USER MOD reduce.3.24.130724 H: found=0, std=0, add=838, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 833 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 42 THR OG1 : rot -160:sc= 0 USER MOD Set 1.2: A 56 GLN : amide:sc= -0.0676 K(o=-0.068,f=-2.1) USER MOD Set 2.1: A 24 HIS : no HD1:sc= -0.191 K(o=-0.19,f=-1.1) USER MOD Set 2.2: A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -170:sc= 0 (180deg=-0.114) USER MOD Single : A 2 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 4 GLN : amide:sc= 0 X(o=0,f=-0.38) USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 7 ASN : amide:sc= -0.296 X(o=-0.3,f=0) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 SER OG : rot 6:sc= 0.238 USER MOD Single : A 19 THR OG1 : rot 180:sc= 0.0617 USER MOD Single : A 20 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 21 GLN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 129:sc= 0.0535 (180deg=-1.19) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ -152:sc= 0 (180deg=-0.554) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 38 CYS SG : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot -31:sc= 0.706 USER MOD Single : A 40 GLN : amide:sc= -0.131 K(o=-0.13,f=-1.7!) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 47 ASN : amide:sc= -0.0376 X(o=-0.038,f=-0.53) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0.0575 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 52 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ -137:sc= -0.0459 (180deg=-0.871) USER MOD Single : A 57 GLN : amide:sc= -0.676 X(o=-0.68,f=-0.81) USER MOD Single : A 59 CYS SG : rot -34:sc= 0.708 USER MOD Single : A 61 SER OG : rot -150:sc= 0 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0.0375 USER MOD Single : A 64 THR OG1 : rot 180:sc= -0.298 USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 HIS : no HD1:sc= 0 X(o=0,f=-0.18) USER MOD Single : A 76 LYS NZ :NH3+ -164:sc=-0.00296 (180deg=-0.103) USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 GLN : amide:sc= -0.0359 K(o=-0.036,f=-4.5!) USER MOD Single : A 85 ASN : amide:sc= -0.0535 K(o=-0.054,f=-1.6!) USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 SER OG : rot 180:sc= 0.0676 USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 ASN : amide:sc= -0.294 X(o=-0.29,f=-0.4) USER MOD Single : A 99 THR OG1 : rot 180:sc= 0 USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -3.158 -0.865 -1.162 1.00 53.54 N ATOM 2 CA MET A 1 -2.544 0.186 -1.967 1.00 34.23 C ATOM 3 C MET A 1 -2.505 -0.211 -3.439 1.00 30.12 C ATOM 4 O MET A 1 -2.735 0.617 -4.320 1.00 33.02 O ATOM 5 CB MET A 1 -1.128 0.477 -1.467 1.00 21.40 C ATOM 6 CG MET A 1 -1.089 1.372 -0.238 1.00 22.20 C ATOM 7 SD MET A 1 -1.073 3.125 -0.657 1.00 40.02 S ATOM 8 CE MET A 1 0.058 3.759 0.580 1.00 21.44 C ATOM 0 H1 MET A 1 -3.329 -0.510 -0.199 1.00 53.54 H new ATOM 0 H2 MET A 1 -4.062 -1.148 -1.592 1.00 53.54 H new ATOM 0 H3 MET A 1 -2.522 -1.687 -1.120 1.00 53.54 H new ATOM 0 HA MET A 1 -3.149 1.087 -1.868 1.00 34.23 H new ATOM 0 HB2 MET A 1 -0.632 -0.466 -1.236 1.00 21.40 H new ATOM 0 HB3 MET A 1 -0.558 0.948 -2.268 1.00 21.40 H new ATOM 0 HG2 MET A 1 -1.955 1.160 0.389 1.00 22.20 H new ATOM 0 HG3 MET A 1 -0.203 1.135 0.351 1.00 22.20 H new ATOM 0 HE1 MET A 1 0.172 4.835 0.451 1.00 21.44 H new ATOM 0 HE2 MET A 1 -0.337 3.552 1.575 1.00 21.44 H new ATOM 0 HE3 MET A 1 1.028 3.275 0.468 1.00 21.44 H new ATOM 18 N GLN A 2 -2.212 -1.482 -3.697 1.00 51.34 N ATOM 19 CA GLN A 2 -2.143 -1.986 -5.064 1.00 73.01 C ATOM 20 C GLN A 2 -3.478 -2.589 -5.490 1.00 41.43 C ATOM 21 O GLN A 2 -3.536 -3.730 -5.946 1.00 70.33 O ATOM 22 CB GLN A 2 -1.035 -3.033 -5.187 1.00 23.14 C ATOM 23 CG GLN A 2 0.328 -2.534 -4.733 1.00 12.11 C ATOM 24 CD GLN A 2 1.437 -3.529 -5.012 1.00 41.30 C ATOM 25 OE1 GLN A 2 1.216 -4.560 -5.647 1.00 31.11 O ATOM 26 NE2 GLN A 2 2.639 -3.225 -4.537 1.00 51.55 N ATOM 0 H GLN A 2 -2.019 -2.180 -2.979 1.00 51.34 H new ATOM 0 HA GLN A 2 -1.917 -1.148 -5.723 1.00 73.01 H new ATOM 0 HB2 GLN A 2 -1.307 -3.908 -4.597 1.00 23.14 H new ATOM 0 HB3 GLN A 2 -0.967 -3.357 -6.225 1.00 23.14 H new ATOM 0 HG2 GLN A 2 0.553 -1.594 -5.237 1.00 12.11 H new ATOM 0 HG3 GLN A 2 0.296 -2.322 -3.664 1.00 12.11 H new ATOM 0 HE21 GLN A 2 2.777 -2.359 -4.016 1.00 51.55 H new ATOM 0 HE22 GLN A 2 3.424 -3.857 -4.693 1.00 51.55 H new ATOM 35 N GLU A 3 -4.546 -1.814 -5.338 1.00 53.54 N ATOM 36 CA GLU A 3 -5.880 -2.273 -5.707 1.00 74.32 C ATOM 37 C GLU A 3 -6.553 -1.285 -6.657 1.00 1.54 C ATOM 38 O GLU A 3 -6.814 -0.140 -6.292 1.00 42.32 O ATOM 39 CB GLU A 3 -6.743 -2.462 -4.457 1.00 11.44 C ATOM 40 CG GLU A 3 -6.130 -3.402 -3.431 1.00 41.25 C ATOM 41 CD GLU A 3 -6.164 -4.852 -3.876 1.00 42.55 C ATOM 42 OE1 GLU A 3 -6.990 -5.185 -4.751 1.00 42.44 O ATOM 43 OE2 GLU A 3 -5.364 -5.653 -3.349 1.00 12.44 O ATOM 0 H GLU A 3 -4.514 -0.866 -4.962 1.00 53.54 H new ATOM 0 HA GLU A 3 -5.778 -3.230 -6.218 1.00 74.32 H new ATOM 0 HB2 GLU A 3 -6.912 -1.491 -3.992 1.00 11.44 H new ATOM 0 HB3 GLU A 3 -7.718 -2.848 -4.754 1.00 11.44 H new ATOM 0 HG2 GLU A 3 -5.097 -3.107 -3.244 1.00 41.25 H new ATOM 0 HG3 GLU A 3 -6.665 -3.303 -2.487 1.00 41.25 H new ATOM 50 N GLN A 4 -6.829 -1.739 -7.875 1.00 5.21 N ATOM 51 CA GLN A 4 -7.468 -0.896 -8.877 1.00 43.54 C ATOM 52 C GLN A 4 -8.986 -1.043 -8.824 1.00 42.01 C ATOM 53 O GLN A 4 -9.523 -2.125 -9.058 1.00 32.41 O ATOM 54 CB GLN A 4 -6.958 -1.250 -10.275 1.00 33.23 C ATOM 55 CG GLN A 4 -5.603 -0.643 -10.600 1.00 3.03 C ATOM 56 CD GLN A 4 -4.995 -1.216 -11.865 1.00 34.41 C ATOM 57 OE1 GLN A 4 -5.008 -2.429 -12.080 1.00 2.53 O ATOM 58 NE2 GLN A 4 -4.458 -0.345 -12.711 1.00 62.43 N ATOM 0 H GLN A 4 -6.620 -2.686 -8.191 1.00 5.21 H new ATOM 0 HA GLN A 4 -7.213 0.141 -8.658 1.00 43.54 H new ATOM 0 HB2 GLN A 4 -6.892 -2.334 -10.365 1.00 33.23 H new ATOM 0 HB3 GLN A 4 -7.685 -0.913 -11.014 1.00 33.23 H new ATOM 0 HG2 GLN A 4 -5.709 0.436 -10.709 1.00 3.03 H new ATOM 0 HG3 GLN A 4 -4.923 -0.813 -9.765 1.00 3.03 H new ATOM 0 HE21 GLN A 4 -4.469 0.651 -12.493 1.00 62.43 H new ATOM 0 HE22 GLN A 4 -4.034 -0.672 -13.579 1.00 62.43 H new ATOM 67 N VAL A 5 -9.671 0.054 -8.516 1.00 74.12 N ATOM 68 CA VAL A 5 -11.127 0.047 -8.433 1.00 64.34 C ATOM 69 C VAL A 5 -11.744 0.895 -9.539 1.00 60.11 C ATOM 70 O VAL A 5 -12.662 1.679 -9.297 1.00 33.15 O ATOM 71 CB VAL A 5 -11.614 0.569 -7.069 1.00 50.22 C ATOM 72 CG1 VAL A 5 -11.240 -0.403 -5.960 1.00 51.02 C ATOM 73 CG2 VAL A 5 -11.041 1.951 -6.793 1.00 41.41 C ATOM 0 H VAL A 5 -9.241 0.958 -8.320 1.00 74.12 H new ATOM 0 HA VAL A 5 -11.446 -0.989 -8.552 1.00 64.34 H new ATOM 0 HB VAL A 5 -12.701 0.650 -7.097 1.00 50.22 H new ATOM 0 HG11 VAL A 5 -11.593 -0.017 -5.004 1.00 51.02 H new ATOM 0 HG12 VAL A 5 -11.702 -1.371 -6.153 1.00 51.02 H new ATOM 0 HG13 VAL A 5 -10.157 -0.519 -5.928 1.00 51.02 H new ATOM 0 HG21 VAL A 5 -11.395 2.305 -5.825 1.00 41.41 H new ATOM 0 HG22 VAL A 5 -9.952 1.898 -6.784 1.00 41.41 H new ATOM 0 HG23 VAL A 5 -11.364 2.641 -7.572 1.00 41.41 H new ATOM 83 N SER A 6 -11.235 0.732 -10.757 1.00 11.23 N ATOM 84 CA SER A 6 -11.734 1.485 -11.901 1.00 5.33 C ATOM 85 C SER A 6 -12.845 0.719 -12.613 1.00 11.30 C ATOM 86 O SER A 6 -13.937 1.243 -12.824 1.00 35.22 O ATOM 87 CB SER A 6 -10.595 1.782 -12.879 1.00 22.32 C ATOM 88 OG SER A 6 -10.927 2.861 -13.735 1.00 4.11 O ATOM 0 H SER A 6 -10.477 0.085 -10.976 1.00 11.23 H new ATOM 0 HA SER A 6 -12.143 2.426 -11.535 1.00 5.33 H new ATOM 0 HB2 SER A 6 -9.688 2.020 -12.324 1.00 22.32 H new ATOM 0 HB3 SER A 6 -10.381 0.894 -13.474 1.00 22.32 H new ATOM 0 HG SER A 6 -10.183 3.032 -14.349 1.00 4.11 H new ATOM 94 N ASN A 7 -12.554 -0.524 -12.981 1.00 34.41 N ATOM 95 CA ASN A 7 -13.528 -1.364 -13.671 1.00 11.13 C ATOM 96 C ASN A 7 -13.975 -2.521 -12.782 1.00 14.41 C ATOM 97 O ASN A 7 -13.159 -3.152 -12.109 1.00 33.30 O ATOM 98 CB ASN A 7 -12.935 -1.906 -14.972 1.00 4.34 C ATOM 99 CG ASN A 7 -12.066 -0.885 -15.681 1.00 54.11 C ATOM 100 OD1 ASN A 7 -12.540 -0.143 -16.543 1.00 11.12 O ATOM 101 ND2 ASN A 7 -10.789 -0.842 -15.321 1.00 13.31 N ATOM 0 H ASN A 7 -11.653 -0.972 -12.814 1.00 34.41 H new ATOM 0 HA ASN A 7 -14.398 -0.751 -13.904 1.00 11.13 H new ATOM 0 HB2 ASN A 7 -12.343 -2.795 -14.755 1.00 4.34 H new ATOM 0 HB3 ASN A 7 -13.743 -2.215 -15.635 1.00 4.34 H new ATOM 0 HD21 ASN A 7 -10.157 -0.175 -15.763 1.00 13.31 H new ATOM 0 HD22 ASN A 7 -10.440 -1.476 -14.602 1.00 13.31 H new ATOM 108 N VAL A 8 -15.276 -2.794 -12.784 1.00 43.11 N ATOM 109 CA VAL A 8 -15.832 -3.875 -11.979 1.00 63.04 C ATOM 110 C VAL A 8 -15.223 -5.218 -12.368 1.00 12.53 C ATOM 111 O VAL A 8 -14.438 -5.305 -13.313 1.00 12.10 O ATOM 112 CB VAL A 8 -17.363 -3.956 -12.128 1.00 63.23 C ATOM 113 CG1 VAL A 8 -18.020 -2.703 -11.571 1.00 42.25 C ATOM 114 CG2 VAL A 8 -17.745 -4.165 -13.586 1.00 34.34 C ATOM 0 H VAL A 8 -15.965 -2.281 -13.334 1.00 43.11 H new ATOM 0 HA VAL A 8 -15.587 -3.655 -10.940 1.00 63.04 H new ATOM 0 HB VAL A 8 -17.722 -4.811 -11.555 1.00 63.23 H new ATOM 0 HG11 VAL A 8 -19.101 -2.778 -11.685 1.00 42.25 H new ATOM 0 HG12 VAL A 8 -17.772 -2.601 -10.514 1.00 42.25 H new ATOM 0 HG13 VAL A 8 -17.658 -1.830 -12.114 1.00 42.25 H new ATOM 0 HG21 VAL A 8 -18.830 -4.220 -13.674 1.00 34.34 H new ATOM 0 HG22 VAL A 8 -17.375 -3.331 -14.182 1.00 34.34 H new ATOM 0 HG23 VAL A 8 -17.304 -5.094 -13.948 1.00 34.34 H new ATOM 124 N ARG A 9 -15.590 -6.262 -11.633 1.00 30.21 N ATOM 125 CA ARG A 9 -15.079 -7.601 -11.900 1.00 32.43 C ATOM 126 C ARG A 9 -16.199 -8.635 -11.827 1.00 74.31 C ATOM 127 O ARG A 9 -17.190 -8.442 -11.123 1.00 23.24 O ATOM 128 CB ARG A 9 -13.976 -7.959 -10.902 1.00 45.42 C ATOM 129 CG ARG A 9 -14.317 -7.605 -9.464 1.00 32.43 C ATOM 130 CD ARG A 9 -13.430 -8.353 -8.482 1.00 14.34 C ATOM 131 NE ARG A 9 -13.235 -7.605 -7.242 1.00 44.35 N ATOM 132 CZ ARG A 9 -12.484 -8.035 -6.234 1.00 52.42 C ATOM 133 NH1 ARG A 9 -11.862 -9.202 -6.318 1.00 62.01 N ATOM 134 NH2 ARG A 9 -12.355 -7.296 -5.139 1.00 33.41 N ATOM 0 H ARG A 9 -16.239 -6.207 -10.848 1.00 30.21 H new ATOM 0 HA ARG A 9 -14.664 -7.609 -12.908 1.00 32.43 H new ATOM 0 HB2 ARG A 9 -13.773 -9.028 -10.966 1.00 45.42 H new ATOM 0 HB3 ARG A 9 -13.059 -7.443 -11.187 1.00 45.42 H new ATOM 0 HG2 ARG A 9 -14.202 -6.531 -9.315 1.00 32.43 H new ATOM 0 HG3 ARG A 9 -15.362 -7.844 -9.267 1.00 32.43 H new ATOM 0 HD2 ARG A 9 -13.876 -9.321 -8.255 1.00 14.34 H new ATOM 0 HD3 ARG A 9 -12.462 -8.548 -8.944 1.00 14.34 H new ATOM 0 HE ARG A 9 -13.701 -6.703 -7.145 1.00 44.35 H new ATOM 0 HH11 ARG A 9 -11.959 -9.772 -7.158 1.00 62.01 H new ATOM 0 HH12 ARG A 9 -11.286 -9.530 -5.543 1.00 62.01 H new ATOM 0 HH21 ARG A 9 -12.833 -6.397 -5.071 1.00 33.41 H new ATOM 0 HH22 ARG A 9 -11.778 -7.627 -4.365 1.00 33.41 H new ATOM 148 N ALA A 10 -16.034 -9.732 -12.559 1.00 43.15 N ATOM 149 CA ALA A 10 -17.030 -10.797 -12.576 1.00 11.22 C ATOM 150 C ALA A 10 -16.596 -11.968 -11.702 1.00 61.51 C ATOM 151 O ALA A 10 -15.560 -12.588 -11.947 1.00 43.51 O ATOM 152 CB ALA A 10 -17.280 -11.263 -14.003 1.00 3.25 C ATOM 0 H ALA A 10 -15.220 -9.907 -13.148 1.00 43.15 H new ATOM 0 HA ALA A 10 -17.959 -10.399 -12.168 1.00 11.22 H new ATOM 0 HB1 ALA A 10 -18.026 -12.058 -14.001 1.00 3.25 H new ATOM 0 HB2 ALA A 10 -17.643 -10.427 -14.600 1.00 3.25 H new ATOM 0 HB3 ALA A 10 -16.351 -11.638 -14.431 1.00 3.25 H new ATOM 158 N ARG A 11 -17.394 -12.267 -10.682 1.00 24.13 N ATOM 159 CA ARG A 11 -17.090 -13.363 -9.769 1.00 62.44 C ATOM 160 C ARG A 11 -17.855 -14.624 -10.162 1.00 4.04 C ATOM 161 O ARG A 11 -19.052 -14.741 -9.900 1.00 33.30 O ATOM 162 CB ARG A 11 -17.436 -12.971 -8.332 1.00 45.42 C ATOM 163 CG ARG A 11 -16.778 -11.677 -7.880 1.00 11.22 C ATOM 164 CD ARG A 11 -16.858 -11.510 -6.370 1.00 11.11 C ATOM 165 NE ARG A 11 -16.179 -10.299 -5.917 1.00 75.13 N ATOM 166 CZ ARG A 11 -15.872 -10.062 -4.646 1.00 52.44 C ATOM 167 NH1 ARG A 11 -16.180 -10.946 -3.709 1.00 61.10 N ATOM 168 NH2 ARG A 11 -15.254 -8.935 -4.312 1.00 13.32 N ATOM 0 H ARG A 11 -18.256 -11.766 -10.467 1.00 24.13 H new ATOM 0 HA ARG A 11 -16.022 -13.570 -9.833 1.00 62.44 H new ATOM 0 HB2 ARG A 11 -18.518 -12.870 -8.242 1.00 45.42 H new ATOM 0 HB3 ARG A 11 -17.134 -13.776 -7.662 1.00 45.42 H new ATOM 0 HG2 ARG A 11 -15.734 -11.669 -8.193 1.00 11.22 H new ATOM 0 HG3 ARG A 11 -17.263 -10.831 -8.367 1.00 11.22 H new ATOM 0 HD2 ARG A 11 -17.904 -11.475 -6.064 1.00 11.11 H new ATOM 0 HD3 ARG A 11 -16.412 -12.379 -5.885 1.00 11.11 H new ATOM 0 HE ARG A 11 -15.927 -9.598 -6.613 1.00 75.13 H new ATOM 0 HH11 ARG A 11 -16.655 -11.813 -3.962 1.00 61.10 H new ATOM 0 HH12 ARG A 11 -15.942 -10.760 -2.735 1.00 61.10 H new ATOM 0 HH21 ARG A 