USER MOD reduce.3.24.130724 H: found=0, std=0, add=963, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 963 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 82 ASN : amide:sc= 1.34 K(o=1,f=-0.43) USER MOD Set 1.2: A 92 GLN : amide:sc= -0.339 K(o=1,f=0.48) USER MOD Set 1.3: A 93 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 14 CYS SG : rot -79:sc= 0.941 USER MOD Set 2.2: A 53 CYS SG : rot -102:sc= -2.41! USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -171:sc= 0 (180deg=-0.103) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 172:sc= 0.258 (180deg=0.148) USER MOD Single : A 16 ASN :FLIP amide:sc= -0.083 F(o=-0.65,f=-0.083) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 TYR OH : rot 150:sc= 0 USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ -155:sc= -0.208 (180deg=-0.353) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 144:sc= 0.736 (180deg=0.0757) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 149:sc= 0.75 (180deg=0.252) USER MOD Single : A 50 LYS NZ :NH3+ 137:sc= 0.57 (180deg=0.0131) USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ 163:sc= 0.617 (180deg=0.422) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ -113:sc= -0.0193 (180deg=-0.346) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.000705) USER MOD Single : A 83 LYS NZ :NH3+ 172:sc= 0.738 (180deg=0.611) USER MOD Single : A 86 ASN : amide:sc= 0.2 X(o=0.2,f=0) USER MOD Single : A 91 LYS NZ :NH3+ -142:sc= 0.98 (180deg=0.226) USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 95 THR OG1 : rot 33:sc= 0.456 USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 THR OG1 : rot 77:sc= 1.05 USER MOD Single : A 101 THR OG1 : rot 69:sc= 0.401 USER MOD Single : A 112 HIS : no HD1:sc= -0.164 X(o=-0.16,f=-0.095) USER MOD Single : A 113 HIS : no HD1:sc= -0.0463 X(o=-0.046,f=-0.0078) USER MOD Single : A 114 HIS :FLIP no HE2:sc= -0.461 F(o=-1.8,f=-0.46) USER MOD Single : A 115 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 116 HIS : no HE2:sc= -0.0335 K(o=-0.034,f=-0.55) USER MOD Single : A 117 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 13.828 -17.229 -9.008 1.00 34.22 N ATOM 2 CA MET A 1 13.504 -15.938 -9.650 1.00 20.11 C ATOM 3 C MET A 1 12.273 -15.321 -8.966 1.00 32.20 C ATOM 4 O MET A 1 12.401 -14.402 -8.152 1.00 62.41 O ATOM 5 CB MET A 1 13.271 -16.132 -11.178 1.00 50.42 C ATOM 6 CG MET A 1 14.487 -16.664 -11.939 1.00 21.55 C ATOM 7 SD MET A 1 15.901 -15.546 -11.846 1.00 41.53 S ATOM 8 CE MET A 1 17.154 -16.474 -12.729 1.00 34.33 C ATOM 0 H1 MET A 1 14.743 -17.573 -9.363 1.00 34.22 H new ATOM 0 H2 MET A 1 13.883 -17.100 -7.977 1.00 34.22 H new ATOM 0 H3 MET A 1 13.087 -17.923 -9.231 1.00 34.22 H new ATOM 0 HA MET A 1 14.343 -15.253 -9.533 1.00 20.11 H new ATOM 0 HB2 MET A 1 12.438 -16.820 -11.322 1.00 50.42 H new ATOM 0 HB3 MET A 1 12.975 -15.177 -11.612 1.00 50.42 H new ATOM 0 HG2 MET A 1 14.769 -17.636 -11.534 1.00 21.55 H new ATOM 0 HG3 MET A 1 14.219 -16.820 -12.984 1.00 21.55 H new ATOM 0 HE1 MET A 1 18.082 -15.903 -12.750 1.00 34.33 H new ATOM 0 HE2 MET A 1 17.324 -17.426 -12.225 1.00 34.33 H new ATOM 0 HE3 MET A 1 16.818 -16.659 -13.749 1.00 34.33 H new ATOM 20 N ALA A 2 11.086 -15.873 -9.265 1.00 10.52 N ATOM 21 CA ALA A 2 9.799 -15.399 -8.713 1.00 34.41 C ATOM 22 C ALA A 2 9.640 -15.767 -7.225 1.00 71.23 C ATOM 23 O ALA A 2 8.803 -15.188 -6.517 1.00 61.22 O ATOM 24 CB ALA A 2 8.649 -16.002 -9.527 1.00 4.33 C ATOM 0 H ALA A 2 10.988 -16.665 -9.900 1.00 10.52 H new ATOM 0 HA ALA A 2 9.780 -14.311 -8.783 1.00 34.41 H new ATOM 0 HB1 ALA A 2 7.697 -15.656 -9.124 1.00 4.33 H new ATOM 0 HB2 ALA A 2 8.737 -15.690 -10.568 1.00 4.33 H new ATOM 0 HB3 ALA A 2 8.693 -17.090 -9.469 1.00 4.33 H new ATOM 30 N GLY A 3 10.443 -16.752 -6.775 1.00 73.11 N ATOM 31 CA GLY A 3 10.399 -17.248 -5.407 1.00 24.11 C ATOM 32 C GLY A 3 9.387 -18.373 -5.259 1.00 52.41 C ATOM 33 O GLY A 3 9.590 -19.462 -5.803 1.00 24.40 O ATOM 0 H GLY A 3 11.137 -17.219 -7.359 1.00 73.11 H new ATOM 0 HA2 GLY A 3 11.387 -17.604 -5.115 1.00 24.11 H new ATOM 0 HA3 GLY A 3 10.141 -16.433 -4.731 1.00 24.11 H new ATOM 37 N LYS A 4 8.304 -18.106 -4.518 1.00 41.51 N ATOM 38 CA LYS A 4 7.182 -19.054 -4.330 1.00 64.52 C ATOM 39 C LYS A 4 5.946 -18.324 -3.770 1.00 35.23 C ATOM 40 O LYS A 4 4.910 -18.943 -3.521 1.00 75.32 O ATOM 41 CB LYS A 4 7.592 -20.198 -3.355 1.00 42.42 C ATOM 42 CG LYS A 4 8.005 -19.711 -1.942 1.00 75.03 C ATOM 43 CD LYS A 4 8.292 -20.864 -0.952 1.00 44.03 C ATOM 44 CE LYS A 4 8.671 -20.345 0.446 1.00 43.23 C ATOM 45 NZ LYS A 4 8.970 -21.450 1.388 1.00 61.34 N ATOM 0 H LYS A 4 8.174 -17.222 -4.026 1.00 41.51 H new ATOM 0 HA LYS A 4 6.936 -19.482 -5.302 1.00 64.52 H new ATOM 0 HB2 LYS A 4 6.759 -20.894 -3.258 1.00 42.42 H new ATOM 0 HB3 LYS A 4 8.422 -20.753 -3.793 1.00 42.42 H new ATOM 0 HG2 LYS A 4 8.894 -19.086 -2.027 1.00 75.03 H new ATOM 0 HG3 LYS A 4 7.212 -19.083 -1.536 1.00 75.03 H new ATOM 0 HD2 LYS A 4 7.412 -21.503 -0.875 1.00 44.03 H new ATOM 0 HD3 LYS A 4 9.101 -21.482 -1.341 1.00 44.03 H new ATOM 0 HE2 LYS A 4 9.540 -19.692 0.367 1.00 43.23 H new ATOM 0 HE3 LYS A 4 7.854 -19.742 0.842 1.00 43.23 H new ATOM 0 HZ1 LYS A 4 9.220 -21.056 2.317 1.00 61.34 H new ATOM 0 HZ2 LYS A 4 8.133 -22.060 1.485 1.00 61.34 H new ATOM 0 HZ3 LYS A 4 9.767 -22.011 1.024 1.00 61.34 H new ATOM 59 N GLU A 5 6.065 -17.001 -3.600 1.00 10.25 N ATOM 60 CA GLU A 5 5.144 -16.198 -2.770 1.00 2.10 C ATOM 61 C GLU A 5 4.328 -15.206 -3.628 1.00 72.31 C ATOM 62 O GLU A 5 4.309 -15.297 -4.859 1.00 65.15 O ATOM 63 CB GLU A 5 5.978 -15.463 -1.682 1.00 3.24 C ATOM 64 CG GLU A 5 6.778 -16.386 -0.735 1.00 31.24 C ATOM 65 CD GLU A 5 7.815 -15.631 0.105 1.00 33.41 C ATOM 66 OE1 GLU A 5 8.922 -15.370 -0.409 1.00 12.24 O ATOM 67 OE2 GLU A 5 7.533 -15.281 1.270 1.00 73.52 O ATOM 0 H GLU A 5 6.805 -16.450 -4.035 1.00 10.25 H new ATOM 0 HA GLU A 5 4.418 -16.854 -2.290 1.00 2.10 H new ATOM 0 HB2 GLU A 5 6.673 -14.784 -2.176 1.00 3.24 H new ATOM 0 HB3 GLU A 5 5.305 -14.849 -1.083 1.00 3.24 H new ATOM 0 HG2 GLU A 5 6.086 -16.902 -0.069 1.00 31.24 H new ATOM 0 HG3 GLU A 5 7.284 -17.151 -1.324 1.00 31.24 H new ATOM 74 N LEU A 6 3.663 -14.263 -2.941 1.00 43.22 N ATOM 75 CA LEU A 6 2.700 -13.326 -3.536 1.00 0.13 C ATOM 76 C LEU A 6 3.454 -12.244 -4.324 1.00 21.55 C ATOM 77 O LEU A 6 4.298 -11.544 -3.757 1.00 13.22 O ATOM 78 CB LEU A 6 1.807 -12.673 -2.426 1.00 41.54 C ATOM 79 CG LEU A 6 0.857 -13.630 -1.613 1.00 41.11 C ATOM 80 CD1 LEU A 6 1.637 -14.635 -0.748 1.00 31.31 C ATOM 81 CD2 LEU A 6 -0.139 -12.829 -0.745 1.00 22.51 C ATOM 0 H LEU A 6 3.783 -14.129 -1.937 1.00 43.22 H new ATOM 0 HA LEU A 6 2.047 -13.873 -4.216 1.00 0.13 H new ATOM 0 HB2 LEU A 6 2.464 -12.167 -1.718 1.00 41.54 H new ATOM 0 HB3 LEU A 6 1.192 -11.905 -2.895 1.00 41.54 H new ATOM 0 HG LEU A 6 0.293 -14.203 -2.349 1.00 41.11 H new ATOM 0 HD11 LEU A 6 0.936 -15.271 -0.208 1.00 31.31 H new ATOM 0 HD12 LEU A 6 2.269 -15.252 -1.387 1.00 31.31 H new ATOM 0 HD13 LEU A 6 2.260 -14.095 -0.035 1.00 31.31 H new ATOM 0 HD21 LEU A 6 -0.780 -13.519 -0.197 1.00 22.51 H new ATOM 0 HD22 LEU A 6 0.412 -12.207 -0.040 1.00 22.51 H new ATOM 0 HD23 LEU A 6 -0.752 -12.195 -1.386 1.00 22.51 H new ATOM 93 N ARG A 7 3.142 -12.125 -5.633 1.00 43.30 N ATOM 94 CA ARG A 7 3.741 -11.099 -6.509 1.00 32.33 C ATOM 95 C ARG A 7 3.061 -9.751 -6.221 1.00 30.14 C ATOM 96 O ARG A 7 1.885 -9.568 -6.530 1.00 4.35 O ATOM 97 CB ARG A 7 3.590 -11.458 -8.023 1.00 42.33 C ATOM 98 CG ARG A 7 4.480 -12.612 -8.548 1.00 34.34 C ATOM 99 CD ARG A 7 4.117 -14.009 -8.002 1.00 52.42 C ATOM 100 NE ARG A 7 4.822 -15.078 -8.732 1.00 43.41 N ATOM 101 CZ ARG A 7 4.962 -16.349 -8.318 1.00 41.33 C ATOM 102 NH1 ARG A 7 4.458 -16.750 -7.156 1.00 42.40 N ATOM 103 NH2 ARG A 7 5.591 -17.219 -9.094 1.00 74.22 N ATOM 0 H ARG A 7 2.474 -12.732 -6.107 1.00 43.30 H new ATOM 0 HA ARG A 7 4.809 -11.045 -6.297 1.00 32.33 H new ATOM 0 HB2 ARG A 7 2.548 -11.717 -8.211 1.00 42.33 H new ATOM 0 HB3 ARG A 7 3.807 -10.565 -8.609 1.00 42.33 H new ATOM 0 HG2 ARG A 7 4.417 -12.635 -9.636 1.00 34.34 H new ATOM 0 HG3 ARG A 7 5.518 -12.396 -8.294 1.00 34.34 H new ATOM 0 HD2 ARG A 7 4.370 -14.063 -6.943 1.00 52.42 H new ATOM 0 HD3 ARG A 7 3.041 -14.163 -8.081 1.00 52.42 H new ATOM 0 HE ARG A 7 5.240 -14.832 -9.629 1.00 43.41 H new ATOM 0 HH11 ARG A 7 3.956 -16.090 -6.563 1.00 42.40 H new ATOM 0 HH12 ARG A 7 4.573 -17.718 -6.857 1.00 42.40 H new ATOM 0 HH21 ARG A 7 5.963 -16.922 -9.996 1.00 74.22 H new ATOM 0 HH22 ARG A 7 5.703 -18.186 -8.790 1.00 74.22 H new ATOM 117 N VAL A 8 3.800 -8.824 -5.591 1.00 61.01 N ATOM 118 CA VAL A 8 3.273 -7.498 -5.223 1.00 23.13 C ATOM 119 C VAL A 8 4.132 -6.417 -5.910 1.00 71.02 C ATOM 120 O VAL A 8 5.353 -6.572 -6.058 1.00 70.41 O ATOM 121 CB VAL A 8 3.238 -7.291 -3.642 1.00 44.50 C ATOM 122 CG1 VAL A 8 2.894 -8.611 -2.904 1.00 43.30 C ATOM 123 CG2 VAL A 8 4.536 -6.677 -3.074 1.00 63.14 C ATOM 0 H VAL A 8 4.773 -8.970 -5.323 1.00 61.01 H new ATOM 0 HA VAL A 8 2.241 -7.418 -5.565 1.00 23.13 H new ATOM 0 HB VAL A 8 2.443 -6.568 -3.459 1.00 44.50 H new ATOM 0 HG11 VAL A 8 2.879 -8.433 -1.829 1.00 43.30 H new ATOM 0 HG12 VAL A 8 1.915 -8.964 -3.227 1.00 43.30 H new ATOM 0 HG13 VAL A 8 3.646 -9.365 -3.137 1.00 43.30 H new ATOM 0 HG21 VAL A 8 4.443 -6.564 -1.994 1.00 63.14 H new ATOM 0 HG22 VAL A 8 5.377 -7.332 -3.299 1.00 63.14 H new ATOM 0 HG23 VAL A 8 4.705 -5.700 -3.528 1.00 63.14 H new ATOM 133 N GLU A 9 3.475 -5.370 -6.415 1.00 52.51 N ATOM 134 CA GLU A 9 4.147 -4.139 -6.851 1.00 61.52 C ATOM 135 C GLU A 9 3.607 -2.982 -6.007 1.00 21.11 C ATOM 136 O GLU A 9 2.545 -2.435 -6.310 1.00 71.22 O ATOM 137 CB GLU A 9 3.872 -3.869 -8.354 1.00 53.43 C ATOM 138 CG GLU A 9 4.353 -4.974 -9.323 1.00 2.02 C ATOM 139 CD GLU A 9 3.958 -4.744 -10.794 1.00 35.20 C ATOM 140 OE1 GLU A 9 3.466 -3.645 -11.145 1.00 74.23 O ATOM 141 OE2 GLU A 9 4.139 -5.666 -11.618 1.00 22.12 O ATOM 0 H GLU A 9 2.462 -5.350 -6.534 1.00 52.51 H new ATOM 0 HA GLU A 9 5.224 -4.239 -6.720 1.00 61.52 H new ATOM 0 HB2 GLU A 9 2.800 -3.730 -8.491 1.00 53.43 H new ATOM 0 HB3 GLU A 9 4.353 -2.931 -8.632 1.00 53.43 H new ATOM 0 HG2 GLU A 9 5.438 -5.050 -9.258 1.00 2.02 H new ATOM 0 HG3 GLU A 9 3.946 -5.931 -8.995 1.00 2.02 H new ATOM 148 N ILE A 10 4.310 -2.609 -4.929 1.00 15.11 N ATOM 149 CA ILE A 10 3.921 -1.423 -4.152 1.00 14.12 C ATOM 150 C ILE A 10 4.709 -0.250 -4.734 1.00 2.41 C ATOM 151 O ILE A 10 5.929 -0.220 -4.643 1.00 13.43 O ATOM 152 CB ILE A 10 4.217 -1.567 -2.616 1.00 4.34 C ATOM 153 CG1 ILE A 10 3.540 -2.849 -2.026 1.00 11.41 C ATOM 154 CG2 ILE A 10 3.754 -0.290 -1.864 1.00 4.30 C ATOM 155 CD1 ILE A 10 2.026 -2.904 -2.157 1.00 64.04 C ATOM 0 H ILE A 10 5.134 -3.099 -4.580 1.00 15.11 H new ATOM 0 HA ILE A 10 2.843 -1.277 -4.228 1.00 14.12 H new ATOM 0 HB ILE A 10 5.293 -1.678 -2.480 1.00 4.34 H new ATOM 0 HG12 ILE A 10 3.963 -3.723 -2.521 1.00 11.41 H new ATOM 0 HG13 ILE A 10 3.800 -2.924 -0.970 1.00 11.41 H new ATOM 0 HG21 ILE A 10 3.963 -0.399 -0.800 1.00 4.30 H new ATOM 0 HG22 ILE A 10 4.290 0.576 -2.253 1.00 4.30 H new ATOM 0 HG23 ILE A 10 2.683 -0.149 -2.011 1.00 4.30 H new ATOM 0 HD11 ILE A 10 1.656 -3.831 -1.718 1.00 64.04 H new ATOM 0 HD12 ILE A 10 1.585 -2.054 -1.636 1.00 64.04 H new ATOM 0 HD13 ILE A 10 1.750 -2.867 -3.211 1.00 64.04 H new ATOM 167 N LYS A 11 3.995 0.703 -5.323 1.00 34.52 N ATOM 168 CA LYS A 11 4.580 1.686 -6.246 1.00 21.33 C ATOM 169 C LYS A 11 4.306 3.111 -5.725 1.00 52.03 C ATOM 170 O LYS A 11 3.242 3.381 -5.168 1.00 72.32 O ATOM 171 CB LYS A 11 3.987 1.429 -7.677 1.00 13.41 C ATOM 172 CG LYS A 11 4.906 1.824 -8.861 1.00 63.00 C ATOM 173 CD LYS A 11 4.977 3.343 -9.124 1.00 34.43 C ATOM 174 CE LYS A 11 5.991 3.699 -10.216 1.00 33.11 C ATOM 175 NZ LYS A 11 6.032 5.157 -10.504 1.00 74.01 N ATOM 0 H LYS A 11 2.992 0.821 -5.178 1.00 34.52 H new ATOM 0 HA LYS A 11 5.663 1.582 -6.308 1.00 21.33 H new ATOM 0 HB2 LYS A 11 3.744 0.370 -7.766 1.00 13.41 H new ATOM 0 HB3 LYS A 11 3.051 1.979 -7.767 1.00 13.41 H new ATOM 0 HG2 LYS A 11 5.912 1.453 -8.666 1.00 63.00 H new ATOM 0 HG3 LYS A 11 4.552 1.326 -9.764 1.00 63.00 H new ATOM 0 HD2 LYS A 11 3.991 3.705 -9.415 1.00 34.43 H new ATOM 0 HD3 LYS A 11 5.245 3.857 -8.201 1.00 34.43 H new ATOM 0 HE2 LYS A 11 6.982 3.365 -9.909 1.00 33.11 H new ATOM 0 HE3 LYS A 11 5.741 3.159 -11.129 1.00 33.11 H new ATOM 0 HZ1 LYS A 11 6.823 5.362 -11.147 1.00 74.01 H new ATOM 0 HZ2 LYS A 11 5.139 5.448 -10.950 1.00 74.01 H new ATOM 0 HZ3 LYS A 11 6.163 5.683 -9.616 1.00 74.01 H new ATOM 189 N ILE A 12 5.303 4.001 -5.878 1.00 55.33 N ATOM 190 CA ILE A 12 5.206 5.420 -5.492 1.00 34.50 C ATOM 191 C ILE A 12 5.286 6.298 -6.753 1.00 34.23 C ATOM 192 O ILE A 12 6.174 6.096 -7.600 1.00 44.52 O ATOM 193 CB ILE A 12 6.369 5.829 -4.502 1.00 15.51 C ATOM 194 CG1 ILE A 12 6.348 4.953 -3.212 1.00 52.51 C ATOM 195 CG2 ILE A 12 6.301 7.333 -4.130 1.00 65.53 C ATOM 196 CD1 ILE A 12 5.114 5.143 -2.339 1.00 40.13 C ATOM 0 H ILE A 12 6.208 3.752 -6.277 1.00 55.33 H new ATOM 0 HA ILE A 12 4.253 5.569 -4.984 1.00 34.50 H new ATOM 0 HB ILE A 12 7.309 5.652 -5.025 1.00 15.51 H new ATOM 0 HG12 ILE A 12 6.416 3.904 -3.499 1.00 52.51 H new ATOM 0 HG13 ILE A 12 7.235 5.179 -2.620 1.00 52.51 H new ATOM 0 HG21 ILE A 12 7.116 7.576 -3.448 1.00 65.53 H new ATOM 0 HG22 ILE A 12 6.391 7.936 -5.034 1.00 65.53 H new ATOM 0 HG23 ILE A 12 5.348 7.545 -3.646 1.00 65.53 H new ATOM 0 HD11 ILE A 12 5.184 4.496 -1.465 1.00 40.13 H new ATOM 0 HD12 ILE A 12 5.053 6.182 -2.017 1.00 40.13 H new ATOM 0 HD13 ILE A 12 4.221 4.887 -2.910 1.00 40.13 H new ATOM 208 N ASP A 13 4.350 7.252 -6.872 