USER MOD reduce.3.24.130724 H: found=0, std=0, add=965, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 965 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 66 HIS : no HD1:sc= 0 K(o=-0.041,f=1.3) USER MOD Set 1.2: A 70 ASN : amide:sc= -0.0411 K(o=-0.041,f=1.3) USER MOD Set 2.1: A 43 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 47 HIS : no HD1:sc= -0.0691 X(o=-0.8,f=-0.7) USER MOD Set 2.3: A 69 MET CE :methyl -172:sc= -0.731 (180deg=-1.07) USER MOD Set 3.1: A 23 ASN : amide:sc= 0.387 K(o=1.2,f=-4.4) USER MOD Set 3.2: A 91 LYS NZ :NH3+ -164:sc= 0.807 (180deg=-0.57) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -168:sc= -0.0273 (180deg=-0.204) USER MOD Single : A 3 SER OG : rot 42:sc= 0.397 USER MOD Single : A 4 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 5 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0181) USER MOD Single : A 10 LYS NZ :NH3+ 149:sc= 0.977 (180deg=0.388) USER MOD Single : A 12 THR OG1 : rot -61:sc= 0.896 USER MOD Single : A 16 LYS NZ :NH3+ -148:sc= 0.456 (180deg=-0.299) USER MOD Single : A 20 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 21 ASN : amide:sc= -1.62 K(o=-1.6,f=-0.0056) USER MOD Single : A 27 LYS NZ :NH3+ 173:sc= 0.18 (180deg=0.0269) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 ASN : amide:sc= 0 X(o=0,f=-0.18) USER MOD Single : A 36 MET CE :methyl 156:sc= -0.862 (180deg=-2.49!) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 ASN : amide:sc= -2.05 K(o=-2.1,f=-0.62) USER MOD Single : A 41 LYS NZ :NH3+ -175:sc= 0.327 (180deg=0.305) USER MOD Single : A 48 THR OG1 : rot 65:sc= 0.207 USER MOD Single : A 49 MET CE :methyl 176:sc= -3.27 (180deg=-3.5!) USER MOD Single : A 50 LYS NZ :NH3+ -170:sc= 0.634 (180deg=0.553) USER MOD Single : A 53 THR OG1 : rot -79:sc= -2.09! USER MOD Single : A 55 THR OG1 : rot -23:sc= 0.0595 USER MOD Single : A 56 MET CE :methyl 157:sc= 0 (180deg=-0.528) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 THR OG1 : rot -77:sc= 1.14 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 MET CE :methyl -151:sc= -0.0914 (180deg=-0.94) USER MOD Single : A 77 ASN : amide:sc= -2.52 K(o=-2.5,f=-5.3!) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 LYS NZ :NH3+ -135:sc= -1.7! (180deg=-3.66!) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 MET CE :methyl 171:sc= -0.0185 (180deg=-0.175) USER MOD Single : A 98 THR OG1 : rot 122:sc= -0.86 USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 LYS NZ :NH3+ -146:sc= 0.0779 (180deg=-0.931) USER MOD Single : A 106 SER OG : rot 150:sc= 0 USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD Single : A 109 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -19.421 9.873 22.483 1.00 11.02 N ATOM 2 CA MET A 1 -18.823 8.865 21.573 1.00 34.21 C ATOM 3 C MET A 1 -17.483 9.399 21.001 1.00 43.13 C ATOM 4 O MET A 1 -17.478 10.312 20.167 1.00 24.54 O ATOM 5 CB MET A 1 -19.808 8.521 20.419 1.00 62.12 C ATOM 6 CG MET A 1 -21.196 8.046 20.868 1.00 4.14 C ATOM 7 SD MET A 1 -22.301 7.756 19.467 1.00 64.04 S ATOM 8 CE MET A 1 -23.853 7.401 20.293 1.00 12.35 C ATOM 0 H1 MET A 1 -20.202 9.440 23.016 1.00 11.02 H new ATOM 0 H2 MET A 1 -18.697 10.215 23.146 1.00 11.02 H new ATOM 0 H3 MET A 1 -19.785 10.672 21.925 1.00 11.02 H new ATOM 0 HA MET A 1 -18.627 7.954 22.138 1.00 34.21 H new ATOM 0 HB2 MET A 1 -19.929 9.403 19.790 1.00 62.12 H new ATOM 0 HB3 MET A 1 -19.359 7.746 19.798 1.00 62.12 H new ATOM 0 HG2 MET A 1 -21.095 7.127 21.446 1.00 4.14 H new ATOM 0 HG3 MET A 1 -21.638 8.792 21.529 1.00 4.14 H new ATOM 0 HE1 MET A 1 -24.624 7.203 19.549 1.00 12.35 H new ATOM 0 HE2 MET A 1 -23.733 6.527 20.933 1.00 12.35 H new ATOM 0 HE3 MET A 1 -24.146 8.257 20.900 1.00 12.35 H new ATOM 20 N GLY A 2 -16.354 8.844 21.485 1.00 23.11 N ATOM 21 CA GLY A 2 -15.006 9.230 21.023 1.00 54.31 C ATOM 22 C GLY A 2 -14.308 8.104 20.259 1.00 34.15 C ATOM 23 O GLY A 2 -14.853 7.601 19.272 1.00 74.33 O ATOM 0 H GLY A 2 -16.350 8.120 22.203 1.00 23.11 H new ATOM 0 HA2 GLY A 2 -15.082 10.108 20.382 1.00 54.31 