1 THR A 58 3.090 3.434 1.183 1.00 44.32 O ATOM 943 CG2 THR A 58 0.850 2.593 0.764 1.00 72.12 C ATOM 0 H THR A 58 3.075 3.746 4.111 1.00 22.24 H new ATOM 0 HA THR A 58 0.988 4.800 2.304 1.00 71.34 H new ATOM 0 HB THR A 58 2.148 2.000 2.374 1.00 33.45 H new ATOM 0 HG1 THR A 58 3.830 3.471 1.824 1.00 44.32 H new ATOM 0 HG21 THR A 58 1.250 1.861 0.062 1.00 72.12 H new ATOM 0 HG22 THR A 58 -0.038 2.185 1.247 1.00 72.12 H new ATOM 0 HG23 THR A 58 0.584 3.504 0.227 1.00 72.12 H new ATOM 951 N SER A 59 -0.924 3.744 3.518 1.00 72.15 N ATOM 952 CA SER A 59 -2.094 3.284 4.255 1.00 62.31 C ATOM 953 C SER A 59 -3.142 2.802 3.241 1.00 65.33 C ATOM 954 O SER A 59 -3.597 3.581 2.420 1.00 23.20 O ATOM 955 CB SER A 59 -2.637 4.461 5.101 1.00 51.30 C ATOM 956 OG SER A 59 -1.652 4.950 5.995 1.00 60.15 O ATOM 0 H SER A 59 -1.150 4.420 2.789 1.00 72.15 H new ATOM 0 HA SER A 59 -1.845 2.460 4.924 1.00 62.31 H new ATOM 0 HB2 SER A 59 -2.964 5.265 4.442 1.00 51.30 H new ATOM 0 HB3 SER A 59 -3.512 4.134 5.663 1.00 51.30 H new ATOM 0 HG SER A 59 -2.088 5.326 6.788 1.00 60.15 H new ATOM 962 N ILE A 60 -3.513 1.520 3.302 1.00 63.33 N ATOM 963 CA ILE A 60 -4.512 0.912 2.394 1.00 24.51 C ATOM 964 C ILE A 60 -5.702 0.399 3.214 1.00 43.53 C ATOM 965 O ILE A 60 -5.505 -0.178 4.280 1.00 11.21 O ATOM 966 CB ILE A 60 -3.880 -0.256 1.545 1.00 4.33 C ATOM 967 CG1 ILE A 60 -2.819 0.297 0.541 1.00 73.41 C ATOM 968 CG2 ILE A 60 -4.959 -1.079 0.803 1.00 60.30 C ATOM 969 CD1 ILE A 60 -2.234 -0.753 -0.386 1.00 12.13 C ATOM 0 H ILE A 60 -3.131 0.864 3.984 1.00 63.33 H new ATOM 0 HA ILE A 60 -4.856 1.675 1.695 1.00 24.51 H new ATOM 0 HB ILE A 60 -3.379 -0.928 2.242 1.00 4.33 H new ATOM 0 HG12 ILE A 60 -3.278 1.081 -0.061 1.00 73.41 H new ATOM 0 HG13 ILE A 60 -2.009 0.760 1.104 1.00 73.41 H new ATOM 0 HG21 ILE A 60 -4.481 -1.873 0.230 1.00 60.30 H new ATOM 0 HG22 ILE A 60 -5.645 -1.517 1.528 1.00 60.30 H new ATOM 0 HG23 ILE A 60 -5.513 -0.427 0.127 1.00 60.30 H new ATOM 0 HD11 ILE A 60 -1.506 -0.287 -1.051 1.00 12.13 H new ATOM 0 HD12 ILE A 60 -1.743 -1.527 0.204 1.00 12.13 H new ATOM 0 HD13 ILE A 60 -3.032 -1.201 -0.978 1.00 12.13 H new ATOM 981 N THR A 61 -6.931 0.626 2.716 1.00 71.04 N ATOM 982 CA THR A 61 -8.163 0.206 3.389 1.00 25.22 C ATOM 983 C THR A 61 -8.237 -1.332 3.537 1.00 5.12 C ATOM 984 O THR A 61 -8.318 -2.063 2.541 1.00 60.14 O ATOM 985 CB THR A 61 -9.413 0.732 2.627 1.00 64.51 C ATOM 986 OG1 THR A 61 -9.306 2.152 2.485 1.00 3.43 O ATOM 987 CG2 THR A 61 -10.726 0.387 3.346 1.00 12.24 C ATOM 0 H THR A 61 -7.093 1.108 1.832 1.00 71.04 H new ATOM 0 HA THR A 61 -8.151 0.639 4.389 1.00 25.22 H new ATOM 0 HB THR A 61 -9.440 0.244 1.652 1.00 64.51 H new ATOM 0 HG1 THR A 61 -10.203 2.547 2.465 1.00 3.43 H new ATOM 0 HG21 THR A 61 -11.568 0.776 2.773 1.00 12.24 H new ATOM 0 HG22 THR A 61 -10.818 -0.695 3.436 1.00 12.24 H new ATOM 0 HG23 THR A 61 -10.725 0.835 4.340 1.00 12.24 H new ATOM 995 N ALA A 62 -8.196 -1.788 4.792 1.00 33.42 N ATOM 996 CA ALA A 62 -8.310 -3.192 5.163 1.00 0.52 C ATOM 997 C ALA A 62 -9.078 -3.278 6.480 1.00 2.41 C ATOM 998 O ALA A 62 -8.541 -2.941 7.535 1.00 71.21 O ATOM 999 CB ALA A 62 -6.920 -3.836 5.292 1.00 55.23 C ATOM 0 H ALA A 62 -8.079 -1.171 5.596 1.00 33.42 H new ATOM 0 HA ALA A 62 -8.847 -3.739 4.388 1.00 0.52 H new ATOM 0 HB1 ALA A 62 -7.029 -4.884 5.570 1.00 55.23 H new ATOM 0 HB2 ALA A 62 -6.397 -3.766 4.338 1.00 55.23 H new ATOM 0 HB3 ALA A 62 -6.347 -3.315 6.059 1.00 55.23 H new ATOM 1005 N ARG A 63 -10.356 -3.650 6.395 1.00 53.12 N ATOM 1006 CA ARG A 63 -11.182 -3.952 7.582 1.00 73.01 C ATOM 1007 C ARG A 63 -11.195 -5.479 7.796 1.00 33.03 C ATOM 1008 O ARG A 63 -11.143 -5.959 8.930 1.00 33.53 O ATOM 1009 CB ARG A 63 -12.639 -3.393 7.452 1.00 73.25 C ATOM 1010 CG ARG A 63 -13.453 -3.896 6.222 1.00 5.45 C ATOM 1011 CD ARG A 63 -13.240 -3.057 4.951 1.00 75.44 C ATOM 1012 NE ARG A 63 -13.827 -1.715 5.100 1.00 74.40 N ATOM 1013 CZ ARG A 63 -13.935 -0.798 4.135 1.00 52.11 C ATOM 1014 NH1 ARG A 63 -13.494 -1.046 2.902 1.00 32.34 N ATOM 1015 NH2 ARG A 63 -14.481 0.376 4.403 1.00 0.30 N ATOM 0 H ARG A 63 -10.853 -3.752 5.510 1.00 53.12 H new ATOM 0 HA ARG A 63 -10.743 -3.456 8.447 1.00 73.01 H new ATOM 0 HB2 ARG A 63 -13.189 -3.651 8.357 1.00 73.25 H new ATOM 0 HB3 ARG A 63 -12.588 -2.305 7.409 1.00 73.25 H new ATOM 0 HG2 ARG A 63 -13.177 -4.930 6.014 1.00 5.45 H new ATOM 0 HG3 ARG A 63 -14.513 -3.893 6.474 1.00 5.45 H new ATOM 0 HD2 ARG A 63 -12.174 -2.970 4.743 1.00 75.44 H new ATOM 0 HD3 ARG A 63 -13.691 -3.563 4.097 1.00 75.44 H new ATOM 0 HE ARG A 63 -14.183 -1.463 6.022 1.00 74.40 H new ATOM 0 HH11 ARG A 63 -13.067 -1.946 2.685 1.00 32.34 H new ATOM 0 HH12 ARG A 63 -13.584 -0.335 2.176 1.00 32.34 H new ATOM 0 HH21 ARG A 63 -14.818 0.579 5.344 1.00 0.30 H new ATOM 0 HH22 ARG A 63 -14.565 1.079 3.669 1.00 0.30 H new ATOM 1029 N THR A 64 -11.241 -6.219 6.677 1.00 51.43 N ATOM 1030 CA THR A 64 -11.248 -7.685 6.642 1.00 2.11 C ATOM 1031 C THR A 64 -9.811 -8.235 6.805 1.00 14.42 C ATOM 1032 O THR A 64 -8.849 -7.626 6.324 1.00 2.43 O ATOM 1033 CB THR A 64 -11.908 -8.153 5.306 1.00 22.03 C ATOM 1034 OG1 THR A 64 -11.460 -7.310 4.230 1.00 34.32 O ATOM 1035 CG2 THR A 64 -13.445 -8.106 5.372 1.00 14.41 C ATOM 0 H THR A 64 -11.275 -5.800 5.748 1.00 51.43 H new ATOM 0 HA THR A 64 -11.833 -8.079 7.473 1.00 2.11 H new ATOM 0 HB THR A 64 -11.609 -9.187 5.136 1.00 22.03 H new ATOM 0 HG1 THR A 64 -11.187 -7.866 3.471 1.00 34.32 H new ATOM 0 HG21 THR A 64 -13.860 -8.440 4.421 1.00 14.41 H new ATOM 0 HG22 THR A 64 -13.795 -8.760 6.171 1.00 14.41 H new ATOM 0 HG23 THR A 64 -13.770 -7.085 5.571 1.00 14.41 H new ATOM 1043 N LYS A 65 -9.692 -9.395 7.475 1.00 53.33 N ATOM 1044 CA LYS A 65 -8.413 -9.889 8.032 1.00 24.22 C ATOM 1045 C LYS A 65 -7.495 -10.556 6.977 1.00 34.45 C ATOM 1046 O LYS A 65 -6.268 -10.560 7.142 1.00 73.45 O ATOM 1047 CB LYS A 65 -8.705 -10.857 9.208 1.00 24.22 C ATOM 1048 CG LYS A 65 -9.435 -12.166 8.816 1.00 53.45 C ATOM 1049 CD LYS A 65 -9.821 -13.038 10.034 1.00 71.15 C ATOM 1050 CE LYS A 65 -8.610 -13.478 10.877 1.00 64.05 C ATOM 1051 NZ LYS A 65 -9.020 -14.256 12.080 1.00 70.54 N ATOM 0 H LYS A 65 -10.479 -10.020 7.648 1.00 53.33 H new ATOM 0 HA LYS A 65 -7.859 -9.022 8.392 1.00 24.22 H new ATOM 0 HB2 LYS A 65 -7.761 -11.115 9.688 1.00 24.22 H new ATOM 0 HB3 LYS A 65 -9.307 -10.332 9.950 1.00 24.22 H new ATOM 0 HG2 LYS A 65 -10.336 -11.918 8.255 1.00 53.45 H new ATOM 0 HG3 LYS A 65 -8.795 -12.746 8.151 1.00 53.45 H new ATOM 0 HD2 LYS A 65 -10.512 -12.481 10.667 1.00 71.15 H new ATOM 0 HD3 LYS A 65 -10.352 -13.923 9.684 1.00 71.15 H new ATOM 0 HE2 LYS A 65 -7.942 -14.083 10.264 1.00 64.05 H new ATOM 0 HE3 LYS A 65 -8.047 -12.599 11.189 1.00 64.05 H new ATOM 0 HZ1 LYS A 65 -8.175 -14.533 12.619 1.00 70.54 H new ATOM 0 HZ2 LYS A 65 -9.636 -13.670 12.679 1.00 70.54 H new ATOM 0 HZ3 LYS A 65 -9.535 -15.109 11.783 1.00 70.54 H new ATOM 1065 N LYS A 66 -8.091 -11.139 5.916 1.00 61.54 N ATOM 1066 CA LYS A 66 -7.329 -11.693 4.767 1.00 34.05 C ATOM 1067 C LYS A 66 -6.677 -10.538 4.000 1.00 63.11 C ATOM 1068 O LYS A 66 -5.504 -10.611 3.620 1.00 2.41 O ATOM 1069 CB LYS A 66 -8.244 -12.541 3.806 1.00 30.52 C ATOM 1070 CG LYS A 66 -8.524 -14.000 4.258 1.00 52.01 C ATOM 1071 CD LYS A 66 -9.229 -14.111 5.632 1.00 10.10 C ATOM 1072 CE LYS A 66 -9.459 -15.565 6.074 1.00 63.10 C ATOM 1073 NZ LYS A 66 -8.181 -16.324 6.159 1.00 44.31 N ATOM 0 H LYS A 66 -9.102 -11.241 5.827 1.00 61.54 H new ATOM 0 HA LYS A 66 -6.564 -12.366 5.153 1.00 34.05 H new ATOM 0 HB2 LYS A 66 -9.198 -12.025 3.694 1.00 30.52 H new ATOM 0 HB3 LYS A 66 -7.778 -12.568 2.821 1.00 30.52 H new ATOM 0 HG2 LYS A 66 -9.140 -14.491 3.505 1.00 52.01 H new ATOM 0 HG3 LYS A 66 -7.580 -14.543 4.301 1.00 52.01 H new ATOM 0 HD2 LYS A 66 -8.629 -13.599 6.384 1.00 10.10 H new ATOM 0 HD3 LYS A 66 -10.188 -13.596 5.585 1.00 10.10 H new ATOM 0 HE2 LYS A 66 -9.954 -15.576 7.045 1.00 63.10 H new ATOM 0 HE3 LYS A 66 -10.129 -16.058 5.369 1.00 63.10 H new ATOM 0 HZ1 LYS A 66 -8.345 -17.227 6.649 1.00 44.31 H new ATOM 0 HZ2 LYS A 66 -7.823 -16.510 5.200 1.00 44.31 H new ATOM 0 HZ3 LYS A 66 -7.480 -15.766 6.687 1.00 44.31 H new ATOM 1087 N GLU A 67 -7.472 -9.473 3.816 1.00 32.23 N ATOM 1088 CA GLU A 67 -7.056 -8.232 3.146 1.00 41.42 C ATOM 1089 C GLU A 67 -5.964 -7.515 3.952 1.00 44.01 C ATOM 1090 O GLU A 67 -5.020 -6.969 3.381 1.00 75.43 O ATOM 1091 CB GLU A 67 -8.295 -7.326 2.917 1.00 14.31 C ATOM 1092 CG GLU A 67 -9.213 -7.777 1.745 1.00 23.10 C ATOM 1093 CD GLU A 67 -9.624 -9.268 1.780 1.00 53.40 C ATOM 1094 OE1 GLU A 67 -10.393 -9.665 2.682 1.00 53.35 O ATOM 1095 OE2 GLU A 67 -9.155 -10.056 0.925 1.00 62.32 O ATOM 0 H GLU A 67 -8.441 -9.450 4.135 1.00 32.23 H new ATOM 0 HA GLU A 67 -6.625 -8.473 2.174 1.00 41.42 H new ATOM 0 HB2 GLU A 67 -8.884 -7.298 3.834 1.00 14.31 H new ATOM 0 HB3 GLU A 67 -7.955 -6.308 2.725 1.00 14.31 H new ATOM 0 HG2 GLU A 67 -10.115 -7.166 1.753 1.00 23.10 H new ATOM 0 HG3 GLU A 67 -8.701 -7.578 0.804 1.00 23.10 H new ATOM 1102 N ALA A 68 -6.094 -7.573 5.291 1.00 3.23 N ATOM 1103 CA ALA A 68 -5.111 -7.020 6.240 1.00 1.53 C ATOM 1104 C ALA A 68 -3.718 -7.608 6.008 1.00 33.23 C ATOM 1105 O ALA A 68 -2.725 -6.889 6.018 1.00 3.23 O ATOM 1106 CB ALA A 68 -5.578 -7.300 7.675 1.00 23.03 C ATOM 0 H ALA A 68 -6.894 -8.010 5.749 1.00 3.23 H new ATOM 0 HA ALA A 68 -5.042 -5.944 6.081 1.00 1.53 H new ATOM 0 HB1 ALA A 68 -4.853 -6.892 8.380 1.00 23.03 H new ATOM 0 HB2 ALA A 68 -6.548 -6.831 7.840 1.00 23.03 H new ATOM 0 HB3 ALA A 68 -5.665 -8.376 7.826 1.00 23.03 H new ATOM 1112 N GLU A 69 -3.680 -8.926 5.771 1.00 34.11 N ATOM 1113 CA GLU A 69 -2.435 -9.688 5.604 1.00 41.42 C ATOM 1114 C GLU A 69 -1.827 -9.533 4.201 1.00 34.11 C ATOM 1115 O GLU A 69 -0.623 -9.286 4.077 1.00 43.23 O ATOM 1116 CB GLU A 69 -2.699 -11.179 5.926 1.00 41.41 C ATOM 1117 CG GLU A 69 -2.911 -11.471 7.422 1.00 42.54 C ATOM 1118 CD GLU A 69 -1.706 -11.058 8.295 1.00 0.43 C ATOM 1119 OE1 GLU A 69 -0.673 -11.761 8.279 1.00 15.42 O ATOM 1120 OE2 GLU A 69 -1.775 -10.021 8.989 1.00 50.04 O ATOM 0 H GLU A 69 -4.520 -9.499 5.689 1.00 34.11 H new ATOM 0 HA GLU A 69 -1.701 -9.283 6.301 1.00 41.42 H new ATOM 0 HB2 GLU A 69 -3.579 -11.508 5.374 1.00 41.41 H new ATOM 0 HB3 GLU A 69 -1.858 -11.772 5.567 1.00 41.41 H new ATOM 0 HG2 GLU A 69 -3.800 -10.943 7.767 1.00 42.54 H new ATOM 0 HG3 GLU A 69 -3.101 -12.536 7.555 1.00 42.54 H new ATOM 1127 N LYS A 70 -2.657 -9.690 3.152 1.00 51.03 N ATOM 1128 CA LYS A 70 -2.171 -9.711 1.759 