1.00 41.30 N ATOM 209 CA ASP A 13 4.367 8.289 -7.920 1.00 1.21 C ATOM 210 C ASP A 13 4.304 9.673 -7.259 1.00 60.32 C ATOM 211 O ASP A 13 3.260 10.078 -6.737 1.00 53.24 O ATOM 212 CB ASP A 13 3.213 8.084 -8.950 1.00 31.31 C ATOM 213 CG ASP A 13 3.636 7.208 -10.138 1.00 32.13 C ATOM 214 OD1 ASP A 13 4.395 7.699 -11.002 1.00 70.10 O ATOM 215 OD2 ASP A 13 3.259 6.023 -10.208 1.00 43.42 O ATOM 0 H ASP A 13 3.553 7.328 -6.240 1.00 41.30 H new ATOM 0 HA ASP A 13 5.296 8.211 -8.484 1.00 1.21 H new ATOM 0 HB2 ASP A 13 2.360 7.625 -8.449 1.00 31.31 H new ATOM 0 HB3 ASP A 13 2.882 9.055 -9.318 1.00 31.31 H new ATOM 220 N CYS A 14 5.443 10.384 -7.283 1.00 31.10 N ATOM 221 CA CYS A 14 5.627 11.659 -6.563 1.00 74.14 C ATOM 222 C CYS A 14 5.283 12.893 -7.429 1.00 21.53 C ATOM 223 O CYS A 14 5.290 14.023 -6.917 1.00 62.31 O ATOM 224 CB CYS A 14 7.076 11.746 -6.048 1.00 14.31 C ATOM 225 SG CYS A 14 7.579 10.355 -5.012 1.00 75.34 S ATOM 0 H CYS A 14 6.268 10.090 -7.805 1.00 31.10 H new ATOM 0 HA CYS A 14 4.930 11.670 -5.725 1.00 74.14 H new ATOM 0 HB2 CYS A 14 7.750 11.810 -6.902 1.00 14.31 H new ATOM 0 HB3 CYS A 14 7.193 12.669 -5.480 1.00 14.31 H new ATOM 0 HG CYS A 14 7.107 10.515 -3.811 1.00 75.34 H new ATOM 231 N GLY A 15 4.981 12.678 -8.729 1.00 73.44 N ATOM 232 CA GLY A 15 4.600 13.765 -9.646 1.00 74.13 C ATOM 233 C GLY A 15 4.999 13.470 -11.093 1.00 24.21 C ATOM 234 O GLY A 15 4.267 12.789 -11.823 1.00 73.04 O ATOM 0 H GLY A 15 4.995 11.756 -9.164 1.00 73.44 H new ATOM 0 HA2 GLY A 15 3.523 13.921 -9.593 1.00 74.13 H new ATOM 0 HA3 GLY A 15 5.073 14.692 -9.323 1.00 74.13 H new ATOM 238 N ASN A 16 6.165 13.985 -11.512 1.00 52.33 N ATOM 239 CA ASN A 16 6.716 13.779 -12.875 1.00 75.14 C ATOM 240 C ASN A 16 8.229 13.513 -12.753 1.00 52.50 C ATOM 241 O ASN A 16 9.057 13.991 -13.539 1.00 34.00 O ATOM 242 CB ASN A 16 6.389 15.006 -13.783 1.00 71.41 C ATOM 243 CG ASN A 16 6.768 14.823 -15.272 1.00 0.12 C ATOM 244 OD1 ASN A 16 6.665 13.604 -15.809 1.00 25.13 O flip ATOM 245 ND2 ASN A 16 7.148 15.783 -15.947 1.00 14.34 N flip ATOM 0 H ASN A 16 6.761 14.560 -10.917 1.00 52.33 H new ATOM 0 HA ASN A 16 6.255 12.915 -13.353 1.00 75.14 H new ATOM 0 HB2 ASN A 16 5.322 15.217 -13.716 1.00 71.41 H new ATOM 0 HB3 ASN A 16 6.911 15.880 -13.393 1.00 71.41 H new ATOM 0 HD21 ASN A 16 7.221 16.708 -15.523 1.00 14.34 H new ATOM 0 HD22 ASN A 16 7.389 15.652 -16.930 1.00 14.34 H new ATOM 252 N ASP A 17 8.553 12.705 -11.745 1.00 3.22 N ATOM 253 CA ASP A 17 9.931 12.352 -11.377 1.00 11.31 C ATOM 254 C ASP A 17 10.489 11.283 -12.327 1.00 31.44 C ATOM 255 O ASP A 17 11.703 11.211 -12.539 1.00 12.44 O ATOM 256 CB ASP A 17 9.950 11.818 -9.913 1.00 62.14 C ATOM 257 CG ASP A 17 9.403 12.817 -8.875 1.00 51.12 C ATOM 258 OD1 ASP A 17 8.225 13.220 -8.987 1.00 44.33 O ATOM 259 OD2 ASP A 17 10.142 13.193 -7.938 1.00 12.53 O ATOM 0 H ASP A 17 7.853 12.266 -11.146 1.00 3.22 H new ATOM 0 HA ASP A 17 10.557 13.241 -11.455 1.00 11.31 H new ATOM 0 HB2 ASP A 17 9.363 10.901 -9.864 1.00 62.14 H new ATOM 0 HB3 ASP A 17 10.974 11.556 -9.646 1.00 62.14 H new ATOM 264 N ASP A 18 9.566 10.424 -12.847 1.00 12.11 N ATOM 265 CA ASP A 18 9.877 9.223 -13.670 1.00 72.31 C ATOM 266 C ASP A 18 10.660 8.167 -12.873 1.00 4.35 C ATOM 267 O ASP A 18 11.146 7.179 -13.436 1.00 3.40 O ATOM 268 CB ASP A 18 10.606 9.584 -14.999 1.00 4.13 C ATOM 269 CG ASP A 18 9.804 10.547 -15.891 1.00 73.34 C ATOM 270 OD1 ASP A 18 8.634 10.242 -16.216 1.00 33.13 O ATOM 271 OD2 ASP A 18 10.334 11.608 -16.269 1.00 72.12 O ATOM 0 H ASP A 18 8.565 10.552 -12.701 1.00 12.11 H new ATOM 0 HA ASP A 18 8.917 8.784 -13.943 1.00 72.31 H new ATOM 0 HB2 ASP A 18 11.571 10.035 -14.765 1.00 4.13 H new ATOM 0 HB3 ASP A 18 10.808 8.668 -15.555 1.00 4.13 H new ATOM 276 N LYS A 19 10.745 8.372 -11.550 1.00 34.43 N ATOM 277 CA LYS A 19 11.421 7.461 -10.643 1.00 32.04 C ATOM 278 C LYS A 19 10.435 6.384 -10.213 1.00 11.35 C ATOM 279 O LYS A 19 9.667 6.565 -9.259 1.00 21.25 O ATOM 280 CB LYS A 19 12.015 8.243 -9.434 1.00 0.44 C ATOM 281 CG LYS A 19 13.144 9.258 -9.791 1.00 45.10 C ATOM 282 CD LYS A 19 14.564 8.625 -9.939 1.00 23.52 C ATOM 283 CE LYS A 19 14.765 7.760 -11.196 1.00 50.23 C ATOM 284 NZ LYS A 19 16.123 7.157 -11.239 1.00 32.12 N ATOM 0 H LYS A 19 10.340 9.185 -11.086 1.00 34.43 H new ATOM 0 HA LYS A 19 12.261 6.977 -11.141 1.00 32.04 H new ATOM 0 HB2 LYS A 19 11.208 8.782 -8.938 1.00 0.44 H new ATOM 0 HB3 LYS A 19 12.408 7.525 -8.715 1.00 0.44 H new ATOM 0 HG2 LYS A 19 12.884 9.757 -10.724 1.00 45.10 H new ATOM 0 HG3 LYS A 19 13.182 10.026 -9.019 1.00 45.10 H new ATOM 0 HD2 LYS A 19 15.303 9.426 -9.946 1.00 23.52 H new ATOM 0 HD3 LYS A 19 14.766 8.013 -9.060 1.00 23.52 H new ATOM 0 HE2 LYS A 19 14.015 6.969 -11.217 1.00 50.23 H new ATOM 0 HE3 LYS A 19 14.610 8.370 -12.086 1.00 50.23 H new ATOM 0 HZ1 LYS A 19 16.220 6.582 -12.100 1.00 32.12 H new ATOM 0 HZ2 LYS A 19 16.838 7.912 -11.245 1.00 32.12 H new ATOM 0 HZ3 LYS A 19 16.262 6.555 -10.403 1.00 32.12 H new ATOM 298 N GLU A 20 10.411 5.292 -10.994 1.00 30.24 N ATOM 299 CA GLU A 20 9.597 4.125 -10.683 1.00 10.04 C ATOM 300 C GLU A 20 10.151 3.486 -9.407 1.00 62.43 C ATOM 301 O GLU A 20 11.279 2.983 -9.400 1.00 42.42 O ATOM 302 CB GLU A 20 9.636 3.113 -11.862 1.00 43.34 C ATOM 303 CG GLU A 20 9.259 3.703 -13.242 1.00 33.32 C ATOM 304 CD GLU A 20 7.819 4.241 -13.313 1.00 0.35 C ATOM 305 OE1 GLU A 20 6.876 3.444 -13.542 1.00 13.21 O ATOM 306 OE2 GLU A 20 7.612 5.457 -13.112 1.00 2.45 O ATOM 0 H GLU A 20 10.955 5.202 -11.852 1.00 30.24 H new ATOM 0 HA GLU A 20 8.558 4.418 -10.531 1.00 10.04 H new ATOM 0 HB2 GLU A 20 10.639 2.691 -11.926 1.00 43.34 H new ATOM 0 HB3 GLU A 20 8.957 2.290 -11.638 1.00 43.34 H new ATOM 0 HG2 GLU A 20 9.951 4.510 -13.484 1.00 33.32 H new ATOM 0 HG3 GLU A 20 9.388 2.934 -14.003 1.00 33.32 H new ATOM 313 N THR A 21 9.359 3.527 -8.331 1.00 71.42 N ATOM 314 CA THR A 21 9.766 3.013 -7.027 1.00 42.33 C ATOM 315 C THR A 21 8.807 1.904 -6.632 1.00 24.21 C ATOM 316 O THR A 21 7.669 2.175 -6.259 1.00 45.22 O ATOM 317 CB THR A 21 9.741 4.162 -5.955 1.00 22.13 C ATOM 318 OG1 THR A 21 10.536 5.257 -6.417 1.00 3.21 O ATOM 319 CG2 THR A 21 10.264 3.704 -4.578 1.00 3.41 C ATOM 0 H THR A 21 8.417 3.919 -8.344 1.00 71.42 H new ATOM 0 HA THR A 21 10.783 2.625 -7.081 1.00 42.33 H new ATOM 0 HB THR A 21 8.701 4.461 -5.827 1.00 22.13 H new ATOM 0 HG1 THR A 21 10.521 5.976 -5.751 1.00 3.21 H new ATOM 0 HG21 THR A 21 10.224 4.538 -3.878 1.00 3.41 H new ATOM 0 HG22 THR A 21 9.644 2.888 -4.206 1.00 3.41 H new ATOM 0 HG23 THR A 21 11.294 3.362 -4.676 1.00 3.41 H new ATOM 327 N THR A 22 9.260 0.661 -6.765 1.00 64.15 N ATOM 328 CA THR A 22 8.544 -0.514 -6.279 1.00 72.34 C ATOM 329 C THR A 22 9.308 -1.083 -5.080 1.00 24.30 C ATOM 330 O THR A 22 10.545 -1.011 -5.026 1.00 5.40 O ATOM 331 CB THR A 22 8.366 -1.587 -7.409 1.00 5.04 C ATOM 332 OG1 THR A 22 9.611 -1.773 -8.102 1.00 4.41 O ATOM 333 CG2 THR A 22 7.261 -1.190 -8.416 1.00 44.13 C ATOM 0 H THR A 22 10.146 0.439 -7.219 1.00 64.15 H new ATOM 0 HA THR A 22 7.539 -0.227 -5.969 1.00 72.34 H new ATOM 0 HB THR A 22 8.061 -2.520 -6.934 1.00 5.04 H new ATOM 0 HG1 THR A 22 9.496 -2.445 -8.806 1.00 4.41 H new ATOM 0 HG21 THR A 22 7.172 -1.961 -9.181 1.00 44.13 H new ATOM 0 HG22 THR A 22 6.311 -1.087 -7.892 1.00 44.13 H new ATOM 0 HG23 THR A 22 7.521 -0.241 -8.886 1.00 44.13 H new ATOM 341 N TYR A 23 8.569 -1.634 -4.111 1.00 30.52 N ATOM 342 CA TYR A 23 9.150 -2.249 -2.915 1.00 74.12 C ATOM 343 C TYR A 23 9.092 -3.769 -3.107 1.00 40.11 C ATOM 344 O TYR A 23 8.062 -4.299 -3.553 1.00 10.30 O ATOM 345 CB TYR A 23 8.368 -1.853 -1.632 1.00 71.34 C ATOM 346 CG TYR A 23 8.319 -0.350 -1.297 1.00 22.32 C ATOM 347 CD1 TYR A 23 7.347 0.483 -1.857 1.00 54.22 C ATOM 348 CD2 TYR A 23 9.203 0.223 -0.373 1.00 24.33 C ATOM 349 CE1 TYR A 23 7.260 1.819 -1.524 1.00 4.11 C ATOM 350 CE2 TYR A 23 9.123 1.571 -0.044 1.00 32.04 C ATOM 351 CZ TYR A 23 8.143 2.360 -0.615 1.00 60.52 C ATOM 352 OH TYR A 23 8.038 3.695 -0.273 1.00 44.42 O ATOM 0 H TYR A 23 7.550 -1.666 -4.135 1.00 30.52 H new ATOM 0 HA TYR A 23 10.176 -1.903 -2.788 1.00 74.12 H new ATOM 0 HB2 TYR A 23 7.345 -2.215 -1.730 1.00 71.34 H new ATOM 0 HB3 TYR A 23 8.812 -2.378 -0.786 1.00 71.34 H new ATOM 0 HD1 TYR A 23 6.646 0.071 -2.568 1.00 54.22 H new ATOM 0 HD2 TYR A 23 9.959 -0.393 0.091 1.00 24.33 H new ATOM 0 HE1 TYR A 23 6.501 2.440 -1.975 1.00 4.11 H new ATOM 0 HE2 TYR A 23 9.825 2.000 0.656 1.00 32.04 H new ATOM 0 HH TYR A 23 8.349 3.822 0.647 1.00 44.42 H new ATOM 362 N ASP A 24 10.205 -4.457 -2.810 1.00 15.43 N ATOM 363 CA ASP A 24 10.280 -5.923 -2.886 1.00 4.53 C ATOM 364 C ASP A 24 9.859 -6.513 -1.540 1.00 43.42 C ATOM 365 O ASP A 24 10.626 -6.492 -0.571 1.00 22.41 O ATOM 366 CB ASP A 24 11.704 -6.406 -3.265 1.00 52.05 C ATOM 367 CG ASP A 24 12.157 -5.892 -4.636 1.00 1.44 C ATOM 368 OD1 ASP A 24 11.689 -6.432 -5.654 1.00 52.44 O ATOM 369 OD2 ASP A 24 12.971 -4.940 -4.702 1.00 35.25 O ATOM 0 H ASP A 24 11.074 -4.015 -2.512 1.00 15.43 H new ATOM 0 HA ASP A 24 9.605 -6.265 -3.670 1.00 4.53 H new ATOM 0 HB2 ASP A 24 12.411 -6.073 -2.505 1.00 52.05 H new ATOM 0 HB3 ASP A 24 11.726 -7.496 -3.265 1.00 52.05 H new ATOM 374 N LEU A 25 8.615 -6.983 -1.475 1.00 23.34 N ATOM 375 CA LEU A 25 8.072 -7.663 -0.296 1.00 23.41 C ATOM 376 C LEU A 25 7.114 -8.762 -0.747 1.00 74.32 C ATOM 377 O LEU A 25 6.569 -8.722 -1.851 1.00 24.35 O ATOM 378 CB LEU A 25 7.369 -6.682 0.700 1.00 24.23 C ATOM 379 CG LEU A 25 6.115 -5.880 0.188 1.00 31.25 C ATOM 380 CD1 LEU A 25 5.339 -5.256 1.355 1.00 41.40 C ATOM 381 CD2 LEU A 25 6.505 -4.775 -0.804 1.00 32.51 C ATOM 0 H LEU A 25 7.949 -6.903 -2.243 1.00 23.34 H new ATOM 0 HA LEU A 25 8.906 -8.101 0.252 1.00 23.41 H new ATOM 0 HB2 LEU A 25 7.063 -7.257 1.574 1.00 24.23 H new ATOM 0 HB3 LEU A 25 8.112 -5.960 1.037 1.00 24.23 H new ATOM 0 HG LEU A 25 5.479 -6.601 -0.326 1.00 31.25 H new ATOM 0 HD11 LEU A 25 4.479 -4.709 0.969 1.00 41.40 H new ATOM 0 HD12 LEU A 25 4.997 -6.043 2.027 1.00 41.40 H new ATOM 0 HD13 LEU A 25 5.989 -4.572 1.900 1.00 41.40 H new ATOM 0 HD21 LEU A 25 5.609 -4.247 -1.131 1.00 32.51 H new ATOM 0 HD22 LEU A 25 7.183 -4.073 -0.319 1.00 32.51 H new ATOM 0 HD23 LEU A 25 7.000 -5.219 -1.667 1.00 32.51 H new ATOM 393 N TYR A 26 6.961 -9.759 0.109 1.00 33.22 N ATOM 394 CA TYR A 26 6.117 -10.926 -0.128 1.00 62.53 C ATOM 395 C TYR A 26 5.319 -11.160 1.152 1.00 14.02 C ATOM 396 O TYR A 26 5.922 -11.330 2.221 1.00 72.11 O ATOM 397 CB TYR A 26 7.002 -12.150 -0.466 1.00 25.13 C ATOM 398 CG TYR A 26 7.801 -12.027 -1.784 1.00 45.14 C ATOM 399 CD1 TYR A 26 7.246 -12.433 -3.000 1.00 43.51 C ATOM 400 CD2 TYR A 26 9.107 -11.516 -1.809 1.00 3.33 C ATOM 401 CE1 TYR A 26 7.950 -12.329 -4.183 1.00 72.31 C ATOM 402 CE2 TYR A 26 9.813 -11.408 -2.994 1.00 24.44 C ATOM 403 CZ TYR A 26 9.231 -11.822 -4.176 1.00 34.03 C ATOM 404 OH TYR A 26 9.930 -11.721 -5.360 1.00 22.21 O ATOM 0 H TYR A 26 7.432 -9.783 1.013 1.00 33.22 H new ATOM 0 HA TYR A 26 5.442 -10.770 -0.970 1.00 62.53 H new ATOM 0 HB2 TYR A 26 7.702 -12.312 0.353 1.00 25.13 H new ATOM 0 HB3 TYR A 26 6.368 -13.035 -0.523 1.00 25.13 H new ATOM 0 HD1 TYR A 26 6.245 -12.837 -3.015 1.00 43.51 H new ATOM 0 HD2 TYR A 26 9.570 -11.201 -0.886 1.00 3.33 H new ATOM 0 HE1 TYR A 26 7.498 -12.644 -5.112 1.00 72.31 H new ATOM 0 HE2 TYR A 26 10.814 -11.002 -2.995 1.00 24.44 H new ATOM 0 HH TYR A 26 10.817 -11.343 -5.185 1.00 22.21 H new ATOM 414 N PHE A 27 3.977 -11.142 1.056 1.00 0.33 N ATOM 415 CA PHE A 27 3.119 -11.170 2.245 1.00 45.53 C ATOM 416 C PHE A 27 3.071 -12.577 2.837 1.00 0.31 C ATOM 417 O PHE A 27 2.662 -13.529 2.163 1.00 33.41 O ATOM 418 CB PHE A 27 1.668 -10.702 1.935 1.00 24.10 C ATOM 419 CG PHE A 27 1.543 -9.377 1.175 1.00 21.13 C ATOM 420 CD1 PHE A 27 2.480 -8.355 1.332 1.00 52.25 C ATOM 421 CD2 PHE A 27 0.476 -9.157 0.306 1.00 11.45 C ATOM 422 CE1 PHE A 27 2.349 -7.169 0.642 1.00 12.14 C ATOM 423 CE2 PHE A 27 0.348 -7.963 -0.375 1.00 45.54 C ATOM 424 CZ PHE A 27 1.285 -6.973 -0.208 1.00 53.41 C ATOM 0 H PHE A 27 3.470 -11.108 0.172 1.00 0.33 H new ATOM 0 HA PHE A 27 3.556 -10.476 2.963 1.00 45.53 H new ATOM 0 HB2 PHE A 27 1.171 -11.480 1.355 1.00 24.10 H new ATOM 0 HB3 PHE A 27 1.126 -10.612 2.877 1.00 24.10 H new ATOM 0 HD1 PHE A 27 3.316 -8.495 2.001 1.00 52.25 H new ATOM 0 HD2 PHE A 27 -0.262 -9.932 0.163 1.00 11.45 H new ATOM 0 HE1 PHE A 27 3.085 -6.389 0.769 1.00 12.14 H new ATOM 0 HE2 PHE A 27 -0.489 -7.807 -1.039 1.00 45.54 H new ATOM 0 HZ PHE A 27 1.187 -6.041 -0.744 1.00 53.41 H new ATOM 434 N SER A 28 3.526 -12.697 4.081 1.00 62.02 N ATOM 435 CA SER A 28 3.200 -13.842 4.928 1.00 71.44 C ATOM 436 C SER A 28 1.730 -13.688 5.427 1.00 1.04 C ATOM 437 O SER A 28 1.064 -12.693 5.119 1.00 15.02 O ATOM 438 CB SER A 28 4.208 -13.921 6.092 1.00 53.44 C ATOM 439 OG SER A 28 5.549 -13.890 5.625 1.00 74.14 O ATOM 0 H SER A 28 4.129 -12.007 4.530 1.00 62.02 H new ATOM 0 HA SER A 28 3.274 -14.776 4.371 1.00 71.44 H new ATOM 0 HB2 SER A 28 4.041 -13.089 6.776 1.00 53.44 H new ATOM 0 HB3 SER A 28 4.040 -14.837 6.658 1.00 53.44 H new ATOM 0 HG SER A 28 6.162 -13.940 6.388 1.00 74.14 H new ATOM 445 N LYS A 29 1.251 -14.674 6.187 1.00 33.14 N ATOM 446 CA LYS A 29 -0.166 -14.799 6.620 1.00 34.20 C ATOM 447 C LYS A 29 -0.697 -13.578 7.441 1.00 74.34 C ATOM 448 O LYS A 29 -0.610 -13.566 8.672 1.00 74.34 O ATOM 449 CB LYS A 29 -0.293 -16.117 7.430 1.00 54.20 C ATOM 450 CG LYS A 29 -1.705 -16.462 7.954 1.00 50.42 C ATOM 451 CD LYS A 29 -1.745 -17.859 8.614 1.00 4.11 C ATOM 452 CE LYS A 29 -0.735 -18.023 9.764 1.00 31.24 C ATOM 453 NZ LYS A 29 -0.767 -19.394 10.343 1.00 62.42 N ATOM 0 H LYS A 29 1.840 -15.431 6.533 1.00 33.14 H new ATOM 0 HA LYS A 29 -0.793 -14.817 5.729 1.00 34.20 H new ATOM 0 HB2 LYS A 29 0.050 -16.939 6.802 1.00 54.20 H new ATOM 0 HB3 LYS A 29 0.385 -16.062 8.282 1.00 54.20 H new ATOM 0 HG2 LYS A 29 -2.019 -15.709 8.677 1.00 50.42 H new ATOM 0 HG3 LYS A 29 -2.417 -16.429 7.130 1.00 50.42 H new ATOM 0 HD2 LYS A 29 -2.750 -18.044 8.994 1.00 4.11 H new ATOM 0 HD3 LYS A 29 -1.546 -18.616 7.856 1.00 4.11 H new ATOM 0 HE2 LYS A 29 0.269 -17.807 9.398 1.00 31.24 H new ATOM 0 HE3 LYS A 29 -0.953 -17.294 10.545 1.00 31.24 H new ATOM 0 HZ1 LYS A 29 -0.072 -19.462 11.114 1.00 62.42 H new ATOM 0 HZ2 LYS A 29 -1.718 -19.591 10.715 1.00 62.42 H new ATOM 0 HZ3 LYS A 29 -0.533 -20.088 9.605 1.00 62.42 H new ATOM 467 N ALA A 30 -1.192 -12.547 6.703 1.00 64.43 N ATOM 468 CA ALA A 30 -1.965 -11.373 7.213 1.00 21.12 C ATOM 469 C ALA A 30 -1.309 -10.624 8.404 1.00 41.31 C ATOM 470 O ALA A 30 -0.726 -9.547 8.221 1.00 75.40 O ATOM 471 CB ALA A 30 -3.413 -11.778 7.528 1.00 70.50 C ATOM 0 H ALA A 30 -1.059 -12.507 5.692 1.00 64.43 H new ATOM 0 HA ALA A 30 -1.961 -10.645 6.402 1.00 21.12 H new ATOM 0 HB1 ALA A 30 -3.961 -10.911 7.898 1.00 70.50 H new ATOM 0 HB2 ALA A 30 -3.892 -12.151 6.622 1.00 70.50 H new ATOM 0 HB3 ALA A 30 -3.415 -12.560 8.287 1.00 70.50 H new ATOM 477 N GLU A 31 -1.403 -11.212 9.622 1.00 34.24 N ATOM 478 CA GLU A 31 -0.790 -10.647 10.846 1.00 44.21 C ATOM 479 C GLU A 31 0.746 -10.689 10.756 1.00 32.12 C ATOM 480 O GLU A 31 1.436 -9.836 11.312 1.00 21.45 O ATOM 481 CB GLU A 31 -1.293 -11.374 12.124 1.00 63.32 C ATOM 482 CG GLU A 31 -0.843 -10.701 13.446 1.00 33.25 C ATOM 483 CD GLU A 31 -1.570 -11.243 14.681 1.00 53.41 C ATOM 484 OE1 GLU A 31 -2.666 -10.734 15.007 1.00 54.10 O ATOM 485 OE2 GLU A 31 -1.062 -12.178 15.326 1.00 41.22 O ATOM 0 H GLU A 31 -1.903 -12.086 9.781 1.00 34.24 H new ATOM 0 HA GLU A 31 -1.100 -9.605 10.920 1.00 44.21 H new ATOM 0 HB2 GLU A 31 -2.382 -11.417 12.101 1.00 63.32 H new ATOM 0 HB3 GLU A 31 -0.933 -12.403 12.110 1.00 63.32 H new ATOM 0 HG2 GLU A 31 0.230 -10.846 13.572 1.00 33.25 H new ATOM 0 HG3 GLU A 31 -1.014 -9.627 13.375 1.00 33.25 H new ATOM 492 N GLU A 32 1.256 -11.687 10.028 1.00 3.43 N ATOM 493 CA GLU A 32 2.685 -11.822 9.721 1.00 32.45 C ATOM 494 C GLU A 32 3.125 -10.770 8.668 1.00 32.14 C ATOM 495 O GLU A 32 4.271 -10.310 8.668 1.00 72.44 O ATOM 496 CB GLU A 32 2.950 -13.261 9.212 1.00 1.45 C ATOM 497 CG GLU A 32 2.441 -14.395 10.130 1.00 62.31 C ATOM 498 CD GLU A 32 3.076 -14.385 11.532 1.00 33.12 C ATOM 499 OE1 GLU A 32 4.206 -14.904 11.687 1.00 31.30 O ATOM 500 OE2 GLU A 32 2.450 -13.865 12.489 1.00 64.34 O ATOM 0 H GLU A 32 0.683 -12.432 9.631 1.00 3.43 H new ATOM 0 HA GLU A 32 3.271 -11.642 10.622 1.00 32.45 H new ATOM 0 HB2 GLU A 32 2.484 -13.373 8.233 1.00 1.45 H new ATOM 0 HB3 GLU A 32 4.024 -13.386 9.070 1.00 1.45 H new ATOM 0 HG2 GLU A 32 1.359 -14.312 10.230 1.00 62.31 H new ATOM 0 HG3 GLU A 32 2.645 -15.355 9.655 1.00 62.31 H new ATOM 507 N ALA A 33 2.182 -10.394 7.783 1.00 3.25 N ATOM 508 CA ALA A 33 2.382 -9.350 6.757 1.00 33.15 C ATOM 509 C ALA A 33 2.421 -7.931 7.373 1.00 10.14 C ATOM 510 O ALA A 33 2.960 -7.016 6.754 1.00 12.52 O ATOM 511 CB ALA A 33 1.303 -9.458 5.670 1.00 25.11 C ATOM 0 H ALA A 33 1.251 -10.810 7.759 1.00 3.25 H new ATOM 0 HA ALA A 33 3.356 -9.518 6.296 1.00 33.15 H new ATOM 0 HB1 ALA A 33 1.463 -8.683 4.921 1.00 25.11 H new ATOM 0 HB2 ALA A 33 1.361 -10.438 5.196 1.00 25.11 H new ATOM 0 HB3 ALA A 33 0.319 -9.330 6.120 1.00 25.11 H new ATOM 517 N LYS A 34 1.816 -7.761 8.576 1.00 40.13 N ATOM 518 CA LYS A 34 1.722 -6.454 9.292 1.00 43.23 C ATOM 519 C LYS A 34 3.086 -5.745 9.499 1.00 70.04 C ATOM 520 O LYS A 34 3.132 -4.516 9.610 1.00 32.51 O ATOM 521 CB LYS A 34 1.023 -6.643 10.659 1.00 41.52 C ATOM 522 CG LYS A 34 -0.453 -7.077 10.562 1.00 34.43 C ATOM 523 CD LYS A 34 -1.390 -5.990 10.000 1.00 61.43 C ATOM 524 CE LYS A 34 -1.498 -4.771 10.928 1.00 64.00 C ATOM 525 NZ LYS A 34 -2.573 -3.854 10.495 1.00 33.44 N ATOM 0 H LYS A 34 1.376 -8.529 9.083 1.00 40.13 H new ATOM 0 HA LYS A 34 1.132 -5.804 8.645 1.00 43.23 H new ATOM 0 HB2 LYS A 34 1.572 -7.389 11.234 1.00 41.52 H new ATOM 0 HB3 LYS A 34 1.079 -5.707 11.215 1.00 41.52 H new ATOM 0 HG2 LYS A 34 -0.520 -7.962 9.930 1.00 34.43 H new ATOM 0 HG3 LYS A 34 -0.802 -7.366 11.553 1.00 34.43 H new ATOM 0 HD2 LYS A 34 -1.025 -5.669 9.024 1.00 61.43 H new ATOM 0 HD3 LYS A 34 -2.382 -6.414 9.845 1.00 61.43 H new ATOM 0 HE2 LYS A 34 -1.692 -5.105 11.947 1.00 64.00 H new ATOM 0 HE3 LYS A 34 -0.547 -4.238 10.942 1.00 64.00 H new ATOM 0 HZ1 LYS A 34 -2.367 -2.893 10.835 1.00 33.44 H new ATOM 0 HZ2 LYS A 34 -2.628 -3.849 9.456 1.00 33.44 H new ATOM 0 HZ3 LYS A 34 -3.481 -4.174 10.888 1.00 33.44 H new ATOM 539 N GLU A 35 4.173 -6.528 9.586 1.00 60.22 N ATOM 540 CA GLU A 35 5.551 -5.994 9.678 1.00 61.44 C ATOM 541 C GLU A 35 5.887 -5.186 8.401 1.00 55.31 C ATOM 542 O GLU A 35 6.351 -4.038 8.473 1.00 21.45 O ATOM 543 CB GLU A 35 6.544 -7.178 9.880 1.00 60.42 C ATOM 544 CG GLU A 35 7.920 -6.809 10.489 1.00 24.31 C ATOM 545 CD GLU A 35 8.848 -5.984 9.574 1.00 71.35 C ATOM 546 OE1 GLU A 35 9.142 -6.434 8.438 1.00 60.34 O ATOM 547 OE2 GLU A 35 9.301 -4.899 9.991 1.00 61.11 O ATOM 0 H GLU A 35 4.127 -7.547 9.595 1.00 60.22 H new ATOM 0 HA GLU A 35 5.637 -5.320 10.531 1.00 61.44 H new ATOM 0 HB2 GLU A 35 6.070 -7.919 10.524 1.00 60.42 H new ATOM 0 HB3 GLU A 35 6.712 -7.655 8.915 1.00 60.42 H new ATOM 0 HG2 GLU A 35 7.753 -6.249 11.409 1.00 24.31 H new ATOM 0 HG3 GLU A 35 8.435 -7.729 10.765 1.00 24.31 H new ATOM 554 N LEU A 36 5.595 -5.810 7.241 1.00 1.44 N ATOM 555 CA LEU A 36 5.795 -5.217 5.905 1.00 52.35 C ATOM 556 C LEU A 36 4.866 -4.005 5.702 1.00 21.10 C ATOM 557 O LEU A 36 5.233 -3.039 5.038 1.00 42.12 O ATOM 558 CB LEU A 36 5.534 -6.266 4.781 1.00 12.04 C ATOM 559 CG LEU A 36 6.550 -7.454 4.650 1.00 53.31 C ATOM 560 CD1 LEU A 36 8.014 -6.947 4.603 1.00 41.54 C ATOM 561 CD2 LEU A 36 6.341 -8.547 5.740 1.00 62.11 C ATOM 0 H LEU A 36 5.208 -6.753 7.207 1.00 1.44 H new ATOM 0 HA LEU A 36 6.832 -4.887 5.844 1.00 52.35 H new ATOM 0 HB2 LEU A 36 4.541 -6.688 4.938 1.00 12.04 H new ATOM 0 HB3 LEU A 36 5.509 -5.738 3.828 1.00 12.04 H new ATOM 0 HG LEU A 36 6.344 -7.939 3.696 1.00 53.31 H new ATOM 0 HD11 LEU A 36 8.691 -7.797 4.512 1.00 41.54 H new ATOM 0 HD12 LEU A 36 8.143 -6.287 3.745 1.00 41.54 H new ATOM 0 HD13 LEU A 36 8.239 -6.400 5.519 1.00 41.54 H new ATOM 0 HD21 LEU A 36 7.071 -9.344 5.601 1.00 62.11 H new ATOM 0 HD22 LEU A 36 6.470 -8.105 6.728 1.00 62.11 H new ATOM 0 HD23 LEU A 36 5.335 -8.958 5.655 1.00 62.11 H new ATOM 573 N LEU A 37 3.662 -4.101 6.288 1.00 62.01 N ATOM 574 CA LEU A 37 2.638 -3.037 6.281 1.00 71.04 C ATOM 575 C LEU A 37 3.176 -1.745 6.887 1.00 5.31 C ATOM 576 O LEU A 37 2.991 -0.657 6.321 1.00 23.02 O ATOM 577 CB LEU A 37 1.391 -3.563 7.046 1.00 41.41 C ATOM 578 CG LEU A 37 0.237 -2.557 7.417 1.00 61.10 C ATOM 579 CD1 LEU A 37 -1.137 -3.248 7.320 1.00 24.43 C ATOM 580 CD2 LEU A 37 0.436 -1.940 8.836 1.00 23.43 C ATOM 0 H LEU A 37 3.364 -4.937 6.791 1.00 62.01 H new ATOM 0 HA LEU A 37 2.358 -2.794 5.256 1.00 71.04 H new ATOM 0 HB2 LEU A 37 0.951 -4.361 6.447 1.00 41.41 H new ATOM 0 HB3 LEU A 37 1.742 -4.016 7.973 1.00 41.41 H new ATOM 0 HG LEU A 37 0.274 -1.741 6.696 1.00 61.10 H new ATOM 0 HD11 LEU A 37 -1.921 -2.537 7.580 1.00 24.43 H new ATOM 0 HD12 LEU A 37 -1.294 -3.605 6.302 1.00 24.43 H new ATOM 0 HD13 LEU A 37 -1.169 -4.092 8.009 1.00 24.43 H new ATOM 0 HD21 LEU A 37 -0.382 -1.252 9.052 1.00 23.43 H new ATOM 0 HD22 LEU A 37 0.447 -2.736 9.581 1.00 23.43 H new ATOM 0 HD23 LEU A 37 1.382 -1.400 8.869 1.00 23.43 H new ATOM 592 N LYS A 38 3.846 -1.896 8.043 1.00 75.35 N ATOM 593 CA LYS A 38 4.475 -0.789 8.746 1.00 53.11 C ATOM 594 C LYS A 38 5.590 -0.184 7.885 1.00 75.24 C ATOM 595 O LYS A 38 5.583 1.011 7.632 1.00 61.32 O ATOM 596 CB LYS A 38 5.036 -1.265 10.109 1.00 4.11 C ATOM 597 CG LYS A 38 5.744 -0.147 10.903 1.00 44.01 C ATOM 598 CD LYS A 38 6.343 -0.619 12.242 1.00 42.50 C ATOM 599 CE LYS A 38 7.068 0.520 12.975 1.00 55.30 C ATOM 600 NZ LYS A 38 7.645 0.067 14.264 1.00 11.23 N ATOM 0 H LYS A 38 3.961 -2.796 8.509 1.00 75.35 H new ATOM 0 HA LYS A 38 3.726 -0.020 8.934 1.00 53.11 H new ATOM 0 HB2 LYS A 38 4.220 -1.666 10.710 1.00 4.11 H new ATOM 0 HB3 LYS A 38 5.738 -2.081 9.940 1.00 4.11 H new ATOM 0 HG2 LYS A 38 6.539 0.275 10.288 1.00 44.01 H new ATOM 0 HG3 LYS A 38 5.032 0.655 11.097 1.00 44.01 H new ATOM 0 HD2 LYS A 38 5.549 -1.013 12.877 1.00 42.50 H new ATOM 0 HD3 LYS A 38 7.041 -1.437 12.060 1.00 42.50 H new ATOM 0 HE2 LYS A 38 7.862 0.914 12.340 1.00 55.30 H new ATOM 0 HE3 LYS A 38 6.370 1.337 13.157 1.00 55.30 H new ATOM 0 HZ1 LYS A 38 8.126 0.864 14.728 1.00 11.23 H new ATOM 0 HZ2 LYS A 38 6.885 -0.285 14.880 1.00 11.23 H new ATOM 0 HZ3 LYS A 38 8.330 -0.696 14.089 1.00 11.23 H new ATOM 614 N LYS A 39 6.501 -1.055 7.393 1.00 61.11 N ATOM 615 CA LYS A 39 7.687 -0.652 6.609 1.00 52.15 C ATOM 616 C LYS A 39 7.315 0.176 5.361 1.00 44.41 C ATOM 617 O LYS A 39 7.957 1.190 5.083 1.00 73.55 O ATOM 618 CB LYS A 39 8.520 -1.909 6.214 1.00 65.21 C ATOM 619 CG LYS A 39 9.268 -2.571 7.396 1.00 45.44 C ATOM 620 CD LYS A 39 10.369 -1.649 7.983 1.00 41.44 C ATOM 621 CE LYS A 39 11.063 -2.244 9.220 1.00 64.21 C ATOM 622 NZ LYS A 39 11.650 -3.580 8.948 1.00 62.21 N ATOM 0 H LYS A 39 6.432 -2.063 7.531 1.00 61.11 H new ATOM 0 HA LYS A 39 8.294 -0.005 7.243 1.00 52.15 H new ATOM 0 HB2 LYS A 39 7.855 -2.645 5.762 1.00 65.21 H new ATOM 0 HB3 LYS A 39 9.246 -1.625 5.452 1.00 65.21 H new ATOM 0 HG2 LYS A 39 8.554 -2.825 8.179 1.00 45.44 H new ATOM 0 HG3 LYS A 39 9.719 -3.505 7.061 1.00 45.44 H new ATOM 0 HD2 LYS A 39 11.117 -1.452 7.215 1.00 41.44 H new ATOM 0 HD3 LYS A 39 9.926 -0.689 8.250 1.00 41.44 H new ATOM 0 HE2 LYS A 39 11.848 -1.566 9.555 1.00 64.21 H new ATOM 0 HE3 LYS A 39 10.343 -2.325 10.034 1.00 64.21 H new ATOM 0 HZ1 LYS A 39 12.540 -3.682 9.476 1.00 62.21 H new ATOM 0 HZ2 LYS A 39 10.983 -4.320 9.248 1.00 62.21 H new ATOM 0 HZ3 LYS A 39 11.838 -3.676 7.930 1.00 62.21 H new ATOM 636 N VAL A 40 6.262 -0.249 4.641 1.00 53.55 N ATOM 637 CA VAL A 40 5.755 0.478 3.466 1.00 40.43 C ATOM 638 C VAL A 40 5.217 1.866 3.881 1.00 22.34 C ATOM 639 O VAL A 40 5.635 2.880 3.326 1.00 12.33 O ATOM 640 CB VAL A 40 4.645 -0.347 2.708 1.00 3.53 C ATOM 641 CG1 VAL A 40 3.973 0.496 1.602 1.00 50.13 C ATOM 642 CG2 VAL A 40 5.235 -1.658 2.118 1.00 31.04 C ATOM 0 H VAL A 40 5.742 -1.100 4.856 1.00 53.55 H new ATOM 0 HA VAL A 40 6.587 0.618 2.776 1.00 40.43 H new ATOM 0 HB VAL A 40 3.878 -0.613 3.435 1.00 3.53 H new ATOM 0 HG11 VAL A 40 3.213 -0.102 1.099 1.00 50.13 H new ATOM 0 HG12 VAL A 40 3.507 1.375 2.047 1.00 50.13 H new ATOM 0 HG13 VAL A 40 4.724 0.811 0.878 1.00 50.13 H new ATOM 0 HG21 VAL A 40 4.450 -2.209 1.600 1.00 31.04 H new ATOM 0 HG22 VAL A 40 6.032 -1.414 1.415 1.00 31.04 H new ATOM 0 HG23 VAL A 40 5.638 -2.271 2.924 1.00 31.04 H new ATOM 652 N ALA A 41 4.340 1.887 4.902 1.00 1.23 N ATOM 653 CA ALA A 41 3.653 3.117 5.355 1.00 11.50 C ATOM 654 C ALA A 41 4.616 4.153 5.989 1.00 62.52 C ATOM 655 O ALA A 41 4.375 5.361 5.886 1.00 20.23 O ATOM 656 CB ALA A 41 2.507 2.745 6.306 1.00 73.04 C ATOM 0 H ALA A 41 4.086 1.056 5.436 1.00 1.23 H new ATOM 0 HA ALA A 41 3.240 3.610 4.475 1.00 11.50 H new ATOM 0 HB1 ALA A 41 2.002 3.652 6.639 1.00 73.04 H new ATOM 0 HB2 ALA A 41 1.796 2.104 5.785 1.00 73.04 H new ATOM 0 HB3 ALA A 41 2.908 2.215 7.170 1.00 73.04 H new ATOM 662 N GLU A 42 5.699 3.662 6.631 1.00 3.14 N ATOM 663 CA GLU A 42 6.744 4.514 7.247 1.00 53.21 C ATOM 664 C GLU A 42 7.559 5.231 6.158 1.00 24.50 C ATOM 665 O GLU A 42 7.690 6.460 6.161 1.00 44.32 O ATOM 666 CB GLU A 42 7.702 3.651 8.125 1.00 1.31 C ATOM 667 CG GLU A 42 7.080 3.069 9.415 1.00 30.20 C ATOM 668 CD GLU A 42 6.808 4.120 10.507 1.00 41.22 C ATOM 669 OE1 GLU A 42 7.714 4.387 11.326 1.00 2.30 O ATOM 670 OE2 GLU A 42 5.696 4.689 10.551 1.00 14.11 O ATOM 0 H GLU A 42 5.875 2.663 6.738 1.00 3.14 H new ATOM 0 HA GLU A 42 6.252 5.256 7.876 1.00 53.21 H new ATOM 0 HB2 GLU A 42 8.077 2.826 7.519 1.00 1.31 H new ATOM 0 HB3 GLU A 42 8.562 4.261 8.401 1.00 1.31 H new ATOM 0 HG2 GLU A 42 6.144 2.571 9.162 1.00 30.20 H new ATOM 0 HG3 GLU A 42 7.748 2.307 9.817 1.00 30.20 H new ATOM 677 N LYS A 43 8.078 4.428 5.214 1.00 34.21 N ATOM 678 CA LYS A 43 9.003 4.894 4.172 1.00 42.33 C ATOM 679 C LYS A 43 8.285 5.785 3.153 1.00 11.33 C ATOM 680 O LYS A 43 8.777 6.872 2.832 1.00 62.22 O ATOM 681 CB LYS A 43 9.676 3.671 3.496 1.00 53.43 C ATOM 682 CG LYS A 43 10.540 2.850 4.477 1.00 63.32 C ATOM 683 CD LYS A 43 11.176 1.592 3.847 1.00 70.34 C ATOM 684 CE LYS A 43 11.999 0.803 4.875 1.00 21.04 C ATOM 685 NZ LYS A 43 12.747 -0.324 4.267 1.00 30.25 N ATOM 0 H LYS A 43 7.865 3.432 5.154 1.00 34.21 H new ATOM 0 HA LYS A 43 9.780 5.507 4.630 1.00 42.33 H new ATOM 0 HB2 LYS A 43 8.907 3.027 3.070 1.00 53.43 H new ATOM 0 HB3 LYS A 43 10.298 4.014 2.670 1.00 53.43 H new ATOM 0 HG2 LYS A 43 11.332 3.488 4.870 1.00 63.32 H new ATOM 0 HG3 LYS A 43 9.924 2.548 5.324 1.00 63.32 H new ATOM 0 HD2 LYS A 43 10.393 0.953 3.438 1.00 70.34 H new ATOM 0 HD3 LYS A 43 11.816 1.885 3.014 1.00 70.34 H new ATOM 0 HE2 LYS A 43 12.701 1.477 5.366 1.00 21.04 H new ATOM 0 HE3 LYS A 43 11.334 0.417 5.648 1.00 21.04 H new ATOM 0 HZ1 LYS A 43 13.285 -0.822 5.005 1.00 30.25 H new ATOM 0 HZ2 LYS A 43 12.078 -0.984 3.821 1.00 30.25 H new ATOM 0 HZ3 LYS A 43 13.403 0.042 3.548 1.00 30.25 H new ATOM 699 N ALA A 44 7.093 5.332 2.701 