11 -15.015 -8.252 -5.031 1.00 13.32 H new ATOM 0 HH22 ARG A 11 -15.018 -8.752 -3.337 1.00 13.32 H new ATOM 182 N ILE A 12 -17.155 -15.563 -10.792 1.00 52.23 N ATOM 183 CA ILE A 12 -17.769 -16.814 -11.219 1.00 52.02 C ATOM 184 C ILE A 12 -17.355 -17.967 -10.311 1.00 62.25 C ATOM 185 O ILE A 12 -16.172 -18.151 -10.023 1.00 54.20 O ATOM 186 CB ILE A 12 -17.391 -17.158 -12.672 1.00 21.10 C ATOM 187 CG1 ILE A 12 -17.770 -16.008 -13.607 1.00 12.43 C ATOM 188 CG2 ILE A 12 -18.074 -18.447 -13.105 1.00 73.11 C ATOM 189 CD1 ILE A 12 -17.151 -16.119 -14.982 1.00 62.33 C ATOM 0 H ILE A 12 -16.164 -15.481 -11.017 1.00 52.23 H new ATOM 0 HA ILE A 12 -18.848 -16.675 -11.156 1.00 52.02 H new ATOM 0 HB ILE A 12 -16.312 -17.305 -12.727 1.00 21.10 H new ATOM 0 HG12 ILE A 12 -18.855 -15.974 -13.707 1.00 12.43 H new ATOM 0 HG13 ILE A 12 -17.462 -15.066 -13.154 1.00 12.43 H new ATOM 0 HG21 ILE A 12 -17.798 -18.677 -14.134 1.00 73.11 H new ATOM 0 HG22 ILE A 12 -17.759 -19.262 -12.453 1.00 73.11 H new ATOM 0 HG23 ILE A 12 -19.155 -18.326 -13.038 1.00 73.11 H new ATOM 0 HD11 ILE A 12 -17.463 -15.270 -15.591 1.00 62.33 H new ATOM 0 HD12 ILE A 12 -16.065 -16.122 -14.893 1.00 62.33 H new ATOM 0 HD13 ILE A 12 -17.479 -17.045 -15.455 1.00 62.33 H new ATOM 201 N TYR A 13 -18.337 -18.742 -9.865 1.00 32.01 N ATOM 202 CA TYR A 13 -18.077 -19.878 -8.989 1.00 22.14 C ATOM 203 C TYR A 13 -19.115 -20.976 -9.196 1.00 65.34 C ATOM 204 O TYR A 13 -20.268 -20.702 -9.528 1.00 23.41 O ATOM 205 CB TYR A 13 -18.076 -19.431 -7.526 1.00 21.44 C ATOM 206 CG TYR A 13 -19.343 -18.720 -7.110 1.00 51.14 C ATOM 207 CD1 TYR A 13 -19.524 -17.368 -7.375 1.00 52.13 C ATOM 208 CD2 TYR A 13 -20.361 -19.399 -6.452 1.00 73.41 C ATOM 209 CE1 TYR A 13 -20.680 -16.713 -6.996 1.00 72.50 C ATOM 210 CE2 TYR A 13 -21.522 -18.754 -6.070 1.00 45.04 C ATOM 211 CZ TYR A 13 -21.676 -17.411 -6.345 1.00 53.25 C ATOM 212 OH TYR A 13 -22.830 -16.763 -5.967 1.00 11.14 O ATOM 0 H TYR A 13 -19.321 -18.604 -10.096 1.00 32.01 H new ATOM 0 HA TYR A 13 -17.095 -20.280 -9.240 1.00 22.14 H new ATOM 0 HB2 TYR A 13 -17.933 -20.303 -6.888 1.00 21.44 H new ATOM 0 HB3 TYR A 13 -17.226 -18.770 -7.357 1.00 21.44 H new ATOM 0 HD1 TYR A 13 -18.747 -16.819 -7.886 1.00 52.13 H new ATOM 0 HD2 TYR A 13 -20.243 -20.450 -6.235 1.00 73.41 H new ATOM 0 HE1 TYR A 13 -20.803 -15.661 -7.208 1.00 72.50 H new ATOM 0 HE2 TYR A 13 -22.303 -19.298 -5.560 1.00 45.04 H new ATOM 0 HH TYR A 13 -23.430 -17.397 -5.521 1.00 11.14 H new ATOM 222 N LYS A 14 -18.696 -22.222 -8.998 1.00 54.22 N ATOM 223 CA LYS A 14 -19.589 -23.364 -9.161 1.00 3.34 C ATOM 224 C LYS A 14 -19.928 -23.987 -7.810 1.00 43.52 C ATOM 225 O LYS A 14 -19.242 -24.887 -7.325 1.00 74.14 O ATOM 226 CB LYS A 14 -18.945 -24.413 -10.071 1.00 21.24 C ATOM 227 CG LYS A 14 -19.947 -25.183 -10.913 1.00 65.33 C ATOM 228 CD LYS A 14 -19.405 -26.543 -11.321 1.00 2.05 C ATOM 229 CE LYS A 14 -19.441 -27.527 -10.161 1.00 73.10 C ATOM 230 NZ LYS A 14 -20.738 -28.256 -10.092 1.00 52.34 N ATOM 0 H LYS A 14 -17.744 -22.466 -8.725 1.00 54.22 H new ATOM 0 HA LYS A 14 -20.512 -23.010 -9.620 1.00 3.34 H new ATOM 0 HB2 LYS A 14 -18.231 -23.920 -10.731 1.00 21.24 H new ATOM 0 HB3 LYS A 14 -18.381 -25.116 -9.459 1.00 21.24 H new ATOM 0 HG2 LYS A 14 -20.872 -25.313 -10.351 1.00 65.33 H new ATOM 0 HG3 LYS A 14 -20.194 -24.606 -11.804 1.00 65.33 H new ATOM 0 HD2 LYS A 14 -19.992 -26.936 -12.151 1.00 2.05 H new ATOM 0 HD3 LYS A 14 -18.380 -26.436 -11.677 1.00 2.05 H new ATOM 0 HE2 LYS A 14 -18.627 -28.244 -10.267 1.00 73.10 H new ATOM 0 HE3 LYS A 14 -19.275 -26.992 -9.226 1.00 73.10 H new ATOM 0 HZ1 LYS A 14 -20.723 -28.916 -9.289 1.00 52.34 H new ATOM 0 HZ2 LYS A 14 -21.513 -27.574 -9.965 1.00 52.34 H new ATOM 0 HZ3 LYS A 14 -20.885 -28.787 -10.974 1.00 52.34 H new ATOM 244 N PRO A 15 -21.011 -23.497 -7.189 1.00 14.21 N ATOM 245 CA PRO A 15 -21.467 -23.992 -5.885 1.00 65.34 C ATOM 246 C PRO A 15 -22.032 -25.406 -5.969 1.00 11.25 C ATOM 247 O PRO A 15 -22.450 -25.856 -7.035 1.00 22.33 O ATOM 248 CB PRO A 15 -22.564 -23.000 -5.493 1.00 71.12 C ATOM 249 CG PRO A 15 -23.062 -22.455 -6.788 1.00 31.11 C ATOM 250 CD PRO A 15 -21.874 -22.424 -7.709 1.00 53.31 C ATOM 0 HA PRO A 15 -20.652 -24.053 -5.164 1.00 65.34 H new ATOM 0 HB2 PRO A 15 -23.362 -23.492 -4.937 1.00 71.12 H new ATOM 0 HB3 PRO A 15 -22.172 -22.208 -4.855 1.00 71.12 H new ATOM 0 HG2 PRO A 15 -23.855 -23.081 -7.196 1.00 31.11 H new ATOM 0 HG3 PRO A 15 -23.480 -21.457 -6.656 1.00 31.11 H new ATOM 0 HD2 PRO A 15 -22.163 -22.607 -8.744 1.00 53.31 H new ATOM 0 HD3 PRO A 15 -21.372 -21.457 -7.684 1.00 53.31 H new ATOM 258 N ALA A 16 -22.042 -26.102 -4.837 1.00 21.42 N ATOM 259 CA ALA A 16 -22.558 -27.464 -4.782 1.00 31.13 C ATOM 260 C ALA A 16 -24.020 -27.515 -5.210 1.00 71.24 C ATOM 261 O ALA A 16 -24.737 -26.516 -5.129 1.00 32.52 O ATOM 262 CB ALA A 16 -22.397 -28.033 -3.379 1.00 44.32 C ATOM 0 H ALA A 16 -21.698 -25.745 -3.945 1.00 21.42 H new ATOM 0 HA ALA A 16 -21.981 -28.073 -5.478 1.00 31.13 H new ATOM 0 HB1 ALA A 16 -22.786 -29.051 -3.352 1.00 44.32 H new ATOM 0 HB2 ALA A 16 -21.341 -28.041 -3.109 1.00 44.32 H new ATOM 0 HB3 ALA A 16 -22.948 -27.415 -2.670 1.00 44.32 H new ATOM 268 N LYS A 17 -24.458 -28.683 -5.668 1.00 13.52 N ATOM 269 CA LYS A 17 -25.836 -28.865 -6.109 1.00 2.12 C ATOM 270 C LYS A 17 -26.749 -29.174 -4.927 1.00 52.24 C ATOM 271 O LYS A 17 -27.886 -28.706 -4.871 1.00 11.42 O ATOM 272 CB LYS A 17 -25.917 -29.993 -7.139 1.00 21.10 C ATOM 273 CG LYS A 17 -25.249 -29.660 -8.462 1.00 5.35 C ATOM 274 CD LYS A 17 -25.641 -30.644 -9.549 1.00 71.43 C ATOM 275 CE LYS A 17 -25.107 -30.217 -10.908 1.00 5.13 C ATOM 276 NZ LYS A 17 -23.644 -30.467 -11.032 1.00 61.42 N ATOM 0 H LYS A 17 -23.878 -29.519 -5.743 1.00 13.52 H new ATOM 0 HA LYS A 17 -26.171 -27.936 -6.570 1.00 2.12 H new ATOM 0 HB2 LYS A 17 -25.453 -30.887 -6.723 1.00 21.10 H new ATOM 0 HB3 LYS A 17 -26.965 -30.232 -7.321 1.00 21.10 H new ATOM 0 HG2 LYS A 17 -25.527 -28.651 -8.767 1.00 5.35 H new ATOM 0 HG3 LYS A 17 -24.166 -29.668 -8.336 1.00 5.35 H new ATOM 0 HD2 LYS A 17 -25.257 -31.634 -9.301 1.00 71.43 H new ATOM 0 HD3 LYS A 17 -26.727 -30.725 -9.593 1.00 71.43 H new ATOM 0 HE2 LYS A 17 -25.636 -30.758 -11.693 1.00 5.13 H new ATOM 0 HE3 LYS A 17 -25.309 -29.157 -11.061 1.00 5.13 H new ATOM 0 HZ1 LYS A 17 -23.318 -30.163 -11.972 1.00 61.42 H new ATOM 0 HZ2 LYS A 17 -23.137 -29.931 -10.299 1.00 61.42 H new ATOM 0 HZ3 LYS A 17 -23.454 -31.482 -10.912 1.00 61.42 H new ATOM 290 N SER A 18 -26.243 -29.964 -3.985 1.00 74.23 N ATOM 291 CA SER A 18 -27.017 -30.336 -2.805 1.00 25.54 C ATOM 292 C SER A 18 -26.100 -30.576 -1.610 1.00 3.41 C ATOM 293 O SER A 18 -25.046 -31.202 -1.735 1.00 35.34 O ATOM 294 CB SER A 18 -27.844 -31.592 -3.088 1.00 14.34 C ATOM 295 OG SER A 18 -28.911 -31.310 -3.977 1.00 24.42 O ATOM 0 H SER A 18 -25.303 -30.358 -4.015 1.00 74.23 H new ATOM 0 HA SER A 18 -27.690 -29.513 -2.566 1.00 25.54 H new ATOM 0 HB2 SER A 18 -27.204 -32.364 -3.516 1.00 14.34 H new ATOM 0 HB3 SER A 18 -28.240 -31.989 -2.153 1.00 14.34 H new ATOM 0 HG SER A 18 -28.838 -30.385 -4.293 1.00 24.42 H new ATOM 301 N THR A 19 -26.508 -30.072 -0.449 1.00 22.43 N ATOM 302 CA THR A 19 -25.724 -30.229 0.770 1.00 72.50 C ATOM 303 C THR A 19 -26.602 -30.675 1.934 1.00 55.23 C ATOM 304 O THR A 19 -26.465 -31.790 2.436 1.00 22.24 O ATOM 305 CB THR A 19 -25.011 -28.919 1.152 1.00 44.42 C ATOM 306 OG1 THR A 19 -25.906 -27.812 1.002 1.00 71.20 O ATOM 307 CG2 THR A 19 -23.778 -28.702 0.287 1.00 75.04 C ATOM 0 H THR A 19 -27.377 -29.552 -0.328 1.00 22.43 H new ATOM 0 HA THR A 19 -24.976 -30.995 0.568 1.00 72.50 H new ATOM 0 HB THR A 19 -24.697 -28.993 2.193 1.00 44.42 H new ATOM 0 HG1 THR A 19 -25.445 -26.983 1.249 1.00 71.20 H new ATOM 0 HG21 THR A 19 -23.291 -27.770 0.575 1.00 75.04 H new ATOM 0 HG22 THR A 19 -23.085 -29.532 0.426 1.00 75.04 H new ATOM 0 HG23 THR A 19 -24.074 -28.648 -0.761 1.00 75.04 H new ATOM 315 N MET A 20 -27.504 -29.796 2.359 1.00 74.13 N ATOM 316 CA MET A 20 -28.407 -30.101 3.464 1.00 64.51 C ATOM 317 C MET A 20 -29.338 -31.254 3.102 1.00 11.24 C ATOM 318 O MET A 20 -29.168 -32.374 3.584 1.00 11.40 O ATOM 319 CB MET A 20 -29.227 -28.864 3.836 1.00 61.42 C ATOM 320 CG MET A 20 -28.554 -27.978 4.871 1.00 34.35 C ATOM 321 SD MET A 20 -28.641 -28.666 6.536 1.00 52.04 S ATOM 322 CE MET A 20 -29.150 -27.225 7.471 1.00 73.30 C ATOM 0 H MET A 20 -27.629 -28.868 1.956 1.00 74.13 H new ATOM 0 HA MET A 20 -27.805 -30.400 4.322 1.00 64.51 H new ATOM 0 HB2 MET A 20 -29.415 -28.279 2.936 1.00 61.42 H new ATOM 0 HB3 MET A 20 -30.197 -29.182 4.218 1.00 61.42 H new ATOM 0 HG2 MET A 20 -27.509 -27.834 4.596 1.00 34.35 H new ATOM 0 HG3 MET A 20 -29.025 -26.995 4.863 1.00 34.35 H new ATOM 0 HE1 MET A 20 -29.248 -27.490 8.524 1.00 73.30 H new ATOM 0 HE2 MET A 20 -28.403 -26.439 7.363 1.00 73.30 H new ATOM 0 HE3 MET A 20 -30.109 -26.868 7.096 1.00 73.30 H new ATOM 332 N GLN A 21 -30.321 -30.971 2.254 1.00 4.04 N ATOM 333 CA GLN A 21 -31.279 -31.986 1.831 1.00 62.11 C ATOM 334 C GLN A 21 -31.477 -31.951 0.319 1.00 40.14 C ATOM 335 O GLN A 21 -30.914 -31.101 -0.371 1.00 55.24 O ATOM 336 CB GLN A 21 -32.619 -31.778 2.538 1.00 33.30 C ATOM 337 CG GLN A 21 -32.623 -32.245 3.985 1.00 24.44 C ATOM 338 CD GLN A 21 -34.020 -32.342 4.564 1.00 63.51 C ATOM 339 OE1 GLN A 21 -34.902 -32.976 3.984 1.00 61.11 O ATOM 340 NE2 GLN A 21 -34.230 -31.711 5.714 1.00 32.33 N ATOM 0 H GLN A 21 -30.475 -30.049 1.847 1.00 4.04 H new ATOM 0 HA GLN A 21 -30.880 -32.963 2.104 1.00 62.11 H new ATOM 0 HB2 GLN A 21 -32.877 -30.719 2.506 1.00 33.30 H new ATOM 0 HB3 GLN A 21 -33.396 -32.312 1.991 1.00 33.30 H new ATOM 0 HG2 GLN A 21 -32.139 -33.219 4.049 1.00 24.44 H new ATOM 0 HG3 GLN A 21 -32.032 -31.555 4.587 1.00 24.44 H new ATOM 0 HE21 GLN A 21 -33.470 -31.197 6.160 1.00 32.33 H new ATOM 0 HE22 GLN A 21 -35.151 -31.740 6.151 1.00 32.33 H new ATOM 349 N SER A 22 -32.280 -32.879 -0.190 1.00 35.01 N ATOM 350 CA SER A 22 -32.550 -32.957 -1.620 1.00 64.14 C ATOM 351 C SER A 22 -33.037 -31.614 -2.155 1.00 53.24 C ATOM 352 O SER A 22 -34.012 -31.051 -1.658 1.00 60.02 O ATOM 353 CB SER A 22 -33.592 -34.040 -1.907 1.00 2.03 C ATOM 354 OG SER A 22 -33.004 -35.330 -1.891 1.00 44.13 O ATOM 0 H SER A 22 -32.756 -33.588 0.368 1.00 35.01 H new ATOM 0 HA SER A 22 -31.620 -33.215 -2.126 1.00 64.14 H new ATOM 0 HB2 SER A 22 -34.387 -33.990 -1.163 1.00 2.03 H new ATOM 0 HB3 SER A 22 -34.052 -33.858 -2.878 1.00 2.03 H new ATOM 0 HG SER A 22 -33.690 -36.005 -2.075 1.00 44.13 H new ATOM 360 N GLY A 23 -32.349 -31.104 -3.172 1.00 62.35 N ATOM 361 CA GLY A 23 -32.725 -29.830 -3.759 1.00 33.05 C ATOM 362 C GLY A 23 -33.468 -29.993 -5.070 1.00 1.21 C ATOM 363 O GLY A 23 -33.353 -31.024 -5.734 1.00 4.40 O ATOM 0 H GLY A 23 -31.538 -31.550 -3.600 1.00 62.35 H new ATOM 0 HA2 GLY A 23 -33.351 -29.280 -3.056 1.00 33.05 H new ATOM 0 HA3 GLY A 23 -31.829 -29.231 -3.924 1.00 33.05 H new ATOM 367 N HIS A 24 -34.235 -28.973 -5.444 1.00 0.34 N ATOM 368 CA HIS A 24 -35.001 -29.008 -6.684 1.00 70.35 C ATOM 369 C HIS A 24 -35.094 -27.617 -7.304 1.00 73.22 C ATOM 370 O HIS A 24 -34.558 -26.649 -6.765 1.00 53.34 O ATOM 371 CB HIS A 24 -36.404 -29.558 -6.426 1.00 72.42 C ATOM 372 CG HIS A 24 -37.133 -28.850 -5.327 1.00 34.21 C ATOM 373 ND1 HIS A 24 -37.565 -27.545 -5.429 1.00 54.53 N ATOM 374 CD2 HIS A 24 -37.508 -29.274 -4.096 1.00 62.30 C ATOM 375 CE1 HIS A 24 -38.172 -27.195 -4.309 1.00 73.21 C ATOM 376 NE2 HIS A 24 -38.152 -28.227 -3.484 1.00 1.22 N ATOM 0 H HIS A 24 -34.342 -28.113 -4.906 1.00 0.34 H new ATOM 0 HA HIS A 24 -34.484 -29.665 -7.383 1.00 70.35 H new ATOM 0 HB2 HIS A 24 -36.988 -29.485 -7.344 1.00 72.42 H new ATOM 0 HB3 HIS A 24 -36.330 -30.617 -6.178 1.00 72.42 H new ATOM 0 HD2 HIS A 24 -37.333 -30.253 -3.675 1.00 62.30 H new ATOM 0 HE1 HIS A 24 -38.610 -26.230 -4.103 1.00 73.21 H new ATOM 0 HE2 HIS A 24 -38.550 -28.243 -2.545 1.00 1.22 H new ATOM 384 N SER A 25 -35.778 -27.526 -8.440 1.00 42.55 N ATOM 385 CA SER A 25 -35.937 -26.254 -9.136 1.00 44.33 C ATOM 386 C SER A 25 -34.581 -25.617 -9.422 1.00 25.12 C ATOM 387 O SER A 25 -34.433 -24.396 -9.381 1.00 0.55 O ATOM 388 CB SER A 25 -36.797 -25.298 -8.307 1.00 51.02 C ATOM 389 OG SER A 25 -38.176 -25.584 -8.466 1.00 62.44 O ATOM 0 H SER A 25 -36.231 -28.317 -8.898 1.00 42.55 H new ATOM 0 HA SER A 25 -36.435 -26.449 -10.086 1.00 44.33 H new ATOM 0 HB2 SER A 25 -36.525 -25.379 -7.255 1.00 51.02 H new ATOM 0 HB3 SER A 25 -36.598 -24.270 -8.610 1.00 51.02 H new ATOM 0 HG SER A 25 -38.704 -24.960 -7.925 1.00 62.44 H new ATOM 395 N LYS A 26 -33.590 -26.455 -9.711 