H new ATOM 0 HA3 GLY A 2 -14.398 9.514 21.882 1.00 54.31 H new ATOM 27 N SER A 3 -13.113 7.696 20.726 1.00 31.51 N ATOM 28 CA SER A 3 -12.274 6.676 20.047 1.00 14.42 C ATOM 29 C SER A 3 -12.901 5.257 20.101 1.00 75.20 C ATOM 30 O SER A 3 -12.799 4.550 21.114 1.00 42.31 O ATOM 31 CB SER A 3 -10.854 6.673 20.664 1.00 43.21 C ATOM 32 OG SER A 3 -10.899 6.430 22.064 1.00 43.43 O ATOM 0 H SER A 3 -12.697 8.060 21.583 1.00 31.51 H new ATOM 0 HA SER A 3 -12.213 6.947 18.993 1.00 14.42 H new ATOM 0 HB2 SER A 3 -10.246 5.909 20.180 1.00 43.21 H new ATOM 0 HB3 SER A 3 -10.371 7.632 20.475 1.00 43.21 H new ATOM 0 HG SER A 3 -11.547 5.720 22.252 1.00 43.43 H new ATOM 38 N HIS A 4 -13.565 4.858 18.993 1.00 72.34 N ATOM 39 CA HIS A 4 -14.163 3.513 18.850 1.00 14.32 C ATOM 40 C HIS A 4 -13.063 2.431 18.694 1.00 43.31 C ATOM 41 O HIS A 4 -12.452 2.301 17.625 1.00 32.52 O ATOM 42 CB HIS A 4 -15.132 3.466 17.639 1.00 10.50 C ATOM 43 CG HIS A 4 -16.326 4.376 17.750 1.00 41.32 C ATOM 44 ND1 HIS A 4 -17.505 3.990 18.348 1.00 63.21 N ATOM 45 CD2 HIS A 4 -16.531 5.647 17.319 1.00 51.21 C ATOM 46 CE1 HIS A 4 -18.379 4.966 18.273 1.00 24.02 C ATOM 47 NE2 HIS A 4 -17.818 5.986 17.655 1.00 34.43 N ATOM 0 H HIS A 4 -13.701 5.456 18.178 1.00 72.34 H new ATOM 0 HA HIS A 4 -14.729 3.303 19.758 1.00 14.32 H new ATOM 0 HB2 HIS A 4 -14.577 3.726 16.737 1.00 10.50 H new ATOM 0 HB3 HIS A 4 -15.484 2.442 17.513 1.00 10.50 H new ATOM 0 HD2 HIS A 4 -15.816 6.274 16.808 1.00 51.21 H new ATOM 0 HE1 HIS A 4 -19.389 4.938 18.654 1.00 24.02 H new ATOM 0 HE2 HIS A 4 -18.267 6.881 17.459 1.00 34.43 H new ATOM 56 N GLN A 5 -12.813 1.676 19.780 1.00 2.00 N ATOM 57 CA GLN A 5 -11.841 0.556 19.792 1.00 73.12 C ATOM 58 C GLN A 5 -12.296 -0.582 18.839 1.00 74.20 C ATOM 59 O GLN A 5 -11.481 -1.169 18.136 1.00 31.15 O ATOM 60 CB GLN A 5 -11.669 0.028 21.242 1.00 32.31 C ATOM 61 CG GLN A 5 -11.196 1.102 22.245 1.00 11.23 C ATOM 62 CD GLN A 5 -11.103 0.592 23.688 1.00 33.15 C ATOM 63 OE1 GLN A 5 -12.064 0.659 24.446 1.00 71.21 O ATOM 64 NE2 GLN A 5 -9.945 0.093 24.083 1.00 34.04 N ATOM 0 H GLN A 5 -13.277 1.822 20.676 1.00 2.00 H new ATOM 0 HA GLN A 5 -10.879 0.921 19.434 1.00 73.12 H new ATOM 0 HB2 GLN A 5 -12.619 -0.382 21.584 1.00 32.31 H new ATOM 0 HB3 GLN A 5 -10.951 -0.792 21.237 1.00 32.31 H new ATOM 0 HG2 GLN A 5 -10.219 1.472 21.935 1.00 11.23 H new ATOM 0 HG3 GLN A 5 -11.883 1.948 22.210 1.00 11.23 H new ATOM 0 HE21 GLN A 5 -9.160 0.048 23.433 1.00 34.04 H new ATOM 0 HE22 GLN A 5 -9.836 -0.248 25.038 1.00 34.04 H new ATOM 73 N GLU A 6 -13.621 -0.836 18.818 1.00 43.31 N ATOM 74 CA GLU A 6 -14.293 -1.789 17.891 1.00 55.30 C ATOM 75 C GLU A 6 -13.891 -1.537 16.414 1.00 32.23 C ATOM 76 O GLU A 6 -13.537 -2.471 15.677 1.00 42.12 O ATOM 77 CB GLU A 6 -15.834 -1.633 18.056 1.00 3.42 C ATOM 78 CG GLU A 6 -16.712 -2.458 17.087 1.00 63.32 C ATOM 79 CD GLU A 6 -16.549 -3.975 17.267 1.00 54.21 C ATOM 80 OE1 GLU A 6 -17.093 -4.523 18.249 1.00 51.11 O ATOM 81 OE2 GLU A 6 -15.878 -4.623 16.438 1.00 53.42 O ATOM 0 H GLU A 6 -14.273 -0.378 19.455 1.00 43.31 H new ATOM 0 HA GLU A 6 -13.980 -2.802 18.142 1.00 55.30 H new ATOM 0 HB2 GLU A 6 -16.099 -1.909 19.077 1.00 3.42 H new ATOM 0 HB3 GLU A 6 -16.087 -0.580 17.934 1.00 3.42 H new ATOM 0 HG2 GLU A 6 -17.758 -2.191 17.238 1.00 63.32 H new ATOM 0 HG3 GLU A 6 -16.459 -2.191 16.061 1.00 63.32 H new ATOM 88 N TYR A 7 -13.942 -0.250 16.022 1.00 41.05 N ATOM 89 CA TYR A 7 -13.546 0.213 14.677 1.00 21.04 C ATOM 90 C TYR A 7 -12.061 -0.127 14.387 1.00 24.42 C ATOM 91 O TYR A 7 -11.759 -0.741 13.374 1.00 2.34 O ATOM 92 CB TYR A 7 -13.804 1.738 14.565 1.00 61.31 C ATOM 93 CG TYR A 7 -13.430 2.380 13.217 1.00 32.14 C ATOM 94 CD1 TYR A 7 -14.122 2.049 12.047 1.00 23.11 C ATOM 95 CD2 TYR A 7 -12.396 3.321 13.116 1.00 20.34 C ATOM 96 CE1 TYR A 7 -13.798 2.633 10.836 1.00 63.23 C ATOM 97 CE2 TYR A 7 -12.072 3.903 11.905 1.00 55.04 C ATOM 98 CZ TYR A 7 -12.775 3.555 10.768 1.00 43.25 C ATOM 99 OH TYR A 7 -12.457 4.142 9.557 1.00 63.31 O ATOM 0 H TYR A 