1.00 55.13 N ATOM 700 CA ALA A 44 6.256 6.062 1.723 1.00 14.11 C ATOM 701 C ALA A 44 5.915 7.471 2.224 1.00 32.35 C ATOM 702 O ALA A 44 5.903 8.420 1.438 1.00 70.20 O ATOM 703 CB ALA A 44 4.974 5.278 1.407 1.00 55.45 C ATOM 0 H ALA A 44 6.684 4.448 3.005 1.00 55.13 H new ATOM 0 HA ALA A 44 6.834 6.162 0.804 1.00 14.11 H new ATOM 0 HB1 ALA A 44 4.375 5.835 0.686 1.00 55.45 H new ATOM 0 HB2 ALA A 44 5.236 4.306 0.988 1.00 55.45 H new ATOM 0 HB3 ALA A 44 4.400 5.136 2.322 1.00 55.45 H new ATOM 709 N ALA A 45 5.709 7.582 3.555 1.00 54.44 N ATOM 710 CA ALA A 45 5.412 8.850 4.232 1.00 35.11 C ATOM 711 C ALA A 45 6.514 9.908 4.007 1.00 13.12 C ATOM 712 O ALA A 45 6.217 11.105 3.902 1.00 72.34 O ATOM 713 CB ALA A 45 5.195 8.604 5.732 1.00 73.35 C ATOM 0 H ALA A 45 5.746 6.784 4.189 1.00 54.44 H new ATOM 0 HA ALA A 45 4.497 9.250 3.795 1.00 35.11 H new ATOM 0 HB1 ALA A 45 4.975 9.550 6.228 1.00 73.35 H new ATOM 0 HB2 ALA A 45 4.359 7.918 5.871 1.00 73.35 H new ATOM 0 HB3 ALA A 45 6.097 8.169 6.164 1.00 73.35 H new ATOM 719 N ASP A 46 7.779 9.450 3.913 1.00 73.04 N ATOM 720 CA ASP A 46 8.939 10.333 3.660 1.00 15.32 C ATOM 721 C ASP A 46 8.992 10.815 2.196 1.00 14.42 C ATOM 722 O ASP A 46 9.411 11.942 1.954 1.00 21.34 O ATOM 723 CB ASP A 46 10.283 9.647 4.035 1.00 65.33 C ATOM 724 CG ASP A 46 10.462 9.449 5.553 1.00 75.34 C ATOM 725 OD1 ASP A 46 10.593 10.464 6.280 1.00 20.40 O ATOM 726 OD2 ASP A 46 10.485 8.293 6.029 1.00 74.41 O ATOM 0 H ASP A 46 8.026 8.465 4.009 1.00 73.04 H new ATOM 0 HA ASP A 46 8.802 11.202 4.303 1.00 15.32 H new ATOM 0 HB2 ASP A 46 10.339 8.678 3.540 1.00 65.33 H new ATOM 0 HB3 ASP A 46 11.109 10.248 3.654 1.00 65.33 H new ATOM 731 N LYS A 47 8.575 9.964 1.219 1.00 0.02 N ATOM 732 CA LYS A 47 8.558 10.359 -0.228 1.00 41.33 C ATOM 733 C LYS A 47 7.522 11.485 -0.467 1.00 70.32 C ATOM 734 O LYS A 47 7.782 12.449 -1.199 1.00 53.32 O ATOM 735 CB LYS A 47 8.251 9.160 -1.192 1.00 64.13 C ATOM 736 CG LYS A 47 9.361 8.072 -1.333 1.00 41.44 C ATOM 737 CD LYS A 47 9.375 7.071 -0.164 1.00 73.12 C ATOM 738 CE LYS A 47 10.381 5.913 -0.334 1.00 42.24 C ATOM 739 NZ LYS A 47 11.793 6.352 -0.230 1.00 31.20 N ATOM 0 H LYS A 47 8.250 9.014 1.397 1.00 0.02 H new ATOM 0 HA LYS A 47 9.563 10.713 -0.459 1.00 41.33 H new ATOM 0 HB2 LYS A 47 7.338 8.673 -0.849 1.00 64.13 H new ATOM 0 HB3 LYS A 47 8.043 9.564 -2.183 1.00 64.13 H new ATOM 0 HG2 LYS A 47 9.213 7.529 -2.267 1.00 41.44 H new ATOM 0 HG3 LYS A 47 10.334 8.560 -1.398 1.00 41.44 H new ATOM 0 HD2 LYS A 47 9.608 7.607 0.756 1.00 73.12 H new ATOM 0 HD3 LYS A 47 8.375 6.654 -0.046 1.00 73.12 H new ATOM 0 HE2 LYS A 47 10.185 5.155 0.424 1.00 42.24 H new ATOM 0 HE3 LYS A 47 10.223 5.442 -1.304 1.00 42.24 H new ATOM 0 HZ1 LYS A 47 12.421 5.532 -0.352 1.00 31.20 H new ATOM 0 HZ2 LYS A 47 11.993 7.055 -0.970 1.00 31.20 H new ATOM 0 HZ3 LYS A 47 11.956 6.777 0.705 1.00 31.20 H new ATOM 753 N ILE A 48 6.363 11.341 0.202 1.00 11.10 N ATOM 754 CA ILE A 48 5.226 12.285 0.122 1.00 10.34 C ATOM 755 C ILE A 48 5.579 13.613 0.822 1.00 71.14 C ATOM 756 O ILE A 48 5.144 14.683 0.406 1.00 22.22 O ATOM 757 CB ILE A 48 3.939 11.640 0.763 1.00 11.41 C ATOM 758 CG1 ILE A 48 3.669 10.240 0.128 1.00 15.30 C ATOM 759 CG2 ILE A 48 2.694 12.559 0.627 1.00 61.12 C ATOM 760 CD1 ILE A 48 2.483 9.497 0.686 1.00 35.30 C ATOM 0 H ILE A 48 6.185 10.553 0.825 1.00 11.10 H new ATOM 0 HA ILE A 48 5.019 12.498 -0.927 1.00 10.34 H new ATOM 0 HB ILE A 48 4.126 11.517 1.830 1.00 11.41 H new ATOM 0 HG12 ILE A 48 3.525 10.368 -0.945 1.00 15.30 H new ATOM 0 HG13 ILE A 48 4.558 9.623 0.259 1.00 15.30 H new ATOM 0 HG21 ILE A 48 1.831 12.073 1.083 1.00 61.12 H new ATOM 0 HG22 ILE A 48 2.885 13.507 1.130 1.00 61.12 H new ATOM 0 HG23 ILE A 48 2.491 12.743 -0.428 1.00 61.12 H new ATOM 0 HD11 ILE A 48 2.383 8.538 0.178 1.00 35.30 H new ATOM 0 HD12 ILE A 48 2.628 9.329 1.753 1.00 35.30 H new ATOM 0 HD13 ILE A 48 1.579 10.086 0.531 1.00 35.30 H new ATOM 772 N LYS A 49 6.409 13.501 1.875 1.00 54.34 N ATOM 773 CA LYS A 49 6.843 14.625 2.728 1.00 20.31 C ATOM 774 C LYS A 49 7.586 15.732 1.934 1.00 2.44 C ATOM 775 O LYS A 49 7.559 16.900 2.332 1.00 2.31 O ATOM 776 CB LYS A 49 7.732 14.068 3.866 1.00 3.34 C ATOM 777 CG LYS A 49 8.052 15.059 5.003 1.00 74.22 C ATOM 778 CD LYS A 49 8.901 14.413 6.122 1.00 34.12 C ATOM 779 CE LYS A 49 8.222 13.189 6.772 1.00 31.02 C ATOM 780 NZ LYS A 49 9.102 12.536 7.774 1.00 53.10 N ATOM 0 H LYS A 49 6.806 12.607 2.164 1.00 54.34 H new ATOM 0 HA LYS A 49 5.955 15.102 3.142 1.00 20.31 H new ATOM 0 HB2 LYS A 49 7.238 13.196 4.295 1.00 3.34 H new ATOM 0 HB3 LYS A 49 8.671 13.722 3.434 1.00 3.34 H new ATOM 0 HG2 LYS A 49 8.586 15.917 4.595 1.00 74.22 H new ATOM 0 HG3 LYS A 49 7.121 15.435 5.427 1.00 74.22 H new ATOM 0 HD2 LYS A 49 9.863 14.110 5.710 1.00 34.12 H new ATOM 0 HD3 LYS A 49 9.104 15.158 6.891 1.00 34.12 H new ATOM 0 HE2 LYS A 49 7.294 13.501 7.252 1.00 31.02 H new ATOM 0 HE3 LYS A 49 7.955 12.469 5.999 1.00 31.02 H new ATOM 0 HZ1 LYS A 49 8.519 12.111 8.523 1.00 53.10 H new ATOM 0 HZ2 LYS A 49 9.665 11.795 7.311 1.00 53.10 H new ATOM 0 HZ3 LYS A 49 9.739 13.245 8.191 1.00 53.10 H new ATOM 794 N LYS A 50 8.253 15.352 0.823 1.00 64.43 N ATOM 795 CA LYS A 50 8.987 16.310 -0.052 1.00 35.42 C ATOM 796 C LYS A 50 8.035 17.316 -0.740 1.00 2.13 C ATOM 797 O LYS A 50 8.443 18.439 -1.058 1.00 62.24 O ATOM 798 CB LYS A 50 9.837 15.560 -1.132 1.00 3.13 C ATOM 799 CG LYS A 50 11.214 15.048 -0.647 1.00 74.30 C ATOM 800 CD LYS A 50 11.110 14.051 0.519 1.00 34.32 C ATOM 801 CE LYS A 50 12.470 13.570 1.037 1.00 64.43 C ATOM 802 NZ LYS A 50 12.312 12.682 2.216 1.00 70.11 N ATOM 0 H LYS A 50 8.302 14.384 0.504 1.00 64.43 H new ATOM 0 HA LYS A 50 9.659 16.870 0.599 1.00 35.42 H new ATOM 0 HB2 LYS A 50 9.261 14.711 -1.500 1.00 3.13 H new ATOM 0 HB3 LYS A 50 9.993 16.230 -1.978 1.00 3.13 H new ATOM 0 HG2 LYS A 50 11.732 14.572 -1.480 1.00 74.30 H new ATOM 0 HG3 LYS A 50 11.823 15.898 -0.338 1.00 74.30 H new ATOM 0 HD2 LYS A 50 10.563 14.518 1.338 1.00 34.32 H new ATOM 0 HD3 LYS A 50 10.527 13.188 0.197 1.00 34.32 H new ATOM 0 HE2 LYS A 50 12.996 13.037 0.245 1.00 64.43 H new ATOM 0 HE3 LYS A 50 13.084 14.429 1.305 1.00 64.43 H new ATOM 0 HZ1 LYS A 50 12.953 11.868 2.126 1.00 70.11 H new ATOM 0 HZ2 LYS A 50 12.542 13.210 3.082 1.00 70.11 H new ATOM 0 HZ3 LYS A 50 11.330 12.345 2.267 1.00 70.11 H new ATOM 816 N GLN A 51 6.778 16.891 -0.974 1.00 74.51 N ATOM 817 CA GLN A 51 5.765 17.704 -1.671 1.00 32.13 C ATOM 818 C GLN A 51 4.357 17.207 -1.301 1.00 1.20 C ATOM 819 O GLN A 51 3.656 17.837 -0.505 1.00 35.21 O ATOM 820 CB GLN A 51 6.001 17.648 -3.212 1.00 71.33 C ATOM 821 CG GLN A 51 4.976 18.432 -4.061 1.00 0.45 C ATOM 822 CD GLN A 51 5.275 18.383 -5.560 1.00 62.03 C ATOM 823 OE1 GLN A 51 4.825 17.488 -6.280 1.00 71.01 O ATOM 824 NE2 GLN A 51 6.046 19.340 -6.041 1.00 11.13 N ATOM 0 H GLN A 51 6.437 15.974 -0.685 1.00 74.51 H new ATOM 0 HA GLN A 51 5.853 18.744 -1.357 1.00 32.13 H new ATOM 0 HB2 GLN A 51 6.998 18.034 -3.426 1.00 71.33 H new ATOM 0 HB3 GLN A 51 5.989 16.605 -3.528 1.00 71.33 H new ATOM 0 HG2 GLN A 51 3.980 18.027 -3.882 1.00 0.45 H new ATOM 0 HG3 GLN A 51 4.961 19.472 -3.733 1.00 0.45 H new ATOM 0 HE21 GLN A 51 6.403 20.067 -5.421 1.00 11.13 H new ATOM 0 HE22 GLN A 51 6.285 19.353 -7.033 1.00 11.13 H new ATOM 833 N GLY A 52 3.975 16.048 -1.860 1.00 74.41 N ATOM 834 CA GLY A 52 2.639 15.492 -1.696 1.00 43.53 C ATOM 835 C GLY A 52 2.312 14.580 -2.858 1.00 15.03 C ATOM 836 O GLY A 52 1.713 15.028 -3.842 1.00 13.15 O ATOM 0 H GLY A 52 4.591 15.476 -2.438 1.00 74.41 H new ATOM 0 HA2 GLY A 52 2.579 14.937 -0.760 1.00 43.53 H new ATOM 0 HA3 GLY A 52 1.906 16.297 -1.637 1.00 43.53 H new ATOM 840 N CYS A 53 2.776 13.312 -2.767 1.00 50.44 N ATOM 841 CA CYS A 53 2.515 12.279 -3.775 1.00 40.21 C ATOM 842 C CYS A 53 1.000 12.018 -3.852 1.00 43.32 C ATOM 843 O CYS A 53 0.417 11.404 -2.945 1.00 40.24 O ATOM 844 CB CYS A 53 3.293 10.982 -3.443 1.00 61.02 C ATOM 845 SG CYS A 53 5.055 11.243 -3.142 1.00 23.32 S ATOM 0 H CYS A 53 3.344 12.984 -1.986 1.00 50.44 H new ATOM 0 HA CYS A 53 2.862 12.625 -4.748 1.00 40.21 H new ATOM 0 HB2 CYS A 53 2.849 10.519 -2.562 1.00 61.02 H new ATOM 0 HB3 CYS A 53 3.175 10.278 -4.267 1.00 61.02 H new ATOM 0 HG CYS A 53 5.732 10.895 -4.196 1.00 23.32 H new ATOM 851 N LYS A 54 0.386 12.561 -4.916 1.00 55.53 N ATOM 852 CA LYS A 54 -1.061 12.505 -5.144 1.00 23.44 C ATOM 853 C LYS A 54 -1.518 11.073 -5.410 1.00 11.01 C ATOM 854 O LYS A 54 -2.628 10.693 -5.052 1.00 64.54 O ATOM 855 CB LYS A 54 -1.459 13.432 -6.325 1.00 21.00 C ATOM 856 CG LYS A 54 -2.983 13.475 -6.628 1.00 15.51 C ATOM 857 CD LYS A 54 -3.346 14.450 -7.772 1.00 41.24 C ATOM 858 CE LYS A 54 -2.920 15.897 -7.479 1.00 24.30 C ATOM 859 NZ LYS A 54 -3.264 16.818 -8.595 1.00 32.22 N ATOM 0 H LYS A 54 0.891 13.057 -5.650 1.00 55.53 H new ATOM 0 HA LYS A 54 -1.561 12.856 -4.241 1.00 23.44 H new ATOM 0 HB2 LYS A 54 -1.116 14.444 -6.107 1.00 21.00 H new ATOM 0 HB3 LYS A 54 -0.933 13.103 -7.221 1.00 21.00 H new ATOM 0 HG2 LYS A 54 -3.324 12.473 -6.890 1.00 15.51 H new ATOM 0 HG3 LYS A 54 -3.519 13.768 -5.725 1.00 15.51 H new ATOM 0 HD2 LYS A 54 -2.869 14.115 -8.693 1.00 41.24 H new ATOM 0 HD3 LYS A 54 -4.422 14.420 -7.941 1.00 41.24 H new ATOM 0 HE2 LYS A 54 -3.405 16.239 -6.565 1.00 24.30 H new ATOM 0 HE3 LYS A 54 -1.845 15.929 -7.301 1.00 24.30 H new ATOM 0 HZ1 LYS A 54 -2.959 17.783 -8.355 1.00 32.22 H new ATOM 0 HZ2 LYS A 54 -2.781 16.508 -9.462 1.00 32.22 H new ATOM 0 HZ3 LYS A 54 -4.293 16.808 -8.749 1.00 32.22 H new ATOM 873 N ARG A 55 -0.651 10.281 -6.054 1.00 70.33 N ATOM 874 CA ARG A 55 -0.941 8.882 -6.368 1.00 51.14 C ATOM 875 C ARG A 55 0.158 7.989 -5.788 1.00 11.04 C ATOM 876 O ARG A 55 1.308 8.024 -6.220 1.00 21.40 O ATOM 877 CB ARG A 55 -1.047 8.714 -7.909 1.00 1.30 C ATOM 878 CG ARG A 55 -2.174 9.570 -8.540 1.00 2.11 C ATOM 879 CD ARG A 55 -2.106 9.653 -10.073 1.00 24.32 C ATOM 880 NE ARG A 55 -3.141 10.563 -10.613 1.00 12.22 N ATOM 881 CZ ARG A 55 -2.994 11.887 -10.797 1.00 62.53 C ATOM 882 NH1 ARG A 55 -1.855 12.496 -10.480 1.00 75.23 N ATOM 883 NH2 ARG A 55 -4.014 12.606 -11.256 1.00 5.32 N ATOM 0 H ARG A 55 0.267 10.594 -6.370 1.00 70.33 H new ATOM 0 HA ARG A 55 -1.891 8.586 -5.922 1.00 51.14 H new ATOM 0 HB2 ARG A 55 -0.095 8.986 -8.364 1.00 1.30 H new ATOM 0 HB3 ARG A 55 -1.223 7.664 -8.142 1.00 1.30 H new ATOM 0 HG2 ARG A 55 -3.139 9.154 -8.251 1.00 2.11 H new ATOM 0 HG3 ARG A 55 -2.125 10.578 -8.128 1.00 2.11 H new ATOM 0 HD2 ARG A 55 -1.119 10.002 -10.376 1.00 24.32 H new ATOM 0 HD3 ARG A 55 -2.237 8.658 -10.499 1.00 24.32 H new ATOM 0 HE ARG A 55 -4.040 10.152 -10.866 1.00 12.22 H new ATOM 0 HH11 ARG A 55 -1.080 11.958 -10.092 1.00 75.23 H new ATOM 0 HH12 ARG A 55 -1.757 13.501 -10.625 1.00 75.23 H new ATOM 0 HH21 ARG A 55 -4.903 12.153 -11.467 1.00 5.32 H new ATOM 0 HH22 ARG A 55 -3.907 13.611 -11.397 1.00 5.32 H new ATOM 897 N VAL A 56 -0.231 7.192 -4.798 1.00 31.51 N ATOM 898 CA VAL A 56 0.566 6.089 -4.271 1.00 50.42 C ATOM 899 C VAL A 56 -0.172 4.829 -4.721 1.00 33.51 C ATOM 900 O VAL A 56 -1.305 4.604 -4.326 1.00 45.52 O ATOM 901 CB VAL A 56 0.636 6.154 -2.694 1.00 60.25 C ATOM 902 CG1 VAL A 56 1.337 4.911 -2.091 1.00 54.43 C ATOM 903 CG2 VAL A 56 1.312 7.466 -2.227 1.00 4.23 C ATOM 0 H VAL A 56 -1.130 7.297 -4.329 1.00 31.51 H new ATOM 0 HA VAL A 56 1.595 6.118 -4.629 1.00 50.42 H new ATOM 0 HB VAL A 56 -0.388 6.149 -2.321 1.00 60.25 H new ATOM 0 HG11 VAL A 56 1.362 4.999 -1.005 1.00 54.43 H new ATOM 0 HG12 VAL A 56 0.787 4.012 -2.370 1.00 54.43 H new ATOM 0 HG13 VAL A 56 2.356 4.846 -2.474 1.00 54.43 H new ATOM 0 HG21 VAL A 56 1.349 7.489 -1.138 1.00 4.23 H new ATOM 0 HG22 VAL A 56 2.325 7.515 -2.626 1.00 4.23 H new ATOM 0 HG23 VAL A 56 0.738 8.319 -2.588 1.00 4.23 H new ATOM 913 N LYS A 57 0.463 4.012 -5.536 1.00 11.13 N ATOM 914 CA LYS A 57 -0.228 2.946 -6.270 1.00 33.04 C ATOM 915 C LYS A 57 0.135 1.581 -5.696 1.00 43.41 C ATOM 916 O LYS A 57 1.270 1.134 -5.808 1.00 62.53 O ATOM 917 CB LYS A 57 0.144 3.094 -7.771 1.00 2.34 C ATOM 918 CG LYS A 57 -0.512 4.345 -8.431 1.00 5.52 C ATOM 919 CD LYS A 57 0.284 4.905 -9.626 1.00 1.20 C ATOM 920 CE LYS A 57 0.550 3.879 -10.737 1.00 55.44 C ATOM 921 NZ LYS A 57 1.332 4.469 -11.854 1.00 64.52 N ATOM 0 H LYS A 57 1.466 4.059 -5.715 1.00 11.13 H new ATOM 0 HA LYS A 57 -1.310 3.030 -6.168 1.00 33.04 H new ATOM 0 HB2 LYS A 57 1.228 3.163 -7.868 1.00 2.34 H new ATOM 0 HB3 LYS A 57 -0.168 2.199 -8.309 1.00 2.34 H new ATOM 0 HG2 LYS A 57 -1.516 4.084 -8.765 1.00 5.52 H new ATOM 0 HG3 LYS A 57 -0.620 5.127 -7.679 1.00 5.52 H new ATOM 0 HD2 LYS A 57 -0.261 5.749 -10.048 1.00 1.20 H new ATOM 0 HD3 LYS A 57 1.238 5.290 -9.265 1.00 1.20 H new ATOM 0 HE2 LYS A 57 1.091 3.027 -10.324 1.00 55.44 H new ATOM 0 HE3 LYS A 57 -0.399 3.500 -11.117 1.00 55.44 H new ATOM 0 HZ1 LYS A 57 1.737 3.707 -12.435 1.00 64.52 H new ATOM 0 HZ2 LYS A 57 0.708 5.058 -12.442 1.00 64.52 H new ATOM 0 HZ3 LYS A 57 2.100 5.055 -11.469 1.00 64.52 H new ATOM 935 N ILE A 58 -0.861 0.921 -5.097 1.00 12.44 N ATOM 936 CA ILE A 58 -0.723 -0.428 -4.559 1.00 65.00 C ATOM 937 C ILE A 58 -1.269 -1.393 -5.623 1.00 11.53 C ATOM 938 O ILE A 58 -2.469 -1.415 -5.919 1.00 5.11 O ATOM 939 CB ILE A 58 -1.533 -0.583 -3.208 1.00 45.53 C ATOM 940 CG1 ILE A 58 -0.976 0.387 -2.107 1.00 72.43 C ATOM 941 CG2 ILE A 58 -1.538 -2.058 -2.719 1.00 71.41 C ATOM 942 CD1 ILE A 58 -1.728 0.367 -0.779 1.00 5.31 C ATOM 0 H ILE A 58 -1.793 1.316 -4.973 1.00 12.44 H new ATOM 0 HA ILE A 58 0.321 -0.644 -4.334 1.00 65.00 H new ATOM 0 HB ILE A 58 -2.568 -0.303 -3.403 1.00 45.53 H new ATOM 0 HG12 ILE A 58 0.068 0.135 -1.919 1.00 72.43 H new ATOM 0 HG13 ILE A 58 -0.993 1.404 -2.500 1.00 72.43 H new ATOM 0 HG21 ILE A 58 -2.102 -2.131 -1.789 1.00 71.41 H new ATOM 0 HG22 ILE A 58 -2.002 -2.691 -3.476 1.00 71.41 H new ATOM 0 HG23 ILE A 58 -0.513 -2.388 -2.549 1.00 71.41 H new ATOM 0 HD11 ILE A 58 -1.265 1.071 -0.088 1.00 5.31 H new ATOM 0 HD12 ILE A 58 -2.767 0.652 -0.945 1.00 5.31 H new ATOM 0 HD13 ILE A 58 -1.690 -0.636 -0.355 1.00 5.31 H new ATOM 954 N ARG A 59 -0.356 -2.158 -6.213 1.00 74.34 N ATOM 955 CA ARG A 59 -0.662 -3.153 -7.237 1.00 64.24 C ATOM 956 C ARG A 59 -0.320 -4.517 -6.640 1.00 60.13 C ATOM 957 O ARG A 59 0.644 -4.641 -5.866 1.00 42.34 O ATOM 958 CB ARG A 59 0.161 -2.897 -8.540 1.00 33.45 C ATOM 959 CG ARG A 59 0.265 -1.412 -8.976 1.00 31.23 C ATOM 960 CD ARG A 59 0.768 -1.264 -10.424 1.00 2.40 C ATOM 961 NE ARG A 59 -0.226 -1.783 -11.389 1.00 62.51 N ATOM 962 CZ ARG A 59 0.037 -2.512 -12.485 1.00 43.44 C ATOM 963 NH1 ARG A 59 1.282 -2.855 -12.812 1.00 44.22 N ATOM 964 NH2 ARG A 59 -0.973 -2.923 -13.237 1.00 64.13 N ATOM 0 H ARG A 59 0.638 -2.103 -5.989 1.00 74.34 H new ATOM 0 HA ARG A 59 -1.713 -3.101 -7.520 1.00 64.24 H new ATOM 0 HB2 ARG A 59 1.168 -3.288 -8.397 1.00 33.45 H new ATOM 0 HB3 ARG A 59 -0.290 -3.467 -9.353 1.00 33.45 H new ATOM 0 HG2 ARG A 59 -0.712 -0.939 -8.883 1.00 31.23 H new ATOM 0 HG3 ARG A 59 0.941 -0.884 -8.303 1.00 31.23 H new ATOM 0 HD2 ARG A 59 0.972 -0.214 -10.636 1.00 2.40 H new ATOM 0 HD3 ARG A 59 1.709 -1.801 -10.542 1.00 2.40 H new ATOM 0 HE ARG A 59 -1.205 -1.566 -11.204 1.00 62.51 H new ATOM 0 HH11 ARG A 59 2.063 -2.563 -12.224 1.00 44.22 H new ATOM 0 HH12 ARG A 59 1.455 -3.410 -13.650 1.00 44.22 H new ATOM 0 HH21 ARG A 59 -1.931 -2.685 -12.979 1.00 64.13 H new ATOM 0 HH22 ARG A 59 -0.793 -3.478 -14.074 1.00 64.13 H new ATOM 978 N PHE A 60 -1.105 -5.521 -6.986 1.00 53.50 N ATOM 979 CA PHE A 60 -0.982 -6.858 -6.414 1.00 54.51 C ATOM 980 C PHE A 60 -1.542 -7.874 -7.416 1.00 42.23 C ATOM 981 O PHE A 60 -2.558 -7.612 -8.052 1.00 0.21 O ATOM 982 CB PHE A 60 -1.748 -6.891 -5.060 1.00 12.32 C ATOM 983 CG PHE A 60 -1.783 -8.252 -4.381 1.00 62.40 C ATOM 984 CD1 PHE A 60 -0.617 -8.800 -3.867 1.00 61.02 C ATOM 985 CD2 PHE A 60 -2.968 -8.991 -4.278 1.00 21.33 C ATOM 986 CE1 PHE A 60 -0.627 -10.032 -3.263 1.00 11.20 C ATOM 987 CE2 PHE A 60 -2.974 -10.228 -3.672 1.00 20.12 C ATOM 988 CZ PHE A 60 -1.799 -10.746 -3.167 1.00 74.20 C ATOM 0 H PHE A 60 -1.852 -5.436 -7.676 1.00 53.50 H new ATOM 0 HA PHE A 60 0.059 -7.115 -6.220 1.00 54.51 H new ATOM 0 HB2 PHE A 60 -1.288 -6.173 -4.381 1.00 12.32 H new ATOM 0 HB3 PHE A 60 -2.772 -6.559 -5.230 1.00 12.32 H new ATOM 0 HD1 PHE A 60 0.310 -8.250 -3.943 1.00 61.02 H new ATOM 0 HD2 PHE A 60 -3.886 -8.587 -4.678 1.00 21.33 H new ATOM 0 HE1 PHE A 60 0.288 -10.442 -2.862 1.00 11.20 H new ATOM 0 HE2 PHE A 60 -3.893 -10.789 -3.593 1.00 20.12 H new ATOM 0 HZ PHE A 60 -1.799 -11.717 -2.694 1.00 74.20 H new ATOM 998 N GLU A 61 -0.865 -9.022 -7.554 1.00 22.34 N ATOM 999 CA GLU A 61 -1.283 -10.098 -8.474 1.00 40.21 C ATOM 1000 C GLU A 61 -2.350 -10.978 -7.796 1.00 40.24 C ATOM 1001 O GLU A 61 -2.278 -11.212 -6.597 1.00 61.23 O ATOM 1002 CB GLU A 61 -0.053 -10.952 -8.869 1.00 72.23 C ATOM 1003 CG GLU A 61 -0.347 -12.052 -9.904 1.00 32.03 C ATOM 1004 CD GLU A 61 0.849 -12.966 -10.165 1.00 52.15 C ATOM 1005 OE1 GLU A 61 1.655 -12.665 -11.066 1.00 24.25 O ATOM 1006 OE2 GLU A 61 0.985 -13.994 -9.464 1.00 70.22 O ATOM 0 H GLU A 61 -0.014 -9.234 -7.034 1.00 22.34 H new ATOM 0 HA GLU A 61 -1.712 -9.659 -9.375 1.00 40.21 H new ATOM 0 HB2 GLU A 61 0.719 -10.293 -9.267 1.00 72.23 H new ATOM 0 HB3 GLU A 61 0.356 -11.415 -7.971 1.00 72.23 H new ATOM 0 HG2 GLU A 61 -1.187 -12.654 -9.557 1.00 32.03 H new ATOM 0 HG3 GLU A 61 -0.653 -11.588 -10.841 1.00 32.03 H new ATOM 1013 N LYS A 62 -3.316 -11.474 -8.580 1.00 42.13 N ATOM 1014 CA LYS A 62 -4.408 -12.349 -8.082 1.00 55.33 C ATOM 1015 C LYS A 62 -4.344 -13.728 -8.815 1.00 14.43 C ATOM 1016 O LYS A 62 -5.263 -14.546 -8.738 1.00 40.45 O ATOM 1017 CB LYS A 62 -5.787 -11.586 -8.268 1.00 35.34 C ATOM 1018 CG LYS A 62 -6.831 -11.765 -7.124 1.00 74.33 C ATOM 1019 CD LYS A 62 -7.428 -13.189 -7.037 1.00 64.03 C ATOM 1020 CE LYS A 62 -8.241 -13.575 -8.292 1.00 1.41 C ATOM 1021 NZ LYS A 62 -8.561 -15.021 -8.331 1.00 31.53 N ATOM 0 H LYS A 62 -3.371 -11.285 -9.581 1.00 42.13 H new ATOM 0 HA LYS A 62 -4.301 -12.565 -7.019 1.00 55.33 H new ATOM 0 HB2 LYS A 62 -5.578 -10.522 -8.378 1.00 35.34 H new ATOM 0 HB3 LYS A 62 -6.240 -11.920 -9.201 1.00 35.34 H new ATOM 0 HG2 LYS A 62 -6.358 -11.521 -6.173 1.00 74.33 H new ATOM 0 HG3 LYS A 62 -7.641 -11.050 -7.270 1.00 74.33 H new ATOM 0 HD2 LYS A 62 -6.621 -13.908 -6.897 1.00 64.03 H new ATOM 0 HD3 LYS A 62 -8.070 -13.256 -6.159 1.00 64.03 H new ATOM 0 HE2 LYS A 62 -9.166 -13.000 -8.314 1.00 1.41 H new ATOM 0 HE3 LYS A 62 -7.677 -13.306 -9.185 1.00 1.41 H new ATOM 0 HZ1 LYS A 62 -9.107 -15.233 -9.190 1.00 31.53 H new ATOM 0 HZ2 LYS A 62 -7.679 -15.572 -8.337 1.00 31.53 H new ATOM 0 HZ3 LYS A 62 -9.122 -15.275 -7.493 1.00 31.53 H new ATOM 1035 N LYS A 63 -3.209 -14.012 -9.478 1.00 73.32 N ATOM 1036 CA LYS A 63 -3.064 -15.204 -10.342 1.00 74.43 C ATOM 1037 C LYS A 63 -2.365 -16.363 -9.612 1.00 12.24 C ATOM 1038 O LYS A 63 -2.953 -17.439 -9.439 1.00 41.41 O ATOM 1039 CB LYS A 63 -2.316 -14.815 -11.649 1.00 61.33 C ATOM 1040 CG LYS A 63 -2.987 -13.700 -12.507 1.00 65.30 C ATOM 1041 CD LYS A 63 -4.155 -14.180 -13.420 1.00 54.24 C ATOM 1042 CE LYS A 63 -5.416 -14.624 -12.662 1.00 64.43 C ATOM 1043 NZ LYS A 63 -6.545 -14.924 -13.572 1.00 2.44 N ATOM 0 H LYS A 63 -2.372 -13.430 -9.433 1.00 73.32 H new ATOM 0 HA LYS A 63 -4.060 -15.563 -10.602 1.00 74.43 H new ATOM 0 HB2 LYS A 63 -1.310 -14.489 -11.386 1.00 61.33 H new ATOM 0 HB3 LYS A 63 -2.211 -15.708 -12.265 1.00 61.33 H new ATOM 0 HG2 LYS A 63 -3.364 -12.926 -11.838 1.00 65.30 H new ATOM 0 HG3 LYS A 63 -2.224 -13.237 -13.133 1.00 65.30 H new ATOM 0 HD2 LYS A 63 -4.422 -13.372 -14.102 1.00 54.24 H new ATOM 0 HD3 LYS A 63 -3.803 -15.011 -14.032 1.00 54.24 H new ATOM 0 HE2 LYS A 63 -5.187 -15.509 -12.068 1.00 64.43 H new ATOM 0 HE3 LYS A 63 -5.713 -13.840 -11.965 1.00 64.43 H new ATOM 0 HZ1 LYS A 63 -7.372 -15.219 -13.014 1.00 2.44 H new ATOM 0 HZ2 LYS A 63 -6.783 -14.074 -14.121 1.00 2.44 H new ATOM 0 HZ3 LYS A 63 -6.274 -15.690 -14.221 1.00 2.44 H new ATOM 1057 N GLY A 64 -1.119 -16.135 -9.173 1.00 4.22 N ATOM 1058 CA GLY A 64 -0.291 -17.186 -8.557 1.00 60.41 C ATOM 1059 C GLY A 64 -0.505 -17.300 -7.047 1.00 11.23 C ATOM 1060 O GLY A 64 0.464 -17.260 -6.279 1.00 13.31 O ATOM 0 H GLY A 64 -0.659 -15.227 -9.233 1.00 4.22 H new ATOM 0 HA2 GLY A 64 -0.520 -18.143 -9.025 1.00 60.41 H new ATOM 0 HA3 GLY A 64 0.760 -16.977 -8.756 1.00 60.41 H new ATOM 1064 N LEU A 65 -1.792 -17.430 -6.643 1.00 51.21 N ATOM 1065 CA LEU A 65 -2.229 -17.525 -5.233 1.00 11.32 C ATOM 1066 C LEU A 65 -3.732 -17.854 -5.174 1.00 54.23 C ATOM 1067 O LEU A 65 -4.361 -18.096 -6.215 1.00 74.34 O ATOM 1068 CB LEU A 65 -1.875 -16.202 -4.468 1.00 75.23 C ATOM 1069 CG LEU A 65 -2.299 -14.835 -5.154 1.00 65.42 C ATOM 1070 CD1 LEU A 65 -3.756 -14.407 -4.822 1.00 62.04 C ATOM 1071 CD2 LEU A 65 -1.293 -13.715 -4.814 1.00 0.03 C ATOM 0 H LEU A 65 -2.569 -17.472 -7.303 1.00 51.21 H new ATOM 0 HA LEU A 65 -1.698 -18.335 -4.734 1.00 11.32 H new ATOM 0 HB2 LEU A 65 -2.341 -16.245 -3.484 1.00 75.23 H new ATOM 0 HB3 LEU A 65 -0.797 -16.181 -4.310 1.00 75.23 H new ATOM 0 HG LEU A 65 -2.276 -15.009 -6.230 1.00 65.42 H new ATOM 0 HD11 LEU A 65 -3.981 -13.465 -5.322 1.00 62.04 H new ATOM 0 HD12 LEU A 65 -4.448 -15.175 -5.166 1.00 62.04 H new ATOM 0 HD13 LEU A 65 -3.861 -14.280 -3.745 1.00 62.04 H new ATOM 0 HD21 LEU A 65 -1.604 -12.788 -5.295 1.00 0.03 H new ATOM 0 HD22 LEU A 65 -1.261 -13.570 -3.734 1.00 0.03 H new ATOM 0 HD23 LEU A 65 -0.302 -13.995 -5.172 1.00 0.03 H new ATOM 1083 N ASP A 66 -4.297 -17.849 -3.952 1.00 71.00 N ATOM 1084 CA ASP A 66 -5.713 -18.205 -3.690 1.00 13.35 C ATOM 1085 C ASP A 66 -6.516 -16.945 -3.273 1.00 41.30 C ATOM 1086 O ASP A 66 -5.925 -15.934 -2.878 1.00 74.33 O ATOM 1087 CB ASP A 66 -5.762 -19.299 -2.583 1.00 35.44 C ATOM 1088 CG ASP A 66 -7.169 -19.875 -2.333 1.00 74.34 C ATOM 1089 OD1 ASP A 66 -7.656 -20.667 -3.169 1.00 33.35 O ATOM 1090 OD2 ASP A 66 -7.812 -19.523 -1.322 1.00 64.25 O ATOM 0 H ASP A 66 -3.783 -17.596 -3.108 1.00 71.00 H new ATOM 0 HA ASP A 66 -6.171 -18.600 -4.597 1.00 13.35 H new ATOM 0 HB2 ASP A 66 -5.092 -20.112 -2.861 1.00 35.44 H new ATOM 0 HB3 ASP A 66 -5.383 -18.877 -1.652 1.00 35.44 H new ATOM 1095 N ASP A 67 -7.860 -17.035 -3.365 1.00 72.31 N ATOM 1096 CA ASP A 67 -8.815 -15.957 -2.984 1.00 21.20 C ATOM 1097 C ASP A 67 -8.673 -15.539 -1.495 1.00 52.03 C ATOM 1098 O ASP A 67 -8.991 -14.404 -1.118 1.00 62.23 O ATOM 1099 CB ASP A 67 -10.267 -16.429 -3.282 1.00 45.25 C ATOM 1100 CG ASP A 67 -11.346 -15.377 -2.952 1.00 12.01 C ATOM 1101 OD1 ASP A 67 -11.626 -14.518 -3.799 1.00 14.23 O ATOM 1102 OD2 ASP A 67 -11.932 -15.417 -1.856 1.00 54.50 O ATOM 0 H ASP A 67 -8.327 -17.873 -3.712 1.00 72.31 H new ATOM 0 HA ASP A 67 -8.581 -15.075 -3.579 1.00 21.20 H new ATOM 0 HB2 ASP A 67 -10.343 -16.695 -4.336 1.00 45.25 H new ATOM 0 HB3 ASP A 67 -10.469 -17.334 -2.710 1.00 45.25 H new ATOM 1107 N ASP A 68 -8.193 -16.473 -0.664 1.00 1.51 N ATOM 1108 CA ASP A 68 -7.884 -16.225 0.756 1.00 14.21 C ATOM 1109 C ASP A 68 -6.717 -15.217 0.882 1.00 10.24 C ATOM 1110 O ASP A 68 -6.776 -14.276 1.682 1.00 13.55 O ATOM 1111 CB ASP A 68 -7.548 -17.568 1.453 1.00 33.33 C ATOM 1112 CG ASP A 68 -7.119 -17.406 2.917 1.00 44.22 C ATOM 1113 OD1 ASP A 68 -7.999 -17.207 3.780 1.00 4.44 O ATOM 1114 OD2 ASP A 68 -5.904 -17.469 3.216 1.00 51.35 O ATOM 0 H ASP A 68 -8.005 -17.432 -0.958 1.00 1.51 H new ATOM 0 HA ASP A 68 -8.752 -15.788 1.249 1.00 14.21 H new ATOM 0 HB2 ASP A 68 -8.420 -18.220 1.408 1.00 33.33 H new ATOM 0 HB3 ASP A 68 -6.750 -18.065 0.901 1.00 33.33 H new ATOM 1119 N ALA A 69 -5.676 -15.425 0.047 1.00 31.11 N ATOM 1120 CA ALA A 69 -4.501 -14.530 -0.045 1.00 62.23 C ATOM 1121 C ALA A 69 -4.888 -13.156 -0.618 1.00 13.53 C ATOM 1122 O ALA A 69 -4.302 -12.142 -0.246 1.00 32.40 O ATOM 1123 CB ALA A 69 -3.395 -15.181 -0.891 1.00 35.33 C ATOM 0 H ALA A 69 -5.627 -16.223 -0.586 1.00 31.11 H new ATOM 0 HA ALA A 69 -4.119 -14.372 0.964 1.00 62.23 H new ATOM 0 HB1 ALA A 69 -2.538 -14.510 -0.949 1.00 35.33 H new ATOM 0 HB2 ALA A 69 -3.090 -16.120 -0.430 1.00 35.33 H new ATOM 0 HB3 ALA A 69 -3.772 -15.375 -1.895 1.00 35.33 H new ATOM 1129 N ARG A 70 -5.887 -13.155 -1.525 1.00 72.20 N ATOM 1130 CA ARG A 70 -6.483 -11.933 -2.108 1.00 41.15 C ATOM 1131 C ARG A 70 -7.079 -11.029 -1.009 1.00 50.32 C ATOM 1132 O ARG A 70 -6.807 -9.831 -0.981 1.00 55.42 O ATOM 1133 CB ARG A 70 -7.587 -12.350 -3.123 1.00 51.41 C ATOM 1134 CG ARG A 70 -8.537 -11.225 -3.623 1.00 55.41 C ATOM 1135 CD ARG A 70 -9.773 -11.796 -4.359 1.00 33.32 C ATOM 1136 NE ARG A 70 -10.701 -10.752 -4.829 1.00 14.32 N ATOM 1137 CZ ARG A 70 -11.958 -10.964 -5.277 1.00 25.21 C ATOM 1138 NH1 ARG A 70 -12.484 -12.183 -5.326 1.00 74.30 N ATOM 1139 NH2 ARG A 70 -12.677 -9.934 -5.683 1.00 54.42 N ATOM 0 H ARG A 70 -6.309 -14.014 -1.878 1.00 72.20 H new ATOM 0 HA ARG A 70 -5.706 -11.363 -2.618 1.00 41.15 H new ATOM 0 HB2 ARG A 70 -7.101 -12.795 -3.991 1.00 51.41 H new ATOM 0 HB3 ARG A 70 -8.195 -13.129 -2.663 1.00 51.41 H new ATOM 0 HG2 ARG A 70 -8.865 -10.624 -2.775 1.00 55.41 H new ATOM 0 HG3 ARG A 70 -7.991 -10.560 -4.293 1.00 55.41 H new ATOM 0 HD2 ARG A 70 -9.439 -12.387 -5.212 1.00 33.32 H new ATOM 0 HD3 ARG A 70 -10.306 -12.473 -3.691 1.00 33.32 H new ATOM 0 HE ARG A 70 -10.366 -9.789 -4.815 1.00 14.32 H new ATOM 0 HH11 ARG A 70 -11.936 -12.987 -5.021 1.00 74.30 H new ATOM 0 HH12 ARG A 70 -13.436 -12.314 -5.669 1.00 74.30 H new ATOM 0 HH21 ARG A 70 -12.282 -8.994 -5.656 1.00 54.42 H new ATOM 0 HH22 ARG A 70 -13.627 -10.078 -6.024 1.00 54.42 H new ATOM 1153 N LYS A 71 -7.887 -11.633 -0.106 1.00 74.13 N ATOM 1154 CA LYS A 71 -8.608 -10.898 0.958 1.00 22.51 C ATOM 1155 C LYS A 71 -7.653 -10.406 2.064 1.00 21.21 C ATOM 1156 O LYS A 71 -7.813 -9.291 2.579 1.00 63.53 O ATOM 1157 CB LYS A 71 -9.731 -11.777 1.575 1.00 52.32 C ATOM 1158 CG LYS A 71 -10.574 -11.057 2.661 1.00 13.23 C ATOM 1159 CD LYS A 71 -11.682 -11.944 3.278 1.00 63.12 C ATOM 1160 CE LYS A 71 -12.444 -11.228 4.409 1.00 65.01 C ATOM 1161 NZ LYS A 71 -13.457 -12.106 5.054 1.00 43.11 N ATOM 0 H LYS A 71 -8.056 -12.639 -0.095 1.00 74.13 H new ATOM 0 HA LYS A 71 -9.060 -10.023 0.492 1.00 22.51 H new ATOM 0 HB2 LYS A 71 -10.395 -12.112 0.778 1.00 52.32 H new ATOM 0 HB3 LYS A 71 -9.281 -12.669 2.011 1.00 52.32 H new ATOM 0 HG2 LYS A 71 -9.911 -10.714 3.455 1.00 13.23 H new ATOM 0 HG3 LYS A 71 -11.032 -10.170 2.224 1.00 13.23 H new ATOM 0 HD2 LYS A 71 -12.385 -12.237 2.499 1.00 63.12 H new ATOM 0 HD3 LYS A 71 -11.237 -12.860 3.666 1.00 63.12 H new ATOM 0 HE2 LYS A 71 -11.734 -10.884 5.161 1.00 65.01 H new ATOM 0 HE3 LYS A 71 -12.937 -10.343 4.008 1.00 65.01 H new ATOM 0 HZ1 LYS A 71 -13.943 -11.580 5.808 1.00 43.11 H new ATOM 0 HZ2 LYS A 71 -14.152 -12.414 4.344 1.00 43.11 H new ATOM 0 HZ3 LYS A 71 -12.986 -12.939 5.462 1.00 43.11 H new ATOM 1175 N LYS A 72 -6.665 -11.246 2.420 1.00 21.24 N ATOM 1176 CA LYS A 72 -5.631 -10.900 3.418 1.00 24.13 C ATOM 1177 C LYS A 72 -4.789 -9.701 2.939 1.00 13.22 C ATOM 1178 O LYS A 72 -4.523 -8.770 3.704 1.00 5.01 O ATOM 1179 CB LYS A 72 -4.724 -12.129 3.718 1.00 74.25 C ATOM 1180 CG LYS A 72 -5.393 -13.224 4.581 