1.00 60.35 N ATOM 396 CA LYS A 26 -32.244 -25.977 -10.006 1.00 73.13 C ATOM 397 C LYS A 26 -31.917 -26.148 -11.486 1.00 60.24 C ATOM 398 O LYS A 26 -31.509 -27.226 -11.920 1.00 65.23 O ATOM 399 CB LYS A 26 -31.217 -26.726 -9.155 1.00 32.54 C ATOM 400 CG LYS A 26 -29.933 -25.949 -8.926 1.00 54.50 C ATOM 401 CD LYS A 26 -28.927 -26.758 -8.124 1.00 51.11 C ATOM 402 CE LYS A 26 -29.081 -26.516 -6.630 1.00 3.12 C ATOM 403 NZ LYS A 26 -30.192 -27.320 -6.050 1.00 23.14 N ATOM 0 H LYS A 26 -33.694 -27.469 -9.747 1.00 60.35 H new ATOM 0 HA LYS A 26 -32.202 -24.915 -9.764 1.00 73.13 H new ATOM 0 HB2 LYS A 26 -31.663 -26.966 -8.190 1.00 32.54 H new ATOM 0 HB3 LYS A 26 -30.977 -27.672 -9.640 1.00 32.54 H new ATOM 0 HG2 LYS A 26 -29.497 -25.674 -9.886 1.00 54.50 H new ATOM 0 HG3 LYS A 26 -30.157 -25.021 -8.400 1.00 54.50 H new ATOM 0 HD2 LYS A 26 -29.059 -27.819 -8.337 1.00 51.11 H new ATOM 0 HD3 LYS A 26 -27.916 -26.494 -8.434 1.00 51.11 H new ATOM 0 HE2 LYS A 26 -28.149 -26.766 -6.124 1.00 3.12 H new ATOM 0 HE3 LYS A 26 -29.267 -25.457 -6.451 1.00 3.12 H new ATOM 0 HZ1 LYS A 26 -29.848 -27.837 -5.216 1.00 23.14 H new ATOM 0 HZ2 LYS A 26 -30.968 -26.688 -5.769 1.00 23.14 H new ATOM 0 HZ3 LYS A 26 -30.537 -27.998 -6.759 1.00 23.14 H new ATOM 417 N LEU A 27 -32.098 -25.080 -12.255 1.00 34.23 N ATOM 418 CA LEU A 27 -31.821 -25.112 -13.686 1.00 64.35 C ATOM 419 C LEU A 27 -30.400 -24.638 -13.976 1.00 71.24 C ATOM 420 O LEU A 27 -29.730 -25.159 -14.869 1.00 74.22 O ATOM 421 CB LEU A 27 -32.826 -24.240 -14.441 1.00 24.24 C ATOM 422 CG LEU A 27 -34.266 -24.752 -14.474 1.00 71.42 C ATOM 423 CD1 LEU A 27 -35.180 -23.732 -15.137 1.00 0.21 C ATOM 424 CD2 LEU A 27 -34.340 -26.088 -15.200 1.00 15.41 C ATOM 0 H LEU A 27 -32.436 -24.181 -11.911 1.00 34.23 H new ATOM 0 HA LEU A 27 -31.917 -26.143 -14.026 1.00 64.35 H new ATOM 0 HB2 LEU A 27 -32.825 -23.247 -13.992 1.00 24.24 H new ATOM 0 HB3 LEU A 27 -32.478 -24.126 -15.468 1.00 24.24 H new ATOM 0 HG LEU A 27 -34.603 -24.899 -13.448 1.00 71.42 H new ATOM 0 HD11 LEU A 27 -36.201 -24.114 -15.152 1.00 0.21 H new ATOM 0 HD12 LEU A 27 -35.150 -22.798 -14.576 1.00 0.21 H new ATOM 0 HD13 LEU A 27 -34.845 -23.553 -16.159 1.00 0.21 H new ATOM 0 HD21 LEU A 27 -35.372 -26.438 -15.214 1.00 15.41 H new ATOM 0 HD22 LEU A 27 -33.984 -25.966 -16.223 1.00 15.41 H new ATOM 0 HD23 LEU A 27 -33.717 -26.818 -14.683 1.00 15.41 H new ATOM 436 N LYS A 28 -29.946 -23.649 -13.215 1.00 64.12 N ATOM 437 CA LYS A 28 -28.604 -23.106 -13.387 1.00 43.13 C ATOM 438 C LYS A 28 -27.573 -23.958 -12.653 1.00 71.41 C ATOM 439 O LYS A 28 -27.906 -24.676 -11.712 1.00 13.53 O ATOM 440 CB LYS A 28 -28.545 -21.664 -12.877 1.00 11.35 C ATOM 441 CG LYS A 28 -29.005 -21.509 -11.438 1.00 34.03 C ATOM 442 CD LYS A 28 -30.427 -20.980 -11.361 1.00 52.31 C ATOM 443 CE LYS A 28 -30.606 -20.032 -10.185 1.00 54.23 C ATOM 444 NZ LYS A 28 -31.953 -19.398 -10.183 1.00 54.31 N ATOM 0 H LYS A 28 -30.488 -23.207 -12.473 1.00 64.12 H new ATOM 0 HA LYS A 28 -28.369 -23.119 -14.451 1.00 43.13 H new ATOM 0 HB2 LYS A 28 -27.522 -21.298 -12.964 1.00 11.35 H new ATOM 0 HB3 LYS A 28 -29.164 -21.035 -13.517 1.00 11.35 H new ATOM 0 HG2 LYS A 28 -28.946 -22.472 -10.931 1.00 34.03 H new ATOM 0 HG3 LYS A 28 -28.334 -20.830 -10.912 1.00 34.03 H new ATOM 0 HD2 LYS A 28 -30.675 -20.462 -12.288 1.00 52.31 H new ATOM 0 HD3 LYS A 28 -31.122 -21.814 -11.266 1.00 52.31 H new ATOM 0 HE2 LYS A 28 -30.460 -20.578 -9.253 1.00 54.23 H new ATOM 0 HE3 LYS A 28 -29.840 -19.257 -10.223 1.00 54.23 H new ATOM 0 HZ1 LYS A 28 -32.035 -18.759 -9.366 1.00 54.31 H new ATOM 0 HZ2 LYS A 28 -32.083 -18.856 -11.061 1.00 54.31 H new ATOM 0 HZ3 LYS A 28 -32.684 -20.135 -10.121 1.00 54.31 H new ATOM 458 N ALA A 29 -26.322 -23.872 -13.091 1.00 23.15 N ATOM 459 CA ALA A 29 -25.242 -24.633 -12.472 1.00 74.45 C ATOM 460 C ALA A 29 -24.115 -23.715 -12.015 1.00 61.22 C ATOM 461 O ALA A 29 -23.507 -23.936 -10.967 1.00 74.34 O ATOM 462 CB ALA A 29 -24.713 -25.680 -13.442 1.00 11.23 C ATOM 0 H ALA A 29 -26.030 -23.284 -13.872 1.00 23.15 H new ATOM 0 HA ALA A 29 -25.643 -25.137 -11.592 1.00 74.45 H new ATOM 0 HB1 ALA A 29 -23.908 -26.241 -12.968 1.00 11.23 H new ATOM 0 HB2 ALA A 29 -25.518 -26.362 -13.716 1.00 11.23 H new ATOM 0 HB3 ALA A 29 -24.334 -25.188 -14.338 1.00 11.23 H new ATOM 468 N TRP A 30 -23.840 -22.685 -12.807 1.00 44.52 N ATOM 469 CA TRP A 30 -22.783 -21.733 -12.482 1.00 65.30 C ATOM 470 C TRP A 30 -23.368 -20.443 -11.918 1.00 4.25 C ATOM 471 O TRP A 30 -24.460 -20.024 -12.300 1.00 10.12 O ATOM 472 CB TRP A 30 -21.945 -21.426 -13.725 1.00 63.40 C ATOM 473 CG TRP A 30 -21.006 -22.534 -14.096 1.00 12.12 C ATOM 474 CD1 TRP A 30 -21.283 -23.615 -14.883 1.00 60.33 C ATOM 475 CD2 TRP A 30 -19.639 -22.669 -13.693 1.00 10.22 C ATOM 476 NE1 TRP A 30 -20.171 -24.414 -14.993 1.00 63.21 N ATOM 477 CE2 TRP A 30 -19.148 -23.855 -14.273 1.00 41.13 C ATOM 478 CE3 TRP A 30 -18.780 -21.902 -12.900 1.00 32.12 C ATOM 479 CZ2 TRP A 30 -17.839 -24.290 -14.084 1.00 33.15 C ATOM 480 CZ3 TRP A 30 -17.481 -22.336 -12.712 1.00 74.10 C ATOM 481 CH2 TRP A 30 -17.021 -23.520 -13.303 1.00 13.25 C ATOM 0 H TRP A 30 -24.333 -22.487 -13.678 1.00 44.52 H new ATOM 0 HA TRP A 30 -22.143 -22.183 -11.723 1.00 65.30 H new ATOM 0 HB2 TRP A 30 -22.612 -21.228 -14.564 1.00 63.40 H new ATOM 0 HB3 TRP A 30 -21.371 -20.516 -13.552 1.00 63.40 H new ATOM 0 HD1 TRP A 30 -22.236 -23.813 -15.350 1.00 60.33 H new ATOM 0 HE1 TRP A 30 -20.116 -25.283 -15.525 1.00 63.21 H new ATOM 0 HE3 TRP A 30 -19.125 -20.987 -12.442 1.00 32.12 H new ATOM 0 HZ2 TRP A 30 -17.482 -25.203 -14.538 1.00 33.15 H new ATOM 0 HZ3 TRP A 30 -16.810 -21.753 -12.099 1.00 74.10 H new ATOM 0 HH2 TRP A 30 -16.000 -23.831 -13.139 1.00 13.25 H new ATOM 492 N LYS A 31 -22.633 -19.816 -11.005 1.00 41.53 N ATOM 493 CA LYS A 31 -23.077 -18.572 -10.389 1.00 0.41 C ATOM 494 C LYS A 31 -22.148 -17.419 -10.756 1.00 4.13 C ATOM 495 O LYS A 31 -20.924 -17.563 -10.731 1.00 64.43 O ATOM 496 CB LYS A 31 -23.139 -18.726 -8.867 1.00 25.53 C ATOM 497 CG LYS A 31 -24.321 -19.550 -8.386 1.00 44.14 C ATOM 498 CD LYS A 31 -25.636 -18.826 -8.621 1.00 62.10 C ATOM 499 CE LYS A 31 -26.767 -19.453 -7.820 1.00 60.12 C ATOM 500 NZ LYS A 31 -27.077 -20.833 -8.285 1.00 23.53 N ATOM 0 H LYS A 31 -21.727 -20.150 -10.676 1.00 41.53 H new ATOM 0 HA LYS A 31 -24.074 -18.346 -10.767 1.00 0.41 H new ATOM 0 HB2 LYS A 31 -22.217 -19.192 -8.520 1.00 25.53 H new ATOM 0 HB3 LYS A 31 -23.187 -17.737 -8.412 1.00 25.53 H new ATOM 0 HG2 LYS A 31 -24.334 -20.508 -8.906 1.00 44.14 H new ATOM 0 HG3 LYS A 31 -24.208 -19.765 -7.324 1.00 44.14 H new ATOM 0 HD2 LYS A 31 -25.530 -17.777 -8.344 1.00 62.10 H new ATOM 0 HD3 LYS A 31 -25.882 -18.852 -9.682 1.00 62.10 H new ATOM 0 HE2 LYS A 31 -26.494 -19.478 -6.765 1.00 60.12 H new ATOM 0 HE3 LYS A 31 -27.659 -18.832 -7.904 1.00 60.12 H new ATOM 0 HZ1 LYS A 31 -28.076 -21.048 -8.093 1.00 23.53 H new ATOM 0 HZ2 LYS A 31 -26.898 -20.903 -9.307 1.00 23.53 H new ATOM 0 HZ3 LYS A 31 -26.474 -21.513 -7.780 1.00 23.53 H new ATOM 514 N LEU A 32 -22.733 -16.276 -11.093 1.00 74.02 N ATOM 515 CA LEU A 32 -21.958 -15.098 -11.464 1.00 24.43 C ATOM 516 C LEU A 32 -22.352 -13.896 -10.612 1.00 0.14 C ATOM 517 O LEU A 32 -23.530 -13.559 -10.505 1.00 34.22 O ATOM 518 CB LEU A 32 -22.159 -14.775 -12.946 1.00 33.33 C ATOM 519 CG LEU A 32 -21.385 -13.571 -13.482 1.00 13.51 C ATOM 520 CD1 LEU A 32 -22.130 -12.280 -13.178 1.00 61.10 C ATOM 521 CD2 LEU A 32 -19.984 -13.531 -12.891 1.00 23.42 C ATOM 0 H LEU A 32 -23.744 -16.140 -11.117 1.00 74.02 H new ATOM 0 HA LEU A 32 -20.905 -15.317 -11.286 1.00 24.43 H new ATOM 0 HB2 LEU A 32 -21.877 -15.652 -13.530 1.00 33.33 H new ATOM 0 HB3 LEU A 32 -23.222 -14.605 -13.119 1.00 33.33 H new ATOM 0 HG LEU A 32 -21.298 -13.671 -14.564 1.00 13.51 H new ATOM 0 HD11 LEU A 32 -21.564 -11.433 -13.567 1.00 61.10 H new ATOM 0 HD12 LEU A 32 -23.112 -12.307 -13.649 1.00 61.10 H new ATOM 0 HD13 LEU A 32 -22.248 -12.173 -12.100 1.00 61.10 H new ATOM 0 HD21 LEU A 32 -19.448 -12.667 -13.284 1.00 23.42 H new ATOM 0 HD22 LEU A 32 -20.049 -13.455 -11.806 1.00 23.42 H new ATOM 0 HD23 LEU A 32 -19.450 -14.442 -13.159 1.00 23.42 H new ATOM 533 N GLU A 33 -21.356 -13.253 -10.009 1.00 0.23 N ATOM 534 CA GLU A 33 -21.600 -12.088 -9.167 1.00 50.52 C ATOM 535 C GLU A 33 -20.649 -10.949 -9.526 1.00 11.21 C ATOM 536 O GLU A 33 -19.468 -10.977 -9.174 1.00 73.52 O ATOM 537 CB GLU A 33 -21.440 -12.455 -7.690 1.00 2.20 C ATOM 538 CG GLU A 33 -21.461 -11.254 -6.759 1.00 64.42 C ATOM 539 CD GLU A 33 -22.759 -10.475 -6.842 1.00 1.22 C ATOM 540 OE1 GLU A 33 -23.029 -9.885 -7.909 1.00 51.21 O ATOM 541 OE2 GLU A 33 -23.504 -10.454 -5.840 1.00 3.12 O ATOM 0 H GLU A 33 -20.374 -13.519 -10.088 1.00 0.23 H new ATOM 0 HA GLU A 33 -22.623 -11.753 -9.341 1.00 50.52 H new ATOM 0 HB2 GLU A 33 -22.240 -13.139 -7.405 1.00 2.20 H new ATOM 0 HB3 GLU A 33 -20.500 -12.991 -7.557 1.00 2.20 H new ATOM 0 HG2 GLU A 33 -21.309 -11.591 -5.734 1.00 64.42 H new ATOM 0 HG3 GLU A 33 -20.629 -10.594 -7.004 1.00 64.42 H new ATOM 548 N PHE A 34 -21.170 -9.949 -10.228 1.00 73.12 N ATOM 549 CA PHE A 34 -20.368 -8.801 -10.636 1.00 14.23 C ATOM 550 C PHE A 34 -20.323 -7.749 -9.532 1.00 32.42 C ATOM 551 O PHE A 34 -21.332 -7.470 -8.885 1.00 30.22 O ATOM 552 CB PHE A 34 -20.934 -8.187 -11.918 1.00 34.13 C ATOM 553 CG PHE A 34 -22.366 -7.752 -11.794 1.00 35.41 C ATOM 554 CD1 PHE A 34 -22.684 -6.513 -11.260 1.00 62.32 C ATOM 555 CD2 PHE A 34 -23.395 -8.582 -12.210 1.00 42.43 C ATOM 556 CE1 PHE A 34 -24.001 -6.111 -11.144 1.00 33.15 C ATOM 557 CE2 PHE A 34 -24.714 -8.185 -12.097 1.00 1.41 C ATOM 558 CZ PHE A 34 -25.018 -6.948 -11.563 1.00 44.43 C ATOM 0 H PHE A 34 -22.145 -9.910 -10.527 1.00 73.12 H new ATOM 0 HA PHE A 34 -19.352 -9.148 -10.825 1.00 14.23 H new ATOM 0 HB2 PHE A 34 -20.325 -7.328 -12.199 1.00 34.13 H new ATOM 0 HB3 PHE A 34 -20.852 -8.914 -12.726 1.00 34.13 H new ATOM 0 HD1 PHE A 34 -21.894 -5.855 -10.931 1.00 62.32 H new ATOM 0 HD2 PHE A 34 -23.163 -9.551 -12.628 1.00 42.43 H new ATOM 0 HE1 PHE A 34 -24.236 -5.143 -10.726 1.00 33.15 H new ATOM 0 HE2 PHE A 34 -25.506 -8.841 -12.426 1.00 1.41 H new ATOM 0 HZ PHE A 34 -26.048 -6.636 -11.473 1.00 44.43 H new ATOM 568 N GLU A 35 -19.145 -7.169 -9.322 1.00 64.53 N ATOM 569 CA GLU A 35 -18.967 -6.149 -8.295 1.00 72.42 C ATOM 570 C GLU A 35 -19.724 -4.875 -8.659 1.00 2.23 C ATOM 571 O GLU A 35 -20.072 -4.638 -9.816 1.00 51.44 O ATOM 572 CB GLU A 35 -17.482 -5.837 -8.107 1.00 32.12 C ATOM 573 CG GLU A 35 -16.790 -6.753 -7.111 1.00 10.14 C ATOM 574 CD GLU A 35 -17.418 -6.696 -5.732 1.00 2.44 C ATOM 575 OE1 GLU A 35 -18.382 -7.451 -5.488 1.00 61.21 O ATOM 576 OE2 GLU A 35 -16.946 -5.897 -4.897 1.00 0.52 O ATOM 0 H GLU A 35 -18.300 -7.388 -9.849 1.00 64.53 H new ATOM 0 HA GLU A 35 -19.370 -6.537 -7.359 1.00 72.42 H new ATOM 0 HB2 GLU A 35 -16.978 -5.915 -9.070 1.00 32.12 H new ATOM 0 HB3 GLU A 35 -17.375 -4.805 -7.774 1.00 32.12 H new ATOM 0 HG2 GLU A 35 -16.826 -7.778 -7.480 1.00 10.14 H new ATOM 0 HG3 GLU A 35 -15.738 -6.477 -7.039 1.00 10.14 H new ATOM 583 N PRO A 36 -19.985 -4.034 -7.647 1.00 70.41 N ATOM 584 CA PRO A 36 -20.704 -2.770 -7.834 1.00 5.33 C ATOM 585 C PRO A 36 -19.878 -1.743 -8.604 1.00 33.24 C ATOM 586 O PRO A 36 -18.651 -1.829 -8.651 1.00 62.34 O ATOM 587 CB PRO A 36 -20.954 -2.289 -6.402 1.00 33.54 C ATOM 588 CG PRO A 36 -19.874 -2.924 -5.595 1.00 54.43 C ATOM 589 CD PRO A 36 -19.600 -4.253 -6.243 1.00 44.41 C ATOM 0 HA PRO A 36 -21.614 -2.901 -8.419 1.00 5.33 H new ATOM 0 HB2 PRO A 36 -20.910 -1.202 -6.336 1.00 33.54 H new ATOM 0 HB3 PRO A 36 -21.941 -2.590 -6.050 1.00 33.54 H new ATOM 0 HG2 PRO A 36 -18.978 -2.303 -5.584 1.00 54.43 H new ATOM 0 HG3 PRO A 36 -20.185 -3.052 -4.558 1.00 54.43 H new ATOM 0 HD2 PRO A 36 -18.551 -4.535 -6.153 1.00 44.41 H new ATOM 0 HD3 PRO A 36 -20.185 -5.051 -5.786 1.00 44.41 H new ATOM 597 N SER A 37 -20.560 -0.773 -9.203 1.00 73.33 N ATOM 598 CA SER A 37 -19.891 0.269 -9.974 1.00 23.22 C ATOM 599 C SER A 37 -20.178 1.648 -9.388 1.00 74.23 C ATOM 600 O SER A 37 -21.133 1.825 -8.631 1.00 53.54 O ATOM 601 CB SER A 37 -20.338 0.219 -11.435 1.00 62.52 C ATOM 602 OG SER A 37 -21.752 0.233 -11.537 1.00 51.11 O ATOM 0 H SER A 37 -21.576 -0.686 -9.170 1.00 73.33 H new ATOM 0 HA SER A 37 -18.817 0.090 -9.925 1.00 23.22 H new ATOM 0 HB2 SER A 37 -19.923 1.070 -11.975 1.00 62.52 H new ATOM 0 HB3 SER A 37 -19.945 -0.681 -11.908 1.00 62.52 H new ATOM 0 HG SER A 37 -22.012 0.202 -12.481 1.00 51.11 H new ATOM 608 N CYS A 38 -19.347 2.619 -9.744 1.00 4.42 N ATOM 609 CA CYS A 38 -19.510 3.983 -9.254 1.00 