1.00 63.01 C ATOM 1129 C LYS A 70 -1.691 -8.311 1.318 1.00 44.21 C ATOM 1130 O LYS A 70 -0.656 -8.203 0.671 1.00 31.52 O ATOM 1131 CB LYS A 70 -3.256 -10.285 0.804 1.00 32.12 C ATOM 1132 CG LYS A 70 -4.556 -9.455 0.706 1.00 42.12 C ATOM 1133 CD LYS A 70 -5.732 -10.208 0.033 1.00 74.15 C ATOM 1134 CE LYS A 70 -5.458 -10.616 -1.422 1.00 1.23 C ATOM 1135 NZ LYS A 70 -6.601 -11.386 -1.995 1.00 4.23 N ATOM 0 H LYS A 70 -3.667 -9.804 3.243 1.00 51.03 H new ATOM 0 HA LYS A 70 -1.309 -10.375 1.705 1.00 63.01 H new ATOM 0 HB2 LYS A 70 -2.827 -10.376 -0.194 1.00 32.12 H new ATOM 0 HB3 LYS A 70 -3.511 -11.292 1.134 1.00 32.12 H new ATOM 0 HG2 LYS A 70 -4.858 -9.151 1.708 1.00 42.12 H new ATOM 0 HG3 LYS A 70 -4.352 -8.543 0.144 1.00 42.12 H new ATOM 0 HD2 LYS A 70 -5.958 -11.102 0.614 1.00 74.15 H new ATOM 0 HD3 LYS A 70 -6.619 -9.576 0.062 1.00 74.15 H new ATOM 0 HE2 LYS A 70 -5.279 -9.725 -2.024 1.00 1.23 H new ATOM 0 HE3 LYS A 70 -4.551 -11.219 -1.468 1.00 1.23 H new ATOM 0 HZ1 LYS A 70 -6.685 -11.179 -3.011 1.00 4.23 H new ATOM 0 HZ2 LYS A 70 -6.435 -12.404 -1.862 1.00 4.23 H new ATOM 0 HZ3 LYS A 70 -7.481 -11.113 -1.512 1.00 4.23 H new ATOM 1149 N PHE A 71 -2.431 -7.245 1.722 1.00 70.50 N ATOM 1150 CA PHE A 71 -2.059 -5.842 1.404 1.00 42.13 C ATOM 1151 C PHE A 71 -0.779 -5.461 2.159 1.00 24.33 C ATOM 1152 O PHE A 71 0.097 -4.797 1.602 1.00 34.23 O ATOM 1153 CB PHE A 71 -3.206 -4.836 1.742 1.00 11.30 C ATOM 1154 CG PHE A 71 -4.553 -5.074 1.030 1.00 73.24 C ATOM 1155 CD1 PHE A 71 -4.682 -5.942 -0.065 1.00 62.20 C ATOM 1156 CD2 PHE A 71 -5.707 -4.423 1.477 1.00 44.23 C ATOM 1157 CE1 PHE A 71 -5.904 -6.141 -0.679 1.00 52.01 C ATOM 1158 CE2 PHE A 71 -6.925 -4.624 0.857 1.00 72.43 C ATOM 1159 CZ PHE A 71 -7.024 -5.484 -0.215 1.00 63.20 C ATOM 0 H PHE A 71 -3.288 -7.331 2.268 1.00 70.50 H new ATOM 0 HA PHE A 71 -1.884 -5.781 0.330 1.00 42.13 H new ATOM 0 HB2 PHE A 71 -3.378 -4.862 2.818 1.00 11.30 H new ATOM 0 HB3 PHE A 71 -2.863 -3.831 1.498 1.00 11.30 H new ATOM 0 HD1 PHE A 71 -3.811 -6.464 -0.434 1.00 62.20 H new ATOM 0 HD2 PHE A 71 -5.645 -3.752 2.321 1.00 44.23 H new ATOM 0 HE1 PHE A 71 -5.982 -6.811 -1.522 1.00 52.01 H new ATOM 0 HE2 PHE A 71 -7.803 -4.105 1.214 1.00 72.43 H new ATOM 0 HZ PHE A 71 -7.980 -5.644 -0.692 1.00 63.20 H new ATOM 1169 N ALA A 72 -0.684 -5.922 3.426 1.00 1.42 N ATOM 1170 CA ALA A 72 0.498 -5.718 4.278 1.00 11.11 C ATOM 1171 C ALA A 72 1.752 -6.319 3.633 1.00 65.30 C ATOM 1172 O ALA A 72 2.780 -5.655 3.552 1.00 74.51 O ATOM 1173 CB ALA A 72 0.269 -6.335 5.662 1.00 44.01 C ATOM 0 H ALA A 72 -1.430 -6.447 3.883 1.00 1.42 H new ATOM 0 HA ALA A 72 0.653 -4.645 4.389 1.00 11.11 H new ATOM 0 HB1 ALA A 72 1.152 -6.176 6.282 1.00 44.01 H new ATOM 0 HB2 ALA A 72 -0.594 -5.864 6.132 1.00 44.01 H new ATOM 0 HB3 ALA A 72 0.086 -7.404 5.558 1.00 44.01 H new ATOM 1179 N ALA A 73 1.624 -7.570 3.149 1.00 32.13 N ATOM 1180 CA ALA A 73 2.718 -8.307 2.498 1.00 32.01 C ATOM 1181 C ALA A 73 3.251 -7.537 1.274 1.00 22.41 C ATOM 1182 O ALA A 73 4.465 -7.343 1.134 1.00 31.14 O ATOM 1183 CB ALA A 73 2.230 -9.713 2.102 1.00 42.21 C ATOM 0 H ALA A 73 0.753 -8.098 3.200 1.00 32.13 H new ATOM 0 HA ALA A 73 3.544 -8.408 3.202 1.00 32.01 H new ATOM 0 HB1 ALA A 73 3.042 -10.258 1.620 1.00 42.21 H new ATOM 0 HB2 ALA A 73 1.911 -10.252 2.994 1.00 42.21 H new ATOM 0 HB3 ALA A 73 1.391 -9.626 1.411 1.00 42.21 H new ATOM 1189 N ILE A 74 2.308 -7.067 0.433 1.00 40.45 N ATOM 1190 CA ILE A 74 2.600 -6.295 -0.785 1.00 45.25 C ATOM 1191 C ILE A 74 3.313 -4.963 -0.445 1.00 35.42 C ATOM 1192 O ILE A 74 4.234 -4.565 -1.149 1.00 1.22 O ATOM 1193 CB ILE A 74 1.274 -6.016 -1.601 1.00 35.12 C ATOM 1194 CG1 ILE A 74 0.596 -7.356 -2.044 1.00 73.45 C ATOM 1195 CG2 ILE A 74 1.541 -5.118 -2.831 1.00 31.01 C ATOM 1196 CD1 ILE A 74 -0.789 -7.197 -2.664 1.00 54.13 C ATOM 0 H ILE A 74 1.311 -7.216 0.585 1.00 40.45 H new ATOM 0 HA ILE A 74 3.271 -6.891 -1.404 1.00 45.25 H new ATOM 0 HB ILE A 74 0.592 -5.484 -0.938 1.00 35.12 H new ATOM 0 HG12 ILE A 74 1.246 -7.855 -2.763 1.00 73.45 H new ATOM 0 HG13 ILE A 74 0.517 -8.011 -1.177 1.00 73.45 H new ATOM 0 HG21 ILE A 74 0.607 -4.948 -3.367 1.00 31.01 H new ATOM 0 HG22 ILE A 74 1.950 -4.163 -2.502 1.00 31.01 H new ATOM 0 HG23 ILE A 74 2.255 -5.610 -3.492 1.00 31.01 H new ATOM 0 HD11 ILE A 74 -1.179 -8.177 -2.939 1.00 54.13 H new ATOM 0 HD12 ILE A 74 -1.459 -6.729 -1.943 1.00 54.13 H new ATOM 0 HD13 ILE A 74 -0.720 -6.571 -3.554 1.00 54.13 H new ATOM 1208 N LEU A 75 2.890 -4.298 0.650 1.00 64.45 N ATOM 1209 CA LEU A 75 3.459 -2.993 1.061 1.00 13.54 C ATOM 1210 C LEU A 75 4.867 -3.138 1.674 1.00 21.55 C ATOM 1211 O LEU A 75 5.697 -2.237 1.529 1.00 52.11 O ATOM 1212 CB LEU A 75 2.502 -2.257 2.029 1.00 0.34 C ATOM 1213 CG LEU A 75 1.143 -1.792 1.427 1.00 41.25 C ATOM 1214 CD1 LEU A 75 0.288 -1.051 2.484 1.00 52.41 C ATOM 1215 CD2 LEU A 75 1.365 -0.936 0.157 1.00 34.43 C ATOM 0 H LEU A 75 2.155 -4.642 1.268 1.00 64.45 H new ATOM 0 HA LEU A 75 3.567 -2.390 0.160 1.00 13.54 H new ATOM 0 HB2 LEU A 75 2.296 -2.914 2.874 1.00 0.34 H new ATOM 0 HB3 LEU A 75 3.019 -1.383 2.424 1.00 0.34 H new ATOM 0 HG LEU A 75 0.583 -2.677 1.127 1.00 41.25 H new ATOM 0 HD11 LEU A 75 -0.655 -0.738 2.035 1.00 52.41 H new ATOM 0 HD12 LEU A 75 