1.00 3.25 C ATOM 1181 CD LYS A 72 -4.455 -14.418 4.879 1.00 34.02 C ATOM 1182 CE LYS A 72 -4.980 -15.323 6.010 1.00 34.54 C ATOM 1183 NZ LYS A 72 -6.348 -15.843 5.754 1.00 33.02 N ATOM 0 H LYS A 72 -6.559 -12.181 2.027 1.00 21.24 H new ATOM 0 HA LYS A 72 -6.132 -10.613 4.343 1.00 24.13 H new ATOM 0 HB2 LYS A 72 -4.409 -12.571 2.773 1.00 74.25 H new ATOM 0 HB3 LYS A 72 -3.823 -11.784 4.225 1.00 74.25 H new ATOM 0 HG2 LYS A 72 -5.723 -12.785 5.522 1.00 3.25 H new ATOM 0 HG3 LYS A 72 -6.284 -13.588 4.069 1.00 3.25 H new ATOM 0 HD2 LYS A 72 -4.331 -15.011 3.973 1.00 34.02 H new ATOM 0 HD3 LYS A 72 -3.469 -14.041 5.150 1.00 34.02 H new ATOM 0 HE2 LYS A 72 -4.298 -16.163 6.142 1.00 34.54 H new ATOM 0 HE3 LYS A 72 -4.980 -14.763 6.945 1.00 34.54 H new ATOM 0 HZ1 LYS A 72 -7.010 -15.431 6.442 1.00 33.02 H new ATOM 0 HZ2 LYS A 72 -6.643 -15.584 4.791 1.00 33.02 H new ATOM 0 HZ3 LYS A 72 -6.349 -16.879 5.850 1.00 33.02 H new ATOM 1197 N ALA A 73 -4.416 -9.737 1.650 1.00 54.03 N ATOM 1198 CA ALA A 73 -3.639 -8.671 0.994 1.00 32.32 C ATOM 1199 C ALA A 73 -4.493 -7.427 0.735 1.00 74.55 C ATOM 1200 O ALA A 73 -3.963 -6.316 0.682 1.00 73.40 O ATOM 1201 CB ALA A 73 -3.050 -9.192 -0.308 1.00 45.33 C ATOM 0 H ALA A 73 -4.646 -10.512 1.028 1.00 54.03 H new ATOM 0 HA ALA A 73 -2.832 -8.378 1.665 1.00 32.32 H new ATOM 0 HB1 ALA A 73 -2.476 -8.401 -0.790 1.00 45.33 H new ATOM 0 HB2 ALA A 73 -2.396 -10.038 -0.098 1.00 45.33 H new ATOM 0 HB3 ALA A 73 -3.855 -9.511 -0.970 1.00 45.33 H new ATOM 1207 N LYS A 74 -5.810 -7.637 0.545 1.00 31.21 N ATOM 1208 CA LYS A 74 -6.780 -6.550 0.365 1.00 54.41 C ATOM 1209 C LYS A 74 -6.844 -5.685 1.624 1.00 23.21 C ATOM 1210 O LYS A 74 -6.671 -4.466 1.554 1.00 23.31 O ATOM 1211 CB LYS A 74 -8.195 -7.109 0.041 1.00 23.45 C ATOM 1212 CG LYS A 74 -9.310 -6.035 0.031 1.00 22.41 C ATOM 1213 CD LYS A 74 -10.711 -6.615 -0.244 1.00 74.12 C ATOM 1214 CE LYS A 74 -11.813 -5.557 -0.100 1.00 31.32 C ATOM 1215 NZ LYS A 74 -13.159 -6.119 -0.359 1.00 13.31 N ATOM 0 H LYS A 74 -6.227 -8.567 0.513 1.00 31.21 H new ATOM 0 HA LYS A 74 -6.449 -5.941 -0.476 1.00 54.41 H new ATOM 0 HB2 LYS A 74 -8.167 -7.598 -0.933 1.00 23.45 H new ATOM 0 HB3 LYS A 74 -8.449 -7.874 0.775 1.00 23.45 H new ATOM 0 HG2 LYS A 74 -9.319 -5.521 0.992 1.00 22.41 H new ATOM 0 HG3 LYS A 74 -9.078 -5.287 -0.728 1.00 22.41 H new ATOM 0 HD2 LYS A 74 -10.739 -7.032 -1.251 1.00 74.12 H new ATOM 0 HD3 LYS A 74 -10.905 -7.436 0.446 1.00 74.12 H new ATOM 0 HE2 LYS A 74 -11.783 -5.137 0.905 1.00 31.32 H new ATOM 0 HE3 LYS A 74 -11.622 -4.738 -0.794 1.00 31.32 H new ATOM 0 HZ1 LYS A 74 -13.874 -5.371 -0.251 1.00 13.31 H new ATOM 0 HZ2 LYS A 74 -13.197 -6.497 -1.327 1.00 13.31 H new ATOM 0 HZ3 LYS A 74 -13.352 -6.883 0.319 1.00 13.31 H new ATOM 1229 N LYS A 75 -7.079 -6.356 2.775 1.00 3.44 N ATOM 1230 CA LYS A 75 -7.201 -5.697 4.079 1.00 61.34 C ATOM 1231 C LYS A 75 -5.864 -5.045 4.471 1.00 10.31 C ATOM 1232 O LYS A 75 -5.852 -3.935 4.996 1.00 74.44 O ATOM 1233 CB LYS A 75 -7.684 -6.694 5.172 1.00 14.34 C ATOM 1234 CG LYS A 75 -7.922 -6.034 6.554 1.00 30.14 C ATOM 1235 CD LYS A 75 -9.017 -4.930 6.510 1.00 1.41 C ATOM 1236 CE LYS A 75 -9.019 -4.041 7.763 1.00 41.30 C ATOM 1237 NZ LYS A 75 -9.212 -4.819 9.010 1.00 73.11 N ATOM 0 H LYS A 75 -7.188 -7.369 2.817 1.00 3.44 H new ATOM 0 HA LYS A 75 -7.955 -4.914 3.999 1.00 61.34 H new ATOM 0 HB2 LYS A 75 -8.609 -7.164 4.839 1.00 14.34 H new ATOM 0 HB3 LYS A 75 -6.944 -7.487 5.280 1.00 14.34 H new ATOM 0 HG2 LYS A 75 -8.213 -6.800 7.273 1.00 30.14 H new ATOM 0 HG3 LYS A 75 -6.988 -5.600 6.911 1.00 30.14 H new ATOM 0 HD2 LYS A 75 -8.863 -4.307 5.629 1.00 1.41 H new ATOM 0 HD3 LYS A 75 -9.995 -5.399 6.402 1.00 1.41 H new ATOM 0 HE2 LYS A 75 -8.076 -3.497 7.820 1.00 41.30 H new ATOM 0 HE3 LYS A 75 -9.811 -3.298 7.676 1.00 41.30 H new ATOM 0 HZ1 LYS A 75 -9.223 -4.172 9.824 1.00 73.11 H new ATOM 0 HZ2 LYS A 75 -10.116 -5.332 8.963 1.00 73.11 H new ATOM 0 HZ3 LYS A 75 -8.433 -5.500 9.119 1.00 73.11 H new ATOM 1251 N TRP A 76 -4.754 -5.740 4.149 1.00 10.54 N ATOM 1252 CA TRP A 76 -3.381 -5.219 4.301 1.00 70.43 C ATOM 1253 C TRP A 76 -3.238 -3.869 3.562 1.00 12.12 C ATOM 1254 O TRP A 76 -2.820 -2.873 4.153 1.00 24.50 O ATOM 1255 CB TRP A 76 -2.375 -6.261 3.728 1.00 54.22 C ATOM 1256 CG TRP A 76 -0.906 -5.912 3.884 1.00 43.32 C ATOM 1257 CD1 TRP A 76 -0.078 -6.287 4.903 1.00 63.54 C ATOM 1258 CD2 TRP A 76 -0.091 -5.127 2.985 1.00 41.04 C ATOM 1259 NE1 TRP A 76 1.184 -5.798 4.691 1.00 65.41 N ATOM 1260 CE2 TRP A 76 1.199 -5.078 3.533 1.00 21.54 C ATOM 1261 CE3 TRP A 76 -0.328 -4.462 1.773 1.00 12.50 C ATOM 1262 CZ2 TRP A 76 2.245 -4.401 2.922 1.00 1.41 C ATOM 1263 CZ3 TRP A 76 0.714 -3.782 1.167 1.00 44.02 C ATOM 1264 CH2 TRP A 76 1.989 -3.757 1.745 1.00 1.30 C ATOM 0 H TRP A 76 -4.786 -6.687 3.773 1.00 10.54 H new ATOM 0 HA TRP A 76 -3.168 -5.054 5.357 1.00 70.43 H new ATOM 0 HB2 TRP A 76 -2.556 -7.219 4.215 1.00 54.22 H new ATOM 0 HB3 TRP A 76 -2.586 -6.398 2.667 1.00 54.22 H new ATOM 0 HD1 TRP A 76 -0.375 -6.883 5.753 1.00 63.54 H new ATOM 0 HE1 TRP A 76 1.986 -5.949 5.303 1.00 65.41 H new ATOM 0 HE3 TRP A 76 -1.308 -4.480 1.320 1.00 12.50 H new ATOM 0 HZ2 TRP A 76 3.231 -4.384 3.363 1.00 1.41 H new ATOM 0 HZ3 TRP A 76 0.541 -3.264 0.235 1.00 44.02 H new ATOM 0 HH2 TRP A 76 2.785 -3.219 1.251 1.00 1.30 H new ATOM 1275 N ALA A 77 -3.639 -3.869 2.270 1.00 61.45 N ATOM 1276 CA ALA A 77 -3.528 -2.706 1.365 1.00 53.41 C ATOM 1277 C ALA A 77 -4.387 -1.522 1.833 1.00 73.34 C ATOM 1278 O ALA A 77 -4.000 -0.359 1.658 1.00 45.11 O ATOM 1279 CB ALA A 77 -3.927 -3.121 -0.057 1.00 41.22 C ATOM 0 H ALA A 77 -4.053 -4.687 1.823 1.00 61.45 H new ATOM 0 HA ALA A 77 -2.490 -2.373 1.376 1.00 53.41 H new ATOM 0 HB1 ALA A 77 -3.845 -2.262 -0.723 1.00 41.22 H new ATOM 0 HB2 ALA A 77 -3.265 -3.914 -0.404 1.00 41.22 H new ATOM 0 HB3 ALA A 77 -4.956 -3.482 -0.056 1.00 41.22 H new ATOM 1285 N LEU A 78 -5.554 -1.848 2.423 1.00 53.12 N ATOM 1286 CA LEU A 78 -6.473 -0.860 3.017 1.00 45.25 C ATOM 1287 C LEU A 78 -5.790 -0.152 4.189 1.00 52.25 C ATOM 1288 O LEU A 78 -5.720 1.075 4.233 1.00 64.32 O ATOM 1289 CB LEU A 78 -7.776 -1.566 3.506 1.00 1.01 C ATOM 1290 CG LEU A 78 -8.714 -2.112 2.385 1.00 52.22 C ATOM 1291 CD1 LEU A 78 -9.831 -3.014 2.960 1.00 44.03 C ATOM 1292 CD2 LEU A 78 -9.300 -0.948 1.565 1.00 70.45 C ATOM 0 H LEU A 78 -5.886 -2.809 2.501 1.00 53.12 H new ATOM 0 HA LEU A 78 -6.736 -0.121 2.260 1.00 45.25 H new ATOM 0 HB2 LEU A 78 -7.496 -2.396 4.155 1.00 1.01 H new ATOM 0 HB3 LEU A 78 -8.342 -0.861 4.116 1.00 1.01 H new ATOM 0 HG LEU A 78 -8.116 -2.735 1.720 1.00 52.22 H new ATOM 0 HD11 LEU A 78 -10.462 -3.374 2.148 1.00 44.03 H new ATOM 0 HD12 LEU A 78 -9.383 -3.864 3.475 1.00 44.03 H new ATOM 0 HD13 LEU A 78 -10.436 -2.441 3.663 1.00 44.03 H new ATOM 0 HD21 LEU A 78 -9.952 -1.344 0.787 1.00 70.45 H new ATOM 0 HD22 LEU A 78 -9.874 -0.293 2.221 1.00 70.45 H new ATOM 0 HD23 LEU A 78 -8.489 -0.382 1.106 1.00 70.45 H new ATOM 1304 N GLU A 79 -5.223 -0.969 5.092 1.00 75.14 N ATOM 1305 CA GLU A 79 -4.598 -0.494 6.328 1.00 5.30 C ATOM 1306 C GLU A 79 -3.345 0.353 6.036 1.00 14.32 C ATOM 1307 O GLU A 79 -3.134 1.354 6.704 1.00 40.43 O ATOM 1308 CB GLU A 79 -4.259 -1.683 7.245 1.00 71.10 C ATOM 1309 CG GLU A 79 -5.468 -2.516 7.716 1.00 13.33 C ATOM 1310 CD GLU A 79 -5.065 -3.739 8.553 1.00 53.01 C ATOM 1311 OE1 GLU A 79 -4.313 -4.593 8.040 1.00 14.32 O ATOM 1312 OE2 GLU A 79 -5.454 -3.831 9.740 1.00 23.22 O ATOM 0 H GLU A 79 -5.187 -1.982 4.980 1.00 75.14 H new ATOM 0 HA GLU A 79 -5.312 0.149 6.843 1.00 5.30 H new ATOM 0 HB2 GLU A 79 -3.568 -2.341 6.719 1.00 71.10 H new ATOM 0 HB3 GLU A 79 -3.734 -1.306 8.123 1.00 71.10 H new ATOM 0 HG2 GLU A 79 -6.131 -1.882 8.305 1.00 13.33 H new ATOM 0 HG3 GLU A 79 -6.034 -2.849 6.846 1.00 13.33 H new ATOM 1319 N VAL A 80 -2.549 -0.047 5.017 1.00 2.30 N ATOM 1320 CA VAL A 80 -1.363 0.717 4.565 1.00 2.34 C ATOM 1321 C VAL A 80 -1.783 2.109 4.050 1.00 63.51 C ATOM 1322 O VAL A 80 -1.242 3.125 4.490 1.00 61.14 O ATOM 1323 CB VAL A 80 -0.574 -0.061 3.438 1.00 22.55 C ATOM 1324 CG1 VAL A 80 0.556 0.798 2.823 1.00 14.14 C ATOM 1325 CG2 VAL A 80 -0.003 -1.389 3.976 1.00 4.14 C ATOM 0 H VAL A 80 -2.710 -0.904 4.488 1.00 2.30 H new ATOM 0 HA VAL A 80 -0.700 0.839 5.422 1.00 2.34 H new ATOM 0 HB VAL A 80 -1.290 -0.283 2.647 1.00 22.55 H new ATOM 0 HG11 VAL A 80 1.072 0.224 2.053 1.00 14.14 H new ATOM 0 HG12 VAL A 80 0.129 1.698 2.380 1.00 14.14 H new ATOM 0 HG13 VAL A 80 1.265 1.079 3.602 1.00 14.14 H new ATOM 0 HG21 VAL A 80 0.535 -1.903 3.179 1.00 4.14 H new ATOM 0 HG22 VAL A 80 0.679 -1.184 4.801 1.00 4.14 H new ATOM 0 HG23 VAL A 80 -0.819 -2.020 4.329 1.00 4.14 H new ATOM 1335 N ALA A 81 -2.788 2.121 3.154 1.00 14.42 N ATOM 1336 CA ALA A 81 -3.316 3.348 2.525 1.00 3.40 C ATOM 1337 C ALA A 81 -3.822 4.363 3.576 1.00 64.34 C ATOM 1338 O ALA A 81 -3.515 5.562 3.502 1.00 60.40 O ATOM 1339 CB ALA A 81 -4.437 2.976 1.545 1.00 31.15 C ATOM 0 H ALA A 81 -3.261 1.272 2.843 1.00 14.42 H new ATOM 0 HA ALA A 81 -2.504 3.832 1.983 1.00 3.40 H new ATOM 0 HB1 ALA A 81 -4.828 3.881 1.079 1.00 31.15 H new ATOM 0 HB2 ALA A 81 -4.042 2.313 0.775 1.00 31.15 H new ATOM 0 HB3 ALA A 81 -5.238 2.470 2.084 1.00 31.15 H new ATOM 1345 N ASN A 82 -4.565 3.844 4.572 1.00 62.24 N ATOM 1346 CA ASN A 82 -5.116 4.650 5.681 1.00 14.52 C ATOM 1347 C ASN A 82 -4.021 5.018 6.709 1.00 3.01 C ATOM 1348 O ASN A 82 -4.137 6.038 7.399 1.00 71.15 O ATOM 1349 CB ASN A 82 -6.290 3.916 6.396 1.00 3.21 C ATOM 1350 CG ASN A 82 -7.578 3.839 5.553 1.00 53.00 C ATOM 1351 OD1 ASN A 82 -8.353 4.792 5.494 1.00 50.34 O ATOM 1352 ND2 ASN A 82 -7.858 2.696 4.957 1.00 33.42 N ATOM 0 H ASN A 82 -4.801 2.853 4.631 1.00 62.24 H new ATOM 0 HA ASN A 82 -5.503 5.569 5.241 1.00 14.52 H new ATOM 0 HB2 ASN A 82 -5.973 2.905 6.652 1.00 3.21 H new ATOM 0 HB3 ASN A 82 -6.510 4.428 7.333 1.00 3.21 H new ATOM 0 HD21 ASN A 82 -8.729 2.592 4.437 1.00 33.42 H new ATOM 0 HD22 ASN A 82 -7.203 1.916 5.016 1.00 33.42 H new ATOM 1359 N LYS A 83 -2.972 4.175 6.824 1.00 44.03 N ATOM 1360 CA LYS A 83 -1.879 4.388 7.805 1.00 40.25 C ATOM 1361 C LYS A 83 -0.987 5.567 7.379 1.00 51.33 C ATOM 1362 O LYS A 83 -0.567 6.367 8.217 1.00 41.40 O ATOM 1363 CB LYS A 83 -1.023 3.104 7.992 1.00 2.34 C ATOM 1364 CG LYS A 83 -0.005 3.174 9.149 1.00 35.13 C ATOM 1365 CD LYS A 83 -0.672 3.462 10.513 1.00 64.42 C ATOM 1366 CE LYS A 83 0.343 3.545 11.662 1.00 0.34 C ATOM 1367 NZ LYS A 83 1.357 4.609 11.447 1.00 51.42 N ATOM 0 H LYS A 83 -2.857 3.339 6.250 1.00 44.03 H new ATOM 0 HA LYS A 83 -2.341 4.626 8.763 1.00 40.25 H new ATOM 0 HB2 LYS A 83 -1.691 2.260 8.164 1.00 2.34 H new ATOM 0 HB3 LYS A 83 -0.486 2.903 7.065 1.00 2.34 H new ATOM 0 HG2 LYS A 83 0.539 2.231 9.207 1.00 35.13 H new ATOM 0 HG3 LYS A 83 0.728 3.952 8.936 1.00 35.13 H new ATOM 0 HD2 LYS A 83 -1.224 4.400 10.452 1.00 64.42 H new ATOM 0 HD3 LYS A 83 -1.398 2.679 10.731 1.00 64.42 H new ATOM 0 HE2 LYS A 83 -0.185 3.734 12.597 1.00 0.34 H new ATOM 0 HE3 LYS A 83 0.846 2.584 11.769 1.00 0.34 H new ATOM 0 HZ1 LYS A 83 1.934 4.717 12.305 1.00 51.42 H new ATOM 0 HZ2 LYS A 83 1.970 4.348 10.648 1.00 51.42 H new ATOM 0 HZ3 LYS A 83 0.878 5.508 11.237 1.00 51.42 H new ATOM 1381 N ILE A 84 -0.723 5.655 6.061 1.00 73.12 N ATOM 1382 CA ILE A 84 -0.003 6.785 5.446 1.00 13.22 C ATOM 1383 C ILE A 84 -0.815 8.084 5.653 1.00 61.33 C ATOM 1384 O ILE A 84 -0.261 9.132 6.001 1.00 4.23 O ATOM 1385 CB ILE A 84 0.245 6.540 3.906 1.00 15.13 C ATOM 1386 CG1 ILE A 84 1.054 5.222 3.662 1.00 23.34 C ATOM 1387 CG2 ILE A 84 0.967 7.746 3.267 1.00 62.22 C ATOM 1388 CD1 ILE A 84 1.218 4.829 2.199 1.00 31.25 C ATOM 0 H ILE A 84 -1.005 4.940 5.390 1.00 73.12 H new ATOM 0 HA ILE A 84 0.970 6.877 5.928 1.00 13.22 H new ATOM 0 HB ILE A 84 -0.729 6.429 3.429 1.00 15.13 H new ATOM 0 HG12 ILE A 84 2.043 5.333 4.106 1.00 23.34 H new ATOM 0 HG13 ILE A 84 0.558 4.406 4.188 1.00 23.34 H new ATOM 0 HG21 ILE A 84 1.127 7.554 2.206 1.00 62.22 H new ATOM 0 HG22 ILE A 84 0.356 8.641 3.386 1.00 62.22 H new ATOM 0 HG23 ILE A 84 1.929 7.896 3.758 1.00 62.22 H new ATOM 0 HD11 ILE A 84 1.791 3.904 2.133 1.00 31.25 H new ATOM 0 HD12 ILE A 84 0.236 4.680 1.750 1.00 31.25 H new ATOM 0 HD13 ILE A 84 1.744 5.621 1.666 1.00 31.25 H new ATOM 1400 N ALA A 85 -2.151 7.964 5.486 1.00 52.23 N ATOM 1401 CA ALA A 85 -3.105 9.065 5.703 1.00 62.15 C ATOM 1402 C ALA A 85 -3.072 9.581 7.159 1.00 60.00 C ATOM 1403 O ALA A 85 -3.334 10.755 7.409 1.00 35.12 O ATOM 1404 CB ALA A 85 -4.522 8.624 5.306 1.00 71.32 C ATOM 0 H ALA A 85 -2.596 7.094 5.195 1.00 52.23 H new ATOM 0 HA ALA A 85 -2.804 9.897 5.066 1.00 62.15 H new ATOM 0 HB1 ALA A 85 -5.218 9.446 5.471 1.00 71.32 H new ATOM 0 HB2 ALA A 85 -4.534 8.344 4.253 1.00 71.32 H new ATOM 0 HB3 ALA A 85 -4.820 7.769 5.912 1.00 71.32 H new ATOM 1410 N ASN A 86 -2.749 8.684 8.108 1.00 61.41 N ATOM 1411 CA ASN A 86 -2.632 9.032 9.544 1.00 25.21 C ATOM 1412 C ASN A 86 -1.399 9.923 9.787 1.00 55.24 C ATOM 1413 O ASN A 86 -1.427 10.816 10.635 1.00 33.34 O ATOM 1414 CB ASN A 86 -2.545 7.737 10.403 1.00 0.54 C ATOM 1415 CG ASN A 86 -2.594 7.995 11.918 1.00 34.41 C ATOM 1416 OD1 ASN A 86 -3.668 8.012 12.526 1.00 24.14 O ATOM 1417 ND2 ASN A 86 -1.441 8.197 12.536 1.00 55.20 N ATOM 0 H ASN A 86 -2.562 7.702 7.907 1.00 61.41 H new ATOM 0 HA ASN A 86 -3.520 9.590 9.840 1.00 25.21 H new ATOM 0 HB2 ASN A 86 -3.366 7.075 10.130 1.00 0.54 H new ATOM 0 HB3 ASN A 86 -1.620 7.214 10.162 1.00 0.54 H new ATOM 0 HD21 ASN A 86 -1.425 8.372 13.541 1.00 55.20 H new ATOM 0 HD22 ASN A 86 -0.569 8.177 12.008 1.00 55.20 H new ATOM 