50.33 C ATOM 610 C CYS A 38 -19.834 4.938 -10.399 1.00 14.23 C ATOM 611 O CYS A 38 -19.367 4.758 -11.523 1.00 65.25 O ATOM 612 CB CYS A 38 -18.242 4.445 -8.534 1.00 63.14 C ATOM 613 SG CYS A 38 -17.617 3.267 -7.312 1.00 62.10 S ATOM 0 H CYS A 38 -18.553 2.488 -10.370 1.00 4.42 H new ATOM 0 HA CYS A 38 -20.342 3.991 -8.550 1.00 50.33 H new ATOM 0 HB2 CYS A 38 -17.464 4.631 -9.274 1.00 63.14 H new ATOM 0 HB3 CYS A 38 -18.444 5.394 -8.038 1.00 63.14 H new ATOM 0 HG CYS A 38 -16.542 3.745 -6.758 1.00 62.10 H new ATOM 619 N THR A 39 -20.641 5.953 -10.106 1.00 1.50 N ATOM 620 CA THR A 39 -21.032 6.934 -11.110 1.00 65.10 C ATOM 621 C THR A 39 -21.539 6.253 -12.376 1.00 24.41 C ATOM 622 O THR A 39 -21.298 6.726 -13.485 1.00 63.14 O ATOM 623 CB THR A 39 -19.857 7.862 -11.477 1.00 34.45 C ATOM 624 OG1 THR A 39 -18.936 7.172 -12.328 1.00 1.11 O ATOM 625 CG2 THR A 39 -19.137 8.342 -10.226 1.00 14.34 C ATOM 0 H THR A 39 -21.037 6.117 -9.180 1.00 1.50 H new ATOM 0 HA THR A 39 -21.834 7.529 -10.674 1.00 65.10 H new ATOM 0 HB THR A 39 -20.257 8.729 -12.003 1.00 34.45 H new ATOM 0 HG1 THR A 39 -18.941 6.217 -12.109 1.00 1.11 H new ATOM 0 HG21 THR A 39 -18.312 8.995 -10.509 1.00 14.34 H new ATOM 0 HG22 THR A 39 -19.834 8.891 -9.593 1.00 14.34 H new ATOM 0 HG23 THR A 39 -18.749 7.484 -9.678 1.00 14.34 H new ATOM 633 N GLN A 40 -22.243 5.138 -12.201 1.00 55.22 N ATOM 634 CA GLN A 40 -22.785 4.392 -13.331 1.00 2.40 C ATOM 635 C GLN A 40 -24.149 3.802 -12.990 1.00 31.25 C ATOM 636 O GLN A 40 -24.403 3.421 -11.846 1.00 61.13 O ATOM 637 CB GLN A 40 -21.821 3.278 -13.742 1.00 20.32 C ATOM 638 CG GLN A 40 -22.216 2.579 -15.033 1.00 25.12 C ATOM 639 CD GLN A 40 -21.033 1.935 -15.732 1.00 55.31 C ATOM 640 OE1 GLN A 40 -19.896 2.385 -15.595 1.00 0.10 O ATOM 641 NE2 GLN A 40 -21.298 0.875 -16.486 1.00 23.03 N ATOM 0 H GLN A 40 -22.451 4.732 -11.289 1.00 55.22 H new ATOM 0 HA GLN A 40 -22.908 5.082 -14.165 1.00 2.40 H new ATOM 0 HB2 GLN A 40 -20.821 3.697 -13.857 1.00 20.32 H new ATOM 0 HB3 GLN A 40 -21.768 2.541 -12.941 1.00 20.32 H new ATOM 0 HG2 GLN A 40 -22.964 1.817 -14.815 1.00 25.12 H new ATOM 0 HG3 GLN A 40 -22.682 3.300 -15.705 1.00 25.12 H new ATOM 0 HE21 GLN A 40 -22.256 0.536 -16.571 1.00 23.03 H new ATOM 0 HE22 GLN A 40 -20.543 0.399 -16.980 1.00 23.03 H new ATOM 650 N TYR A 41 -25.022 3.728 -13.987 1.00 75.23 N ATOM 651 CA TYR A 41 -26.362 3.186 -13.792 1.00 45.42 C ATOM 652 C TYR A 41 -26.319 1.669 -13.640 1.00 2.20 C ATOM 653 O TYR A 41 -25.284 1.039 -13.862 1.00 61.10 O ATOM 654 CB TYR A 41 -27.265 3.567 -14.966 1.00 72.11 C ATOM 655 CG TYR A 41 -28.727 3.681 -14.594 1.00 24.12 C ATOM 656 CD1 TYR A 41 -29.150 4.593 -13.635 1.00 23.31 C ATOM 657 CD2 TYR A 41 -29.683 2.877 -15.202 1.00 4.23 C ATOM 658 CE1 TYR A 41 -30.484 4.701 -13.292 1.00 25.24 C ATOM 659 CE2 TYR A 41 -31.019 2.979 -14.866 1.00 13.32 C ATOM 660 CZ TYR A 41 -31.414 3.891 -13.910 1.00 52.54 C ATOM 661 OH TYR A 41 -32.744 3.996 -13.571 1.00 32.11 O ATOM 0 H TYR A 41 -24.827 4.036 -14.939 1.00 75.23 H new ATOM 0 HA TYR A 41 -26.769 3.613 -12.876 1.00 45.42 H new ATOM 0 HB2 TYR A 41 -26.929 4.518 -15.378 1.00 72.11 H new ATOM 0 HB3 TYR A 41 -27.156 2.822 -15.754 1.00 72.11 H new ATOM 0 HD1 TYR A 41 -28.424 5.228 -13.150 1.00 23.31 H new ATOM 0 HD2 TYR A 41 -29.377 2.160 -15.950 1.00 4.23 H new ATOM 0 HE1 TYR A 41 -30.797 5.415 -12.545 1.00 25.24 H new ATOM 0 HE2 TYR A 41 -31.750 2.348 -15.349 1.00 13.32 H new ATOM 0 HH TYR A 41 -33.267 3.357 -14.098 1.00 32.11 H new ATOM 671 N THR A 42 -27.452 1.086 -13.259 1.00 24.40 N ATOM 672 CA THR A 42 -27.545 -0.356 -13.077 1.00 31.55 C ATOM 673 C THR A 42 -28.119 -1.032 -14.318 1.00 0.14 C ATOM 674 O THR A 42 -28.474 -2.209 -14.286 1.00 35.41 O ATOM 675 CB THR A 42 -28.420 -0.714 -11.861 1.00 33.11 C ATOM 676 OG1 THR A 42 -29.805 -0.548 -12.188 1.00 20.43 O ATOM 677 CG2 THR A 42 -28.069 0.160 -10.666 1.00 61.23 C ATOM 0 H THR A 42 -28.318 1.592 -13.071 1.00 24.40 H new ATOM 0 HA THR A 42 -26.531 -0.718 -12.905 1.00 31.55 H new ATOM 0 HB THR A 42 -28.231 -1.755 -11.599 1.00 33.11 H new ATOM 0 HG1 THR A 42 -30.328 -0.463 -11.364 1.00 20.43 H new ATOM 0 HG21 THR A 42 -28.700 -0.111 -9.819 1.00 61.23 H new ATOM 0 HG22 THR A 42 -27.022 0.011 -10.401 1.00 61.23 H new ATOM 0 HG23 THR A 42 -28.233 1.207 -10.920 1.00 61.23 H new ATOM 685 N GLU A 43 -28.206 -0.278 -15.410 1.00 14.14 N ATOM 686 CA GLU A 43 -28.737 -0.806 -16.661 1.00 55.50 C ATOM 687 C GLU A 43 -28.664 0.242 -17.767 1.00 62.53 C ATOM 688 O GLU A 43 -29.676 0.784 -18.212 1.00 61.41 O ATOM 689 CB GLU A 43 -30.185 -1.264 -16.473 1.00 11.22 C ATOM 690 CG GLU A 43 -31.056 -0.249 -15.754 1.00 15.10 C ATOM 691 CD GLU A 43 -32.458 -0.764 -15.491 1.00 73.40 C ATOM 692 OE1 GLU A 43 -32.774 -1.882 -15.950 1.00 41.11 O ATOM 693 OE2 GLU A 43 -33.239 -0.051 -14.826 1.00 62.32 O ATOM 0 H GLU A 43 -27.916 0.699 -15.453 1.00 14.14 H new ATOM 0 HA GLU A 43 -28.128 -1.661 -16.953 1.00 55.50 H new ATOM 0 HB2 GLU A 43 -30.620 -1.476 -17.450 1.00 11.22 H new ATOM 0 HB3 GLU A 43 -30.192 -2.198 -15.912 1.00 11.22 H new ATOM 0 HG2 GLU A 43 -30.588 0.019 -14.807 1.00 15.10 H new ATOM 0 HG3 GLU A 43 -31.114 0.662 -16.350 1.00 15.10 H new ATOM 700 N PRO A 44 -27.437 0.535 -18.223 1.00 2.21 N ATOM 701 CA PRO A 44 -27.201 1.519 -19.283 1.00 44.33 C ATOM 702 C PRO A 44 -27.697 1.038 -20.643 1.00 52.11 C ATOM 703 O PRO A 44 -27.900 1.835 -21.559 1.00 64.22 O ATOM 704 CB PRO A 44 -25.678 1.671 -19.294 1.00 42.11 C ATOM 705 CG PRO A 44 -25.165 0.385 -18.745 1.00 14.12 C ATOM 706 CD PRO A 44 -26.186 -0.072 -17.739 1.00 31.31 C ATOM 0 HA PRO A 44 -27.735 2.451 -19.099 1.00 44.33 H new ATOM 0 HB2 PRO A 44 -25.305 1.848 -20.303 1.00 42.11 H new ATOM 0 HB3 PRO A 44 -25.360 2.517 -18.684 1.00 42.11 H new ATOM 0 HG2 PRO A 44 -25.038 -0.354 -19.536 1.00 14.12 H new ATOM 0 HG3 PRO A 44 -24.190 0.522 -18.277 1.00 14.12 H new ATOM 0 HD2 PRO A 44 -26.255 -1.159 -17.702 1.00 31.31 H new ATOM 0 HD3 PRO A 44 -25.938 0.266 -16.733 1.00 31.31 H new ATOM 714 N LEU A 45 -27.892 -0.271 -20.766 1.00 53.14 N ATOM 715 CA LEU A 45 -28.366 -0.858 -22.015 1.00 21.04 C ATOM 716 C LEU A 45 -29.208 -2.102 -21.746 1.00 22.03 C ATOM 717 O LEU A 45 -28.839 -2.948 -20.932 1.00 11.11 O ATOM 718 CB LEU A 45 -27.182 -1.215 -22.915 1.00 54.01 C ATOM 719 CG LEU A 45 -27.517 -1.995 -24.187 1.00 72.21 C ATOM 720 CD1 LEU A 45 -28.268 -1.112 -25.172 1.00 70.02 C ATOM 721 CD2 LEU A 45 -26.250 -2.548 -24.822 1.00 72.51 C ATOM 0 H LEU A 45 -27.730 -0.945 -20.018 1.00 53.14 H new ATOM 0 HA LEU A 45 -28.990 -0.121 -22.521 1.00 21.04 H new ATOM 0 HB2 LEU A 45 -26.678 -0.292 -23.201 1.00 54.01 H new ATOM 0 HB3 LEU A 45 -26.471 -1.799 -22.331 1.00 54.01 H new ATOM 0 HG LEU A 45 -28.160 -2.833 -23.918 1.00 72.21 H new ATOM 0 HD11 LEU A 45 -28.498 -1.684 -26.071 1.00 70.02 H new ATOM 0 HD12 LEU A 45 -29.195 -0.765 -24.716 1.00 70.02 H new ATOM 0 HD13 LEU A 45 -27.650 -0.254 -25.436 1.00 70.02 H new ATOM 0 HD21 LEU A 45 -26.507 -3.100 -25.726 1.00 72.51 H new ATOM 0 HD22 LEU A 45 -25.582 -1.725 -25.077 1.00 72.51 H new ATOM 0 HD23 LEU A 45 -25.752 -3.215 -24.119 1.00 72.51 H new ATOM 733 N MET A 46 -30.337 -2.206 -22.436 1.00 70.25 N ATOM 734 CA MET A 46 -31.230 -3.348 -22.274 1.00 25.23 C ATOM 735 C MET A 46 -31.069 -4.332 -23.430 1.00 31.21 C ATOM 736 O MET A 46 -31.672 -4.164 -24.488 1.00 55.02 O ATOM 737 CB MET A 46 -32.683 -2.880 -22.187 1.00 52.33 C ATOM 738 CG MET A 46 -33.046 -2.273 -20.842 1.00 13.12 C ATOM 739 SD MET A 46 -34.750 -1.687 -20.780 1.00 73.42 S ATOM 740 CE MET A 46 -35.423 -2.737 -19.493 1.00 45.31 C ATOM 0 H MET A 46 -30.657 -1.514 -23.113 1.00 70.25 H new ATOM 0 HA MET A 46 -30.964 -3.856 -21.347 1.00 25.23 H new ATOM 0 HB2 MET A 46 -32.867 -2.144 -22.970 1.00 52.33 H new ATOM 0 HB3 MET A 46 -33.341 -3.726 -22.384 1.00 52.33 H new ATOM 0 HG2 MET A 46 -32.893 -3.016 -20.059 1.00 13.12 H new ATOM 0 HG3 MET A 46 -32.373 -1.443 -20.629 1.00 13.12 H new ATOM 0 HE1 MET A 46 -36.474 -2.494 -19.338 1.00 45.31 H new ATOM 0 HE2 MET A 46 -35.332 -3.782 -19.791 1.00 45.31 H new ATOM 0 HE3 MET A 46 -34.873 -2.575 -18.566 1.00 45.31 H new ATOM 750 N ASN A 47 -30.251 -5.358 -23.218 1.00 20.11 N ATOM 751 CA ASN A 47 -30.010 -6.367 -24.243 1.00 14.21 C ATOM 752 C ASN A 47 -30.689 -7.684 -23.878 1.00 60.12 C ATOM 753 O ASN A 47 -31.169 -8.409 -24.750 1.00 52.24 O ATOM 754 CB ASN A 47 -28.508 -6.589 -24.427 1.00 60.50 C ATOM 755 CG ASN A 47 -28.176 -7.211 -25.771 1.00 12.21 C ATOM 756 OD1 ASN A 47 -28.721 -6.815 -26.802 1.00 31.22 O ATOM 757 ND2 ASN A 47 -27.278 -8.188 -25.764 1.00 32.51 N ATOM 0 H ASN A 47 -29.744 -5.512 -22.346 1.00 20.11 H new ATOM 0 HA ASN A 47 -30.434 -6.006 -25.180 1.00 14.21 H new ATOM 0 HB2 ASN A 47 -27.988 -5.636 -24.333 1.00 60.50 H new ATOM 0 HB3 ASN A 47 -28.138 -7.234 -23.630 1.00 60.50 H new ATOM 0 HD21 ASN A 47 -27.013 -8.644 -26.637 1.00 32.51 H new ATOM 0 HD22 ASN A 47 -26.852 -8.483 -24.885 1.00 32.51 H new ATOM 764 N TRP A 48 -30.725 -7.987 -22.585 1.00 63.34 N ATOM 765 CA TRP A 48 -31.345 -9.217 -22.105 1.00 62.33 C ATOM 766 C TRP A 48 -32.863 -9.075 -22.050 1.00 3.31 C ATOM 767 O TRP A 48 -33.427 -8.729 -21.012 1.00 4.24 O ATOM 768 CB TRP A 48 -30.803 -9.579 -20.722 1.00 73.44 C ATOM 769 CG TRP A 48 -31.267 -10.919 -20.234 1.00 63.15 C ATOM 770 CD1 TRP A 48 -32.171 -11.161 -19.240 1.00 5.43 C ATOM 771 CD2 TRP A 48 -30.847 -12.199 -20.719 1.00 61.12 C ATOM 772 NE1 TRP A 48 -32.338 -12.515 -19.078 1.00 14.23 N ATOM 773 CE2 TRP A 48 -31.538 -13.174 -19.973 1.00 42.34 C ATOM 774 CE3 TRP A 48 -29.957 -12.617 -21.713 1.00 52.24 C ATOM 775 CZ2 TRP A 48 -31.364 -14.538 -20.190 1.00 51.14 C ATOM 776 CZ3 TRP A 48 -29.785 -13.972 -21.926 1.00 55.43 C ATOM 777 CH2 TRP A 48 -30.486 -14.919 -21.169 1.00 14.33 C ATOM 0 H TRP A 48 -30.332 -7.398 -21.851 1.00 63.34 H new ATOM 0 HA TRP A 48 -31.099 -10.016 -22.804 1.00 62.33 H new ATOM 0 HB2 TRP A 48 -29.713 -9.569 -20.753 1.00 73.44 H new ATOM 0 HB3 TRP A 48 -31.109 -8.814 -20.008 1.00 73.44 H new ATOM 0 HD1 TRP A 48 -32.680 -10.401 -18.666 1.00 5.43 H new ATOM 0 HE1 TRP A 48 -32.958 -12.958 -18.400 1.00 14.23 H new ATOM 0 HE3 TRP A 48 -29.414 -11.894 -22.304 1.00 52.24 H new ATOM 0 HZ2 TRP A 48 -31.903 -15.270 -19.607 1.00 51.14 H new ATOM 0 HZ3 TRP A 48 -29.098 -14.306 -22.689 1.00 55.43 H new ATOM 0 HH2 TRP A 48 -30.331 -15.970 -21.361 1.00 14.33 H new ATOM 788 N THR A 49 -33.520 -9.346 -23.174 1.00 64.12 N ATOM 789 CA THR A 49 -34.971 -9.247 -23.253 1.00 31.24 C ATOM 790 C THR A 49 -35.642 -10.226 -22.295 1.00 65.42 C ATOM 791 O THR A 49 -35.195 -11.362 -22.141 1.00 13.41 O ATOM 792 CB THR A 49 -35.476 -9.520 -24.682 1.00 45.53 C ATOM 793 OG1 THR A 49 -34.640 -10.492 -25.320 1.00 53.32 O ATOM 794 CG2 THR A 49 -35.489 -8.239 -25.504 1.00 74.23 C ATOM 0 H THR A 49 -33.069 -9.636 -24.042 1.00 64.12 H new ATOM 0 HA THR A 49 -35.233 -8.227 -22.971 1.00 31.24 H new ATOM 0 HB THR A 49 -36.494 -9.903 -24.617 1.00 45.53 H new ATOM 0 HG1 THR A 49 -34.969 -10.661 -26.228 1.00 53.32 H new ATOM 0 HG21 THR A 49 -35.849 -8.456 -26.510 1.00 74.23 H new ATOM 0 HG22 THR A 49 -36.148 -7.510 -25.032 1.00 74.23 H new ATOM 0 HG23 THR A 49 -34.479 -7.832 -25.560 1.00 74.23 H new ATOM 802 N GLY A 50 -36.717 -9.777 -21.654 1.00 64.04 N ATOM 803 CA GLY A 50 -37.431 -10.627 -20.719 1.00 30.41 C ATOM 804 C GLY A 50 -37.839 -9.889 -19.460 1.00 23.04 C ATOM 805 O GLY A 50 -37.049 -9.763 -18.523 1.00 65.24 O ATOM 0 H GLY A 50 -37.106 -8.841 -21.765 1.00 64.04 H new ATOM 0 HA2 GLY A 50 -38.320 -11.030 -21.205 1.00 30.41 H new ATOM 0 HA3 GLY A 50 -36.802 -11.476 -20.451 1.00 30.41 H new ATOM 809 N SER A 51 -39.073 -9.398 -19.436 1.00 63.51 N ATOM 810 CA SER A 51 -39.581 -8.664 -18.284 1.00 54.33 C ATOM 811 C SER A 51 -39.480 -9.505 -17.016 1.00 13.22 C ATOM 812 O SER A 51 -39.966 -10.636 -16.966 1.00 55.55 O ATOM 813 CB SER A 51 -41.035 -8.248 -18.518 1.00 60.23 C ATOM 814 OG SER A 51 -41.117 -7.179 -19.446 1.00 22.33 O ATOM 0 H SER A 51 -39.740 -9.495 -20.202 1.00 63.51 H new ATOM 0 HA SER A 51 -38.970 -7.770 -18.156 1.00 54.33 H new ATOM 0 HB2 SER A 51 -41.605 -9.100 -18.889 1.00 60.23 H new ATOM 0 HB3 SER A 51 -41.488 -7.949 -17.573 1.00 60.23 H new ATOM 0 HG SER A 51 -42.056 -6.933 -19.580 1.00 22.33 H new ATOM 820 N HIS A 52 -38.846 -8.945 -15.990 1.00 5.11 N ATOM 821 CA HIS A 52 -38.680 -9.643 -14.720 1.00 51.22 C ATOM 822 C HIS A 52 -39.488 -8.964 -13.618 1.00 23.32 C ATOM 823 O HIS A 52 -40.112 -7.927 -13.842 1.00 40.23 O ATOM 824 CB HIS A 52 -37.202 -9.690 -14.329 1.00 75.42 C ATOM 825 CG HIS A 52 -36.365 -10.521 -15.253 1.00 3.41 C ATOM 826 ND1 HIS A 52 -35.088 -10.168 -15.633 1.00 45.12 N ATOM 827 CD2 HIS A 52 -36.629 -11.696 -15.871 1.00 31.34 C ATOM 828 CE1 HIS A 52 -34.602 -11.088 -16.447 1.00 14.51 C ATOM 829 NE2 HIS A 52 -35.518 -12.027 -16.607 1.00 33.24 N ATOM 0 H HIS A 52 -38.439 -8.010 -16.014 1.00 5.11 H new ATOM 0 HA HIS A 52 -39.048 -10.662 -14.842 1.00 51.22 H new ATOM 0 HB2 HIS A 52 -36.807 -8.674 -14.309 1.00 75.42 H new ATOM 0 HB3 HIS A 52 -37.114 -10.086 -13.317 1.00 75.42 H new ATOM 0 HD2 HIS A 52 -37.543 -12.267 -15.799 1.00 31.34 H new ATOM 0 HE1 HIS A 52 -33.623 -11.075 -16.904 1.00 14.51 H new ATOM 0 HE2 HIS A 52 -35.416 -12.862 -17.184 1.00 33.24 H new ATOM 837 N ASP A 53 -39.473 -9.557 -12.430 1.00 21.04 N ATOM 838 CA ASP A 53 -40.204 -9.010 -11.293 1.00 52.31 C ATOM 839 C ASP A 53 -39.681 -7.623 -10.927 1.00 35.45 C ATOM 840 O ASP A 53 -38.767 -7.104 -11.566 1.00 44.02 O ATOM 841 CB ASP A 53 -40.090 -9.945 -10.088 1.00 74.00 C ATOM 842 CG ASP A 53 -40.426 -11.382 -10.438 1.00 12.33 C ATOM 843 OD1 ASP A 53 -41.629 -11.701 -10.547 1.00 42.25 O ATOM 844 OD2 ASP A 53 -39.487 -12.187 -10.602 1.00 3.30 O ATOM 0 H ASP A 53 -38.963 -10.417 -12.229 1.00 21.04 H new ATOM 0 HA ASP A 53 -41.253 -8.921 -11.576 1.00 52.31 H new ATOM 0 HB2 ASP A 53 -39.076 -9.898 -9.690 1.00 74.00 H new ATOM 0 HB3 ASP A 53 -40.759 -9.600 -9.299 1.00 74.00 H new ATOM 849 N THR A 54 -40.270 -7.029 -9.894 1.00 12.44 N ATOM 850 CA THR A 54 -39.866 -5.703 -9.444 1.00 3.03 C ATOM 851 C THR A 54 -38.864 -5.792 -8.299 1.00 3.11 C ATOM 852 O THR A 54 -38.971 -5.070 -7.307 1.00 54.01 O ATOM 853 CB THR A 54 -41.078 -4.871 -8.985 1.00 72.30 C ATOM 854 OG1 THR A 54 -41.684 -5.479 -7.838 1.00 4.45 O ATOM 855 CG2 THR A 54 -42.106 -4.750 -10.101 1.00 24.31 C ATOM 0 H THR A 54 -41.028 -7.445 -9.353 1.00 12.44 H new ATOM 0 HA THR A 54 -39.398 -5.210 -10.296 1.00 3.03 H new ATOM 0 HB THR A 54 -40.727 -3.872 -8.725 1.00 72.30 H new ATOM 0 HG1 THR A 54 -42.453 -4.943 -7.551 1.00 4.45 H new ATOM 0 HG21 THR A 54 -42.953 -4.158 -9.753 1.00 24.31 H new ATOM 0 HG22 THR A 54 -41.652 -4.261 -10.963 1.00 24.31 H new ATOM 0 HG23 THR A 54 -42.451 -5.744 -10.387 1.00 24.31 H new ATOM 863 N LYS A 55 -37.887 -6.681 -8.441 1.00 25.51 N ATOM 864 CA LYS A 55 -36.863 -6.865 -7.420 1.00 23.45 C ATOM 865 C LYS A 55 -35.481 -6.520 -7.967 1.00 0.22 C ATOM 866 O LYS A 55 -35.146 -6.874 -9.097 1.00 44.22 O ATOM 867 CB LYS A 55 -36.875 -8.308 -6.910 1.00 5.01 C ATOM 868 CG LYS A 55 -37.904 -8.559 -5.822 1.00 20.51 C ATOM 869 CD LYS A 55 -38.242 -10.036 -5.705 1.00 25.15 C ATOM 870 CE LYS A 55 -37.125 -10.810 -5.020 1.00 21.14 C ATOM 871 NZ LYS A 55 -36.084 -11.256 -5.987 1.00 60.54 N ATOM 0 H LYS A 55 -37.783 -7.287 -9.255 1.00 25.51 H new ATOM 0 HA LYS A 55 -37.086 -6.192 -6.592 1.00 23.45 H new ATOM 0 HB2 LYS A 55 -37.072 -8.979 -7.746 1.00 5.01 H new ATOM 0 HB3 LYS A 55 -35.885 -8.558 -6.527 1.00 5.01 H new ATOM 0 HG2 LYS A 55 -37.522 -8.195 -4.868 1.00 20.51 H new ATOM 0 HG3 LYS A 55 -38.810 -7.993 -6.039 1.00 20.51 H new ATOM 0 HD2 LYS A 55 -39.167 -10.155 -5.142 1.00 25.15 H new ATOM 0 HD3 LYS A 55 -38.418 -10.450 -6.698 1.00 25.15 H new ATOM 0 HE2 LYS A 55 -36.666 -10.184 -4.255 1.00 21.14 H new ATOM 0 HE3 LYS A 55 -37.544 -11.678 -4.512 1.00 21.14 H new ATOM 0 HZ1 LYS A 55 -35.811 -12.237 -5.775 1.00 60.54 H new ATOM 0 HZ2 LYS A 55 -36.463 -11.203 -6.954 1.00 60.54 H new ATOM 0 HZ3 LYS A 55 -35.250 -10.640 -5.908 1.00 60.54 H new ATOM 885 N GLN A 56 -34.685 -5.828 -7.158 1.00 53.42 N ATOM 886 CA GLN A 56 -33.340 -5.436 -7.561 1.00 62.33 C ATOM 887 C GLN A 56 -32.328 -6.519 -7.204 1.00 44.20 C ATOM 888 O GLN A 56 -31.707 -6.474 -6.142 1.00 43.23 O ATOM 889 CB GLN A 56 -32.950 -4.115 -6.896 1.00 22.10 C ATOM 890 CG GLN A 56 -31.584 -3.601 -7.320 1.00 42.23 C ATOM 891 CD GLN A 56 -31.595 -2.991 -8.708 1.00 70.31 C ATOM 892 OE1 GLN A 56 -32.599 -3.058 -9.419 1.00 43.55 O ATOM 893 NE2 GLN A 56 -30.478 -2.392 -9.102 1.00 23.25 N ATOM 0 H GLN A 56 -34.949 -5.527 -6.220 1.00 53.42 H new ATOM 0 HA GLN A 56 -33.336 -5.304 -8.643 1.00 62.33 H new ATOM 0 HB2 GLN A 56 -33.702 -3.362 -7.133 1.00 22.10 H new ATOM 0 HB3 GLN A 56 -32.960 -4.246 -5.814 1.00 22.10 H new ATOM 0 HG2 GLN A 56 -31.242 -2.855 -6.602 1.00 42.23 H new ATOM 0 HG3 GLN A 56 -30.867 -4.422 -7.294 1.00 42.23 H new ATOM 0 HE21 GLN A 56 -29.670 -2.360 -8.480 1.00 23.25 H new ATOM 0 HE22 GLN A 56 -30.428 -1.964 -10.026 1.00 23.25 H new ATOM 902 N GLN A 57 -32.166 -7.489 -8.097 1.00 73.20 N ATOM 903 CA GLN A 57 -31.229 -8.584 -7.874 1.00 42.21 C ATOM 904 C GLN A 57 -29.843 -8.230 -8.403 1.00 33.31 C ATOM 905 O GLN A 57 -29.704 -7.717 -9.513 1.00 42.22 O ATOM 906 CB GLN A 57 -31.734 -9.862 -8.547 1.00 12.32 C ATOM 907 CG GLN A 57 -30.629 -10.849 -8.887 1.00 54.40 C ATOM 908 CD GLN A 57 -31.152 -12.252 -9.120 1.00 62.31 C ATOM 909 OE1 GLN A 57 -30.800 -13.186 -8.400 1.00 22.04 O ATOM 910 NE2 GLN A 57 -31.997 -12.408 -10.131 1.00 70.35 N ATOM 0 H GLN A 57 -32.671 -7.539 -8.982 1.00 73.20 H new ATOM 0 HA GLN A 57 -31.156 -8.753 -6.800 1.00 42.21 H new ATOM 0 HB2 GLN A 57 -32.454 -10.349 -7.889 1.00 12.32 H new ATOM 0 HB3 GLN A 57 -32.266 -9.596 -9.461 1.00 12.32 H new ATOM 0 HG2 GLN A 57 -30.104 -10.508 -9.779 1.00 54.40 H new ATOM 0 HG3 GLN A 57 -29.901 -10.867 -8.076 1.00 54.40 H new ATOM 0 HE21 GLN A 57 -32.262 -11.606 -10.703 1.00 70.35 H new ATOM 0 HE22 GLN A 57 -32.382 -13.330 -10.337 1.00 70.35 H new ATOM 919 N VAL A 58 -28.820 -8.509 -7.602 1.00 2.02 N ATOM 920 CA VAL A 58 -27.445 -8.220 -7.990 1.00 23.04 C ATOM 921 C VAL A 58 -26.728 -9.485 -8.450 1.00 42.51 C ATOM 922 O VAL A 58 -25.813 -9.427 -9.273 1.00 1.10 O ATOM 923 CB VAL A 58 -26.654 -7.589 -6.828 1.00 20.33 C ATOM 924 CG1 VAL A 58 -27.151 -6.179 -6.547 1.00 71.51 C ATOM 925 CG2 VAL A 58 -26.754 -8.457 -5.582 1.00 43.34 C ATOM 0 H VAL A 58 -28.918 -8.935 -6.680 1.00 2.02 H new ATOM 0 HA VAL A 58 -27.491 -7.510 -8.816 1.00 23.04 H new ATOM 0 HB VAL A 58 -25.605 -7.528 -7.117 1.00 20.33 H new ATOM 0 HG11 VAL A 58 -26.581 -5.750 -5.723 1.00 71.51 H new ATOM 0 HG12 VAL A 58 -27.022 -5.564 -7.437 1.00 71.51 H new ATOM 0 HG13 VAL A 58 -28.207 -6.212 -6.279 1.00 71.51 H new ATOM 0 HG21 VAL A 58 -26.190 -7.996 -4.771 1.00 43.34 H new ATOM 0 HG22 VAL A 58 -27.799 -8.552 -5.288 1.00 43.34 H new ATOM 0 HG23 VAL A 58 -26.345 -9.445 -5.793 1.00 43.34 H new ATOM 935 N CYS A 59 -27.149 -10.625 -7.915 1.00 3.33 N ATOM 936 CA CYS A 59 -26.546 -11.905 -8.271 1.00 3.20 C ATOM 937 C CYS A 59 -27.160 -12.458 -9.553 1.00 55.44 C ATOM 938 O CYS A 59 -28.383 -12.530 -9.687 1.00 3.11 O ATOM 939 CB CYS A 59 -26.723 -12.910 -7.132 1.00 41.11 C ATOM 940 SG CYS A 59 -26.110 -12.329 -5.533 1.00 51.00 S ATOM 0 H CYS A 59 -27.905 -10.690 -7.233 1.00 3.33 H new ATOM 0 HA CYS A 59 -25.482 -11.742 -8.440 1.00 3.20 H new ATOM 0 HB2 CYS A 59 -27.781 -13.152 -7.037 1.00 41.11 H new ATOM 0 HB3 CYS A 59 -26.207 -13.834 -7.393 1.00 41.11 H new ATOM 0 HG CYS A 59 -25.062 -11.582 -5.715 1.00 51.00 H new ATOM 946 N LEU A 60 -26.306 -12.845 -10.493 1.00 42.21 N ATOM 947 CA LEU A 60 -26.765 -13.390 -11.766 1.00 43.34 C ATOM 948 C LEU A 60 -26.308 -14.835 -11.937 1.00 2.24 C ATOM 949 O LEU A 60 -25.118 -15.136 -11.839 1.00 50.00 O ATOM 950 CB LEU A 60 -26.244 -12.538 -12.925 1.00 24.53 C ATOM 951 CG LEU A 60 -26.268 -13.196 -14.306 1.00 2.43 C ATOM 952 CD1 LEU A 60 -27.685 -13.598 -14.680 1.00 74.31 C ATOM 953 CD2 LEU A 60 -25.683 -12.260 -15.353 1.00 23.00 C ATOM 0 H LEU A 60 -25.292 -12.792 -10.398 1.00 42.21 H new ATOM 0 HA LEU A 60 -27.855 -13.371 -11.769 1.00 43.34 H new ATOM 0 HB2 LEU A 60 -26.834 -11.623 -12.971 1.00 24.53 H new ATOM 0 HB3 LEU A 60 -25.218 -12.245 -12.702 1.00 24.53 H new ATOM 0 HG LEU A 60 -25.654 -14.096 -14.270 1.00 2.43 H new ATOM 0 HD11 LEU A 60 -27.683 -14.064 -15.665 1.00 74.31 H new ATOM 0 HD12 LEU A 60 -28.069 -14.305 -13.945 1.00 74.31 H new ATOM 0 HD13 LEU A 60 -28.321 -12.713 -14.699 1.00 74.31 H new ATOM 0 HD21 LEU A 60 -25.708 -12.745 -16.329 1.00 23.00 H new ATOM 0 HD22 LEU A 60 -26.269 -11.342 -15.389 1.00 23.00 H new ATOM 0 HD23 LEU A 60 -24.652 -12.022 -15.093 1.00 23.00 H new ATOM 965 N SER A 61 -27.262 -15.725 -12.194 1.00 1.45 N ATOM 966 CA SER A 61 -26.957 -17.140 -12.376 1.00 53.31 C ATOM 967 C SER A 61 -26.737 -17.462 -13.851 1.00 10.03 C ATOM 968 O SER A 61 -27.197 -16.736 -14.732 1.00 70.44 O ATOM 969 CB SER A 61 -28.090 -18.002 -11.817 1.00 63.42 C ATOM 970 OG SER A 61 -29.277 -17.837 -12.573 1.00 62.41 O ATOM 0 H SER A 61 -28.251 -15.492 -12.281 1.00 1.45 H new ATOM 0 HA SER A 61 -26.039 -17.363 -11.833 1.00 53.31 H new ATOM 0 HB2 SER A 61 -27.792 -19.050 -11.826 1.00 63.42 H new ATOM 0 HB3 SER A 61 -28.277 -17.733 -10.777 1.00 63.42 H new ATOM 0 HG SER A 61 -30.055 -17.973 -11.993 1.00 62.41 H new ATOM 976 N PHE A 62 -26.028 -18.556 -14.111 1.00 34.20 N ATOM 977 CA PHE A 62 -25.746 -18.975 -15.478 1.00 24.13 C ATOM 978 C PHE A 62 -25.811 -20.495 -15.606 1.00 4.21 C ATOM 979 O PHE A 62 -25.378 -21.224 -14.712 1.00 74.03 O ATOM 980 CB PHE A 62 -24.366 -18.475 -15.913 1.00 72.11 C ATOM 981 CG PHE A 62 -24.372 -17.055 -16.404 1.00 63.22 C ATOM 982 CD1 PHE A 62 -24.950 -16.731 -17.620 1.00 72.43 C ATOM 983 CD2 PHE A 62 -23.798 -16.045 -15.649 1.00 64.42 C ATOM 984 CE1 PHE A 62 -24.955 -15.426 -18.076 1.00 35.21 C ATOM 985 CE2 PHE A 62 -23.801 -14.737 -16.099 1.00 30.32 C ATOM 986 CZ PHE A 62 -24.382 -14.428 -17.314 1.00 1.24 C ATOM 0 H PHE A 62 -25.639 -19.167 -13.393 1.00 34.20 H new ATOM 0 HA PHE A 62 -26.505 -18.540 -16.128 1.00 24.13 H new ATOM 0 HB2 PHE A 62 -23.677 -18.558 -15.073 1.00 72.11 H new ATOM 0 HB3 PHE A 62 -23.986 -19.123 -16.703 1.00 72.11 H new ATOM 0 HD1 PHE A 62 -25.402 -17.507 -18.219 1.00 72.43 H new ATOM 0 HD2 PHE A 62 -23.343 -16.282 -14.698 1.00 64.42 H new ATOM 0 HE1 PHE A 62 -25.407 -15.188 -19.028 1.00 35.21 H new ATOM 0 HE2 PHE A 62 -23.350 -13.958 -15.502 1.00 30.32 H new ATOM 0 HZ PHE A 62 -24.388 -13.407 -17.667 1.00 1.24 H new ATOM 996 N THR A 63 -26.354 -20.966 -16.724 1.00 11.14 N ATOM 997 CA THR A 63 -26.478 -22.398 -16.969 1.00 15.14 C ATOM 998 C THR A 63 -25.122 -23.024 -17.269 1.00 4.33 C ATOM 999 O THR A 63 -24.813 -24.119 -16.798 1.00 25.02 O ATOM 1000 CB THR A 63 -27.435 -22.686 -18.141 1.00 11.34 C ATOM 1001 OG1 THR A 63 -28.367 -21.609 -18.288 1.00 74.51 O ATOM 1002 CG2 THR A 63 -28.188 -23.989 -17.917 1.00 21.24 C ATOM 0 H THR A 63 -26.715 -20.377 -17.474 1.00 11.14 H new ATOM 0 HA THR A 63 -26.885 -22.840 -16.060 1.00 15.14 H new ATOM 0 HB THR A 63 -26.842 -22.780 -19.051 1.00 11.34 H new ATOM 0 HG1 THR A 63 -28.971 -21.799 -19.036 1.00 74.51 H new ATOM 0 HG21 THR A 63 -28.858 -24.171 -18.757 1.00 21.24 H new ATOM 0 HG22 THR A 63 -27.477 -24.811 -17.835 1.00 21.24 H new ATOM 0 HG23 THR A 63 -28.770 -23.920 -16.998 1.00 21.24 H new ATOM 1010 N THR A 64 -24.311 -22.321 -18.055 1.00 53.20 N ATOM 1011 CA THR A 64 -22.987 -22.808 -18.418 1.00 41.21 C ATOM 1012 C THR A 64 -21.947 -21.698 -18.321 1.00 63.02 C ATOM 1013 O THR A 64 -22.255 -20.525 -18.536 1.00 74.12 O ATOM 1014 CB THR A 64 -22.972 -23.386 -19.846 1.00 34.22 C ATOM 1015 OG1 THR A 64 -23.749 -22.557 -20.718 1.00 10.24 O ATOM 1016 CG2 THR A 64 -23.525 -24.804 -19.861 1.00 51.41 C ATOM 0 H THR A 64 -24.549 -21.412 -18.452 1.00 53.20 H new ATOM 0 HA THR A 64 -22.737 -23.599 -17.711 1.00 41.21 H new ATOM 0 HB THR A 64 -21.939 -23.411 -20.194 1.00 34.22 H new ATOM 0 HG1 THR A 64 -23.733 -22.930 -21.624 1.00 10.24 H new ATOM 0 HG21 THR A 64 -23.505 -25.192 -20.880 1.00 51.41 H new ATOM 0 HG22 THR A 64 -22.915 -25.439 -19.219 1.00 51.41 H new ATOM 0 HG23 THR A 64 -24.552 -24.798 -19.496 1.00 51.41 H new ATOM 1024 N ARG A 65 -20.714 -22.074 -17.999 1.00 32.54 N ATOM 1025 CA ARG A 65 -19.629 -21.109 -17.874 1.00 4.24 C ATOM 1026 C ARG A 65 -19.498 -20.271 -19.142 1.00 24.13 C ATOM 1027 O ARG A 65 -19.281 -19.062 -19.077 1.00 55.23 O ATOM 1028 CB ARG A 65 -18.309 -21.828 -17.586 1.00 21.33 C ATOM 1029 CG ARG A 65 -18.064 -23.032 -18.481 1.00 5.01 C ATOM 1030 CD ARG A 65 -16.668 -23.602 -18.279 1.00 40.52 C ATOM 1031 NE ARG A 65 -16.654 -24.673 -17.287 1.00 22.42 N ATOM 1032 CZ ARG A 65 -17.126 -25.894 -17.517 1.00 3.02 C ATOM 1033 NH1 ARG A 65 -17.646 -26.195 -18.699 1.00 24.30 N ATOM 1034 NH2 ARG A 65 -17.077 -26.816 -16.565 1.00 34.11 N ATOM 0 H ARG A 65 -20.442 -23.040 -17.820 1.00 32.54 H new ATOM 0 HA ARG A 65 -19.862 -20.444 -17.042 1.00 4.24 H new ATOM 0 HB2 ARG A 65 -17.487 -21.123 -17.707 1.00 21.33 H new ATOM 0 HB3 ARG A 65 -18.301 -22.152 -16.545 1.00 21.33 H new ATOM 0 HG2 ARG A 65 -18.806 -23.801 -18.269 1.00 5.01 H new ATOM 0 HG3 ARG A 65 -18.193 -22.743 -19.524 1.00 5.01 H new ATOM 0 HD2 ARG A 65 -16.290 -23.982 -19.228 1.00 40.52 H new ATOM 0 HD3 ARG A 65 -15.993 -22.806 -17.963 1.00 40.52 H new ATOM 0 HE ARG A 65 -16.261 -24.473 -16.367 1.00 22.42 H new ATOM 0 HH11 ARG A 65 -17.684 -25.489 -19.434 1.00 24.30 H new ATOM 0 HH12 ARG A 65 -18.008 -27.133 -18.873 1.00 24.30 H new ATOM 0 HH21 ARG A 65 -16.677 -26.589 -15.655 1.00 34.11 H new ATOM 0 HH22 ARG A 65 -17.440 -27.753 -16.743 1.00 34.11 H new ATOM 1048 N GLU A 66 -19.627 -20.923 -20.292 1.00 75.52 N ATOM 1049 CA GLU A 66 -19.523 -20.238 -21.575 1.00 64.04 C ATOM 1050 C GLU A 66 -20.443 -19.022 -21.619 1.00 14.32 C ATOM 1051 O GLU A 66 -20.141 -18.023 -22.274 1.00 74.53 O ATOM 1052 CB GLU A 66 -19.868 -21.193 -22.720 1.00 4.14 C ATOM 1053 CG GLU A 66 -21.316 -21.650 -22.715 1.00 71.34 C ATOM 1054 CD GLU A 66 -21.572 -22.786 -23.687 1.00 12.24 C ATOM 1055 OE1 GLU A 66 -21.271 -23.946 -23.334 1.00 61.44 O ATOM 1056 OE2 GLU A 66 -22.073 -22.516 -24.798 1.00 23.55 O ATOM 0 H GLU A 66 -19.804 -21.925 -20.362 1.00 75.52 H new ATOM 0 HA GLU A 66 -18.494 -19.899 -21.693 1.00 64.04 H new ATOM 0 HB2 GLU A 66 -19.654 -20.701 -23.669 1.00 4.14 H new ATOM 0 HB3 GLU A 66 -19.220 -22.067 -22.661 1.00 4.14 H new ATOM 0 HG2 GLU A 66 -21.589 -21.969 -21.709 1.00 71.34 H new ATOM 0 HG3 GLU A 66 -21.960 -20.808 -22.968 1.00 71.34 H new ATOM 1063 N LEU A 67 -21.567 -19.112 -20.917 1.00 71.31 N ATOM 1064 CA LEU A 67 -22.534 -18.021 -20.875 1.00 41.32 C ATOM 1065 C LEU A 67 -22.099 -16.946 -19.885 1.00 1.44 C ATOM 1066 O LEU A 67 -22.282 -15.753 -20.127 1.00 23.00 O ATOM 1067 CB LEU A 67 -23.916 -18.551 -20.494 1.00 75.11 C ATOM 1068 CG LEU A 67 -24.813 -18.987 -21.654 1.00 5.42 C ATOM 1069 CD1 LEU A 67 -25.902 -19.927 -21.163 1.00 70.23 C ATOM 1070 CD2 LEU A 67 -25.421 -17.774 -22.341 1.00 73.03 C ATOM 0 H LEU A 67 -21.831 -19.930 -20.368 1.00 71.31 H new ATOM 0 HA LEU A 67 -22.584 -17.576 -21.869 1.00 41.32 H new ATOM 0 HB2 LEU A 67 -23.785 -19.400 -19.824 1.00 75.11 H new ATOM 0 HB3 LEU A 67 -24.437 -17.777 -19.930 1.00 75.11 H new ATOM 0 HG LEU A 67 -24.202 -19.523 -22.380 1.00 5.42 H new ATOM 0 HD11 LEU A 67 -26.530 -20.226 -22.002 1.00 70.23 H new ATOM 0 HD12 LEU A 67 -25.446 -20.811 -20.718 1.00 70.23 H new ATOM 0 HD13 LEU A 67 -26.512 -19.419 -20.417 1.00 70.23 H new ATOM 0 HD21 LEU A 67 -26.056 -18.102 -23.164 1.00 73.03 H new ATOM 0 HD22 LEU A 67 -26.018 -17.211 -21.624 1.00 73.03 H new ATOM 0 HD23 LEU A 67 -24.625 -17.138 -22.729 1.00 73.03 H new ATOM 1082 N ALA A 68 -21.519 -17.376 -18.769 1.00 21.31 N ATOM 1083 CA ALA A 68 -21.053 -16.450 -17.744 1.00 31.24 C ATOM 1084 C ALA A 68 -19.896 -15.599 -18.258 1.00 22.14 C ATOM 1085 O ALA A 68 -20.010 -14.378 -18.361 1.00 42.03 O ATOM 1086 CB ALA A 68 -20.636 -17.212 -16.495 1.00 11.11 C ATOM 0 H ALA A 68 -21.361 -18.360 -18.552 1.00 21.31 H new ATOM 0 HA ALA A 68 -21.876 -15.782 -17.491 1.00 31.24 H new ATOM 0 HB1 ALA A 68 -20.290 -16.508 -15.738 1.00 11.11 H new ATOM 0 HB2 ALA A 68 -21.488 -17.771 -16.108 1.00 11.11 H new ATOM 0 HB3 ALA A 68 -19.831 -17.903 -16.743 1.00 11.11 H new ATOM 1092 N ILE A 69 -18.783 -16.252 -18.576 1.00 72.41 N ATOM 1093 CA ILE A 69 -17.606 -15.555 -19.079 1.00 72.23 C ATOM 1094 C ILE A 69 -17.954 -14.691 -20.287 1.00 53.24 C ATOM 1095 O ILE A 69 -17.392 -13.611 -20.472 1.00 21.25 O ATOM 1096 CB ILE A 69 -16.492 -16.543 -19.474 1.00 13.45 C ATOM 1097 CG1 ILE A 69 -16.045 -17.352 -18.255 1.00 30.53 C ATOM 1098 CG2 ILE A 69 -15.314 -15.797 -20.081 1.00 72.45 C ATOM 1099 CD1 ILE A 69 -16.511 -18.792 -18.282 1.00 43.14 C ATOM 0 H ILE A 69 -18.672 -17.263 -18.494 1.00 72.41 H new ATOM 0 HA ILE A 69 -17.247 -14.919 -18.270 1.00 72.23 H new ATOM 0 HB ILE A 69 -16.885 -17.232 -20.222 1.00 13.45 H new ATOM 0 HG12 ILE A 69 -14.957 -17.332 -18.194 1.00 30.53 H new ATOM 0 HG13 ILE A 69 -16.424 -16.873 -17.352 1.00 30.53 H new ATOM 0 HG21 ILE A 69 -14.535 -16.508 -20.355 1.00 72.45 H new ATOM 0 HG22 ILE A 69 -15.643 -15.259 -20.970 1.00 72.45 H new ATOM 0 HG23 ILE A 69 -14.918 -15.088 -19.354 1.00 72.45 H new ATOM 0 HD11 ILE A 69 -16.158 -19.305 -17.388 1.00 43.14 H new ATOM 0 HD12 ILE A 69 -17.600 -18.821 -18.311 1.00 43.14 H new ATOM 0 HD13 ILE A 69 -16.111 -19.287 -19.167 1.00 43.14 H new ATOM 1111 N ALA A 70 -18.885 -15.171 -21.104 1.00 73.24 N ATOM 1112 CA ALA A 70 -19.311 -14.441 -22.291 1.00 41.34 C ATOM 1113 C ALA A 70 -19.858 -13.066 -21.924 1.00 11.34 C ATOM 1114 O ALA A 70 -19.877 -12.153 -22.749 1.00 42.14 O ATOM 1115 CB ALA A 70 -20.356 -15.239 -23.056 1.00 71.33 C ATOM 0 H ALA A 70 -19.359 -16.063 -20.965 1.00 73.24 H new ATOM 0 HA ALA A 70 -18.440 -14.298 -22.930 1.00 41.34 H new ATOM 0 HB1 ALA A 70 -20.665 -14.681 -23.940 1.00 71.33 H new ATOM 0 HB2 ALA A 70 -19.932 -16.196 -23.361 1.00 71.33 H new ATOM 0 HB3 ALA A 70 -21.221 -15.413 -22.416 1.00 71.33 H new ATOM 1121 N TYR A 71 -20.302 -12.925 -20.679 1.00 72.01 N ATOM 1122 CA TYR A 71 -20.852 -11.662 -20.202 1.00 61.25 C ATOM 1123 C TYR A 71 -19.739 -10.686 -19.833 1.00 21.32 C ATOM 1124 O TYR A 71 -19.752 -9.526 -20.244 1.00 73.20 O ATOM 1125 CB TYR A 71 -21.759 -11.899 -18.994 1.00 63.30 C ATOM 1126 CG TYR A 71 -22.651 -10.724 -18.666 1.00 53.11 C ATOM 1127 CD1 TYR A 71 -23.328 -10.040 -19.667 1.00 52.32 C ATOM 1128 CD2 TYR A 71 -22.818 -10.299 -17.353 1.00 73.12 C ATOM 1129 CE1 TYR A 71 -24.145 -8.965 -19.372 1.00 0.22 C ATOM 1130 CE2 TYR A 71 -23.634 -9.226 -17.049 1.00 31.14 C ATOM 1131 CZ TYR A 71 -24.294 -8.562 -18.061 1.00 32.03 C ATOM 1132 OH TYR A 71 -25.107 -7.493 -17.763 1.00 12.41 O ATOM 0 H TYR A 71 -20.291 -13.670 -19.983 1.00 72.01 H new ATOM 0 HA TYR A 71 -21.440 -11.225 -21.009 1.00 61.25 H new ATOM 0 HB2 TYR A 71 -22.380 -12.774 -19.183 1.00 63.30 H new ATOM 0 HB3 TYR A 71 -21.141 -12.129 -18.126 1.00 63.30 H new ATOM 0 HD1 TYR A 71 -23.214 -10.354 -20.694 1.00 52.32 H new ATOM 0 HD2 TYR A 71 -22.302 -10.816 -16.558 1.00 73.12 H new ATOM 0 HE1 TYR A 71 -24.664 -8.444 -20.163 1.00 0.22 H new ATOM 0 HE2 TYR A 71 -23.754 -8.909 -16.024 1.00 31.14 H new ATOM 0 HH TYR A 71 -25.104 -7.339 -16.795 1.00 12.41 H new ATOM 1142 N ALA A 72 -18.775 -11.168 -19.055 1.00 4.32 N ATOM 1143 CA ALA A 72 -17.651 -10.341 -18.631 1.00 71.11 C ATOM 1144 C ALA A 72 -16.784 -9.941 -19.821 1.00 31.33 C ATOM 1145 O ALA A 72 -16.512 -8.760 -20.035 1.00 51.22 O ATOM 1146 CB ALA A 72 -16.818 -11.075 -17.591 1.00 41.11 C ATOM 0 H ALA A 72 -18.750 -12.126 -18.706 1.00 4.32 H new ATOM 0 HA ALA A 72 -18.050 -9.431 -18.184 1.00 71.11 H new ATOM 0 HB1 ALA A 72 -15.983 -10.446 -17.284 1.00 41.11 H new ATOM 0 HB2 ALA A 72 -17.438 -11.304 -16.724 1.00 41.11 H new ATOM 0 HB3 ALA A 72 -16.436 -12.002 -18.019 1.00 41.11 H new ATOM 1152 N VAL A 73 -16.351 -10.934 -20.591 1.00 74.45 N ATOM 1153 CA VAL A 73 -15.515 -10.687 -21.759 1.00 70.12 C ATOM 1154 C VAL A 73 -16.138 -9.633 -22.668 1.00 1.02 C ATOM 1155 O VAL A 73 -15.432 -8.893 -23.352 1.00 72.43 O ATOM 1156 CB VAL A 73 -15.286 -11.976 -22.569 1.00 31.22 C ATOM 1157 CG1 VAL A 73 -14.446 -11.690 -23.805 1.00 12.20 C ATOM 1158 CG2 VAL A 73 -14.628 -13.040 -21.703 1.00 3.54 C ATOM 0 H VAL A 73 -16.566 -11.918 -20.427 1.00 74.45 H new ATOM 0 HA VAL A 73 -14.556 -10.324 -21.390 1.00 70.12 H new ATOM 0 HB VAL A 73 -16.254 -12.354 -22.897 1.00 31.22 H new ATOM 0 HG11 VAL A 73 -14.295 -12.613 -24.364 1.00 12.20 H new ATOM 0 HG12 VAL A 73 -14.961 -10.964 -24.435 1.00 12.20 H new ATOM 0 HG13 VAL A 73 -13.479 -11.287 -23.503 1.00 12.20 H new ATOM 0 HG21 VAL A 73 -14.474 -13.944 -22.292 1.00 3.54 H new ATOM 0 HG22 VAL A 73 -13.667 -12.673 -21.343 1.00 3.54 H new ATOM 0 HG23 VAL A 73 -15.271 -13.266 -20.853 1.00 3.54 H new ATOM 1168 N ALA A 74 -17.466 -9.571 -22.669 1.00 32.44 N ATOM 1169 CA ALA A 74 -18.185 -8.607 -23.492 1.00 51.41 C ATOM 1170 C ALA A 74 -17.694 -7.186 -23.228 1.00 72.40 C ATOM 1171 O ALA A 74 -17.771 -6.321 -24.101 1.00 2.21 O ATOM 1172 CB ALA A 74 -19.681 -8.706 -23.236 1.00 54.32 C ATOM 0 H ALA A 74 -18.065 -10.177 -22.109 1.00 32.44 H new ATOM 0 HA ALA A 74 -17.990 -8.843 -24.538 1.00 51.41 H new ATOM 0 HB1 ALA A 74 -20.205 -7.980 -23.858 1.00 54.32 H new ATOM 0 HB2 ALA A 74 -20.026 -9.710 -23.481 1.00 54.32 H new ATOM 0 HB3 ALA A 74 -19.885 -8.499 -22.186 1.00 54.32 H new ATOM 1178 N HIS A 75 -17.191 -6.954 -22.019 1.00 70.35 N ATOM 1179 CA HIS A 75 -16.689 -5.638 -21.642 1.00 4.11 C ATOM 1180 C HIS A 75 -15.257 -5.733 -21.123 1.00 14.42 C ATOM 1181 O HIS A 75 -14.807 -4.882 -20.355 1.00 10.35 O ATOM 1182 CB HIS A 75 -17.589 -5.011 -20.578 1.00 31.31 C ATOM 1183 CG HIS A 75 -18.990 -4.762 -21.049 1.00 4.24 C ATOM 1184 ND1 HIS A 75 -19.937 -5.758 -21.155 1.00 0.42 N ATOM 1185 CD2 HIS A 75 -19.601 -3.620 -21.442 1.00 31.10 C ATOM 1186 CE1 HIS A 75 -21.069 -5.241 -21.594 1.00 75.23 C ATOM 1187 NE2 HIS A 75 -20.893 -3.944 -21.776 1.00 30.40 N ATOM 0 H HIS A 75 -17.121 -7.659 -21.285 1.00 70.35 H new ATOM 0 HA HIS A 75 -16.695 -5.005 -22.530 1.00 4.11 H new ATOM 0 HB2 HIS A 75 -17.618 -5.666 -19.707 1.00 31.31 H new ATOM 0 HB3 HIS A 75 -17.151 -4.067 -20.253 1.00 31.31 H new ATOM 0 HD2 HIS A 75 -19.155 -2.637 -21.485 1.00 31.10 H new ATOM 0 HE1 HIS A 75 -21.984 -5.786 -21.774 1.00 75.23 H new ATOM 0 HE2 HIS A 75 -21.601 -3.290 -22.110 1.00 30.40 H new ATOM 1195 N LYS A 76 -14.546 -6.772 -21.546 1.00 33.01 N ATOM 1196 CA LYS A 76 -13.166 -6.979 -21.124 1.00 60.24 C ATOM 1197 C LYS A 76 -13.046 -6.921 -19.605 1.00 54.12 C ATOM 1198 O LYS A 76 -12.083 -6.370 -19.069 1.00 74.23 O ATOM 1199 CB LYS A 76 -12.255 -5.926 -21.759 1.00 3.25 C ATOM 1200 CG LYS A 76 -10.822 -6.394 -21.944 1.00 10.12 C ATOM 1201 CD LYS A 76 -10.573 -6.880 -23.362 1.00 41.21 C ATOM 1202 CE LYS A 76 -10.847 -8.370 -23.497 1.00 34.33 C ATOM 1203 NZ LYS A 76 -9.786 -9.191 -22.852 1.00 13.22 N ATOM 0 H LYS A 76 -14.903 -7.485 -22.182 1.00 33.01 H new ATOM 0 HA LYS A 76 -12.855 -7.969 -21.457 1.00 60.24 H new ATOM 0 HB2 LYS A 76 -12.664 -5.641 -22.729 1.00 3.25 H new ATOM 0 HB3 LYS A 76 -12.259 -5.031 -21.136 1.00 3.25 H new ATOM 0 HG2 LYS A 76 -10.139 -5.577 -21.713 1.00 10.12 H new ATOM 0 HG3 LYS A 76 -10.607 -7.198 -21.240 1.00 10.12 H new ATOM 0 HD2 LYS A 76 -11.209 -6.328 -24.054 1.00 41.21 H new ATOM 0 HD3 LYS A 76 -9.541 -6.672 -23.643 1.00 41.21 H new ATOM 0 HE2 LYS A 76 -11.811 -8.604 -23.046 1.00 34.33 H new ATOM 0 HE3 LYS A 76 -10.917 -8.632 -24.553 1.00 34.33 H new ATOM 0 HZ1 LYS A 76 -9.854 -10.173 -23.189 1.00 13.22 H new ATOM 0 HZ2 LYS A 76 -8.852 -8.805 -23.096 1.00 13.22 H new ATOM 0 HZ3 LYS A 76 -9.910 -9.170 -21.820 1.00 13.22 H new ATOM 1217 N ILE A 77 -14.028 -7.493 -18.916 1.00 52.34 N ATOM 1218 CA ILE A 77 -14.031 -7.507 -17.458 1.00 12.10 C ATOM 1219 C ILE A 77 -13.270 -8.713 -16.919 1.00 23.34 C ATOM 1220 O ILE A 77 -13.344 -9.808 -17.479 1.00 52.32 O ATOM 1221 CB ILE A 77 -15.465 -7.528 -16.898 1.00 53.20 C ATOM 1222 CG1 ILE A 77 -16.244 -6.304 -17.386 1.00 31.14 C ATOM 1223 CG2 ILE A 77 -15.439 -7.575 -15.377 1.00 41.15 C ATOM 1224 CD1 ILE A 77 -17.738 -6.415 -17.174 1.00 43.31 C ATOM 0 H ILE A 77 -14.832 -7.953 -19.344 1.00 52.34 H new ATOM 0 HA ILE A 77 -13.536 -6.592 -17.133 1.00 12.10 H new ATOM 0 HB ILE A 77 -15.968 -8.424 -17.261 1.00 53.20 H new ATOM 0 HG12 ILE A 77 -15.876 -5.419 -16.867 1.00 31.14 H new ATOM 0 HG13 ILE A 77 -16.046 -6.157 -18.448 1.00 31.14 H new ATOM 0 HG21 ILE A 77 -16.460 -7.589 -14.996 1.00 41.15 H new ATOM 0 HG22 ILE A 77 -14.917 -8.474 -15.050 1.00 41.15 H new ATOM 0 HG23 ILE A 77 -14.921 -6.695 -14.995 1.00 41.15 H new ATOM 0 HD11 ILE A 77 -18.226 -5.513 -17.543 1.00 43.31 H new ATOM 0 HD12 ILE A 77 -18.119 -7.281 -17.716 1.00 43.31 H new ATOM 0 HD13 ILE A 77 -17.947 -6.531 -16.111 1.00 43.31 H new ATOM 1236 N ASP A 78 -12.538 -8.505 -15.830 1.00 33.52 N ATOM 1237 CA ASP A 78 -11.765 -9.577 -15.213 1.00 1.14 C ATOM 1238 C ASP A 78 -12.683 -10.589 -14.534 1.00 13.12 C ATOM 1239 O ASP A 78 -13.195 -10.343 -13.441 1.00 61.10 O ATOM 1240 CB ASP A 78 -10.779 -9.002 -14.195 1.00 52.53 C ATOM 1241 CG ASP A 78 -9.571 -9.894 -13.991 1.00 21.23 C ATOM 1242 OD1 ASP A 78 -9.317 -10.756 -14.859 1.00 4.41 O ATOM 1243 OD2 ASP A 78 -8.880 -9.732 -12.963 1.00 22.52 O ATOM 0 H ASP A 78 -12.464 -7.605 -15.356 1.00 33.52 H new ATOM 0 HA ASP A 78 -11.209 -10.088 -15.999 1.00 1.14 H new ATOM 0 HB2 ASP A 78 -10.448 -8.019 -14.529 1.00 52.53 H new ATOM 0 HB3 ASP A 78 -11.287 -8.860 -13.241 1.00 52.53 H new ATOM 1248 N TYR A 79 -12.889 -11.726 -15.189 1.00 21.33 N ATOM 1249 CA TYR A 79 -13.748 -12.773 -14.651 1.00 34.14 C ATOM 1250 C TYR A 79 -12.919 -13.878 -14.002 1.00 22.31 C ATOM 1251 O TYR A 79 -11.895 -14.301 -14.541 1.00 32.14 O ATOM 1252 CB TYR A 79 -14.625 -13.362 -15.757 1.00 55.44 C ATOM 1253 CG TYR A 79 -13.840 -14.043 -16.855 1.00 33.03 C ATOM 1254 CD1 TYR A 79 -13.455 -15.373 -16.737 1.00 34.23 C ATOM 1255 CD2 TYR A 79 -13.481 -13.358 -18.008 1.00 61.45 C ATOM 1256 CE1 TYR A 79 -12.738 -16.001 -17.736 1.00 23.11 C ATOM 1257 CE2 TYR A 79 -12.765 -13.978 -19.014 1.00 53.25 C ATOM 1258 CZ TYR A 79 -12.395 -15.299 -18.873 1.00 1.32 C ATOM 1259 OH TYR A 79 -11.680 -15.920 -19.871 1.00 41.20 O ATOM 0 H TYR A 79 -12.472 -11.946 -16.094 1.00 21.33 H new ATOM 0 HA TYR A 79 -14.387 -12.327 -13.889 1.00 34.14 H new ATOM 0 HB2 TYR A 79 -15.316 -14.081 -15.317 1.00 55.44 H new ATOM 0 HB3 TYR A 79 -15.228 -12.566 -16.193 1.00 55.44 H new ATOM 0 HD1 TYR A 79 -13.721 -15.925 -15.848 1.00 34.23 H new ATOM 0 HD2 TYR A 79 -13.766 -12.322 -18.121 1.00 61.45 H new ATOM 0 HE1 TYR A 79 -12.447 -17.036 -17.628 1.00 23.11 H new ATOM 0 HE2 TYR A 79 -12.497 -13.431 -19.906 1.00 53.25 H new ATOM 0 HH TYR A 79 -11.521 -15.287 -20.602 1.00 41.20 H new ATOM 1269 N THR A 80 -13.370 -14.344 -12.842 1.00 71.31 N ATOM 1270 CA THR A 80 -12.673 -15.400 -12.118 1.00 5.11 C ATOM 1271 C THR A 80 -13.564 -16.622 -11.935 1.00 11.01 C ATOM 1272 O THR A 80 -14.646 -16.533 -11.354 1.00 4.24 O ATOM 1273 CB THR A 80 -12.197 -14.913 -10.736 1.00 44.11 C ATOM 1274 OG1 THR A 80 -11.581 -15.991 -10.024 1.00 14.15 O ATOM 1275 CG2 THR A 80 -13.360 -14.361 -9.926 1.00 61.33 C ATOM 0 H THR A 80 -14.216 -14.006 -12.383 1.00 71.31 H new ATOM 0 HA THR A 80 -11.805 -15.674 -12.717 1.00 5.11 H new ATOM 0 HB THR A 80 -11.470 -14.115 -10.886 1.00 44.11 H new ATOM 0 HG1 THR A 80 -11.279 -15.674 -9.147 1.00 14.15 H new ATOM 0 HG21 THR A 80 -12.999 -14.024 -8.954 1.00 61.33 H new ATOM 0 HG22 THR A 80 -13.808 -13.522 -10.458 1.00 61.33 H new ATOM 0 HG23 THR A 80 -14.108 -15.142 -9.784 1.00 61.33 H new ATOM 1283 N VAL A 81 -13.102 -17.766 -12.432 1.00 65.12 N ATOM 1284 CA VAL A 81 -13.857 -19.008 -12.321 1.00 41.50 C ATOM 1285 C VAL A 81 -13.387 -19.831 -11.127 1.00 71.33 C ATOM 1286 O VAL A 81 -12.206 -20.162 -11.013 1.00 15.23 O ATOM 1287 CB VAL A 81 -13.730 -19.858 -13.599 1.00 22.40 C ATOM 1288 CG1 VAL A 81 -14.658 -21.061 -13.535 1.00 13.22 C ATOM 1289 CG2 VAL A 81 -14.021 -19.015 -14.831 1.00 13.35 C ATOM 0 H VAL A 81 -12.208 -17.858 -12.915 1.00 65.12 H new ATOM 0 HA VAL A 81 -14.902 -18.732 -12.180 1.00 41.50 H new ATOM 0 HB VAL A 81 -12.705 -20.223 -13.671 1.00 22.40 H new ATOM 0 HG11 VAL A 81 -14.554 -21.649 -14.447 1.00 13.22 H new ATOM 0 HG12 VAL A 81 -14.397 -21.676 -12.674 1.00 13.22 H new ATOM 0 HG13 VAL A 81 -15.689 -20.721 -13.438 1.00 13.22 H new ATOM 0 HG21 VAL A 81 -13.927 -19.632 -15.725 1.00 13.35 H new ATOM 0 HG22 VAL A 81 -15.034 -18.618 -14.769 1.00 13.35 H new ATOM 0 HG23 VAL A 81 -13.311 -18.190 -14.883 1.00 13.35 H new ATOM 1299 N LEU A 82 -14.319 -20.160 -10.239 1.00 14.10 N ATOM 1300 CA LEU A 82 -14.002 -20.946 -9.052 1.00 15.33 C ATOM 1301 C LEU A 82 -14.586 -22.351 -9.156 1.00 74.24 C ATOM 1302 O LEU A 82 -15.805 -22.526 -9.170 1.00 40.33 O ATOM 1303 CB LEU A 82 -14.536 -20.251 -7.798 1.00 4.41 C ATOM 1304 CG LEU A 82 -14.348 -21.006 -6.481 1.00 3.01 C ATOM 1305 CD1 LEU A 82 -12.878 -21.043 -6.092 1.00 34.41 C ATOM 1306 CD2 LEU A 82 -15.178 -20.367 -5.378 1.00 41.50 C ATOM 0 H LEU A 82 -15.301 -19.894 -10.319 1.00 14.10 H new ATOM 0 HA LEU A 82 -12.917 -21.028 -8.981 1.00 15.33 H new ATOM 0 HB2 LEU A 82 -14.049 -19.280 -7.710 1.00 4.41 H new ATOM 0 HB3 LEU A 82 -15.601 -20.062 -7.937 1.00 4.41 H new ATOM 0 HG LEU A 82 -14.691 -22.031 -6.619 1.00 3.01 H new ATOM 0 HD11 LEU A 82 -12.764 -21.584 -5.153 1.00 34.41 H new ATOM 0 HD12 LEU A 82 -12.308 -21.547 -6.873 1.00 34.41 H new ATOM 0 HD13 LEU A 82 -12.508 -20.025 -5.972 1.00 34.41 H new ATOM 0 HD21 LEU A 82 -15.032 -20.917 -4.448 1.00 41.50 H new ATOM 0 HD22 LEU A 82 -14.865 -19.332 -5.240 1.00 41.50 H new ATOM 0 HD23 LEU A 82 -16.232 -20.394 -5.654 1.00 41.50 H new ATOM 1318 N GLN A 83 -13.710 -23.347 -9.227 1.00 63.43 N ATOM 1319 CA GLN A 83 -14.141 -24.737 -9.330 1.00 1.52 C ATOM 1320 C GLN A 83 -14.107 -25.418 -7.966 1.00 72.01 C ATOM 1321 O GLN A 83 -13.298 -25.069 -7.106 1.00 51.33 O ATOM 1322 CB GLN A 83 -13.252 -25.498 -10.316 1.00 52.41 C ATOM 1323 CG GLN A 83 -13.003 -24.747 -11.615 1.00 35.14 C ATOM 1324 CD GLN A 83 -11.820 -23.804 -11.526 1.00 73.51 C ATOM 1325 OE1 GLN A 83 -11.216 -23.645 -10.466 1.00 33.23 O ATOM 1326 NE2 GLN A 83 -11.482 -23.172 -12.644 1.00 70.53 N ATOM 0 H GLN A 83 -12.698 -23.218 -9.215 1.00 63.43 H new ATOM 0 HA GLN A 83 -15.168 -24.747 -9.696 1.00 1.52 H new ATOM 0 HB2 GLN A 83 -12.295 -25.711 -9.840 1.00 52.41 H new ATOM 0 HB3 GLN A 83 -13.715 -26.458 -10.544 1.00 52.41 H new ATOM 0 HG2 GLN A 83 -12.832 -25.464 -12.418 1.00 35.14 H new ATOM 0 HG3 GLN A 83 -13.896 -24.180 -11.879 1.00 35.14 H new ATOM 0 HE21 GLN A 83 -12.011 -23.334 -13.501 1.00 70.53 H new ATOM 0 HE22 GLN A 83 -10.694 -22.525 -12.646 1.00 70.53 H new ATOM 1335 N ASP A 84 -14.990 -26.393 -7.774 1.00 43.25 N ATOM 1336 CA ASP A 84 -15.062 -27.124 -6.515 1.00 4.51 C ATOM 1337 C ASP A 84 -14.747 -28.602 -6.726 1.00 72.24 C ATOM 1338 O ASP A 84 -15.415 -29.283 -7.503 1.00 64.12 O ATOM 1339 CB ASP A 84 -16.448 -26.969 -5.888 1.00 3.01 C ATOM 1340 CG ASP A 84 -16.471 -27.376 -4.428 1.00 14.22 C ATOM 1341 OD1 ASP A 84 -16.350 -28.587 -4.148 1.00 33.04 O ATOM 1342 OD2 ASP A 84 -16.610 -26.484 -3.566 1.00 72.31 O ATOM 0 H ASP A 84 -15.666 -26.695 -8.476 1.00 43.25 H new ATOM 0 HA ASP A 84 -14.318 -26.705 -5.838 1.00 4.51 H new ATOM 0 HB2 ASP A 84 -16.771 -25.932 -5.978 1.00 3.01 H new ATOM 0 HB3 ASP A 84 -17.164 -27.575 -6.443 1.00 3.01 H new ATOM 1347 N ASN A 85 -13.725 -29.090 -6.031 1.00 52.41 N ATOM 1348 CA ASN A 85 -13.322 -30.487 -6.143 1.00 42.33 C ATOM 1349 C ASN A 85 -12.918 -30.822 -7.577 1.00 12.44 C ATOM 1350 O ASN A 85 -13.615 -31.543 -8.292 1.00 11.34 O ATOM 1351 CB ASN A 85 -14.459 -31.406 -5.693 1.00 65.45 C ATOM 1352 CG ASN A 85 -13.975 -32.803 -5.357 1.00 20.12 C ATOM 1353 OD1 ASN A 85 -12.771 -33.063 -5.321 1.00 73.11 O ATOM 1354 ND2 ASN A 85 -14.912 -33.709 -5.108 1.00 23.35 N ATOM 0 H ASN A 85 -13.161 -28.539 -5.384 1.00 52.41 H new ATOM 0 HA ASN A 85 -12.460 -30.644 -5.495 1.00 42.33 H new ATOM 0 HB2 ASN A 85 -14.948 -30.974 -4.820 1.00 65.45 H new ATOM 0 HB3 ASN A 85 -15.209 -31.464 -6.482 1.00 65.45 H new ATOM 0 HD21 ASN A 85 -14.647 -34.666 -4.875 1.00 23.35 H new ATOM 0 HD22 ASN A 85 -15.897 -33.448 -5.149 1.00 23.35 H new ATOM 1361 N PRO A 86 -11.765 -30.288 -8.006 1.00 31.22 N ATOM 1362 CA PRO A 86 -11.241 -30.518 -9.356 1.00 73.33 C ATOM 1363 C PRO A 86 -10.765 -31.953 -9.557 1.00 51.04 C ATOM 1364 O PRO A 86 -10.862 -32.780 -8.651 1.00 24.54 O ATOM 1365 CB PRO A 86 -10.063 -29.545 -9.450 1.00 34.43 C ATOM 1366 CG PRO A 86 -9.633 -29.334 -8.038 1.00 70.22 C ATOM 1367 CD PRO A 86 -10.884 -29.420 -7.208 1.00 24.11 C ATOM 0 HA PRO A 86 -12.002 -30.362 -10.121 1.00 73.33 H new ATOM 0 HB2 PRO A 86 -9.255 -29.959 -10.053 1.00 34.43 H new ATOM 0 HB3 PRO A 86 -10.361 -28.607 -9.918 1.00 34.43 H new ATOM 0 HG2 PRO A 86 -8.909 -30.090 -7.733 1.00 70.22 H new ATOM 0 HG3 PRO A 86 -9.150 -28.364 -7.918 1.00 70.22 H new ATOM 0 HD2 PRO A 86 -10.685 -29.845 -6.224 1.00 24.11 H new ATOM 0 HD3 PRO A 86 -11.327 -28.437 -7.047 1.00 24.11 H new ATOM 1375 N ARG A 87 -10.252 -32.240 -10.749 1.00 54.51 N ATOM 1376 CA ARG A 87 -9.762 -33.575 -11.068 1.00 63.02 C ATOM 1377 C ARG A 87 -8.845 -33.540 -12.288 1.00 51.14 C ATOM 1378 O ARG A 87 -9.011 -32.707 -13.180 1.00 23.13 O ATOM 1379 CB ARG A 87 -10.935 -34.523 -11.325 1.00 5.31 C ATOM 1380 CG ARG A 87 -10.578 -35.991 -11.156 1.00 61.34 C ATOM 1381 CD ARG A 87 -11.821 -36.866 -11.125 1.00 51.13 C ATOM 1382 NE ARG A 87 -11.549 -38.222 -11.594 1.00 5.03 N ATOM 1383 CZ ARG A 87 -10.995 -39.164 -10.838 1.00 23.21 C ATOM 1384 NH1 ARG A 87 -10.657 -38.899 -9.584 1.00 50.55 N ATOM 1385 NH2 ARG A 87 -10.778 -40.374 -11.337 1.00 13.14 N ATOM 0 H ARG A 87 -10.165 -31.566 -11.509 1.00 54.51 H new ATOM 0 HA ARG A 87 -9.189 -33.939 -10.215 1.00 63.02 H new ATOM 0 HB2 ARG A 87 -11.748 -34.275 -10.643 1.00 5.31 H new ATOM 0 HB3 ARG A 87 -11.307 -34.362 -12.337 1.00 5.31 H new ATOM 0 HG2 ARG A 87 -9.930 -36.306 -11.974 1.00 61.34 H new ATOM 0 HG3 ARG A 87 -10.014 -36.126 -10.233 1.00 61.34 H new ATOM 0 HD2 ARG A 87 -12.211 -36.906 -10.108 1.00 51.13 H new ATOM 0 HD3 ARG A 87 -12.596 -36.417 -11.746 1.00 51.13 H new ATOM 0 HE ARG A 87 -11.798 -38.459 -12.554 1.00 5.03 H new ATOM 0 HH11 ARG A 87 -10.822 -37.970 -9.197 1.00 50.55 H new ATOM 0 HH12 ARG A 87 -10.232 -39.624 -9.006 1.00 50.55 H new ATOM 0 HH21 ARG A 87 -11.036 -40.582 -12.302 1.00 13.14 H new ATOM 0 HH22 ARG A 87 -10.353 -41.096 -10.756 1.00 13.14 H new ATOM 1399 N THR A 88 -7.877 -34.451 -12.320 1.00 53.13 N ATOM 1400 CA THR A 88 -6.933 -34.523 -13.428 1.00 21.11 C ATOM 1401 C THR A 88 -7.660 -34.606 -14.765 1.00 44.43 C ATOM 1402 O THR A 88 -8.364 -35.576 -15.041 1.00 33.14 O ATOM 1403 CB THR A 88 -5.997 -35.739 -13.290 1.00 53.23 C ATOM 1404 OG1 THR A 88 -5.387 -35.743 -11.994 1.00 74.20 O ATOM 1405 CG2 THR A 88 -4.920 -35.718 -14.363 1.00 43.13 C ATOM 0 H THR A 88 -7.727 -35.149 -11.591 1.00 53.13 H new ATOM 0 HA THR A 88 -6.338 -33.610 -13.397 1.00 21.11 H new ATOM 0 HB THR A 88 -6.592 -36.644 -13.414 1.00 53.23 H new ATOM 0 HG1 THR A 88 -4.795 -36.520 -11.914 1.00 74.20 H new ATOM 0 HG21 THR A 88 -4.272 -36.586 -14.245 1.00 43.13 H new ATOM 0 HG22 THR A 88 -5.387 -35.745 -15.348 1.00 43.13 H new ATOM 0 HG23 THR A 88 -4.328 -34.808 -14.267 1.00 43.13 H new ATOM 1413 N ILE A 89 -7.484 -33.581 -15.592 1.00 62.34 N ATOM 1414 CA ILE A 89 -8.123 -33.539 -16.902 1.00 42.23 C ATOM 1415 C ILE A 89 -7.487 -34.544 -17.857 1.00 14.23 C ATOM 1416 O ILE A 89 -6.541 -35.245 -17.496 1.00 44.12 O ATOM 1417 CB ILE A 89 -8.038 -32.132 -17.525 1.00 30.33 C ATOM 1418 CG1 ILE A 89 -6.682 -31.934 -18.205 1.00 45.12 C ATOM 1419 CG2 ILE A 89 -8.265 -31.067 -16.462 1.00 23.53 C ATOM 1420 CD1 ILE A 89 -5.504 -32.208 -17.298 1.00 12.21 C ATOM 0 H ILE A 89 -6.905 -32.769 -15.379 1.00 62.34 H new ATOM 0 HA ILE A 89 -9.171 -33.798 -16.750 1.00 42.23 H new ATOM 0 HB ILE A 89 -8.819 -32.036 -18.279 1.00 30.33 H new ATOM 0 HG12 ILE A 89 -6.621 -32.590 -19.073 1.00 45.12 H new ATOM 0 HG13 ILE A 89 -6.616 -30.910 -18.573 1.00 45.12 H new ATOM 0 HG21 ILE A 89 -8.202 -30.079 -16.918 1.00 23.53 H new ATOM 0 HG22 ILE A 89 -9.252 -31.200 -16.019 1.00 23.53 H new ATOM 0 HG23 ILE A 89 -7.504 -31.158 -15.687 1.00 23.53 H new ATOM 0 HD11 ILE A 89 -4.577 -32.047 -17.848 1.00 12.21 H new ATOM 0 HD12 ILE A 89 -5.540 -31.534 -16.442 1.00 12.21 H new ATOM 0 HD13 ILE A 89 -5.545 -33.240 -16.950 1.00 12.21 H new ATOM 1432 N VAL A 90 -8.013 -34.609 -19.075 1.00 62.30 N ATOM 1433 CA VAL A 90 -7.495 -35.527 -20.083 1.00 34.13 C ATOM 1434 C VAL A 90 -8.229 -35.358 -21.409 1.00 3.23 C ATOM 1435 O VAL A 90 -9.101 -36.149 -21.770 1.00 5.23 O ATOM 1436 CB VAL A 90 -7.618 -36.993 -19.624 1.00 11.41 C ATOM 1437 CG1 VAL A 90 -9.046 -37.301 -19.200 1.00 13.51 C ATOM 1438 CG2 VAL A 90 -7.165 -37.935 -20.728 1.00 33.43 C ATOM 0 H VAL A 90 -8.797 -34.037 -19.388 1.00 62.30 H new ATOM 0 HA VAL A 90 -6.441 -35.284 -20.220 1.00 34.13 H new ATOM 0 HB VAL A 90 -6.969 -37.143 -18.761 1.00 11.41 H new ATOM 0 HG11 VAL A 90 -9.114 -38.340 -18.879 1.00 13.51 H new ATOM 0 HG12 VAL A 90 -9.330 -36.647 -18.375 1.00 13.51 H new ATOM 0 HG13 VAL A 90 -9.719 -37.136 -20.041 1.00 13.51 H new ATOM 0 HG21 VAL A 90 -7.258 -38.966 -20.387 1.00 33.43 H new ATOM 0 HG22 VAL A 90 -7.787 -37.787 -21.611 1.00 33.43 H new ATOM 0 HG23 VAL A 90 -6.124 -37.728 -20.978 1.00 33.43 H new ATOM 1448 N PRO A 91 -7.868 -34.303 -22.154 1.00 0.45 N ATOM 1449 CA PRO A 91 -8.479 -34.005 -23.453 1.00 72.32 C ATOM 1450 C PRO A 91 -8.088 -35.019 -24.523 1.00 52.12 C ATOM 1451 O PRO A 91 -7.384 -35.990 -24.246 1.00 34.11 O ATOM 1452 CB PRO A 91 -7.922 -32.622 -23.798 1.00 52.33 C ATOM 1453 CG PRO A 91 -6.635 -32.535 -23.053 1.00 74.13 C ATOM 1454 CD PRO A 91 -6.836 -33.319 -21.786 1.00 4.22 C ATOM 0 HA PRO A 91 -9.568 -34.042 -23.410 1.00 72.32 H new ATOM 0 HB2 PRO A 91 -7.766 -32.515 -24.871 1.00 52.33 H new ATOM 0 HB3 PRO A 91 -8.609 -31.832 -23.495 1.00 52.33 H new ATOM 0 HG2 PRO A 91 -5.815 -32.947 -23.641 1.00 74.13 H new ATOM 0 HG3 PRO A 91 -6.380 -31.498 -22.834 1.00 74.13 H new ATOM 0 HD2 PRO A 91 -5.915 -33.804 -21.463 1.00 4.22 H new ATOM 0 HD3 PRO A 91 -7.164 -32.680 -20.966 1.00 4.22 H new ATOM 1462 N LYS A 92 -8.548 -34.786 -25.747 1.00 62.42 N ATOM 1463 CA LYS