0.087 -1.718 3.322 1.00 52.41 H new ATOM 0 HD13 LEU A 75 0.829 -0.174 2.840 1.00 52.41 H new ATOM 0 HD21 LEU A 75 0.401 -0.624 -0.244 1.00 34.43 H new ATOM 0 HD22 LEU A 75 1.955 -0.055 0.410 1.00 34.43 H new ATOM 0 HD23 LEU A 75 1.896 -1.525 -0.591 1.00 34.43 H new ATOM 1227 N ILE A 76 5.124 -4.277 2.353 1.00 22.41 N ATOM 1228 CA ILE A 76 6.477 -4.649 2.810 1.00 14.12 C ATOM 1229 C ILE A 76 7.384 -4.835 1.569 1.00 50.20 C ATOM 1230 O ILE A 76 8.551 -4.427 1.578 1.00 51.14 O ATOM 1231 CB ILE A 76 6.453 -5.951 3.749 1.00 10.02 C ATOM 1232 CG1 ILE A 76 6.230 -5.585 5.264 1.00 41.24 C ATOM 1233 CG2 ILE A 76 7.733 -6.819 3.612 1.00 53.32 C ATOM 1234 CD1 ILE A 76 4.969 -4.814 5.591 1.00 61.15 C ATOM 0 H ILE A 76 4.405 -4.958 2.597 1.00 22.41 H new ATOM 0 HA ILE A 76 6.884 -3.850 3.429 1.00 14.12 H new ATOM 0 HB ILE A 76 5.605 -6.539 3.398 1.00 10.02 H new ATOM 0 HG12 ILE A 76 6.225 -6.509 5.842 1.00 41.24 H new ATOM 0 HG13 ILE A 76 7.085 -5.001 5.604 1.00 41.24 H new ATOM 0 HG21 ILE A 76 7.658 -7.684 4.271 1.00 53.32 H new ATOM 0 HG22 ILE A 76 7.835 -7.156 2.580 1.00 53.32 H new ATOM 0 HG23 ILE A 76 8.605 -6.227 3.889 1.00 53.32 H new ATOM 0 HD11 ILE A 76 4.928 -4.622 6.663 1.00 61.15 H new ATOM 0 HD12 ILE A 76 4.972 -3.867 5.052 1.00 61.15 H new ATOM 0 HD13 ILE A 76 4.098 -5.398 5.294 1.00 61.15 H new ATOM 1246 N LYS A 77 6.807 -5.424 0.494 1.00 24.11 N ATOM 1247 CA LYS A 77 7.504 -5.610 -0.793 1.00 10.35 C ATOM 1248 C LYS A 77 7.813 -4.262 -1.480 1.00 13.22 C ATOM 1249 O LYS A 77 8.922 -4.081 -1.959 1.00 13.24 O ATOM 1250 CB LYS A 77 6.695 -6.531 -1.757 1.00 64.21 C ATOM 1251 CG LYS A 77 6.493 -7.995 -1.294 1.00 64.32 C ATOM 1252 CD LYS A 77 7.805 -8.721 -0.930 1.00 41.43 C ATOM 1253 CE LYS A 77 8.855 -8.722 -2.063 1.00 3.21 C ATOM 1254 NZ LYS A 77 8.347 -9.321 -3.324 1.00 3.50 N ATOM 0 H LYS A 77 5.851 -5.780 0.498 1.00 24.11 H new ATOM 0 HA LYS A 77 8.451 -6.099 -0.565 1.00 10.35 H new ATOM 0 HB2 LYS A 77 5.714 -6.083 -1.916 1.00 64.21 H new ATOM 0 HB3 LYS A 77 7.200 -6.544 -2.723 1.00 64.21 H new ATOM 0 HG2 LYS A 77 5.832 -8.004 -0.428 1.00 64.32 H new ATOM 0 HG3 LYS A 77 5.989 -8.550 -2.085 1.00 64.32 H new ATOM 0 HD2 LYS A 77 8.237 -8.249 -0.048 1.00 41.43 H new ATOM 0 HD3 LYS A 77 7.575 -9.752 -0.660 1.00 41.43 H new ATOM 0 HE2 LYS A 77 9.174 -7.698 -2.256 1.00 3.21 H new ATOM 0 HE3 LYS A 77 9.736 -9.273 -1.734 1.00 3.21 H new ATOM 0 HZ1 LYS A 77 9.094 -9.294 -4.047 1.00 3.50 H new ATOM 0 HZ2 LYS A 77 8.067 -10.308 -3.152 1.00 3.50 H new ATOM 0 HZ3 LYS A 77 7.523 -8.781 -3.658 1.00 3.50 H new ATOM 1268 N VAL A 78 6.828 -3.326 -1.497 1.00 12.30 N ATOM 1269 CA VAL A 78 6.970 -1.984 -2.126 1.00 3.02 C ATOM 1270 C VAL A 78 8.126 -1.195 -1.472 1.00 73.41 C ATOM 1271 O VAL A 78 8.957 -0.589 -2.157 1.00 42.04 O ATOM 1272 CB VAL A 78 5.615 -1.162 -2.031 1.00 2.24 C ATOM 1273 CG1 VAL A 78 5.779 0.301 -2.517 1.00 1.03 C ATOM 1274 CG2 VAL A 78 4.486 -1.868 -2.826 1.00 34.23 C ATOM 0 H VAL A 78 5.912 -3.480 -1.075 1.00 12.30 H new ATOM 0 HA VAL A 78 7.203 -2.132 -3.180 1.00 3.02 H new ATOM 0 HB VAL A 78 5.340 -1.127 -0.977 1.00 2.24 H new ATOM 0 HG11 VAL A 78 4.825 0.822 -2.432 1.00 1.03 H new ATOM 0 HG12 VAL A 78 6.524 0.807 -1.903 1.00 1.03 H new ATOM 0 HG13 VAL A 78 6.103 0.305 -3.558 1.00 1.03 H new ATOM 0 HG21 VAL A 78 3.567 -1.287 -2.747 1.00 34.23 H new ATOM 0 HG22 VAL A 78 4.775 -1.949 -3.874 1.00 34.23 H new ATOM 0 HG23 VAL A 78 4.321 -2.865 -2.417 1.00 34.23 H new ATOM 1284 N TYR A 79 8.164 -1.249 -0.136 1.00 63.02 N ATOM 1285 CA TYR A 79 9.204 -0.605 0.687 1.00 31.43 C ATOM 1286 C TYR A 79 10.571 -1.297 0.514 1.00 4.15 C ATOM 1287 O TYR A 79 11.621 -0.648 0.599 1.00 32.31 O ATOM 1288 CB TYR A 79 8.765 -0.602 2.176 1.00 73.34 C ATOM 1289 CG TYR A 79 7.744 0.481 2.558 1.00 72.30 C ATOM 1290 CD1 TYR A 79 6.644 0.781 1.741 1.00 35.23 C ATOM 1291 CD2 TYR A 79 7.889 1.212 3.743 1.00 40.23 C ATOM 1292 CE1 TYR A 79 5.746 1.760 2.092 1.00 12.33 C ATOM 1293 CE2 TYR A 79 6.988 2.191 4.093 1.00 4.14 C ATOM 1294 CZ TYR A 79 5.917 2.456 3.265 1.00 61.53 C ATOM 1295 OH TYR A 79 5.023 3.434 3.604 1.00 54.42 O ATOM 0 H TYR A 79 7.465 -1.747 0.415 1.00 63.02 H new ATOM 0 HA TYR A 79 9.322 0.425 0.350 1.00 31.43 H new ATOM 0 HB2 TYR A 79 8.341 -1.578 2.415 1.00 73.34 H new ATOM 0 HB3 TYR A 79 9.651 -0.478 2.799 1.00 73.34 H new ATOM 0 HD1 TYR A 79 6.501 0.234 0.821 1.00 35.23 H new ATOM 0 HD2 TYR A 79 8.724 1.003 4.395 1.00 40.23 H new ATOM 0 HE1 TYR A 79 4.908 1.982 1.448 1.00 12.33 H new ATOM 0 HE2 TYR A 79 7.118 2.748 5.009 1.00 4.14 H new ATOM 0 HH TYR A 79 4.863 3.410 4.571 1.00 54.42 H new ATOM 1305 N ALA A 80 10.539 -2.615 0.270 1.00 62.13 N ATOM 1306 CA ALA A 80 11.748 -3.414 0.001 1.00 22.32 C ATOM 1307 C ALA A 80 12.316 -3.121 -1.401 1.00 42.01 C ATOM 1308 O ALA A 80 13.525 -3.228 -1.621 1.00 12.12 O ATOM 1309 CB ALA A 80 11.431 -4.903 0.172 1.00 30.25 C ATOM 0 H ALA A 80 9.676 -3.159 0.253 1.00 62.13 H new ATOM 0 HA ALA A 80 12.517 -3.134 0.720 1.00 22.32 H new ATOM 0 HB1 ALA A 80 12.327 -5.491 -0.028 1.00 30.25 H new ATOM 0 HB2 ALA A 80 11.095 -5.089 1.192 1.00 30.25 H new ATOM 0 HB3 ALA A 80 10.645 -5.190 -0.527 1.00 30.25 H new ATOM 1315 N GLU A 81 11.422 -2.754 -2.339 1.00 21.13 N ATOM 1316 CA GLU A 81 11.794 -2.317 -3.696 