7 -14.261 0.503 16.632 1.00 41.05 H new ATOM 0 HA TYR A 7 -14.146 -0.304 13.929 1.00 21.04 H new ATOM 0 HB2 TYR A 7 -14.861 1.924 14.754 1.00 61.31 H new ATOM 0 HB3 TYR A 7 -13.245 2.241 15.354 1.00 61.31 H new ATOM 0 HD1 TYR A 7 -14.923 1.325 12.090 1.00 23.11 H new ATOM 0 HD2 TYR A 7 -11.842 3.596 14.001 1.00 20.34 H new ATOM 0 HE1 TYR A 7 -14.346 2.367 9.944 1.00 63.23 H new ATOM 0 HE2 TYR A 7 -11.273 4.627 11.848 1.00 55.04 H new ATOM 0 HH TYR A 7 -11.714 4.769 9.682 1.00 63.31 H new ATOM 109 N ILE A 8 -11.166 0.230 15.329 1.00 54.32 N ATOM 110 CA ILE A 8 -9.696 0.007 15.208 1.00 3.15 C ATOM 111 C ILE A 8 -9.337 -1.495 14.993 1.00 64.54 C ATOM 112 O ILE A 8 -8.523 -1.829 14.118 1.00 23.12 O ATOM 113 CB ILE A 8 -8.939 0.569 16.478 1.00 43.11 C ATOM 114 CG1 ILE A 8 -9.205 2.105 16.648 1.00 21.40 C ATOM 115 CG2 ILE A 8 -7.413 0.264 16.434 1.00 31.03 C ATOM 116 CD1 ILE A 8 -8.740 2.975 15.486 1.00 41.55 C ATOM 0 H ILE A 8 -11.435 0.684 16.202 1.00 54.32 H new ATOM 0 HA ILE A 8 -9.368 0.551 14.322 1.00 3.15 H new ATOM 0 HB ILE A 8 -9.340 0.052 17.350 1.00 43.11 H new ATOM 0 HG12 ILE A 8 -10.275 2.259 16.791 1.00 21.40 H new ATOM 0 HG13 ILE A 8 -8.709 2.445 17.557 1.00 21.40 H new ATOM 0 HG21 ILE A 8 -6.935 0.669 17.326 1.00 31.03 H new ATOM 0 HG22 ILE A 8 -7.258 -0.814 16.397 1.00 31.03 H new ATOM 0 HG23 ILE A 8 -6.975 0.724 15.548 1.00 31.03 H new ATOM 0 HD11 ILE A 8 -8.969 4.019 15.699 1.00 41.55 H new ATOM 0 HD12 ILE A 8 -7.664 2.859 15.352 1.00 41.55 H new ATOM 0 HD13 ILE A 8 -9.254 2.670 14.575 1.00 41.55 H new ATOM 128 N LYS A 9 -9.976 -2.377 15.784 1.00 34.12 N ATOM 129 CA LYS A 9 -9.789 -3.852 15.690 1.00 14.33 C ATOM 130 C LYS A 9 -10.191 -4.384 14.294 1.00 25.54 C ATOM 131 O LYS A 9 -9.510 -5.245 13.736 1.00 33.11 O ATOM 132 CB LYS A 9 -10.596 -4.587 16.811 1.00 2.24 C ATOM 133 CG LYS A 9 -9.878 -4.748 18.171 1.00 2.30 C ATOM 134 CD LYS A 9 -9.369 -3.410 18.764 1.00 64.30 C ATOM 135 CE LYS A 9 -9.038 -3.510 20.257 1.00 23.14 C ATOM 136 NZ LYS A 9 -8.016 -4.547 20.536 1.00 1.30 N ATOM 0 H LYS A 9 -10.637 -2.096 16.508 1.00 34.12 H new ATOM 0 HA LYS A 9 -8.729 -4.060 15.834 1.00 14.33 H new ATOM 0 HB2 LYS A 9 -11.526 -4.044 16.976 1.00 2.24 H new ATOM 0 HB3 LYS A 9 -10.866 -5.578 16.446 1.00 2.24 H new ATOM 0 HG2 LYS A 9 -10.562 -5.214 18.881 1.00 2.30 H new ATOM 0 HG3 LYS A 9 -9.034 -5.427 18.049 1.00 2.30 H new ATOM 0 HD2 LYS A 9 -8.480 -3.092 18.220 1.00 64.30 H new ATOM 0 HD3 LYS A 9 -10.126 -2.640 18.615 1.00 64.30 H new ATOM 0 HE2 LYS A 9 -8.680 -2.544 20.613 1.00 23.14 H new ATOM 0 HE3 LYS A 9 -9.946 -3.738 20.814 1.00 23.14 H new ATOM 0 HZ1 LYS A 9 -7.787 -4.544 21.550 1.00 1.30 H new ATOM 0 HZ2 LYS A 9 -8.387 -5.481 20.267 1.00 1.30 H new ATOM 0 HZ3 LYS A 9 -7.157 -4.344 19.986 1.00 1.30 H new ATOM 150 N LYS A 10 -11.297 -3.860 13.743 1.00 25.03 N ATOM 151 CA LYS A 10 -11.731 -4.183 12.366 1.00 51.42 C ATOM 152 C LYS A 10 -10.721 -3.672 11.307 1.00 51.32 C ATOM 153 O LYS A 10 -10.356 -4.411 10.390 1.00 31.24 O ATOM 154 CB LYS A 10 -13.150 -3.605 12.103 1.00 23.23 C ATOM 155 CG LYS A 10 -14.290 -4.428 12.749 1.00 41.01 C ATOM 156 CD LYS A 10 -15.697 -3.801 12.529 1.00 22.41 C ATOM 157 CE LYS A 10 -16.842 -4.824 12.659 1.00 23.11 C ATOM 158 NZ LYS A 10 -16.835 -5.526 13.965 1.00 30.33 N ATOM 0 H LYS A 10 -11.912 -3.208 14.229 1.00 25.03 H new ATOM 0 HA LYS A 10 -11.769 -5.268 12.274 1.00 51.42 H new ATOM 0 HB2 LYS A 10 -13.192 -2.584 12.482 1.00 23.23 H new ATOM 0 HB3 LYS A 10 -13.317 -3.553 11.027 1.00 23.23 H new ATOM 0 HG2 LYS A 10 -14.280 -5.437 12.337 1.00 41.01 H new ATOM 0 HG3 LYS A 10 -14.103 -4.519 13.819 1.00 41.01 H new ATOM 0 HD2 LYS A 10 -15.849 -3.001 13.253 1.00 22.41 H new ATOM 0 HD3 LYS A 10 -15.735 -3.346 11.539 1.00 22.41 H new ATOM 0 HE2 LYS A 10 -17.796 -4.314 12.530 1.00 23.11 H new ATOM 0 HE3 LYS A 10 -16.762 -5.557 11.856 1.00 23.11 H new ATOM 0 HZ1 LYS A 10 -17.810 -5.771 14.233 1.00 30.33 H new ATOM 0 HZ2 LYS A 10 -16.268 -6.395 13.889 1.00 30.33 H new ATOM 0 HZ3 LYS A 10 -16.422 -4.906 14.690 1.00 30.33 H new ATOM 172 N VAL A 11 -10.251 -2.419 11.489 1.00 70.25 N ATOM 173 CA VAL A 11 -9.332 -1.721 10.550 1.00 62.34 C ATOM 174 C VAL A 11 -7.969 -2.458 10.376 1.00 53.24 C ATOM 175 O VAL A 11 -7.357 -2.389 9.298 1.00 1.54 O ATOM 176 CB VAL A 11 -9.124 -0.215 11.004 1.00 63.10 C ATOM 177 CG1 VAL A 11 -8.013 0.509 10.209 1.00 22.14 C ATOM 178 CG2 VAL A 11 -10.447 0.580 10.884 1.00 4.05 C ATOM 0 H VAL A 11 -10.499 -1.853 12.300 1.00 70.25 H new ATOM 0 HA VAL A 11 -9.804 -1.730 9.568 1.00 62.34 H new ATOM 0 HB VAL A 11 -8.807 -0.254 12.046 1.00 63.10 H new ATOM 0 HG11 VAL A 11 -7.919 1.535 10.566 1.00 22.14 H new ATOM 0 HG12 VAL A 11 -7.066 -0.012 10.350 1.00 22.14 H new ATOM 0 HG13 VAL A 11 -8.269 0.516 9.150 1.00 22.14 H new ATOM 0 HG21 VAL A 11 -10.282 1.610 11.200 1.00 4.05 H new ATOM 0 HG22 VAL A 11 -10.786 0.568 9.848 1.00 4.05 H new ATOM 0 HG23 VAL A 11 -11.205 0.122 11.519 1.00 4.05 H new ATOM 188 N THR A 12 -7.518 -3.186 11.422 1.00 41.01 N ATOM 189 CA THR A 12 -6.257 -3.974 11.358 1.00 53.51 C ATOM 190 C THR A 12 -6.352 -5.102 10.301 1.00 35.35 C ATOM 191 O THR A 12 -5.449 -5.262 9.491 1.00 53.40 O ATOM 192 CB THR A 12 -5.845 -4.598 12.736 1.00 24.53 C ATOM 193 OG1 THR A 12 -6.827 -5.555 13.172 1.00 24.53 O ATOM 194 CG2 THR A 12 -5.663 -3.519 13.814 1.00 13.24 C ATOM 0 H THR A 12 -8.002 -3.247 12.318 1.00 41.01 H new ATOM 0 HA THR A 12 -5.485 -3.260 11.072 1.00 53.51 H new ATOM 0 HB THR A 12 -4.889 -5.101 12.590 1.00 24.53 H new ATOM 0 HG1 THR A 12 -7.693 -5.109 13.281 1.00 24.53 H new ATOM 0 HG21 THR A 12 -5.378 -3.989 14.755 1.00 13.24 H new ATOM 0 HG22 THR A 12 -4.883 -2.824 13.505 1.00 13.24 H new ATOM 0 HG23 THR A 12 -6.599 -2.977 13.948 1.00 13.24 H new ATOM 202 N ASP A 13 -7.451 -5.878 10.321 1.00 10.14 N ATOM 203 CA ASP A 13 -7.713 -6.928 9.301 1.00 70.12 C ATOM 204 C ASP A 13 -8.211 -6.363 7.955 1.00 5.22 C ATOM 205 O ASP A 13 -8.002 -6.996 6.921 1.00 64.12 O ATOM 206 CB ASP A 13 -8.638 -8.037 9.847 1.00 21.42 C ATOM 207 CG ASP A 13 -7.885 -8.939 10.834 1.00 62.31 C ATOM 208 OD1 ASP A 13 -6.852 -9.527 10.430 1.00 53.21 O ATOM 209 OD2 ASP A 13 -8.271 -9.027 12.013 1.00 20.31 O ATOM 0 H ASP A 13 -8.178 -5.802 11.032 1.00 10.14 H new ATOM 0 HA ASP A 13 -6.748 -7.386 9.085 1.00 70.12 H new ATOM 0 HB2 ASP A 13 -9.499 -7.588 10.342 1.00 21.42 H new ATOM 0 HB3 ASP A 13 -9.022 -8.636 9.021 1.00 21.42 H new ATOM 214 N GLU A 14 -8.891 -5.201 7.967 1.00 53.43 N ATOM 215 CA GLU A 14 -9.196 -4.449 6.720 1.00 4.52 C ATOM 216 C GLU A 14 -7.891 -4.029 5.998 1.00 44.14 C ATOM 217 O GLU A 14 -7.865 -3.915 4.779 1.00 31.44 O ATOM 218 CB GLU A 14 -10.063 -3.197 7.015 1.00 2.43 C ATOM 219 CG GLU A 14 -11.503 -3.499 7.471 1.00 55.21 C ATOM 220 CD GLU A 14 -12.315 -2.222 7.750 1.00 31.30 C ATOM 221 OE1 GLU A 14 -12.939 -1.680 6.810 1.00 13.32 O ATOM 222 OE2 GLU A 14 -12.319 -1.740 8.905 1.00 24.31 O ATOM 0 H GLU A 14 -9.241 -4.759 8.817 1.00 53.43 H new ATOM 0 HA GLU A 14 -9.763 -5.113 6.068 1.00 4.52 H new ATOM 0 HB2 GLU A 14 -9.570 -2.605 7.786 1.00 2.43 H new ATOM 0 HB3 GLU A 14 -10.103 -2.581 6.117 1.00 2.43 H new ATOM 0 HG2 GLU A 14 -12.008 -4.086 6.704 1.00 55.21 H new ATOM 0 HG3 GLU A 14 -11.474 -4.111 8.373 1.00 55.21 H new ATOM 229 N LEU A 15 -6.818 -3.811 6.787 1.00 34.52 N ATOM 230 CA LEU A 15 -5.454 -3.567 6.271 1.00 54.32 C ATOM 231 C LEU A 15 -4.893 -4.839 5.568 1.00 12.14 C ATOM 232 O LEU A 15 -4.307 -4.735 4.496 1.00 54.31 O ATOM 233 CB LEU A 15 -4.544 -3.065 7.439 1.00 43.25 C ATOM 234 CG LEU A 15 -3.021 -2.785 7.134 1.00 71.24 C ATOM 235 CD1 LEU A 15 -2.464 -1.650 8.033 1.00 44.11 C ATOM 236 CD2 LEU A 15 -2.157 -4.061 7.309 1.00 63.42 C ATOM 0 H LEU A 15 -6.874 -3.799 7.805 1.00 34.52 H new ATOM 0 HA LEU A 15 -5.477 -2.787 5.510 1.00 54.32 H new ATOM 0 HB2 LEU A 15 -4.980 -2.145 7.828 1.00 43.25 H new ATOM 0 HB3 LEU A 15 -4.592 -3.804 8.239 1.00 43.25 H new ATOM 0 HG LEU A 15 -2.964 -2.469 6.092 1.00 71.24 H new ATOM 0 HD11 LEU A 15 -1.413 -1.482 7.798 1.00 44.11 H new ATOM 0 HD12 LEU A 15 -3.027 -0.734 7.853 1.00 44.11 H new ATOM 0 HD13 LEU A 15 -2.560 -1.935 9.081 1.00 44.11 H new ATOM 0 HD21 LEU A 15 -1.115 -3.828 7.090 1.00 63.42 H new ATOM 0 HD22 LEU A 15 -2.241 -4.419 8.335 1.00 63.42 H new ATOM 0 HD23 LEU A 15 -2.507 -4.834 6.625 1.00 63.42 H new ATOM 248 N LYS A 16 -5.081 -6.038 6.185 1.00 2.32 N ATOM 249 CA LYS A 16 -4.696 -7.351 5.561 1.00 61.22 C ATOM 250 C LYS A 16 -5.473 -7.594 4.243 1.00 53.23 C ATOM 251 O LYS A 16 -4.913 -8.096 3.259 1.00 30.23 O ATOM 252 CB LYS A 16 -4.952 -8.560 6.520 1.00 14.12 C ATOM 253 CG LYS A 16 -3.893 -8.812 7.623 1.00 72.14 C ATOM 254 CD LYS A 16 -3.790 -7.673 8.659 1.00 15.42 C ATOM 255 CE LYS A 16 -3.117 -8.114 9.969 1.00 44.31 C ATOM 256 NZ LYS A 16 -3.906 -9.175 10.659 1.00 35.34 N ATOM 0 H LYS A 16 -5.496 -6.130 7.112 1.00 2.32 H new ATOM 0 HA LYS A 16 -3.628 -7.285 5.355 1.00 61.22 H new ATOM 0 HB2 LYS A 16 -5.918 -8.412 7.003 1.00 14.12 H new ATOM 0 HB3 LYS A 16 -5.034 -9.463 5.915 1.00 14.12 H new ATOM 0 HG2 LYS A 16 -4.135 -9.740 8.140 1.00 72.14 H new ATOM 0 HG3 LYS A 16 -2.919 -8.953 7.154 1.00 72.14 H new ATOM 0 HD2 LYS A 16 -3.226 -6.846 8.227 1.00 15.42 H new ATOM 0 HD3 LYS A 16 -4.789 -7.297 8.879 1.00 15.42 H new ATOM 0 HE2 LYS A 16 -2.114 -8.485 9.757 1.00 44.31 H new ATOM 0 HE3 LYS A 16 -3.006 -7.254 10.630 1.00 44.31 H new ATOM 0 HZ1 LYS A 16 -3.790 -9.080 11.688 1.00 35.34 H new ATOM 0 HZ2 LYS A 16 -4.912 -9.075 10.414 1.00 35.34 H new ATOM 0 HZ3 LYS A 16 -3.568 -10.111 10.357 1.00 35.34 H new ATOM 270 N GLU A 17 -6.772 -7.258 4.261 1.00 44.02 N ATOM 271 CA GLU A 17 -7.660 -7.337 3.082 1.00 43.31 C ATOM 272 C GLU A 17 -7.193 -6.384 1.972 1.00 70.55 C ATOM 273 O GLU A 17 -7.235 -6.708 0.788 1.00 74.22 O ATOM 274 CB GLU A 17 -9.104 -6.972 3.495 1.00 10.12 C ATOM 275 CG GLU A 17 -10.146 -7.096 2.367 1.00 72.00 C ATOM 276 CD GLU A 17 -11.529 -6.587 2.785 1.00 4.04 C ATOM 277 OE1 GLU A 17 -12.315 -7.364 3.370 1.00 53.25 O ATOM 278 OE2 GLU A 17 -11.832 -5.403 2.538 1.00 14.54 O ATOM 0 H GLU A 17 -7.244 -6.920 5.100 1.00 44.02 H new ATOM 0 HA GLU A 17 -7.627 -8.357 2.699 1.00 43.31 H new ATOM 0 HB2 GLU A 17 -9.405 -7.616 4.322 1.00 10.12 H new ATOM 0 HB3 GLU A 17 -9.113 -5.948 3.869 1.00 10.12 H new ATOM 0 HG2 GLU A 17 -9.804 -6.535 1.498 1.00 72.00 H new ATOM 0 HG3 GLU A 17 -10.224 -8.140 2.062 1.00 72.00 H new ATOM 285 N LEU A 18 -6.741 -5.215 2.397 1.00 45.22 N ATOM 286 CA LEU A 18 -6.283 -4.141 1.509 1.00 61.31 C ATOM 287 C LEU A 18 -4.974 -4.541 0.793 1.00 13.30 C ATOM 288 O LEU A 18 -4.811 -4.302 -0.397 1.00 63.34 O ATOM 289 CB LEU A 18 -6.111 -2.845 2.358 1.00 73.13 C ATOM 290 CG LEU A 18 -6.545 -1.514 1.688 1.00 35.43 C ATOM 291 CD1 LEU A 18 -7.932 -1.654 1.042 1.00 14.43 C ATOM 292 CD2 LEU A 18 -6.526 -0.356 2.708 1.00 11.33 C ATOM 0 H LEU A 18 -6.678 -4.975 3.386 1.00 45.22 H new ATOM 0 HA LEU A 18 -7.019 -3.959 0.726 1.00 61.31 H new ATOM 0 HB2 LEU A 18 -6.680 -2.964 3.280 1.00 73.13 H new ATOM 0 HB3 LEU A 18 -5.062 -2.759 2.639 1.00 73.13 H new ATOM 0 HG LEU A 18 -5.829 -1.281 0.900 1.00 35.43 H new ATOM 0 HD11 LEU A 18 -8.215 -0.709 0.579 1.00 14.43 H new ATOM 0 HD12 LEU A 18 -7.903 -2.436 0.283 1.00 14.43 H new ATOM 0 HD13 LEU A 18 -8.664 -1.917 1.805 1.00 14.43 H new ATOM 0 HD21 LEU A 18 -6.834 0.567 2.216 1.00 11.33 H new ATOM 0 HD22 LEU A 18 -7.213 -0.579 3.524 1.00 11.33 H new ATOM 0 HD23 LEU A 18 -5.518 -0.237 3.105 1.00 11.33 H new ATOM 304 N ILE A 19 -4.059 -5.148 1.560 1.00 31.43 N ATOM 305 CA ILE A 19 -2.807 -5.754 1.052 1.00 5.53 C ATOM 306 C ILE A 19 -3.110 -6.874 0.028 1.00 20.42 C ATOM 307 O ILE A 19 -2.510 -6.924 -1.038 1.00 72.33 O ATOM 308 CB ILE A 19 -1.965 -6.318 2.263 1.00 31.45 C ATOM 309 CG1 ILE A 19 -1.449 -5.140 3.154 1.00 61.13 C ATOM 310 CG2 ILE A 19 -0.798 -7.238 1.819 1.00 2.40 C ATOM 311 CD1 ILE A 19 -0.741 -5.568 4.419 1.00 32.23 C ATOM 0 H ILE A 19 -4.164 -5.237 2.571 1.00 31.43 H new ATOM 0 HA ILE A 19 -2.227 -4.987 0.540 1.00 5.53 H new ATOM 0 HB ILE A 19 -2.633 -6.947 2.851 1.00 31.45 H new ATOM 0 HG12 ILE A 