1424 N GLU A 87 -0.330 9.674 9.014 1.00 72.41 N ATOM 1425 CA GLU A 87 0.975 10.337 9.199 1.00 43.24 C ATOM 1426 C GLU A 87 0.970 11.787 8.671 1.00 63.41 C ATOM 1427 O GLU A 87 1.489 12.694 9.330 1.00 61.21 O ATOM 1428 CB GLU A 87 2.103 9.527 8.486 1.00 23.53 C ATOM 1429 CG GLU A 87 2.138 8.015 8.809 1.00 32.50 C ATOM 1430 CD GLU A 87 2.168 7.698 10.316 1.00 64.13 C ATOM 1431 OE1 GLU A 87 3.262 7.754 10.926 1.00 31.01 O ATOM 1432 OE2 GLU A 87 1.101 7.388 10.899 1.00 44.41 O ATOM 0 H GLU A 87 -0.344 9.007 8.242 1.00 72.41 H new ATOM 0 HA GLU A 87 1.167 10.370 10.272 1.00 43.24 H new ATOM 0 HB2 GLU A 87 1.989 9.649 7.409 1.00 23.53 H new ATOM 0 HB3 GLU A 87 3.065 9.962 8.756 1.00 23.53 H new ATOM 0 HG2 GLU A 87 1.264 7.539 8.365 1.00 32.50 H new ATOM 0 HG3 GLU A 87 3.016 7.573 8.337 1.00 32.50 H new ATOM 1439 N LEU A 88 0.368 11.997 7.484 1.00 75.54 N ATOM 1440 CA LEU A 88 0.497 13.266 6.722 1.00 72.43 C ATOM 1441 C LEU A 88 -0.868 13.804 6.245 1.00 42.23 C ATOM 1442 O LEU A 88 -0.929 14.636 5.327 1.00 65.24 O ATOM 1443 CB LEU A 88 1.519 13.032 5.553 1.00 32.55 C ATOM 1444 CG LEU A 88 1.399 11.671 4.771 1.00 20.11 C ATOM 1445 CD1 LEU A 88 0.324 11.702 3.673 1.00 22.23 C ATOM 1446 CD2 LEU A 88 2.758 11.244 4.202 1.00 32.15 C ATOM 0 H LEU A 88 -0.219 11.300 7.024 1.00 75.54 H new ATOM 0 HA LEU A 88 0.882 14.052 7.372 1.00 72.43 H new ATOM 0 HB2 LEU A 88 1.409 13.847 4.837 1.00 32.55 H new ATOM 0 HB3 LEU A 88 2.527 13.101 5.963 1.00 32.55 H new ATOM 0 HG LEU A 88 1.075 10.924 5.496 1.00 20.11 H new ATOM 0 HD11 LEU A 88 0.290 10.736 3.170 1.00 22.23 H new ATOM 0 HD12 LEU A 88 -0.647 11.913 4.121 1.00 22.23 H new ATOM 0 HD13 LEU A 88 0.566 12.479 2.948 1.00 22.23 H new ATOM 0 HD21 LEU A 88 2.648 10.301 3.666 1.00 32.15 H new ATOM 0 HD22 LEU A 88 3.123 12.010 3.517 1.00 32.15 H new ATOM 0 HD23 LEU A 88 3.470 11.117 5.017 1.00 32.15 H new ATOM 1458 N GLY A 89 -1.954 13.358 6.908 1.00 12.32 N ATOM 1459 CA GLY A 89 -3.309 13.860 6.637 1.00 52.43 C ATOM 1460 C GLY A 89 -3.935 13.228 5.399 1.00 34.14 C ATOM 1461 O GLY A 89 -4.882 12.429 5.514 1.00 65.04 O ATOM 0 H GLY A 89 -1.914 12.647 7.638 1.00 12.32 H new ATOM 0 HA2 GLY A 89 -3.944 13.663 7.501 1.00 52.43 H new ATOM 0 HA3 GLY A 89 -3.272 14.942 6.508 1.00 52.43 H new ATOM 1465 N ALA A 90 -3.412 13.624 4.212 1.00 62.55 N ATOM 1466 CA ALA A 90 -3.689 12.964 2.915 1.00 62.24 C ATOM 1467 C ALA A 90 -5.190 13.018 2.521 1.00 34.32 C ATOM 1468 O ALA A 90 -5.875 13.991 2.848 1.00 72.20 O ATOM 1469 CB ALA A 90 -3.152 11.534 2.989 1.00 35.25 C ATOM 0 H ALA A 90 -2.779 14.420 4.129 1.00 62.55 H new ATOM 0 HA ALA A 90 -3.179 13.505 2.118 1.00 62.24 H new ATOM 0 HB1 ALA A 90 -3.343 11.024 2.045 1.00 35.25 H new ATOM 0 HB2 ALA A 90 -2.079 11.558 3.178 1.00 35.25 H new ATOM 0 HB3 ALA A 90 -3.651 10.999 3.797 1.00 35.25 H new ATOM 1475 N LYS A 91 -5.680 11.980 1.781 1.00 72.22 N ATOM 1476 CA LYS A 91 -7.110 11.807 1.461 1.00 4.43 C ATOM 1477 C LYS A 91 -7.515 10.321 1.650 1.00 13.30 C ATOM 1478 O LYS A 91 -7.757 9.905 2.791 1.00 44.33 O ATOM 1479 CB LYS A 91 -7.434 12.337 0.036 1.00 54.50 C ATOM 1480 CG LYS A 91 -8.920 12.229 -0.369 1.00 24.30 C ATOM 1481 CD LYS A 91 -9.171 12.627 -1.837 1.00 41.41 C ATOM 1482 CE LYS A 91 -10.655 12.513 -2.229 1.00 34.10 C ATOM 1483 NZ LYS A 91 -10.903 12.940 -3.628 1.00 23.42 N ATOM 0 H LYS A 91 -5.086 11.246 1.395 1.00 72.22 H new ATOM 0 HA LYS A 91 -7.707 12.403 2.151 1.00 4.43 H new ATOM 0 HB2 LYS A 91 -7.129 13.382 -0.027 1.00 54.50 H new ATOM 0 HB3 LYS A 91 -6.833 11.786 -0.687 1.00 54.50 H new ATOM 0 HG2 LYS A 91 -9.261 11.206 -0.212 1.00 24.30 H new ATOM 0 HG3 LYS A 91 -9.517 12.868 0.283 1.00 24.30 H new ATOM 0 HD2 LYS A 91 -8.833 13.651 -1.996 1.00 41.41 H new ATOM 0 HD3 LYS A 91 -8.575 11.990 -2.491 1.00 41.41 H new ATOM 0 HE2 LYS A 91 -10.983 11.481 -2.103 1.00 34.10 H new ATOM 0 HE3 LYS A 91 -11.255 13.123 -1.554 1.00 34.10 H new ATOM 0 HZ1 LYS A 91 -11.807 13.452 -3.680 1.00 23.42 H new ATOM 0 HZ2 LYS A 91 -10.133 13.564 -3.942 1.00 23.42 H new ATOM 0 HZ3 LYS A 91 -10.944 12.103 -4.244 1.00 23.42 H new ATOM 1497 N GLN A 92 -7.520 9.500 0.567 1.00 63.34 N ATOM 1498 CA GLN A 92 -8.128 8.144 0.607 1.00 21.13 C ATOM 1499 C GLN A 92 -7.684 7.315 -0.634 1.00 54.44 C ATOM 1500 O GLN A 92 -6.751 7.713 -1.330 1.00 34.41 O ATOM 1501 CB GLN A 92 -9.697 8.279 0.722 1.00 71.13 C ATOM 1502 CG GLN A 92 -10.426 7.065 1.344 1.00 22.25 C ATOM 1503 CD GLN A 92 -9.867 6.684 2.715 1.00 63.51 C ATOM 1504 OE1 GLN A 92 -10.323 7.177 3.751 1.00 30.42 O ATOM 1505 NE2 GLN A 92 -8.859 5.821 2.734 1.00 5.54 N ATOM 0 H GLN A 92 -7.115 9.750 -0.335 1.00 63.34 H new ATOM 0 HA GLN A 92 -7.778 7.600 1.485 1.00 21.13 H new ATOM 0 HB2 GLN A 92 -9.925 9.162 1.318 1.00 71.13 H new ATOM 0 HB3 GLN A 92 -10.103 8.453 -0.274 1.00 71.13 H new ATOM 0 HG2 GLN A 92 -11.488 7.293 1.439 1.00 22.25 H new ATOM 0 HG3 GLN A 92 -10.342 6.211 0.671 1.00 22.25 H new ATOM 0 HE21 GLN A 92 -8.505 5.431 1.860 1.00 5.54 H new ATOM 0 HE22 GLN A 92 -8.439 5.547 3.622 1.00 5.54 H new ATOM 1514 N SER A 93 -8.341 6.158 -0.897 1.00 15.00 N ATOM 1515 CA SER A 93 -7.933 5.210 -1.953 1.00 74.44 C ATOM 1516 C SER A 93 -9.149 4.614 -2.686 1.00 45.23 C ATOM 1517 O SER A 93 -10.162 4.293 -2.051 1.00 50.35 O ATOM 1518 CB SER A 93 -7.113 4.068 -1.303 1.00 1.24 C ATOM 1519 OG SER A 93 -7.823 3.456 -0.227 1.00 51.42 O ATOM 0 H SER A 93 -9.168 5.860 -0.380 1.00 15.00 H new ATOM 0 HA SER A 93 -7.334 5.748 -2.688 1.00 74.44 H new ATOM 0 HB2 SER A 93 -6.875 3.317 -2.056 1.00 1.24 H new ATOM 0 HB3 SER A 93 -6.166 4.463 -0.936 1.00 1.24 H new ATOM 0 HG SER A 93 -7.278 2.739 0.159 1.00 51.42 H new ATOM 1525 N THR A 94 -9.022 4.438 -4.016 1.00 65.32 N ATOM 1526 CA THR A 94 -10.007 3.718 -4.837 1.00 21.13 C ATOM 1527 C THR A 94 -9.549 2.245 -4.951 1.00 10.21 C ATOM 1528 O THR A 94 -8.440 1.948 -5.415 1.00 15.14 O ATOM 1529 CB THR A 94 -10.187 4.388 -6.256 1.00 75.43 C ATOM 1530 OG1 THR A 94 -11.240 3.754 -6.987 1.00 63.22 O ATOM 1531 CG2 THR A 94 -8.914 4.385 -7.126 1.00 34.51 C ATOM 0 H THR A 94 -8.229 4.794 -4.550 1.00 65.32 H new ATOM 0 HA THR A 94 -10.987 3.762 -4.361 1.00 21.13 H new ATOM 0 HB THR A 94 -10.430 5.429 -6.044 1.00 75.43 H new ATOM 0 HG1 THR A 94 -11.336 4.185 -7.862 1.00 63.22 H new ATOM 0 HG21 THR A 94 -9.126 4.863 -8.082 1.00 34.51 H new ATOM 0 HG22 THR A 94 -8.122 4.932 -6.614 1.00 34.51 H new ATOM 0 HG23 THR A 94 -8.593 3.358 -7.298 1.00 34.51 H new ATOM 1539 N THR A 95 -10.385 1.330 -4.442 1.00 4.13 N ATOM 1540 CA THR A 95 -10.063 -0.097 -4.359 1.00 72.14 C ATOM 1541 C THR A 95 -10.857 -0.877 -5.414 1.00 23.31 C ATOM 1542 O THR A 95 -12.079 -1.004 -5.318 1.00 50.31 O ATOM 1543 CB THR A 95 -10.366 -0.627 -2.916 1.00 41.42 C ATOM 1544 OG1 THR A 95 -11.742 -0.390 -2.573 1.00 52.14 O ATOM 1545 CG2 THR A 95 -9.470 0.056 -1.865 1.00 13.13 C ATOM 0 H THR A 95 -11.308 1.562 -4.075 1.00 4.13 H new ATOM 0 HA THR A 95 -9.002 -0.242 -4.560 1.00 72.14 H new ATOM 0 HB THR A 95 -10.160 -1.697 -2.916 1.00 41.42 H new ATOM 0 HG1 THR A 95 -12.295 -0.451 -3.380 1.00 52.14 H new ATOM 0 HG21 THR A 95 -9.707 -0.335 -0.876 1.00 13.13 H new ATOM 0 HG22 THR A 95 -8.423 -0.145 -2.094 1.00 13.13 H new ATOM 0 HG23 THR A 95 -9.645 1.132 -1.881 1.00 13.13 H new ATOM 1553 N THR A 96 -10.150 -1.372 -6.440 1.00 4.13 N ATOM 1554 CA THR A 96 -10.738 -2.158 -7.529 1.00 10.33 C ATOM 1555 C THR A 96 -10.117 -3.569 -7.525 1.00 72.10 C ATOM 1556 O THR A 96 -8.934 -3.740 -7.835 1.00 22.23 O ATOM 1557 CB THR A 96 -10.490 -1.439 -8.902 1.00 1.32 C ATOM 1558 OG1 THR A 96 -11.028 -0.102 -8.848 1.00 44.23 O ATOM 1559 CG2 THR A 96 -11.126 -2.199 -10.084 1.00 72.12 C ATOM 0 H THR A 96 -9.144 -1.235 -6.536 1.00 4.13 H new ATOM 0 HA THR A 96 -11.815 -2.246 -7.384 1.00 10.33 H new ATOM 0 HB THR A 96 -9.413 -1.412 -9.069 1.00 1.32 H new ATOM 0 HG1 THR A 96 -10.872 0.348 -9.704 1.00 44.23 H new ATOM 0 HG21 THR A 96 -10.927 -1.662 -11.011 1.00 72.12 H new ATOM 0 HG22 THR A 96 -10.699 -3.200 -10.145 1.00 72.12 H new ATOM 0 HG23 THR A 96 -12.203 -2.273 -9.932 1.00 72.12 H new ATOM 1567 N THR A 97 -10.914 -4.578 -7.154 1.00 62.11 N ATOM 1568 CA THR A 97 -10.451 -5.966 -7.061 1.00 71.55 C ATOM 1569 C THR A 97 -10.834 -6.731 -8.347 1.00 41.10 C ATOM 1570 O THR A 97 -12.012 -7.001 -8.610 1.00 73.11 O ATOM 1571 CB THR A 97 -10.995 -6.663 -5.760 1.00 55.15 C ATOM 1572 OG1 THR A 97 -10.556 -8.029 -5.717 1.00 24.34 O ATOM 1573 CG2 THR A 97 -12.529 -6.584 -5.608 1.00 70.03 C ATOM 0 H THR A 97 -11.897 -4.455 -6.910 1.00 62.11 H new ATOM 0 HA THR A 97 -9.364 -5.976 -6.979 1.00 71.55 H new ATOM 0 HB THR A 97 -10.582 -6.111 -4.916 1.00 55.15 H new ATOM 0 HG1 THR A 97 -9.616 -8.062 -5.442 1.00 24.34 H new ATOM 0 HG21 THR A 97 -12.830 -7.086 -4.688 1.00 70.03 H new ATOM 0 HG22 THR A 97 -12.837 -5.539 -5.569 1.00 70.03 H new ATOM 0 HG23 THR A 97 -13.005 -7.071 -6.459 1.00 70.03 H new ATOM 1581 N ASP A 98 -9.823 -7.015 -9.181 1.00 1.15 N ATOM 1582 CA ASP A 98 -10.003 -7.719 -10.466 1.00 3.30 C ATOM 1583 C ASP A 98 -9.414 -9.133 -10.353 1.00 51.32 C ATOM 1584 O ASP A 98 -8.486 -9.365 -9.557 1.00 14.15 O ATOM 1585 CB ASP A 98 -9.330 -6.907 -11.607 1.00 32.41 C ATOM 1586 CG ASP A 98 -9.661 -7.424 -13.020 1.00 23.50 C ATOM 1587 OD1 ASP A 98 -10.699 -7.008 -13.586 1.00 3.22 O ATOM 1588 OD2 ASP A 98 -8.898 -8.250 -13.571 1.00 61.22 O ATOM 0 H ASP A 98 -8.854 -6.764 -8.986 1.00 1.15 H new ATOM 0 HA ASP A 98 -11.063 -7.808 -10.703 1.00 3.30 H new ATOM 0 HB2 ASP A 98 -9.640 -5.865 -11.530 1.00 32.41 H new ATOM 0 HB3 ASP A 98 -8.249 -6.929 -11.467 1.00 32.41 H new ATOM 1593 N GLY A 99 -9.977 -10.065 -11.146 1.00 63.01 N ATOM 1594 CA GLY A 99 -9.582 -11.475 -11.130 1.00 42.35 C ATOM 1595 C GLY A 99 -8.155 -11.720 -11.617 1.00 10.10 C ATOM 1596 O GLY A 99 -7.554 -12.744 -11.286 1.00 11.41 O ATOM 0 H GLY A 99 -10.719 -9.855 -11.814 1.00 63.01 H new ATOM 0 HA2 GLY A 99 -9.681 -11.859 -10.115 1.00 42.35 H new ATOM 0 HA3 GLY A 99 -10.272 -12.043 -11.754 1.00 42.35 H new ATOM 1600 N ASP A 100 -7.617 -10.780 -12.410 1.00 52.13 N ATOM 1601 CA ASP A 100 -6.243 -10.858 -12.939 1.00 3.55 C ATOM 1602 C ASP A 100 -5.268 -10.160 -11.967 1.00 2.15 C ATOM 1603 O ASP A 100 -4.352 -10.793 -11.424 1.00 42.13 O ATOM 1604 CB ASP A 100 -6.171 -10.210 -14.350 1.00 54.04 C ATOM 1605 CG ASP A 100 -4.783 -10.339 -15.000 1.00 60.05 C ATOM 1606 OD1 ASP A 100 -4.474 -11.419 -15.547 1.00 45.02 O ATOM 1607 OD2 ASP A 100 -3.994 -9.374 -14.954 1.00 13.11 O ATOM 0 H ASP A 100 -8.121 -9.943 -12.704 1.00 52.13 H new ATOM 0 HA ASP A 100 -5.955 -11.905 -13.031 1.00 3.55 H new ATOM 0 HB2 ASP A 100 -6.914 -10.677 -14.997 1.00 54.04 H new ATOM 0 HB3 ASP A 100 -6.434 -9.155 -14.273 1.00 54.04 H new ATOM 1612 N THR A 101 -5.503 -8.851 -11.742 1.00 2.13 N ATOM 1613 CA THR A 101 -4.647 -7.992 -10.895 1.00 20.25 C ATOM 1614 C THR A 101 -5.517 -7.174 -9.918 1.00 61.44 C ATOM 1615 O THR A 101 -6.449 -6.478 -10.330 1.00 12.25 O ATOM 1616 CB THR A 101 -3.761 -7.029 -11.775 1.00 12.44 C ATOM 1617 OG1 THR A 101 -2.922 -7.808 -12.645 1.00 33.10 O ATOM 1618 CG2 THR A 101 -2.860 -6.087 -10.941 1.00 3.24 C ATOM 0 H THR A 101 -6.298 -8.356 -12.146 1.00 2.13 H new ATOM 0 HA THR A 101 -3.979 -8.636 -10.323 1.00 20.25 H new ATOM 0 HB THR A 101 -4.454 -6.405 -12.340 1.00 12.44 H new ATOM 0 HG1 THR A 101 -3.475 -8.253 -13.321 1.00 33.10 H new ATOM 0 HG21 THR A 101 -2.278 -5.453 -11.610 1.00 3.24 H new ATOM 0 HG22 THR A 101 -3.482 -5.463 -10.299 1.00 3.24 H new ATOM 0 HG23 THR A 101 -2.184 -6.681 -10.325 1.00 3.24 H new ATOM 1626 N PHE A 102 -5.208 -7.282 -8.625 1.00 42.15 N ATOM 1627 CA PHE A 102 -5.809 -6.451 -7.577 1.00 1.22 C ATOM 1628 C PHE A 102 -5.183 -5.032 -7.653 1.00 23.31 C ATOM 1629 O PHE A 102 -4.005 -4.840 -7.333 1.00 35.30 O ATOM 1630 CB PHE A 102 -5.552 -7.129 -6.208 1.00 3.22 C ATOM 1631 CG PHE A 102 -6.108 -6.375 -5.002 1.00 34.23 C ATOM 1632 CD1 PHE A 102 -7.482 -6.252 -4.822 1.00 62.33 C ATOM 1633 CD2 PHE A 102 -5.262 -5.775 -4.062 1.00 13.30 C ATOM 1634 CE1 PHE A 102 -7.998 -5.563 -3.745 1.00 1.25 C ATOM 1635 CE2 PHE A 102 -5.780 -5.085 -2.986 1.00 51.21 C ATOM 1636 CZ PHE A 102 -7.149 -4.977 -2.830 1.00 71.14 C ATOM 0 H PHE A 102 -4.528 -7.954 -8.271 1.00 42.15 H new ATOM 0 HA PHE A 102 -6.886 -6.351 -7.709 1.00 1.22 H new ATOM 0 HB2 PHE A 102 -5.988 -8.128 -6.226 1.00 3.22 H new ATOM 0 HB3 PHE A 102 -4.477 -7.253 -6.077 1.00 3.22 H new ATOM 0 HD1 PHE A 102 -8.155 -6.703 -5.537 1.00 62.33 H new ATOM 0 HD2 PHE A 102 -4.191 -5.853 -4.181 1.00 13.30 H new ATOM 0 HE1 PHE A 102 -9.067 -5.482 -3.618 1.00 1.25 H new ATOM 0 HE2 PHE A 102 -5.116 -4.629 -2.266 1.00 51.21 H new ATOM 0 HZ PHE A 102 -7.555 -4.433 -1.990 1.00 71.14 H new ATOM 1646 N GLU A 103 -5.993 -4.060 -8.108 1.00 41.44 N ATOM 1647 CA GLU A 103 -5.527 -2.709 -8.469 1.00 14.11 C ATOM 1648 C GLU A 103 -6.149 -1.670 -7.519 1.00 15.30 C ATOM 1649 O GLU A 103 -7.364 -1.462 -7.531 1.00 54.21 O ATOM 1650 CB GLU A 103 -5.938 -2.410 -9.940 1.00 2.13 C ATOM 1651 CG GLU A 103 -5.250 -1.184 -10.573 1.00 34.30 C ATOM 1652 CD GLU A 103 -3.747 -1.405 -10.827 1.00 45.04 C ATOM 1653 OE1 GLU A 103 -2.928 -1.150 -9.927 1.00 71.33 O ATOM 1654 OE2 GLU A 103 -3.373 -1.840 -11.936 1.00 45.24 O ATOM 0 H GLU A 103 -6.996 -4.191 -8.237 1.00 41.44 H new ATOM 0 HA GLU A 103 -4.442 -2.655 -8.378 1.00 14.11 H new ATOM 0 HB2 GLU A 103 -5.716 -3.287 -10.549 1.00 2.13 H new ATOM 0 HB3 GLU A 103 -7.017 -2.261 -9.977 1.00 2.13 H new ATOM 0 HG2 GLU A 103 -5.741 -0.945 -11.516 1.00 34.30 H new ATOM 0 HG3 GLU A 103 -5.380 -0.322 -9.918 1.00 34.30 H new ATOM 1661 N VAL A 104 -5.311 -1.023 -6.696 1.00 5.01 N ATOM 1662 CA VAL A 