1.00 11.21 C ATOM 1317 C GLU A 81 12.542 -0.977 -3.632 1.00 54.23 C ATOM 1318 O GLU A 81 13.530 -0.762 -4.340 1.00 31.04 O ATOM 1319 CB GLU A 81 10.529 -2.141 -4.564 1.00 20.13 C ATOM 1320 CG GLU A 81 9.732 -3.422 -4.893 1.00 54.11 C ATOM 1321 CD GLU A 81 10.354 -4.271 -6.010 1.00 63.04 C ATOM 1322 OE1 GLU A 81 10.273 -3.858 -7.185 1.00 34.21 O ATOM 1323 OE2 GLU A 81 10.922 -5.345 -5.728 1.00 52.43 O ATOM 0 H GLU A 81 10.415 -2.753 -2.174 1.00 21.13 H new ATOM 0 HA GLU A 81 12.438 -3.077 -4.138 1.00 11.21 H new ATOM 0 HB2 GLU A 81 9.861 -1.446 -4.056 1.00 20.13 H new ATOM 0 HB3 GLU A 81 10.823 -1.672 -5.503 1.00 20.13 H new ATOM 0 HG2 GLU A 81 9.650 -4.029 -3.991 1.00 54.11 H new ATOM 0 HG3 GLU A 81 8.719 -3.144 -5.183 1.00 54.11 H new ATOM 1330 N LEU A 82 12.018 -0.071 -2.788 1.00 15.24 N ATOM 1331 CA LEU A 82 12.545 1.296 -2.626 1.00 4.34 C ATOM 1332 C LEU A 82 13.800 1.321 -1.734 1.00 43.31 C ATOM 1333 O LEU A 82 14.641 2.217 -1.871 1.00 24.40 O ATOM 1334 CB LEU A 82 11.432 2.201 -2.029 1.00 44.52 C ATOM 1335 CG LEU A 82 10.170 2.382 -2.930 1.00 64.01 C ATOM 1336 CD1 LEU A 82 9.035 3.115 -2.191 1.00 40.30 C ATOM 1337 CD2 LEU A 82 10.540 3.104 -4.243 1.00 45.21 C ATOM 0 H LEU A 82 11.212 -0.268 -2.195 1.00 15.24 H new ATOM 0 HA LEU A 82 12.842 1.673 -3.605 1.00 4.34 H new ATOM 0 HB2 LEU A 82 11.119 1.782 -1.073 1.00 44.52 H new ATOM 0 HB3 LEU A 82 11.856 3.184 -1.823 1.00 44.52 H new ATOM 0 HG LEU A 82 9.797 1.388 -3.178 1.00 64.01 H new ATOM 0 HD11 LEU A 82 8.177 3.219 -2.855 1.00 40.30 H new ATOM 0 HD12 LEU A 82 8.745 2.542 -1.310 1.00 40.30 H new ATOM 0 HD13 LEU A 82 9.379 4.103 -1.884 1.00 40.30 H new ATOM 0 HD21 LEU A 82 9.648 3.221 -4.858 1.00 45.21 H new ATOM 0 HD22 LEU A 82 10.954 4.086 -4.014 1.00 45.21 H new ATOM 0 HD23 LEU A 82 11.280 2.516 -4.786 1.00 45.21 H new ATOM 1349 N GLY A 83 13.919 0.325 -0.838 1.00 3.00 N ATOM 1350 CA GLY A 83 15.010 0.272 0.136 1.00 40.11 C ATOM 1351 C GLY A 83 15.387 -1.153 0.504 1.00 65.42 C ATOM 1352 O GLY A 83 15.860 -1.909 -0.348 1.00 65.13 O ATOM 0 H GLY A 83 13.266 -0.456 -0.773 1.00 3.00 H new ATOM 0 HA2 GLY A 83 15.883 0.782 -0.271 1.00 40.11 H new ATOM 0 HA3 GLY A 83 14.717 0.812 1.036 1.00 40.11 H new ATOM 1356 N TYR A 84 15.163 -1.528 1.778 1.00 32.41 N ATOM 1357 CA TYR A 84 15.563 -2.835 2.336 1.00 22.41 C ATOM 1358 C TYR A 84 14.338 -3.610 2.837 1.00 63.41 C ATOM 1359 O TYR A 84 13.249 -3.048 2.952 1.00 42.42 O ATOM 1360 CB TYR A 84 16.601 -2.623 3.472 1.00 53.45 C ATOM 1361 CG TYR A 84 17.936 -2.069 2.951 1.00 23.13 C ATOM 1362 CD1 TYR A 84 18.964 -2.926 2.540 1.00 42.45 C ATOM 1363 CD2 TYR A 84 18.157 -0.692 2.834 1.00 31.35 C ATOM 1364 CE1 TYR A 84 20.155 -2.432 2.040 1.00 31.23 C ATOM 1365 CE2 TYR A 84 19.348 -0.200 2.338 1.00 53.10 C ATOM 1366 CZ TYR A 84 20.342 -1.070 1.940 1.00 74.04 C ATOM 1367 OH TYR A 84 21.527 -0.574 1.436 1.00 62.53 O ATOM 0 H TYR A 84 14.695 -0.927 2.456 1.00 32.41 H new ATOM 0 HA TYR A 84 16.027 -3.432 1.550 1.00 22.41 H new ATOM 0 HB2 TYR A 84 16.190 -1.936 4.212 1.00 53.45 H new ATOM 0 HB3 TYR A 84 16.778 -3.571 3.980 1.00 53.45 H new ATOM 0 HD1 TYR A 84 18.824 -3.994 2.615 1.00 42.45 H new ATOM 0 HD2 TYR A 84 17.383 -0.003 3.137 1.00 31.35 H new ATOM 0 HE1 TYR A 84 20.935 -3.111 1.729 1.00 31.23 H new ATOM 0 HE2 TYR A 84 19.501 0.866 2.262 1.00 53.10 H new ATOM 0 HH TYR A 84 21.496 0.406 1.432 1.00 62.53 H new ATOM 1377 N ASN A 85 14.546 -4.906 3.142 1.00 45.12 N ATOM 1378 CA ASN A 85 13.475 -5.834 3.591 1.00 74.24 C ATOM 1379 C ASN A 85 13.074 -5.583 5.062 1.00 20.23 C ATOM 1380 O ASN A 85 12.094 -6.168 5.546 1.00 60.31 O ATOM 1381 CB ASN A 85 13.940 -7.312 3.417 1.00 24.01 C ATOM 1382 CG ASN A 85 14.202 -7.700 1.956 1.00 41.33 C ATOM 1383 OD1 ASN A 85 13.541 -7.214 1.039 1.00 42.41 O ATOM 1384 ND2 ASN A 85 15.165 -8.578 1.724 1.00 34.34 N ATOM 0 H ASN A 85 15.464 -5.346 3.085 1.00 45.12 H new ATOM 0 HA ASN A 85 12.599 -5.648 2.970 1.00 74.24 H new ATOM 0 HB2 ASN A 85 14.850 -7.469 3.996 1.00 24.01 H new ATOM 0 HB3 ASN A 85 13.180 -7.975 3.831 1.00 24.01 H new ATOM 0 HD21 ASN A 85 15.373 -8.866 0.768 1.00 34.34 H new ATOM 0 HD22 ASN A 85 15.699 -8.967 2.501 1.00 34.34 H new ATOM 1391 N ASP A 86 13.846 -4.722 5.756 1.00 31.05 N ATOM 1392 CA ASP A 86 13.655 -4.381 7.185 1.00 4.33 C ATOM 1393 C ASP A 86 12.447 -3.459 7.366 1.00 61.43 C ATOM 1394 O ASP A 86 12.600 -2.252 7.559 1.00 10.02 O ATOM 1395 CB ASP A 86 14.936 -3.702 7.737 1.00 61.10 C ATOM 1396 CG ASP A 86 16.154 -4.615 7.656 1.00 21.21 C ATOM 1397 OD1 ASP A 86 16.828 -4.643 6.602 1.00 34.34 O ATOM 1398 OD2 ASP A 86 16.423 -5.349 8.625 1.00 61.20 O ATOM 0 H ASP A 86 14.635 -4.234 5.333 1.00 31.05 H new ATOM 0 HA ASP A 86 13.468 -5.299 7.741 1.00 4.33 H new ATOM 0 HB2 ASP A 86 15.131 -2.788 7.176 1.00 61.10 H new ATOM 0 HB3 ASP A 86 14.772 -3.410 8.774 1.00 61.10 H new ATOM 1403 N ILE A 87 11.235 -4.022 7.235 1.00 21.43 N ATOM 1404 CA ILE A 87 9.983 -3.238 7.205 1.00 64.35 C ATOM 1405 C ILE A 87 8.962 -3.827 8.198 1.00 63.21 C ATOM 1406 O ILE A 87 8.666 -5.029 8.137 1.00 72.42 O ATOM 1407 CB ILE A 87 9.345 -3.205 5.755 1.00 0.33 C ATOM 1408 CG1 ILE A 87 10.394 -2.811 4.656 1.00 35.32 C ATOM 1409 CG2 ILE A 87 8.118 -2.257 5.704 1.00 54.33 C ATOM 1410 CD1 ILE A 87 11.011 -1.427 4.806 1.00 11.55 C ATOM 0 H ILE A 87 11.092 -5.028 7.147 1.00 21.43 H new ATOM 0 HA ILE A 87 10.232 -2.216 7.492 1.00 64.35 H new ATOM 0 HB ILE A 87 9.008 -4.218 5.536 1.00 0.33 H new ATOM 0 HG12 ILE A 87 11.195 -3.550 4.662 1.00 35.32 H new ATOM 0 HG13 ILE A 87 9.912 -2.871 3.680 1.00 35.32 H new ATOM 0 HG21 ILE A 87 7.701 -2.255 4.697 1.00 54.33 H new ATOM 0 HG22 ILE A 87 7.362 -2.603 6.409 1.00 54.33 H new ATOM 0 HG23 ILE A 87 8.428 -1.246 5.971 1.00 54.33 H new ATOM 0 HD11 ILE A 87 11.721 -1.255 3.997 1.00 11.55 H new ATOM 0 HD12 ILE A 87 10.226 -0.672 4.766 1.00 11.55 H new ATOM 0 HD13 ILE A 87 11.529 -1.361 5.763 1.00 11.55 H new ATOM 1422 N ASN A 88 8.437 -2.987 9.108 1.00 32.10 N ATOM 1423 CA ASN A 88 7.365 -3.381 10.054 1.00 20.14 C ATOM 1424 C ASN A 88 5.993 -2.852 9.583 1.00 74.35 C ATOM 1425 O ASN A 88 5.905 -1.824 8.897 1.00 53.24 O ATOM 1426 CB ASN A 88 7.685 -2.908 11.501 1.00 24.14 C ATOM 1427 CG ASN A 88 7.831 -1.393 11.648 1.00 33.22 C ATOM 1428 OD1 ASN A 88 8.929 -0.852 11.531 1.00 11.14 O ATOM 1429 ND2 ASN A 88 6.730 -0.704 11.918 1.00 52.32 N ATOM 0 H ASN A 88 8.739 -2.018 9.212 1.00 32.10 H new ATOM 0 HA ASN A 88 7.317 -4.470 10.069 1.00 20.14 H new ATOM 0 HB2 ASN A 88 6.893 -3.252 12.167 1.00 24.14 H new ATOM 0 HB3 ASN A 88 8.608 -3.384 11.831 1.00 24.14 H new ATOM 0 HD21 ASN A 88 6.778 0.308 12.035 1.00 52.32 H new ATOM 0 HD22 ASN A 88 5.836 -1.186 12.008 1.00 52.32 H new ATOM 1436 N VAL A 89 4.931 -3.584 9.953 1.00 21.14 N ATOM 1437 CA VAL A 89 3.533 -3.270 9.592 1.00 60.51 C ATOM 1438 C VAL A 89 2.706 -2.978 10.861 1.00 52.34 C ATOM 1439 O VAL A 89 3.013 -3.492 11.945 1.00 33.22 O ATOM 1440 CB VAL A 89 2.887 -4.451 8.767 1.00 42.15 C ATOM 1441 CG1 VAL A 89 2.967 -5.810 9.511 1.00 60.12 C ATOM 1442 CG2 VAL A 89 1.429 -4.135 8.360 1.00 35.22 C ATOM 0 H VAL A 89 5.017 -4.426 10.522 1.00 21.14 H new ATOM 0 HA VAL A 89 3.532 -2.380 8.963 1.00 60.51 H new ATOM 0 HB VAL A 89 3.480 -4.545 7.858 1.00 42.15 H new ATOM 0 HG11 VAL A 89 2.509 -6.587 8.899 1.00 60.12 H new ATOM 0 HG12 VAL A 89 4.011 -6.063 9.696 1.00 60.12 H new ATOM 0 HG13 VAL A 89 2.438 -5.736 10.461 1.00 60.12 H new ATOM 0 HG21 VAL A 89 1.020 -4.972 7.794 1.00 35.22 H new ATOM 0 HG22 VAL A 89 0.828 -3.974 9.255 1.00 35.22 H new ATOM 0 HG23 VAL A 89 1.410 -3.236 7.744 1.00 35.22 H new ATOM 1452 N THR A 90 1.679 -2.119 10.724 1.00 12.03 N ATOM 1453 CA THR A 90 0.737 -1.798 11.803 1.00 14.34 C ATOM 1454 C THR A 90 -0.696 -1.711 11.220 1.00 14.35 C ATOM 1455 O THR A 90 -1.031 -0.762 10.509 1.00 24.24 O ATOM 1456 CB THR A 90 1.159 -0.451 12.495 1.00 62.14 C ATOM 1457 OG1 THR A 90 2.479 -0.598 13.060 1.00 55.02 O ATOM 1458 CG2 THR A 90 0.180 -0.021 13.593 1.00 61.24 C ATOM 0 H THR A 90 1.481 -1.626 9.853 1.00 12.03 H new ATOM 0 HA THR A 90 0.754 -2.582 12.560 1.00 14.34 H new ATOM 0 HB THR A 90 1.151 0.326 11.730 1.00 62.14 H new ATOM 0 HG1 THR A 90 2.746 0.241 13.491 1.00 55.02 H new ATOM 0 HG21 THR A 90 0.520 0.915 14.037 1.00 61.24 H new ATOM 0 HG22 THR A 90 -0.811 0.121 13.162 1.00 61.24 H new ATOM 0 HG23 THR A 90 0.134 -0.792 14.362 1.00 61.24 H new ATOM 1466 N TRP A 91 -1.532 -2.723 11.513 1.00 52.23 N ATOM 1467 CA TRP A 91 -2.940 -2.782 11.065 1.00 61.15 C ATOM 1468 C TRP A 91 -3.863 -2.407 12.234 1.00 11.32 C ATOM 1469 O TRP A 91 -3.917 -3.129 13.233 1.00 21.53 O ATOM 1470 CB TRP A 91 -3.269 -4.208 10.537 1.00 5.14 C ATOM 1471 CG TRP A 91 -4.742 -4.461 10.260 1.00 44.13 C ATOM 1472 CD1 TRP A 91 -5.543 -3.800 9.370 1.00 44.22 C ATOM 1473 CD2 TRP A 91 -5.583 -5.457 10.884 1.00 41.33 C ATOM 1474 NE1 TRP A 91 -6.814 -4.312 9.409 1.00 14.33 N ATOM 1475 CE2 TRP A 91 -6.863 -5.331 10.321 1.00 22.12 C ATOM 1476 CE3 TRP A 91 -5.370 -6.439 11.858 1.00 21.03 C ATOM 1477 CZ2 TRP A 91 -7.929 -6.145 10.692 1.00 44.31 C ATOM 1478 CZ3 TRP A 91 -6.430 -7.251 12.230 1.00 42.03 C ATOM 1479 CH2 TRP A 91 -7.696 -7.101 11.645 1.00 62.52 C ATOM 0 H TRP A 91 -1.250 -3.529 12.071 1.00 52.23 H new ATOM 0 HA TRP A 91 -3.097 -2.073 10.252 1.00 61.15 H new ATOM 0 HB2 TRP A 91 -2.707 -4.379 9.619 1.00 5.14 H new ATOM 0 HB3 TRP A 91 -2.920 -4.940 11.266 1.00 5.14 H new ATOM 0 HD1 TRP A 91 -5.221 -2.992 8.730 1.00 44.22 H new ATOM 0 HE1 TRP A 91 -7.600 -3.985 8.847 1.00 14.33 H new ATOM 0 HE3 TRP A 91 -4.398 -6.562 12.312 1.00 21.03 H new ATOM 0 HZ2 TRP A 91 -8.905 -6.027 10.245 1.00 44.31 H new ATOM 0 HZ3 TRP A 91 -6.279 -8.011 12.982 1.00 42.03 H new ATOM 0 HH2 TRP A 91 -8.502 -7.751 11.952 1.00 62.52 H new ATOM 1490 N ASP A 92 -4.581 -1.280 12.097 1.00 3.41 N ATOM 1491 CA ASP A 92 -5.548 -0.788 13.101 1.00 51.42 C ATOM 1492 C ASP A 92 -6.712 -0.086 12.389 1.00 22.44 C ATOM 1493 O ASP A 92 -6.504 0.619 11.395 1.00 70.45 O ATOM 1494 CB ASP A 92 -4.875 0.184 14.126 1.00 63.00 C ATOM 1495 CG ASP A 92 -4.047 -0.537 15.206 1.00 73.02 C ATOM 1496 OD1 ASP A 92 -4.633 -0.990 16.218 1.00 23.23 O ATOM 1497 OD2 ASP A 92 -2.816 -0.662 15.052 1.00 65.11 O ATOM 0 H ASP A 92 -4.508 -0.676 11.278 1.00 3.41 H new ATOM 0 HA ASP A 92 -5.922 -1.645 13.662 1.00 51.42 H new ATOM 0 HB2 ASP A 92 -4.229 0.877 13.587 1.00 63.00 H new ATOM 0 HB3 ASP A 92 -5.648 0.780 14.610 1.00 63.00 H new ATOM 1502 N GLY A 93 -7.928 -0.284 12.921 1.00 73.23 N ATOM 1503 CA GLY A 93 -9.133 0.338 12.387 