A 92 -8.245 -35.677 -26.862 1.00 34.23 C ATOM 1464 C LYS A 92 -8.500 -34.986 -28.197 1.00 53.03 C ATOM 1465 O LYS A 92 -9.594 -34.477 -28.444 1.00 45.33 O ATOM 1466 CB LYS A 92 -9.088 -36.951 -26.766 1.00 12.01 C ATOM 1467 CG LYS A 92 -8.537 -38.108 -27.581 1.00 65.13 C ATOM 1468 CD LYS A 92 -9.223 -39.416 -27.228 1.00 21.04 C ATOM 1469 CE LYS A 92 -10.669 -39.433 -27.698 1.00 62.43 C ATOM 1470 NZ LYS A 92 -11.386 -40.657 -27.244 1.00 1.01 N ATOM 0 H LYS A 92 -9.133 -33.987 -25.993 1.00 62.42 H new ATOM 0 HA LYS A 92 -7.189 -35.941 -26.806 1.00 34.23 H new ATOM 0 HB2 LYS A 92 -9.156 -37.254 -25.721 1.00 12.01 H new ATOM 0 HB3 LYS A 92 -10.102 -36.732 -27.101 1.00 12.01 H new ATOM 0 HG2 LYS A 92 -8.670 -37.902 -28.643 1.00 65.13 H new ATOM 0 HG3 LYS A 92 -7.465 -38.200 -27.406 1.00 65.13 H new ATOM 0 HD2 LYS A 92 -8.682 -40.246 -27.683 1.00 21.04 H new ATOM 0 HD3 LYS A 92 -9.189 -39.566 -26.149 1.00 21.04 H new ATOM 0 HE2 LYS A 92 -11.184 -38.550 -27.320 1.00 62.43 H new ATOM 0 HE3 LYS A 92 -10.698 -39.378 -28.786 1.00 62.43 H new ATOM 0 HZ1 LYS A 92 -12.368 -40.630 -27.585 1.00 1.01 H new ATOM 0 HZ2 LYS A 92 -10.910 -41.500 -27.625 1.00 1.01 H new ATOM 0 HZ3 LYS A 92 -11.381 -40.697 -26.205 1.00 1.01 H new ATOM 1484 N SER A 93 -7.485 -34.971 -29.054 1.00 60.44 N ATOM 1485 CA SER A 93 -7.599 -34.340 -30.363 1.00 62.45 C ATOM 1486 C SER A 93 -7.030 -35.243 -31.454 1.00 21.21 C ATOM 1487 O SER A 93 -6.558 -36.346 -31.178 1.00 4.32 O ATOM 1488 CB SER A 93 -6.874 -32.993 -30.370 1.00 24.35 C ATOM 1489 OG SER A 93 -7.276 -32.202 -31.474 1.00 5.34 O ATOM 0 H SER A 93 -6.574 -35.389 -28.865 1.00 60.44 H new ATOM 0 HA SER A 93 -8.657 -34.175 -30.567 1.00 62.45 H new ATOM 0 HB2 SER A 93 -7.082 -32.460 -29.442 1.00 24.35 H new ATOM 0 HB3 SER A 93 -5.797 -33.157 -30.409 1.00 24.35 H new ATOM 0 HG SER A 93 -6.799 -31.346 -31.454 1.00 5.34 H new ATOM 1495 N TYR A 94 -7.077 -34.767 -32.693 1.00 54.44 N ATOM 1496 CA TYR A 94 -6.569 -35.530 -33.826 1.00 23.11 C ATOM 1497 C TYR A 94 -6.140 -34.604 -34.960 1.00 10.31 C ATOM 1498 O TYR A 94 -6.971 -33.948 -35.588 1.00 45.40 O ATOM 1499 CB TYR A 94 -7.632 -36.509 -34.327 1.00 41.14 C ATOM 1500 CG TYR A 94 -7.775 -37.742 -33.465 1.00 11.14 C ATOM 1501 CD1 TYR A 94 -6.822 -38.753 -33.501 1.00 45.22 C ATOM 1502 CD2 TYR A 94 -8.862 -37.898 -32.613 1.00 61.23 C ATOM 1503 CE1 TYR A 94 -6.948 -39.882 -32.715 1.00 23.22 C ATOM 1504 CE2 TYR A 94 -8.995 -39.023 -31.823 1.00 75.50 C ATOM 1505 CZ TYR A 94 -8.036 -40.012 -31.878 1.00 34.41 C ATOM 1506 OH TYR A 94 -8.166 -41.136 -31.093 1.00 52.24 O ATOM 0 H TYR A 94 -7.462 -33.855 -32.938 1.00 54.44 H new ATOM 0 HA TYR A 94 -5.697 -36.091 -33.490 1.00 23.11 H new ATOM 0 HB2 TYR A 94 -8.593 -35.996 -34.374 1.00 41.14 H new ATOM 0 HB3 TYR A 94 -7.383 -36.814 -35.343 1.00 41.14 H new ATOM 0 HD1 TYR A 94 -5.968 -38.654 -34.155 1.00 45.22 H new ATOM 0 HD2 TYR A 94 -9.616 -37.126 -32.568 1.00 61.23 H new ATOM 0 HE1 TYR A 94 -6.198 -40.659 -32.756 1.00 23.22 H new ATOM 0 HE2 TYR A 94 -9.846 -39.127 -31.166 1.00 75.50 H new ATOM 0 HH TYR A 94 -8.987 -41.071 -30.561 1.00 52.24 H new ATOM 1516 N ALA A 95 -4.837 -34.556 -35.215 1.00 41.53 N ATOM 1517 CA ALA A 95 -4.297 -33.712 -36.274 1.00 3.10 C ATOM 1518 C ALA A 95 -4.446 -34.379 -37.637 1.00 44.13 C ATOM 1519 O ALA A 95 -4.374 -35.603 -37.751 1.00 42.20 O ATOM 1520 CB ALA A 95 -2.834 -33.391 -35.998 1.00 75.52 C ATOM 0 H ALA A 95 -4.136 -35.091 -34.703 1.00 41.53 H new ATOM 0 HA ALA A 95 -4.865 -32.782 -36.290 1.00 3.10 H new ATOM 0 HB1 ALA A 95 -2.443 -32.760 -36.796 1.00 75.52 H new ATOM 0 HB2 ALA A 95 -2.750 -32.866 -35.047 1.00 75.52 H new ATOM 0 HB3 ALA A 95 -2.261 -34.317 -35.953 1.00 75.52 H new ATOM 1526 N ASP A 96 -4.657 -33.567 -38.667 1.00 64.13 N ATOM 1527 CA ASP A 96 -4.816 -34.079 -40.023 1.00 40.00 C ATOM 1528 C ASP A 96 -4.207 -33.119 -41.041 1.00 21.42 C ATOM 1529 O ASP A 96 -4.193 -31.907 -40.835 1.00 44.12 O ATOM 1530 CB ASP A 96 -6.297 -34.301 -40.336 1.00 51.33 C ATOM 1531 CG ASP A 96 -6.506 -35.224 -41.520 1.00 72.35 C ATOM 1532 OD1 ASP A 96 -6.380 -36.453 -41.344 1.00 24.51 O ATOM 1533 OD2 ASP A 96 -6.795 -34.716 -42.625 1.00 33.00 O ATOM 0 H ASP A 96 -4.722 -32.552 -38.589 1.00 64.13 H new ATOM 0 HA ASP A 96 -4.291 -35.032 -40.090 1.00 40.00 H new ATOM 0 HB2 ASP A 96 -6.792 -34.721 -39.460 1.00 51.33 H new ATOM 0 HB3 ASP A 96 -6.770 -33.341 -40.540 1.00 51.33 H new ATOM 1538 N ASN A 97 -3.704 -33.672 -42.140 1.00 24.05 N ATOM 1539 CA ASN A 97 -3.090 -32.867 -43.189 1.00 40.22 C ATOM 1540 C ASN A 97 -4.062 -32.650 -44.345 1.00 40.04 C ATOM 1541 O ASN A 97 -3.809 -33.079 -45.471 1.00 72.02 O ATOM 1542 CB ASN A 97 -1.815 -33.539 -43.700 1.00 23.13 C ATOM 1543 CG ASN A 97 -1.030 -32.650 -44.645 1.00 31.20 C ATOM 1544 OD1 ASN A 97 -1.194 -32.724 -45.864 1.00 15.31 O ATOM 1545 ND2 ASN A 97 -0.171 -31.805 -44.087 1.00 74.23 N ATOM 0 H ASN A 97 -3.710 -34.675 -42.327 1.00 24.05 H new ATOM 0 HA ASN A 97 -2.834 -31.897 -42.764 1.00 40.22 H new ATOM 0 HB2 ASN A 97 -1.185 -33.809 -42.852 1.00 23.13 H new ATOM 0 HB3 ASN A 97 -2.076 -34.466 -44.211 1.00 23.13 H new ATOM 0 HD21 ASN A 97 0.386 -31.183 -44.673 1.00 74.23 H new ATOM 0 HD22 ASN A 97 -0.068 -31.778 -43.073 1.00 74.23 H new ATOM 1552 N PHE A 98 -5.174 -31.979 -44.060 1.00 4.43 N ATOM 1553 CA PHE A 98 -6.183 -31.705 -45.075 1.00 73.30 C ATOM 1554 C PHE A 98 -5.820 -30.461 -45.881 1.00 32.32 C ATOM 1555 O PHE A 98 -6.167 -29.341 -45.507 1.00 50.20 O ATOM 1556 CB PHE A 98 -7.556 -31.522 -44.424 1.00 4.24 C ATOM 1557 CG PHE A 98 -8.702 -31.728 -45.372 1.00 41.21 C ATOM 1558 CD1 PHE A 98 -9.163 -30.685 -46.159 1.00 11.12 C ATOM 1559 CD2 PHE A 98 -9.318 -32.964 -45.476 1.00 41.14 C ATOM 1560 CE1 PHE A 98 -10.218 -30.870 -47.033 1.00 22.50 C ATOM 1561 CE2 PHE A 98 -10.373 -33.156 -46.349 1.00 44.13 C ATOM 1562 CZ PHE A 98 -10.824 -32.108 -47.127 1.00 23.21 C ATOM 0 H PHE A 98 -5.398 -31.615 -43.134 1.00 4.43 H new ATOM 0 HA PHE A 98 -6.221 -32.558 -45.753 1.00 73.30 H new ATOM 0 HB2 PHE A 98 -7.652 -32.222 -43.594 1.00 4.24 H new ATOM 0 HB3 PHE A 98 -7.619 -30.518 -44.004 1.00 4.24 H new ATOM 0 HD1 PHE A 98 -8.692 -29.715 -46.089 1.00 11.12 H new ATOM 0 HD2 PHE A 98 -8.971 -33.787 -44.869 1.00 41.14 H new ATOM 0 HE1 PHE A 98 -10.568 -30.049 -47.641 1.00 22.50 H new ATOM 0 HE2 PHE A 98 -10.844 -34.125 -46.422 1.00 44.13 H new ATOM 0 HZ PHE A 98 -11.649 -32.256 -47.808 1.00 23.21 H new ATOM 1572 N THR A 99 -5.119 -30.667 -46.992 1.00 13.34 N ATOM 1573 CA THR A 99 -4.707 -29.564 -47.851 1.00 4.15 C ATOM 1574 C THR A 99 -4.982 -29.876 -49.317 1.00 73.11 C ATOM 1575 O THR A 99 -4.437 -30.829 -49.873 1.00 72.34 O ATOM 1576 CB THR A 99 -3.209 -29.247 -47.678 1.00 12.21 C ATOM 1577 OG1 THR A 99 -2.481 -30.451 -47.414 1.00 64.20 O ATOM 1578 CG2 THR A 99 -2.993 -28.258 -46.542 1.00 45.15 C ATOM 0 H THR A 99 -4.825 -31.588 -47.318 1.00 13.34 H new ATOM 0 HA THR A 99 -5.292 -28.695 -47.552 1.00 4.15 H new ATOM 0 HB THR A 99 -2.846 -28.799 -48.603 1.00 12.21 H new ATOM 0 HG1 THR A 99 -1.530 -30.241 -47.307 1.00 64.20 H new ATOM 0 HG21 THR A 99 -1.928 -28.049 -46.439 1.00 45.15 H new ATOM 0 HG22 THR A 99 -3.525 -27.332 -46.760 1.00 45.15 H new ATOM 0 HG23 THR A 99 -3.371 -28.683 -45.612 1.00 45.15 H new ATOM 1586 N LYS A 100 -5.833 -29.067 -49.939 1.00 50.41 N ATOM 1587 CA LYS A 100 -6.181 -29.255 -51.343 1.00 43.44 C ATOM 1588 C LYS A 100 -5.793 -28.031 -52.168 1.00 51.23 C ATOM 1589 O LYS A 100 -6.644 -27.286 -52.655 1.00 1.21 O ATOM 1590 CB LYS A 100 -7.681 -29.525 -51.486 1.00 3.04 C ATOM 1591 CG LYS A 100 -8.191 -30.621 -50.567 1.00 21.34 C ATOM 1592 CD LYS A 100 -7.657 -31.985 -50.976 1.00 72.11 C ATOM 1593 CE LYS A 100 -8.453 -32.571 -52.132 1.00 24.34 C ATOM 1594 NZ LYS A 100 -7.965 -33.926 -52.509 1.00 21.34 N ATOM 0 H LYS A 100 -6.295 -28.274 -49.493 1.00 50.41 H new ATOM 0 HA LYS A 100 -5.626 -30.115 -51.718 1.00 43.44 H new ATOM 0 HB2 LYS A 100 -8.229 -28.605 -51.280 1.00 3.04 H new ATOM 0 HB3 LYS A 100 -7.896 -29.799 -52.519 1.00 3.04 H new ATOM 0 HG2 LYS A 100 -7.893 -30.405 -49.541 1.00 21.34 H new ATOM 0 HG3 LYS A 100 -9.281 -30.635 -50.586 1.00 21.34 H new ATOM 0 HD2 LYS A 100 -6.609 -31.896 -51.263 1.00 72.11 H new ATOM 0 HD3 LYS A 100 -7.698 -32.663 -50.124 1.00 72.11 H new ATOM 0 HE2 LYS A 100 -9.506 -32.628 -51.856 1.00 24.34 H new ATOM 0 HE3 LYS A 100 -8.384 -31.907 -52.994 1.00 24.34 H new ATOM 0 HZ1 LYS A 100 -8.532 -34.292 -53.300 1.00 21.34 H new ATOM 0 HZ2 LYS A 100 -6.967 -33.868 -52.796 1.00 21.34 H new ATOM 0 HZ3 LYS A 100 -8.054 -34.566 -51.694 1.00 21.34 H new ATOM 1608 N PRO A 101 -4.479 -27.818 -52.331 1.00 13.32 N ATOM 1609 CA PRO A 101 -3.950 -26.687 -53.098 1.00 64.13 C ATOM 1610 C PRO A 101 -4.212 -26.829 -54.594 1.00 53.34 C ATOM 1611 O PRO A 101 -3.662 -27.713 -55.250 1.00 31.25 O ATOM 1612 CB PRO A 101 -2.447 -26.736 -52.812 1.00 23.24 C ATOM 1613 CG PRO A 101 -2.173 -28.161 -52.471 1.00 13.41 C ATOM 1614 CD PRO A 101 -3.409 -28.666 -51.779 1.00 54.53 C ATOM 0 HA PRO A 101 -4.421 -25.746 -52.814 1.00 64.13 H new ATOM 0 HB2 PRO A 101 -1.868 -26.418 -53.679 1.00 23.24 H new ATOM 0 HB3 PRO A 101 -2.179 -26.073 -51.989 1.00 23.24 H new ATOM 0 HG2 PRO A 101 -1.962 -28.743 -53.368 1.00 13.41 H new ATOM 0 HG3 PRO A 101 -1.301 -28.247 -51.823 1.00 13.41 H new ATOM 0 HD2 PRO A 101 -3.584 -29.721 -51.988 1.00 54.53 H new ATOM 0 HD3 PRO A 101 -3.334 -28.564 -50.696 1.00 54.53 H new ATOM 1622 N ARG A 102 -5.055 -25.951 -55.128 1.00 60.32 N ATOM 1623 CA ARG A 102 -5.391 -25.979 -56.547 1.00 13.24 C ATOM 1624 C ARG A 102 -4.964 -24.684 -57.232 1.00 13.42 C ATOM 1625 O ARG A 102 -5.745 -23.738 -57.335 1.00 33.02 O ATOM 1626 CB ARG A 102 -6.893 -26.196 -56.733 1.00 55.41 C ATOM 1627 CG ARG A 102 -7.253 -26.874 -58.044 1.00 23.01 C ATOM 1628 CD ARG A 102 -7.145 -25.913 -59.217 1.00 51.41 C ATOM 1629 NE ARG A 102 -5.806 -25.908 -59.800 1.00 22.42 N ATOM 1630 CZ ARG A 102 -5.373 -24.974 -60.639 1.00 24.53 C ATOM 1631 NH1 ARG A 102 -6.168 -23.975 -60.992 1.00 44.23 N ATOM 1632 NH2 ARG A 102 -4.140 -25.040 -61.128 1.00 73.33 N ATOM 0 H ARG A 102 -5.518 -25.211 -54.600 1.00 60.32 H new ATOM 0 HA ARG A 102 -4.852 -26.808 -57.006 1.00 13.24 H new ATOM 0 HB2 ARG A 102 -7.269 -26.799 -55.907 1.00 55.41 H new ATOM 0 HB3 ARG A 102 -7.400 -25.232 -56.681 1.00 55.41 H new ATOM 0 HG2 ARG A 102 -6.592 -27.725 -58.208 1.00 23.01 H new ATOM 0 HG3 ARG A 102 -8.269 -27.265 -57.985 1.00 23.01 H new ATOM 0 HD2 ARG A 102 -7.872 -26.190 -59.981 1.00 51.41 H new ATOM 0 HD3 ARG A 102 -7.400 -24.906 -58.885 1.00 51.41 H new ATOM 0 HE ARG A 102 -5.168 -26.663 -59.549 1.00 22.42 H new ATOM 0 HH11 ARG A 102 -7.116 -23.921 -60.619 1.00 44.23 H new ATOM 0 HH12 ARG A 102 -5.832 -23.259 -61.637 1.00 44.23 H new ATOM 0 HH21 ARG A 102 -3.525 -25.808 -60.859 1.00 73.33 H new ATOM 0 HH22 ARG A 102 -3.808 -24.322 -61.772 1.00 73.33 H new ATOM 1646 N ASP A 103 -3.721 -24.649 -57.697 1.00 41.11 N ATOM 1647 CA ASP A 103 -3.190 -23.471 -58.373 1.00 2.34 C ATOM 1648 C ASP A 103 -1.872 -23.792 -59.070 1.00 10.45 C ATOM 1649 O ASP A 103 -1.197 -24.762 -58.727 1.00 21.13 O ATOM 1650 CB ASP A 103 -2.989 -22.330 -57.374 1.00 31.23 C ATOM 1651 CG ASP A 103 -1.770 -22.538 -56.496 1.00 20.12 C ATOM 1652 OD1 ASP A 103 -0.660 -22.159 -56.923 1.00 72.33 O ATOM 1653 OD2 ASP A 103 -1.926 -23.081 -55.382 1.00 34.43 O ATOM 0 H ASP A 103 -3.061 -25.423 -57.618 1.00 41.11 H new ATOM 0 HA ASP A 103 -3.912 -23.159 -59.127 1.00 2.34 H new ATOM 0 HB2 ASP A 103 -2.887 -21.390 -57.916 1.00 31.23 H new ATOM 0 HB3 ASP A 103 -3.875 -22.241 -56.746 1.00 31.23 H new ATOM 1658 N MET A 104 -1.511 -22.970 -60.051 1.00 1.32 N ATOM 1659 CA MET A 104 -0.272 -23.167 -60.795 1.00 53.42 C ATOM 1660 C MET A 104 0.786 -22.155 -60.368 1.00 50.30 C ATOM 1661 O MET A 104 0.467 -21.014 -60.030 1.00 4.04 O ATOM 1662 CB MET A 104 -0.532 -23.047 -62.298 1.00 4.10 C ATOM 1663 CG MET A 104 0.584 -23.622 -63.155 1.00 63.22 C ATOM 1664 SD MET A 104 0.448 -23.140 -64.887 1.00 73.42 S ATOM 1665 CE MET A 104 2.065 -22.423 -65.168 1.00 34.04 C ATOM 0 H MET A 104 -2.058 -22.162 -60.349 1.00 1.32 H new ATOM 0 HA MET A 104 0.100 -24.168 -60.576 1.00 53.42 H new ATOM 0 HB2 MET A 104 -1.464 -23.558 -62.539 1.00 4.10 H new ATOM 0 HB3 MET A 104 -0.669 -21.996 -62.552 1.00 4.10 H new ATOM 0 HG2 MET A 104 1.545 -23.289 -62.764 1.00 63.22 H new ATOM 0 HG3 MET A 104 0.569 -24.709 -63.082 1.00 63.22 H new ATOM 0 HE1 MET A 104 2.135 -22.077 -66.199 1.00 34.04 H new ATOM 0 HE2 MET A 104 2.212 -21.581 -64.492 1.00 34.04 H new ATOM 0 HE3 MET A 104 2.833 -23.174 -64.984 1.00 34.04 H new TER 1675 MET A 104