104 -5.747 0.001 -5.724 1.00 13.25 C ATOM 1663 C VAL A 104 -4.847 1.229 -5.862 1.00 45.25 C ATOM 1664 O VAL A 104 -3.689 1.195 -5.444 1.00 21.33 O ATOM 1665 CB VAL A 104 -5.670 -0.535 -4.232 1.00 54.40 C ATOM 1666 CG1 VAL A 104 -5.991 0.577 -3.189 1.00 2.12 C ATOM 1667 CG2 VAL A 104 -6.597 -1.751 -4.045 1.00 65.22 C ATOM 0 H VAL A 104 -4.305 -1.193 -6.683 1.00 5.01 H new ATOM 0 HA VAL A 104 -6.785 0.254 -5.938 1.00 13.25 H new ATOM 0 HB VAL A 104 -4.642 -0.850 -4.053 1.00 54.40 H new ATOM 0 HG11 VAL A 104 -5.926 0.162 -2.183 1.00 2.12 H new ATOM 0 HG12 VAL A 104 -5.274 1.391 -3.293 1.00 2.12 H new ATOM 0 HG13 VAL A 104 -6.998 0.957 -3.360 1.00 2.12 H new ATOM 0 HG21 VAL A 104 -6.531 -2.104 -3.016 1.00 65.22 H new ATOM 0 HG22 VAL A 104 -7.625 -1.462 -4.264 1.00 65.22 H new ATOM 0 HG23 VAL A 104 -6.292 -2.548 -4.723 1.00 65.22 H new ATOM 1677 N GLU A 105 -5.375 2.313 -6.437 1.00 45.11 N ATOM 1678 CA GLU A 105 -4.655 3.588 -6.510 1.00 70.02 C ATOM 1679 C GLU A 105 -5.111 4.419 -5.314 1.00 35.00 C ATOM 1680 O GLU A 105 -6.311 4.588 -5.087 1.00 34.40 O ATOM 1681 CB GLU A 105 -4.921 4.336 -7.846 1.00 3.10 C ATOM 1682 CG GLU A 105 -4.124 5.661 -7.986 1.00 31.41 C ATOM 1683 CD GLU A 105 -4.271 6.336 -9.361 1.00 14.43 C ATOM 1684 OE1 GLU A 105 -3.519 5.973 -10.299 1.00 30.24 O ATOM 1685 OE2 GLU A 105 -5.135 7.230 -9.520 1.00 55.23 O ATOM 0 H GLU A 105 -6.303 2.333 -6.861 1.00 45.11 H new ATOM 0 HA GLU A 105 -3.580 3.413 -6.481 1.00 70.02 H new ATOM 0 HB2 GLU A 105 -4.666 3.679 -8.678 1.00 3.10 H new ATOM 0 HB3 GLU A 105 -5.986 4.552 -7.926 1.00 3.10 H new ATOM 0 HG2 GLU A 105 -4.455 6.356 -7.214 1.00 31.41 H new ATOM 0 HG3 GLU A 105 -3.069 5.460 -7.802 1.00 31.41 H new ATOM 1692 N VAL A 106 -4.148 4.884 -4.524 1.00 45.34 N ATOM 1693 CA VAL A 106 -4.406 5.663 -3.318 1.00 41.10 C ATOM 1694 C VAL A 106 -4.206 7.148 -3.664 1.00 33.12 C ATOM 1695 O VAL A 106 -3.076 7.596 -3.871 1.00 53.31 O ATOM 1696 CB VAL A 106 -3.437 5.206 -2.151 1.00 54.11 C ATOM 1697 CG1 VAL A 106 -3.800 5.877 -0.821 1.00 53.24 C ATOM 1698 CG2 VAL A 106 -3.415 3.662 -1.996 1.00 55.33 C ATOM 0 H VAL A 106 -3.156 4.729 -4.705 1.00 45.34 H new ATOM 0 HA VAL A 106 -5.426 5.504 -2.968 1.00 41.10 H new ATOM 0 HB VAL A 106 -2.434 5.529 -2.428 1.00 54.11 H new ATOM 0 HG11 VAL A 106 -3.114 5.540 -0.044 1.00 53.24 H new ATOM 0 HG12 VAL A 106 -3.724 6.959 -0.927 1.00 53.24 H new ATOM 0 HG13 VAL A 106 -4.820 5.610 -0.545 1.00 53.24 H new ATOM 0 HG21 VAL A 106 -2.739 3.387 -1.186 1.00 55.33 H new ATOM 0 HG22 VAL A 106 -4.419 3.305 -1.768 1.00 55.33 H new ATOM 0 HG23 VAL A 106 -3.071 3.208 -2.925 1.00 55.33 H new ATOM 1708 N ILE A 107 -5.326 7.892 -3.763 1.00 63.31 N ATOM 1709 CA ILE A 107 -5.319 9.308 -4.149 1.00 53.13 C ATOM 1710 C ILE A 107 -5.218 10.148 -2.871 1.00 63.42 C ATOM 1711 O ILE A 107 -6.212 10.341 -2.159 1.00 2.23 O ATOM 1712 CB ILE A 107 -6.594 9.742 -4.993 1.00 3.11 C ATOM 1713 CG1 ILE A 107 -6.733 8.914 -6.325 1.00 20.15 C ATOM 1714 CG2 ILE A 107 -6.566 11.273 -5.294 1.00 43.32 C ATOM 1715 CD1 ILE A 107 -7.255 7.494 -6.164 1.00 62.24 C ATOM 0 H ILE A 107 -6.259 7.523 -3.576 1.00 63.31 H new ATOM 0 HA ILE A 107 -4.463 9.474 -4.803 1.00 53.13 H new ATOM 0 HB ILE A 107 -7.471 9.524 -4.384 1.00 3.11 H new ATOM 0 HG12 ILE A 107 -7.399 9.453 -6.999 1.00 20.15 H new ATOM 0 HG13 ILE A 107 -5.757 8.871 -6.809 1.00 20.15 H new ATOM 0 HG21 ILE A 107 -7.448 11.546 -5.873 1.00 43.32 H new ATOM 0 HG22 ILE A 107 -6.561 11.828 -4.356 1.00 43.32 H new ATOM 0 HG23 ILE A 107 -5.669 11.515 -5.864 1.00 43.32 H new ATOM 0 HD11 ILE A 107 -7.312 7.014 -7.141 1.00 62.24 H new ATOM 0 HD12 ILE A 107 -6.580 6.929 -5.521 1.00 62.24 H new ATOM 0 HD13 ILE A 107 -8.248 7.520 -5.714 1.00 62.24 H new ATOM 1727 N LEU A 108 -3.997 10.591 -2.559 1.00 54.41 N ATOM 1728 CA LEU A 108 -3.715 11.412 -1.384 1.00 2.45 C ATOM 1729 C LEU A 108 -3.513 12.860 -1.831 1.00 14.42 C ATOM 1730 O LEU A 108 -2.446 13.226 -2.332 1.00 23.24 O ATOM 1731 CB LEU A 108 -2.461 10.864 -0.659 1.00 11.42 C ATOM 1732 CG LEU A 108 -2.535 9.366 -0.238 1.00 50.52 C ATOM 1733 CD1 LEU A 108 -1.273 8.937 0.533 1.00 73.53 C ATOM 1734 CD2 LEU A 108 -3.836 9.063 0.560 1.00 53.13 C ATOM 0 H LEU A 108 -3.171 10.387 -3.121 1.00 54.41 H new ATOM 0 HA LEU A 108 -4.549 11.377 -0.684 1.00 2.45 H new ATOM 0 HB2 LEU A 108 -1.597 10.999 -1.310 1.00 11.42 H new ATOM 0 HB3 LEU A 108 -2.285 11.466 0.232 1.00 11.42 H new ATOM 0 HG LEU A 108 -2.573 8.768 -1.148 1.00 50.52 H new ATOM 0 HD11 LEU A 108 -1.357 7.887 0.812 1.00 73.53 H new ATOM 0 HD12 LEU A 108 -0.396 9.076 -0.099 1.00 73.53 H new ATOM 0 HD13 LEU A 108 -1.172 9.544 1.432 1.00 73.53 H new ATOM 0 HD21 LEU A 108 -3.855 8.009 0.838 1.00 53.13 H new ATOM 0 HD22 LEU A 108 -3.862 9.676 1.461 1.00 53.13 H new ATOM 0 HD23 LEU A 108 -4.704 9.291 -0.059 1.00 53.13 H new ATOM 1746 N GLU A 109 -4.548 13.682 -1.652 1.00 33.11 N ATOM 1747 CA GLU A 109 -4.528 15.094 -2.050 1.00 31.32 C ATOM 1748 C GLU A 109 -4.013 15.955 -0.886 1.00 71.13 C ATOM 1749 O GLU A 109 -4.739 16.220 0.079 1.00 41.53 O ATOM 1750 CB GLU A 109 -5.935 15.548 -2.511 1.00 41.03 C ATOM 1751 CG GLU A 109 -6.421 14.836 -3.799 1.00 60.14 C ATOM 1752 CD GLU A 109 -7.726 15.405 -4.383 1.00 51.11 C ATOM 1753 OE1 GLU A 109 -7.736 16.582 -4.803 1.00 10.45 O ATOM 1754 OE2 GLU A 109 -8.744 14.680 -4.449 1.00 12.41 O ATOM 0 H GLU A 109 -5.427 13.388 -1.226 1.00 33.11 H new ATOM 0 HA GLU A 109 -3.850 15.220 -2.894 1.00 31.32 H new ATOM 0 HB2 GLU A 109 -6.650 15.361 -1.710 1.00 41.03 H new ATOM 0 HB3 GLU A 109 -5.923 16.624 -2.682 1.00 41.03 H new ATOM 0 HG2 GLU A 109 -5.639 14.904 -4.555 1.00 60.14 H new ATOM 0 HG3 GLU A 109 -6.565 13.777 -3.583 1.00 60.14 H new ATOM 1761 N LEU A 110 -2.725 16.316 -0.954 1.00 43.10 N ATOM 1762 CA LEU A 110 -2.098 17.259 -0.020 1.00 73.52 C ATOM 1763 C LEU A 110 -1.910 18.590 -0.744 1.00 32.21 C ATOM 1764 O LEU A 110 -1.140 18.664 -1.707 1.00 0.33 O ATOM 1765 CB LEU A 110 -0.718 16.741 0.492 1.00 74.31 C ATOM 1766 CG LEU A 110 -0.722 15.404 1.317 1.00 11.30 C ATOM 1767 CD1 LEU A 110 -0.876 14.157 0.424 1.00 15.15 C ATOM 1768 CD2 LEU A 110 0.529 15.303 2.199 1.00 75.45 C ATOM 0 H LEU A 110 -2.085 15.959 -1.664 1.00 43.10 H new ATOM 0 HA LEU A 110 -2.744 17.373 0.851 1.00 73.52 H new ATOM 0 HB2 LEU A 110 -0.065 16.605 -0.370 1.00 74.31 H new ATOM 0 HB3 LEU A 110 -0.272 17.520 1.110 1.00 74.31 H new ATOM 0 HG LEU A 110 -1.599 15.433 1.964 1.00 11.30 H new ATOM 0 HD11 LEU A 110 -0.872 13.262 1.046 1.00 15.15 H new ATOM 0 HD12 LEU A 110 -1.817 14.215 -0.123 1.00 15.15 H new ATOM 0 HD13 LEU A 110 -0.048 14.111 -0.283 1.00 15.15 H new ATOM 0 HD21 LEU A 110 0.504 14.369 2.761 1.00 75.45 H new ATOM 0 HD22 LEU A 110 1.420 15.325 1.571 1.00 75.45 H new ATOM 0 HD23 LEU A 110 0.554 16.143 2.893 1.00 75.45 H new ATOM 1780 N GLU A 111 -2.659 19.618 -0.315 1.00 63.21 N ATOM 1781 CA GLU A 111 -2.418 21.002 -0.743 1.00 54.10 C ATOM 1782 C GLU A 111 -1.131 21.490 -0.053 1.00 34.44 C ATOM 1783 O GLU A 111 -0.151 21.825 -0.720 1.00 31.41 O ATOM 1784 CB GLU A 111 -3.626 21.917 -0.391 1.00 24.15 C ATOM 1785 CG GLU A 111 -4.959 21.522 -1.061 1.00 32.02 C ATOM 1786 CD GLU A 111 -6.115 22.464 -0.683 1.00 73.03 C ATOM 1787 OE1 GLU A 111 -6.211 23.573 -1.259 1.00 13.24 O ATOM 1788 OE2 GLU A 111 -6.917 22.122 0.216 1.00 13.00 O ATOM 0 H GLU A 111 -3.441 19.514 0.332 1.00 63.21 H new ATOM 0 HA GLU A 111 -2.301 21.044 -1.826 1.00 54.10 H new ATOM 0 HB2 GLU A 111 -3.764 21.911 0.690 1.00 24.15 H new ATOM 0 HB3 GLU A 111 -3.383 22.941 -0.676 1.00 24.15 H new ATOM 0 HG2 GLU A 111 -4.832 21.526 -2.144 1.00 32.02 H new ATOM 0 HG3 GLU A 111 -5.217 20.503 -0.774 1.00 32.02 H new ATOM 1795 N HIS A 112 -1.168 21.509 1.299 1.00 2.25 N ATOM 1796 CA HIS A 112 0.005 21.683 2.184 1.00 73.12 C ATOM 1797 C HIS A 112 -0.380 21.238 3.609 1.00 23.34 C ATOM 1798 O HIS A 112 -0.102 20.097 4.002 1.00 1.21 O ATOM 1799 CB HIS A 112 0.573 23.151 2.194 1.00 33.52 C ATOM 1800 CG HIS A 112 1.579 23.462 1.117 1.00 51.11 C ATOM 1801 ND1 HIS A 112 1.532 24.594 0.340 1.00 0.52 N ATOM 1802 CD2 HIS A 112 2.682 22.787 0.718 1.00 15.32 C ATOM 1803 CE1 HIS A 112 2.554 24.596 -0.486 1.00 23.55 C ATOM 1804 NE2 HIS A 112 3.262 23.514 -0.279 1.00 73.32 N ATOM 0 H HIS A 112 -2.039 21.401 1.818 1.00 2.25 H new ATOM 0 HA HIS A 112 0.810 21.062 1.791 1.00 73.12 H new ATOM 0 HB2 HIS A 112 -0.261 23.846 2.100 1.00 33.52 H new ATOM 0 HB3 HIS A 112 1.035 23.337 3.164 1.00 33.52 H new ATOM 0 HD2 HIS A 112 3.037 21.847 1.115 1.00 15.32 H new ATOM 0 HE1 HIS A 112 2.774 25.363 -1.214 1.00 23.55 H new ATOM 0 HE2 HIS A 112 4.111 23.257 -0.783 1.00 73.32 H new ATOM 1813 N HIS A 113 -1.068 22.125 4.359 1.00 35.50 N ATOM 1814 CA HIS A 113 -1.360 21.902 5.790 1.00 11.20 C ATOM 1815 C HIS A 113 -2.488 20.880 5.988 1.00 73.54 C ATOM 1816 O HIS A 113 -3.381 20.750 5.146 1.00 2.31 O ATOM 1817 CB HIS A 113 -1.714 23.236 6.507 1.00 20.33 C ATOM 1818 CG HIS A 113 -2.938 23.972 5.987 1.00 13.52 C ATOM 1819 ND1 HIS A 113 -2.871 25.170 5.302 1.00 32.25 N ATOM 1820 CD2 HIS A 113 -4.262 23.683 6.075 1.00 71.14 C ATOM 1821 CE1 HIS A 113 -4.092 25.571 5.002 1.00 52.13 C ATOM 1822 NE2 HIS A 113 -4.945 24.688 5.460 1.00 52.23 N ATOM 0 H HIS A 113 -1.433 23.005 3.995 1.00 35.50 H new ATOM 0 HA HIS A 113 -0.454 21.496 6.239 1.00 11.20 H new ATOM 0 HB2 HIS A 113 -1.864 23.027 7.566 1.00 20.33 H new ATOM 0 HB3 HIS A 113 -0.855 23.903 6.433 1.00 20.33 H new ATOM 0 HD2 HIS A 113 -4.695 22.814 6.547 1.00 71.14 H new ATOM 0 HE1 HIS A 113 -4.346 26.475 4.469 1.00 52.13 H new ATOM 0 HE2 HIS A 113 -5.959 24.744 5.370 1.00 52.23 H new ATOM 1831 N HIS A 114 -2.437 20.171 7.116 1.00 33.02 N ATOM 1832 CA HIS A 114 -3.531 19.304 7.588 1.00 72.43 C ATOM 1833 C HIS A 114 -3.682 19.464 9.102 1.00 11.41 C ATOM 1834 O HIS A 114 -2.682 19.628 9.817 1.00 73.35 O ATOM 1835 CB HIS A 114 -3.286 17.813 7.218 1.00 53.13 C ATOM 1836 CG HIS A 114 -3.588 17.483 5.777 1.00 44.53 C ATOM 1837 ND1 HIS A 114 -4.768 17.444 5.111 1.00 33.30 N flip ATOM 1838 CD2 HIS A 114 -2.624 17.128 4.858 1.00 22.34 C flip ATOM 1839 CE1 HIS A 114 -4.494 17.076 3.827 1.00 5.32 C flip ATOM 1840 NE2 HIS A 114 -3.199 16.888 3.696 1.00 24.20 N flip ATOM 0 H HIS A 114 -1.629 20.179 7.738 1.00 33.02 H new ATOM 0 HA HIS A 114 -4.452 19.609 7.092 1.00 72.43 H new ATOM 0 HB2 HIS A 114 -2.246 17.563 7.427 1.00 53.13 H new ATOM 0 HB3 HIS A 114 -3.901 17.183 7.861 1.00 53.13 H new ATOM 0 HD1 HIS A 114 -5.689 17.651 5.498 1.00 33.30 H new ATOM 0 HD2 HIS A 114 -1.565 17.058 5.058 1.00 22.34 H new ATOM 0 HE1 HIS A 114 -5.225 16.958 3.041 1.00 5.32 H new ATOM 1849 N HIS A 115 -4.943 19.433 9.570 1.00 13.23 N ATOM 1850 CA HIS A 115 -5.274 19.483 10.999 1.00 25.25 C ATOM 1851 C HIS A 115 -4.963 18.126 11.655 1.00 31.10 C ATOM 1852 O HIS A 115 -5.837 17.256 11.792 1.00 34.20 O ATOM 1853 CB HIS A 115 -6.761 19.891 11.206 1.00 30.30 C ATOM 1854 CG HIS A 115 -7.091 21.296 10.746 1.00 54.23 C ATOM 1855 ND1 HIS A 115 -8.270 21.632 10.110 1.00 40.11 N ATOM 1856 CD2 HIS A 115 -6.399 22.456 10.862 1.00 34.00 C ATOM 1857 CE1 HIS A 115 -8.285 22.927 9.862 1.00 5.13 C ATOM 1858 NE2 HIS A 115 -7.164 23.448 10.307 1.00 45.31 N ATOM 0 H HIS A 115 -5.761 19.372 8.963 1.00 13.23 H new ATOM 0 HA HIS A 115 -4.660 20.243 11.481 1.00 25.25 H new ATOM 0 HB2 HIS A 115 -7.397 19.187 10.670 1.00 30.30 H new ATOM 0 HB3 HIS A 115 -7.007 19.800 12.264 1.00 30.30 H new ATOM 0 HD2 HIS A 115 -5.424 22.576 11.310 1.00 34.00 H new ATOM 0 HE1 HIS A 115 -9.083 23.468 9.376 1.00 5.13 H new ATOM 0 HE2 HIS A 115 -6.905 24.433 10.249 1.00 45.31 H new ATOM 1867 N HIS A 116 -3.676 17.941 11.991 1.00 3.51 N ATOM 1868 CA HIS A 116 -3.190 16.738 12.670 1.00 3.35 C ATOM 1869 C HIS A 116 -3.503 16.837 14.167 1.00 13.30 C ATOM 1870 O HIS A 116 -3.436 17.925 14.755 1.00 3.04 O ATOM 1871 CB HIS A 116 -1.661 16.536 12.451 1.00 45.12 C ATOM 1872 CG HIS A 116 -0.772 17.543 13.148 1.00 33.11 C ATOM 1873 ND1 HIS A 116 -0.411 17.436 14.480 1.00 70.24 N ATOM 1874 CD2 HIS A 116 -0.181 18.679 12.699 1.00 4.11 C ATOM 1875 CE1 HIS A 116 0.353 18.455 14.812 1.00 12.01 C ATOM 1876 NE2 HIS A 116 0.507 19.226 13.753 1.00 2.35 N ATOM 0 H HIS A 116 -2.945 18.625 11.797 1.00 3.51 H new ATOM 0 HA HIS A 116 -3.699 15.873 12.244 1.00 3.35 H new ATOM 0 HB2 HIS A 116 -1.390 15.537 12.794 1.00 45.12 H new ATOM 0 HB3 HIS A 116 -1.455 16.573 11.381 1.00 45.12 H new ATOM 0 HD1 HIS A 116 -0.694 16.683 15.108 1.00 70.24 H new ATOM 0 HD2 HIS A 116 -0.241 19.079 11.697 1.00 4.11 H new ATOM 0 HE1 HIS A 116 0.782 18.630 15.788 1.00 12.01 H new ATOM 1885 N HIS A 117 -3.861 15.708 14.772 1.00 64.02 N ATOM 1886 CA HIS A 117 -4.022 15.601 16.229 1.00 33.40 C ATOM 1887 C HIS A 117 -2.692 15.078 16.831 1.00 0.04 C ATOM 1888 O HIS A 117 -2.552 13.857 17.042 1.00 53.43 O ATOM 1889 CB HIS A 117 -5.249 14.699 16.571 1.00 10.24 C ATOM 1890 CG HIS A 117 -6.579 15.309 16.192 1.00 3.20 C ATOM 1891 ND1 HIS A 117 -7.228 15.034 15.006 1.00 53.03 N ATOM 1892 CD2 HIS A 117 -7.380 16.185 16.852 1.00 33.44 C ATOM 1893 CE1 HIS A 117 -8.357 15.710 14.954 1.00 14.22 C ATOM 1894 NE2 HIS A 117 -8.477 16.414 16.060 1.00 60.42 N ATOM 1895 OXT HIS A 117 -1.764 15.895 17.034 1.00 37.99 O ATOM 0 H HIS A 117 -4.049 14.839 14.272 1.00 64.02 H new ATOM 0 HA HIS A 117 -4.231 16.574 16.673 1.00 33.40 H new ATOM 0 HB2 HIS A 117 -5.139 13.743 16.059 1.00 10.24 H new ATOM 0 HB3 HIS A 117 -5.247 14.490 17.641 1.00 10.24 H new ATOM 0 HD2 HIS A 117 -7.189 16.621 17.821 1.00 33.44 H new ATOM 0 HE1 HIS A 117 -9.066 15.690 14.140 1.00 14.22 H new ATOM 0 HE2 HIS A 117 -9.258 17.029 16.290 1.00 60.42 H new TER 1904 HIS A 117