1.00 61.14 C ATOM 1504 C GLY A 93 -9.556 -0.225 11.034 1.00 51.25 C ATOM 1505 O GLY A 93 -9.571 -1.441 10.834 1.00 40.22 O ATOM 0 H GLY A 93 -8.095 -0.880 13.732 1.00 73.23 H new ATOM 0 HA2 GLY A 93 -9.948 0.205 13.099 1.00 61.14 H new ATOM 0 HA3 GLY A 93 -8.967 1.411 12.290 1.00 61.14 H new ATOM 1509 N ASP A 94 -9.872 0.675 10.099 1.00 0.14 N ATOM 1510 CA ASP A 94 -10.375 0.309 8.752 1.00 1.11 C ATOM 1511 C ASP A 94 -9.237 0.290 7.724 1.00 72.23 C ATOM 1512 O ASP A 94 -9.492 0.172 6.522 1.00 41.44 O ATOM 1513 CB ASP A 94 -11.476 1.312 8.301 1.00 12.10 C ATOM 1514 CG ASP A 94 -12.624 1.430 9.314 1.00 61.34 C ATOM 1515 OD1 ASP A 94 -13.503 0.550 9.334 1.00 53.32 O ATOM 1516 OD2 ASP A 94 -12.635 2.392 10.117 1.00 3.22 O ATOM 0 H ASP A 94 -9.790 1.681 10.245 1.00 0.14 H new ATOM 0 HA ASP A 94 -10.801 -0.693 8.812 1.00 1.11 H new ATOM 0 HB2 ASP A 94 -11.027 2.294 8.151 1.00 12.10 H new ATOM 0 HB3 ASP A 94 -11.878 0.995 7.339 1.00 12.10 H new ATOM 1521 N THR A 95 -7.982 0.380 8.195 1.00 33.33 N ATOM 1522 CA THR A 95 -6.813 0.594 7.326 1.00 73.33 C ATOM 1523 C THR A 95 -5.563 -0.157 7.853 1.00 15.21 C ATOM 1524 O THR A 95 -5.279 -0.133 9.053 1.00 20.01 O ATOM 1525 CB THR A 95 -6.523 2.132 7.224 1.00 73.35 C ATOM 1526 OG1 THR A 95 -7.681 2.815 6.705 1.00 44.50 O ATOM 1527 CG2 THR A 95 -5.318 2.449 6.334 1.00 41.44 C ATOM 0 H THR A 95 -7.750 0.307 9.186 1.00 33.33 H new ATOM 0 HA THR A 95 -7.038 0.193 6.338 1.00 73.33 H new ATOM 0 HB THR A 95 -6.291 2.477 8.232 1.00 73.35 H new ATOM 0 HG1 THR A 95 -7.495 3.775 6.645 1.00 44.50 H new ATOM 0 HG21 THR A 95 -5.164 3.528 6.300 1.00 41.44 H new ATOM 0 HG22 THR A 95 -4.428 1.968 6.741 1.00 41.44 H new ATOM 0 HG23 THR A 95 -5.502 2.077 5.326 1.00 41.44 H new ATOM 1535 N VAL A 96 -4.830 -0.826 6.946 1.00 43.12 N ATOM 1536 CA VAL A 96 -3.490 -1.373 7.223 1.00 3.21 C ATOM 1537 C VAL A 96 -2.422 -0.318 6.815 1.00 15.14 C ATOM 1538 O VAL A 96 -2.339 0.093 5.653 1.00 4.44 O ATOM 1539 CB VAL A 96 -3.258 -2.763 6.492 1.00 12.51 C ATOM 1540 CG1 VAL A 96 -3.421 -2.678 4.952 1.00 13.44 C ATOM 1541 CG2 VAL A 96 -1.888 -3.375 6.868 1.00 44.01 C ATOM 0 H VAL A 96 -5.152 -1.003 5.995 1.00 43.12 H new ATOM 0 HA VAL A 96 -3.400 -1.577 8.290 1.00 3.21 H new ATOM 0 HB VAL A 96 -4.045 -3.426 6.851 1.00 12.51 H new ATOM 0 HG11 VAL A 96 -3.250 -3.661 4.513 1.00 13.44 H new ATOM 0 HG12 VAL A 96 -4.430 -2.344 4.711 1.00 13.44 H new ATOM 0 HG13 VAL A 96 -2.698 -1.969 4.548 1.00 13.44 H new ATOM 0 HG21 VAL A 96 -1.760 -4.326 6.351 1.00 44.01 H new ATOM 0 HG22 VAL A 96 -1.091 -2.692 6.574 1.00 44.01 H new ATOM 0 HG23 VAL A 96 -1.846 -3.539 7.945 1.00 44.01 H new ATOM 1551 N THR A 97 -1.648 0.156 7.800 1.00 74.04 N ATOM 1552 CA THR A 97 -0.634 1.208 7.615 1.00 74.22 C ATOM 1553 C THR A 97 0.775 0.617 7.793 1.00 75.41 C ATOM 1554 O THR A 97 1.117 0.119 8.868 1.00 64.11 O ATOM 1555 CB THR A 97 -0.864 2.371 8.634 1.00 52.44 C ATOM 1556 OG1 THR A 97 -2.174 2.940 8.418 1.00 65.41 O ATOM 1557 CG2 THR A 97 0.205 3.476 8.515 1.00 54.10 C ATOM 0 H THR A 97 -1.707 -0.183 8.760 1.00 74.04 H new ATOM 0 HA THR A 97 -0.725 1.609 6.605 1.00 74.22 H new ATOM 0 HB THR A 97 -0.788 1.952 9.638 1.00 52.44 H new ATOM 0 HG1 THR A 97 -2.151 3.525 7.632 1.00 65.41 H new ATOM 0 HG21 THR A 97 0.000 4.260 9.244 1.00 54.10 H new ATOM 0 HG22 THR A 97 1.190 3.051 8.706 1.00 54.10 H new ATOM 0 HG23 THR A 97 0.181 3.899 7.511 1.00 54.10 H new ATOM 1565 N VAL A 98 1.572 0.655 6.722 1.00 1.03 N ATOM 1566 CA VAL A 98 2.977 0.244 6.738 1.00 15.01 C ATOM 1567 C VAL A 98 3.882 1.486 6.797 1.00 22.31 C ATOM 1568 O VAL A 98 3.854 2.332 5.893 1.00 73.20 O ATOM 1569 CB VAL A 98 3.312 -0.645 5.485 1.00 73.54 C ATOM 1570 CG1 VAL A 98 4.826 -0.950 5.376 1.00 12.14 C ATOM 1571 CG2 VAL A 98 2.488 -1.956 5.533 1.00 23.43 C ATOM 0 H VAL A 98 1.255 0.977 5.808 1.00 1.03 H new ATOM 0 HA VAL A 98 3.160 -0.360 7.627 1.00 15.01 H new ATOM 0 HB VAL A 98 3.038 -0.082 4.593 1.00 73.54 H new ATOM 0 HG11 VAL A 98 5.011 -1.566 4.496 1.00 12.14 H new ATOM 0 HG12 VAL A 98 5.380 -0.015 5.287 1.00 12.14 H new ATOM 0 HG13 VAL A 98 5.155 -1.483 6.268 1.00 12.14 H new ATOM 0 HG21 VAL A 98 2.725 -2.567 4.662 1.00 23.43 H new ATOM 0 HG22 VAL A 98 2.734 -2.507 6.441 1.00 23.43 H new ATOM 0 HG23 VAL A 98 1.424 -1.718 5.530 1.00 23.43 H new ATOM 1581 N GLU A 99 4.627 1.601 7.900 1.00 51.42 N ATOM 1582 CA GLU A 99 5.664 2.615 8.095 1.00 22.13 C ATOM 1583 C GLU A 99 6.688 2.025 9.073 1.00 51.54 C ATOM 1584 O GLU A 99 6.302 1.532 10.143 1.00 25.42 O ATOM 1585 CB GLU A 99 5.051 3.947 8.654 1.00 63.45 C ATOM 1586 CG GLU A 99 5.867 5.248 8.399 1.00 41.32 C ATOM 1587 CD GLU A 99 7.325 5.203 8.882 1.00 22.31 C ATOM 1588 OE1 GLU A 99 7.579 5.411 10.090 1.00 3.40 O ATOM 1589 OE2 GLU A 99 8.221 4.904 8.064 1.00 42.30 O ATOM 0 H GLU A 99 4.522 0.977 8.700 1.00 51.42 H new ATOM 0 HA GLU A 99 6.140 2.867 7.147 1.00 22.13 H new ATOM 0 HB2 GLU A 99 4.060 4.075 8.219 1.00 63.45 H new ATOM 0 HB3 GLU A 99 4.915 3.835 9.730 1.00 63.45 H new ATOM 0 HG2 GLU A 99 5.860 5.460 7.330 1.00 41.32 H new ATOM 0 HG3 GLU A 99 5.362 6.079 8.892 1.00 41.32 H new ATOM 1596 N GLY A 100 7.976 2.083 8.710 1.00 24.35 N ATOM 1597 CA GLY A 100 9.051 1.686 9.606 1.00 24.35 C ATOM 1598 C GLY A 100 10.160 0.938 8.899 1.00 34.10 C ATOM 1599 O GLY A 100 10.002 -0.246 8.599 1.00 73.13 O ATOM 0 H GLY A 100 8.292 2.404 7.795 1.00 24.35 H new ATOM 0 HA2 GLY A 100 9.465 2.574 10.084 1.00 24.35 H new ATOM 0 HA3 GLY A 100 8.644 1.058 10.398 1.00 24.35 H new ATOM 1603 N GLN A 101 11.271 1.633 8.587 1.00 2.32 N ATOM 1604 CA GLN A 101 12.508 0.976 8.151 1.00 42.30 C ATOM 1605 C GLN A 101 13.362 0.718 9.403 1.00 62.23 C ATOM 1606 O GLN A 101 13.805 1.665 10.062 1.00 61.24 O ATOM 1607 CB GLN A 101 13.291 1.829 7.116 1.00 60.12 C ATOM 1608 CG GLN A 101 14.591 1.153 6.601 1.00 41.40 C ATOM 1609 CD GLN A 101 15.362 1.983 5.569 1.00 3.00 C ATOM 1610 OE1 GLN A 101 14.778 2.755 4.806 1.00 12.32 O ATOM 1611 NE2 GLN A 101 16.680 1.835 5.537 1.00 52.23 N ATOM 0 H GLN A 101 11.332 2.650 8.630 1.00 2.32 H new ATOM 0 HA GLN A 101 12.264 0.040 7.649 1.00 42.30 H new ATOM 0 HB2 GLN A 101 12.641 2.039 6.267 1.00 60.12 H new ATOM 0 HB3 GLN A 101 13.546 2.788 7.568 1.00 60.12 H new ATOM 0 HG2 GLN A 101 15.244 0.952 7.450 1.00 41.40 H new ATOM 0 HG3 GLN A 101 14.336 0.190 6.159 1.00 41.40 H new ATOM 0 HE21 GLN A 101 17.136 1.189 6.181 1.00 52.23 H new ATOM 0 HE22 GLN A 101 17.237 2.368 4.869 1.00 52.23 H new ATOM 1620 N LEU A 102 13.544 -0.564 9.743 1.00 31.42 N ATOM 1621 CA LEU A 102 14.316 -0.991 10.917 1.00 43.22 C ATOM 1622 C LEU A 102 15.824 -0.849 10.632 1.00 43.25 C ATOM 1623 O LEU A 102 16.349 -1.482 9.709 1.00 32.32 O ATOM 1624 CB LEU A 102 13.969 -2.475 11.272 1.00 74.12 C ATOM 1625 CG LEU A 102 12.460 -2.799 11.560 1.00 60.34 C ATOM 1626 CD1 LEU A 102 12.236 -4.315 11.776 1.00 65.44 C ATOM 1627 CD2 LEU A 102 11.930 -1.988 12.764 1.00 33.12 C ATOM 0 H LEU A 102 13.157 -1.340 9.207 1.00 31.42 H new ATOM 0 HA LEU A 102 14.057 -0.358 11.766 1.00 43.22 H new ATOM 0 HB2 LEU A 102 14.301 -3.108 10.449 1.00 74.12 H new ATOM 0 HB3 LEU A 102 14.551 -2.760 12.148 1.00 74.12 H new ATOM 0 HG LEU A 102 11.892 -2.501 10.678 1.00 60.34 H new ATOM 0 HD11 LEU A 102 11.180 -4.502 11.973 1.00 65.44 H new ATOM 0 HD12 LEU A 102 12.541 -4.859 10.882 1.00 65.44 H new ATOM 0 HD13 LEU A 102 12.829 -4.653 12.626 1.00 65.44 H new ATOM 0 HD21 LEU A 102 10.883 -2.236 12.937 1.00 33.12 H new ATOM 0 HD22 LEU A 102 12.512 -2.233 13.652 1.00 33.12 H new ATOM 0 HD23 LEU A 102 12.021 -0.922 12.553 1.00 33.12 H new ATOM 1639 N GLU A 103 16.500 0.021 11.393 1.00 54.11 N ATOM 1640 CA GLU A 103 17.972 0.138 11.397 1.00 74.54 C ATOM 1641 C GLU A 103 18.476 -0.119 12.826 1.00 62.25 C ATOM 1642 O GLU A 103 17.965 0.462 13.794 1.00 3.32 O ATOM 1643 CB GLU A 103 18.464 1.522 10.857 1.00 4.12 C ATOM 1644 CG GLU A 103 18.036 2.789 11.651 1.00 73.30 C ATOM 1645 CD GLU A 103 16.541 3.138 11.528 1.00 10.20 C ATOM 1646 OE1 GLU A 103 16.150 3.762 10.513 1.00 11.11 O ATOM 1647 OE2 GLU A 103 15.755 2.790 12.439 1.00 1.45 O ATOM 0 H GLU A 103 16.041 0.671 12.031 1.00 54.11 H new ATOM 0 HA GLU A 103 18.386 -0.607 10.717 1.00 74.54 H new ATOM 0 HB2 GLU A 103 19.553 1.501 10.817 1.00 4.12 H new ATOM 0 HB3 GLU A 103 18.109 1.630 9.832 1.00 4.12 H new ATOM 0 HG2 GLU A 103 18.278 2.643 12.704 1.00 73.30 H new ATOM 0 HG3 GLU A 103 18.625 3.638 11.304 1.00 73.30 H new ATOM 1654 N GLY A 104 19.459 -1.024 12.953 1.00 64.00 N ATOM 1655 CA GLY A 104 19.993 -1.431 14.254 1.00 53.40 C ATOM 1656 C GLY A 104 20.386 -2.895 14.248 1.00 15.30 C ATOM 1657 O GLY A 104 21.137 -3.322 13.365 1.00 53.52 O ATOM 0 H GLY A 104 19.901 -1.489 12.160 1.00 64.00 H new ATOM 0 HA2 GLY A 104 20.860 -0.819 14.502 1.00 53.40 H new ATOM 0 HA3 GLY A 104 19.246 -1.255 15.028 1.00 53.40 H new ATOM 1661 N VAL A 105 19.870 -3.669 15.225 1.00 63.05 N ATOM 1662 CA VAL A 105 20.150 -5.118 15.365 1.00 21.33 C ATOM 1663 C VAL A 105 18.861 -5.880 15.746 1.00 42.12 C ATOM 1664 O VAL A 105 17.945 -5.302 16.353 1.00 63.04 O ATOM 1665 CB VAL A 105 21.278 -5.400 16.442 1.00 72.23 C ATOM 1666 CG1 VAL A 105 22.655 -4.838 16.009 1.00 65.25 C ATOM 1667 CG2 VAL A 105 20.878 -4.849 17.834 1.00 2.33 C ATOM 0 H VAL A 105 19.244 -3.307 15.944 1.00 63.05 H new ATOM 0 HA VAL A 105 20.511 -5.473 14.400 1.00 21.33 H new ATOM 0 HB VAL A 105 21.376 -6.483 16.515 1.00 72.23 H new ATOM 0 HG11 VAL A 105 23.395 -5.056 16.779 1.00 65.25 H new ATOM 0 HG12 VAL A 105 22.959 -5.303 15.071 1.00 65.25 H new ATOM 0 HG13 VAL A 105 22.581 -3.759 15.872 1.00 65.25 H new ATOM 0 HG21 VAL A 105 21.673 -5.058 18.550 1.00 2.33 H new ATOM 0 HG22 VAL A 105 20.723 -3.772 17.768 1.00 2.33 H new ATOM 0 HG23 VAL A 105 19.956 -5.328 18.164 1.00 2.33 H new ATOM 1677 N ASP A 106 18.802 -7.173 15.365 1.00 1.13 N ATOM 1678 CA ASP A 106 17.721 -8.099 15.764 1.00 12.42 C ATOM 1679 C ASP A 106 17.913 -8.514 17.246 1.00 3.43 C ATOM 1680 O ASP A 106 19.010 -8.980 17.602 1.00 3.11 O ATOM 1681 CB ASP A 106 17.704 -9.350 14.837 1.00 55.21 C ATOM 1682 CG ASP A 106 16.567 -10.342 15.158 1.00 53.11 C ATOM 1683 OD1 ASP A 106 15.446 -10.163 14.637 1.00 4.30 O ATOM 1684 OD2 ASP A 106 16.789 -11.304 15.936 1.00 34.40 O ATOM 1685 OXT ASP A 106 16.967 -8.376 18.048 1.00 37.59 O ATOM 0 H ASP A 106 19.507 -7.607 14.769 1.00 1.13 H new ATOM 0 HA ASP A 106 16.761 -7.593 15.661 1.00 12.42 H new ATOM 0 HB2 ASP A 106 17.608 -9.023 13.802 1.00 55.21 H new ATOM 0 HB3 ASP A 106 18.660 -9.867 14.921 1.00 55.21 H new TER 1690 ASP A 106