19 -0.769 -4.526 2.563 1.00 61.13 H new ATOM 0 HG13 ILE A 19 -2.296 -4.508 3.424 1.00 61.13 H new ATOM 0 HG21 ILE A 19 -0.259 -7.592 2.698 1.00 2.40 H new ATOM 0 HG22 ILE A 19 -1.196 -8.091 1.269 1.00 2.40 H new ATOM 0 HG23 ILE A 19 -0.117 -6.678 1.177 1.00 2.40 H new ATOM 0 HD11 ILE A 19 -0.419 -4.686 4.972 1.00 32.23 H new ATOM 0 HD12 ILE A 19 -1.422 -6.155 5.036 1.00 32.23 H new ATOM 0 HD13 ILE A 19 0.129 -6.173 4.162 1.00 32.23 H new ATOM 323 N GLN A 20 -4.064 -7.748 0.380 1.00 23.12 N ATOM 324 CA GLN A 20 -4.576 -8.823 -0.510 1.00 24.04 C ATOM 325 C GLN A 20 -5.067 -8.256 -1.869 1.00 41.52 C ATOM 326 O GLN A 20 -4.744 -8.789 -2.935 1.00 30.45 O ATOM 327 CB GLN A 20 -5.736 -9.559 0.218 1.00 71.11 C ATOM 328 CG GLN A 20 -6.483 -10.627 -0.608 1.00 52.04 C ATOM 329 CD GLN A 20 -7.665 -11.237 0.146 1.00 74.34 C ATOM 330 OE1 GLN A 20 -8.777 -10.725 0.101 1.00 2.00 O ATOM 331 NE2 GLN A 20 -7.436 -12.331 0.846 1.00 52.52 N ATOM 0 H GLN A 20 -4.512 -7.736 1.296 1.00 23.12 H new ATOM 0 HA GLN A 20 -3.765 -9.518 -0.726 1.00 24.04 H new ATOM 0 HB2 GLN A 20 -5.333 -10.036 1.112 1.00 71.11 H new ATOM 0 HB3 GLN A 20 -6.459 -8.815 0.552 1.00 71.11 H new ATOM 0 HG2 GLN A 20 -6.841 -10.179 -1.535 1.00 52.04 H new ATOM 0 HG3 GLN A 20 -5.787 -11.419 -0.885 1.00 52.04 H new ATOM 0 HE21 GLN A 20 -6.500 -12.737 0.866 1.00 52.52 H new ATOM 0 HE22 GLN A 20 -8.194 -12.771 1.367 1.00 52.52 H new ATOM 340 N ASN A 21 -5.824 -7.152 -1.799 1.00 1.24 N ATOM 341 CA ASN A 21 -6.393 -6.480 -2.985 1.00 20.55 C ATOM 342 C ASN A 21 -5.300 -5.802 -3.851 1.00 35.54 C ATOM 343 O ASN A 21 -5.298 -5.954 -5.068 1.00 71.32 O ATOM 344 CB ASN A 21 -7.466 -5.447 -2.542 1.00 64.21 C ATOM 345 CG ASN A 21 -8.782 -6.064 -2.029 1.00 75.23 C ATOM 346 OD1 ASN A 21 -9.836 -5.459 -2.153 1.00 1.51 O ATOM 347 ND2 ASN A 21 -8.751 -7.265 -1.467 1.00 4.24 N ATOM 0 H ASN A 21 -6.062 -6.696 -0.918 1.00 1.24 H new ATOM 0 HA ASN A 21 -6.863 -7.241 -3.608 1.00 20.55 H new ATOM 0 HB2 ASN A 21 -7.044 -4.820 -1.756 1.00 64.21 H new ATOM 0 HB3 ASN A 21 -7.691 -4.794 -3.385 1.00 64.21 H new ATOM 0 HD21 ASN A 21 -9.614 -7.694 -1.132 1.00 4.24 H new ATOM 0 HD22 ASN A 21 -7.864 -7.760 -1.369 1.00 4.24 H new ATOM 354 N VAL A 22 -4.370 -5.078 -3.202 1.00 1.41 N ATOM 355 CA VAL A 22 -3.265 -4.368 -3.894 1.00 42.43 C ATOM 356 C VAL A 22 -2.282 -5.358 -4.563 1.00 55.24 C ATOM 357 O VAL A 22 -1.869 -5.121 -5.685 1.00 51.23 O ATOM 358 CB VAL A 22 -2.503 -3.391 -2.917 1.00 34.55 C ATOM 359 CG1 VAL A 22 -1.234 -2.779 -3.554 1.00 20.52 C ATOM 360 CG2 VAL A 22 -3.438 -2.266 -2.446 1.00 40.25 C ATOM 0 H VAL A 22 -4.358 -4.965 -2.188 1.00 1.41 H new ATOM 0 HA VAL A 22 -3.716 -3.766 -4.682 1.00 42.43 H new ATOM 0 HB VAL A 22 -2.184 -3.990 -2.064 1.00 34.55 H new ATOM 0 HG11 VAL A 22 -0.751 -2.116 -2.837 1.00 20.52 H new ATOM 0 HG12 VAL A 22 -0.545 -3.577 -3.832 1.00 20.52 H new ATOM 0 HG13 VAL A 22 -1.510 -2.212 -4.443 1.00 20.52 H new ATOM 0 HG21 VAL A 22 -2.897 -1.601 -1.773 1.00 40.25 H new ATOM 0 HG22 VAL A 22 -3.790 -1.701 -3.309 1.00 40.25 H new ATOM 0 HG23 VAL A 22 -4.291 -2.697 -1.922 1.00 40.25 H new ATOM 370 N ASN A 23 -1.940 -6.471 -3.873 1.00 74.04 N ATOM 371 CA ASN A 23 -1.165 -7.597 -4.470 1.00 71.24 C ATOM 372 C ASN A 23 -1.809 -8.050 -5.804 1.00 42.32 C ATOM 373 O ASN A 23 -1.142 -8.127 -6.830 1.00 71.23 O ATOM 374 CB ASN A 23 -1.090 -8.816 -3.497 1.00 13.25 C ATOM 375 CG ASN A 23 -0.139 -8.619 -2.312 1.00 3.11 C ATOM 376 OD1 ASN A 23 0.891 -7.975 -2.433 1.00 21.45 O ATOM 377 ND2 ASN A 23 -0.470 -9.179 -1.162 1.00 2.53 N ATOM 0 H ASN A 23 -2.188 -6.619 -2.895 1.00 74.04 H new ATOM 0 HA ASN A 23 -0.154 -7.234 -4.655 1.00 71.24 H new ATOM 0 HB2 ASN A 23 -2.090 -9.023 -3.115 1.00 13.25 H new ATOM 0 HB3 ASN A 23 -0.775 -9.695 -4.059 1.00 13.25 H new ATOM 0 HD21 ASN A 23 0.140 -9.078 -0.351 1.00 2.53 H new ATOM 0 HD22 ASN A 23 -1.336 -9.713 -1.085 1.00 2.53 H new ATOM 384 N ASP A 24 -3.135 -8.264 -5.756 1.00 11.11 N ATOM 385 CA ASP A 24 -3.946 -8.714 -6.905 1.00 2.10 C ATOM 386 C ASP A 24 -3.941 -7.663 -8.067 1.00 4.01 C ATOM 387 O ASP A 24 -3.772 -8.025 -9.239 1.00 25.21 O ATOM 388 CB ASP A 24 -5.382 -9.000 -6.385 1.00 33.34 C ATOM 389 CG ASP A 24 -6.309 -9.655 -7.419 1.00 23.33 C ATOM 390 OD1 ASP A 24 -6.879 -8.937 -8.260 1.00 53.13 O ATOM 391 OD2 ASP A 24 -6.483 -10.890 -7.388 1.00 14.32 O ATOM 0 H ASP A 24 -3.683 -8.128 -4.907 1.00 11.11 H new ATOM 0 HA ASP A 24 -3.519 -9.622 -7.331 1.00 2.10 H new ATOM 0 HB2 ASP A 24 -5.317 -9.648 -5.511 1.00 33.34 H new ATOM 0 HB3 ASP A 24 -5.830 -8.063 -6.055 1.00 33.34 H new ATOM 396 N ASP A 25 -4.108 -6.362 -7.721 1.00 40.32 N ATOM 397 CA ASP A 25 -4.069 -5.243 -8.705 1.00 34.35 C ATOM 398 C ASP A 25 -2.659 -5.093 -9.351 1.00 11.15 C ATOM 399 O ASP A 25 -2.546 -4.810 -10.550 1.00 33.34 O ATOM 400 CB ASP A 25 -4.499 -3.898 -8.041 1.00 4.20 C ATOM 401 CG ASP A 25 -5.998 -3.832 -7.668 1.00 5.33 C ATOM 402 OD1 ASP A 25 -6.855 -3.933 -8.578 1.00 54.44 O ATOM 403 OD2 ASP A 25 -6.336 -3.648 -6.477 1.00 63.40 O ATOM 0 H ASP A 25 -4.272 -6.057 -6.762 1.00 40.32 H new ATOM 0 HA ASP A 25 -4.779 -5.487 -9.495 1.00 34.35 H new ATOM 0 HB2 ASP A 25 -3.904 -3.742 -7.141 1.00 4.20 H new ATOM 0 HB3 ASP A 25 -4.268 -3.078 -8.722 1.00 4.20 H new ATOM 408 N ILE A 26 -1.595 -5.307 -8.544 1.00 13.41 N ATOM 409 CA ILE A 26 -0.186 -5.221 -9.011 1.00 64.05 C ATOM 410 C ILE A 26 0.163 -6.385 -9.977 1.00 42.42 C ATOM 411 O ILE A 26 0.928 -6.192 -10.914 1.00 44.23 O ATOM 412 CB ILE A 26 0.859 -5.210 -7.820 1.00 22.01 C ATOM 413 CG1 ILE A 26 0.703 -3.945 -6.923 1.00 40.10 C ATOM 414 CG2 ILE A 26 2.316 -5.307 -8.340 1.00 32.42 C ATOM 415 CD1 ILE A 26 1.559 -3.947 -5.661 1.00 40.54 C ATOM 0 H ILE A 26 -1.684 -5.543 -7.556 1.00 13.41 H new ATOM 0 HA ILE A 26 -0.111 -4.270 -9.538 1.00 64.05 H new ATOM 0 HB ILE A 26 0.645 -6.090 -7.213 1.00 22.01 H new ATOM 0 HG12 ILE A 26 0.954 -3.064 -7.514 1.00 40.10 H new ATOM 0 HG13 ILE A 26 -0.344 -3.848 -6.635 1.00 40.10 H new ATOM 0 HG21 ILE A 26 3.005 -5.297 -7.496 1.00 32.42 H new ATOM 0 HG22 ILE A 26 2.442 -6.234 -8.900 1.00 32.42 H new ATOM 0 HG23 ILE A 26 2.527 -4.459 -8.991 1.00 32.42 H new ATOM 0 HD11 ILE A 26 1.384 -3.028 -5.101 1.00 40.54 H new ATOM 0 HD12 ILE A 26 1.294 -4.805 -5.043 1.00 40.54 H new ATOM 0 HD13 ILE A 26 2.612 -4.009 -5.936 1.00 40.54 H new ATOM 427 N LYS A 27 -0.400 -7.588 -9.740 1.00 53.53 N ATOM 428 CA LYS A 27 -0.104 -8.782 -10.583 1.00 52.34 C ATOM 429 C LYS A 27 -0.518 -8.588 -12.058 1.00 12.25 C ATOM 430 O LYS A 27 0.084 -9.173 -12.971 1.00 42.41 O ATOM 431 CB LYS A 27 -0.732 -10.064 -9.992 1.00 73.33 C ATOM 432 CG LYS A 27 -0.129 -10.481 -8.630 1.00 20.13 C ATOM 433 CD LYS A 27 -0.473 -11.933 -8.228 1.00 61.12 C ATOM 434 CE LYS A 27 0.179 -12.961 -9.175 1.00 74.40 C ATOM 435 NZ LYS A 27 1.662 -12.806 -9.233 1.00 1.11 N ATOM 0 H LYS A 27 -1.057 -7.765 -8.981 1.00 53.53 H new ATOM 0 HA LYS A 27 0.979 -8.902 -10.574 1.00 52.34 H new ATOM 0 HB2 LYS A 27 -1.805 -9.911 -9.873 1.00 73.33 H new ATOM 0 HB3 LYS A 27 -0.604 -10.881 -10.702 1.00 73.33 H new ATOM 0 HG2 LYS A 27 0.955 -10.370 -8.671 1.00 20.13 H new ATOM 0 HG3 LYS A 27 -0.490 -9.802 -7.857 1.00 20.13 H new ATOM 0 HD2 LYS A 27 -0.138 -12.116 -7.207 1.00 61.12 H new ATOM 0 HD3 LYS A 27 -1.555 -12.066 -8.237 1.00 61.12 H new ATOM 0 HE2 LYS A 27 -0.067 -13.969 -8.841 1.00 74.40 H new ATOM 0 HE3 LYS A 27 -0.237 -12.846 -10.176 1.00 74.40 H new ATOM 0 HZ1 LYS A 27 2.071 -13.587 -9.785 1.00 1.11 H new ATOM 0 HZ2 LYS A 27 1.899 -11.900 -9.686 1.00 1.11 H new ATOM 0 HZ3 LYS A 27 2.051 -12.822 -8.269 1.00 1.11 H new ATOM 449 N GLU A 28 -1.546 -7.766 -12.272 1.00 52.23 N ATOM 450 CA GLU A 28 -1.946 -7.304 -13.614 1.00 43.04 C ATOM 451 C GLU A 28 -0.875 -6.368 -14.229 1.00 3.11 C ATOM 452 O GLU A 28 -0.605 -6.411 -15.436 1.00 62.12 O ATOM 453 CB GLU A 28 -3.310 -6.587 -13.505 1.00 14.53 C ATOM 454 CG GLU A 28 -4.445 -7.468 -12.940 1.00 51.20 C ATOM 455 CD GLU A 28 -4.780 -8.675 -13.837 1.00 23.01 C ATOM 456 OE1 GLU A 28 -5.455 -8.490 -14.872 1.00 74.12 O ATOM 457 OE2 GLU A 28 -4.359 -9.809 -13.524 1.00 72.52 O ATOM 0 H GLU A 28 -2.130 -7.397 -11.522 1.00 52.23 H new ATOM 0 HA GLU A 28 -2.036 -8.163 -14.279 1.00 43.04 H new ATOM 0 HB2 GLU A 28 -3.196 -5.709 -12.869 1.00 14.53 H new ATOM 0 HB3 GLU A 28 -3.600 -6.230 -14.493 1.00 14.53 H new ATOM 0 HG2 GLU A 28 -4.160 -7.827 -11.951 1.00 51.20 H new ATOM 0 HG3 GLU A 28 -5.340 -6.859 -12.812 1.00 51.20 H new ATOM 464 N VAL A 29 -0.261 -5.536 -13.369 1.00 61.52 N ATOM 465 CA VAL A 29 0.805 -4.591 -13.764 1.00 32.44 C ATOM 466 C VAL A 29 2.178 -5.311 -13.986 1.00 43.34 C ATOM 467 O VAL A 29 3.028 -4.826 -14.743 1.00 61.41 O ATOM 468 CB VAL A 29 0.996 -3.446 -12.694 1.00 2.23 C ATOM 469 CG1 VAL A 29 1.890 -2.334 -13.252 1.00 30.00 C ATOM 470 CG2 VAL A 29 -0.348 -2.852 -12.201 1.00 24.33 C ATOM 0 H VAL A 29 -0.490 -5.498 -12.376 1.00 61.52 H new ATOM 0 HA VAL A 29 0.480 -4.152 -14.707 1.00 32.44 H new ATOM 0 HB VAL A 29 1.479 -3.904 -11.831 1.00 2.23 H new ATOM 0 HG11 VAL A 29 2.011 -1.553 -12.501 1.00 30.00 H new ATOM 0 HG12 VAL A 29 2.866 -2.746 -13.508 1.00 30.00 H new ATOM 0 HG13 VAL A 29 1.430 -1.911 -14.145 1.00 30.00 H new ATOM 0 HG21 VAL A 29 -0.153 -2.070 -11.467 1.00 24.33 H new ATOM 0 HG22 VAL A 29 -0.891 -2.429 -13.046 1.00 24.33 H new ATOM 0 HG23 VAL A 29 -0.947 -3.639 -11.742 1.00 24.33 H new ATOM 480 N GLU A 30 2.388 -6.471 -13.322 1.00 23.14 N ATOM 481 CA GLU A 30 3.647 -7.266 -13.466 1.00 62.43 C ATOM 482 C GLU A 30 3.837 -7.788 -14.915 1.00 23.30 C ATOM 483 O GLU A 30 4.960 -8.085 -15.333 1.00 12.03 O ATOM 484 CB GLU A 30 3.685 -8.447 -12.457 1.00 32.55 C ATOM 485 CG GLU A 30 3.723 -8.026 -10.971 1.00 22.25 C ATOM 486 CD GLU A 30 3.859 -9.221 -10.000 1.00 73.10 C ATOM 487 OE1 GLU A 30 2.978 -10.112 -10.007 1.00 1.33 O ATOM 488 OE2 GLU A 30 4.837 -9.275 -9.222 1.00 41.54 O ATOM 0 H GLU A 30 1.709 -6.883 -12.682 1.00 23.14 H new ATOM 0 HA GLU A 30 4.475 -6.593 -13.242 1.00 62.43 H new ATOM 0 HB2 GLU A 30 2.809 -9.075 -12.620 1.00 32.55 H new ATOM 0 HB3 GLU A 30 4.561 -9.060 -12.669 1.00 32.55 H new ATOM 0 HG2 GLU A 30 4.558 -7.343 -10.815 1.00 22.25 H new ATOM 0 HG3 GLU A 30 2.813 -7.475 -10.733 1.00 22.25 H new ATOM 495 N LYS A 31 2.727 -7.915 -15.659 1.00 62.44 N ATOM 496 CA LYS A 31 2.758 -8.152 -17.119 1.00 2.43 C ATOM 497 C LYS A 31 2.725 -6.828 -17.884 1.00 63.20 C ATOM 498 O LYS A 31 3.496 -6.617 -18.832 1.00 3.33 O ATOM 499 CB LYS A 31 1.563 -9.028 -17.555 1.00 21.31 C ATOM 500 CG LYS A 31 1.595 -10.427 -16.941 1.00 25.13 C ATOM 501 CD LYS A 31 0.490 -11.358 -17.481 1.00 15.05 C ATOM 502 CE LYS A 31 0.611 -12.789 -16.929 1.00 12.24 C ATOM 503 NZ LYS A 31 -0.393 -13.706 -17.517 1.00 61.43 N ATOM 0 H LYS A 31 1.785 -7.857 -15.272 1.00 62.44 H new ATOM 0 HA LYS A 31 3.686 -8.674 -17.351 1.00 2.43 H new ATOM 0 HB2 LYS A 31 0.634 -8.533 -17.271 1.00 21.31 H new ATOM 0 HB3 LYS A 31 1.559 -9.114 -18.642 1.00 21.31 H new ATOM 0 HG2 LYS A 31 2.568 -10.879 -17.135 1.00 25.13 H new ATOM 0 HG3 LYS A 31 1.493 -10.343 -15.859 1.00 25.13 H new ATOM 0 HD2 LYS A 31 -0.486 -10.951 -17.218 1.00 15.05 H new ATOM 0 HD3 LYS A 31 0.541 -11.385 -18.569 1.00 15.05 H new ATOM 0 HE2 LYS A 31 1.611 -13.171 -17.132 1.00 12.24 H new ATOM 0 HE3 LYS A 31 0.491 -12.769 -15.846 1.00 12.24 H new ATOM 0 HZ1 LYS A 31 -0.272 -14.657 -17.115 1.00 61.43 H new ATOM 0 HZ2 LYS A 31 -1.349 -13.358 -17.302 1.00 61.43 H new ATOM 0 HZ3 LYS A 31 -0.264 -13.747 -18.548 1.00 61.43 H new ATOM 517 N ASN A 32 1.800 -5.943 -17.469 1.00 32.52 N ATOM 518 CA ASN A 32 1.518 -4.673 -18.166 1.00 54.44 C ATOM 519 C ASN A 32 1.935 -3.452 -17.289 1.00 4.21 C ATOM 520 O ASN A 32 1.095 -2.903 -16.564 1.00 3.32 O ATOM 521 CB ASN A 32 0.005 -4.616 -18.531 1.00 12.45 C ATOM 522 CG ASN A 32 -0.439 -5.774 -19.431 1.00 63.40 C ATOM 523 OD1 ASN A 32 0.285 -6.189 -20.328 1.00 42.11 O ATOM 524 ND2 ASN A 32 -1.611 -6.324 -19.181 1.00 41.43 N ATOM 0 H ASN A 32 1.225 -6.088 -16.639 1.00 32.52 H new ATOM 0 HA ASN A 32 2.106 -4.626 -19.083 1.00 54.44 H new ATOM 0 HB2 ASN A 32 -0.585 -4.629 -17.614 1.00 12.45 H new ATOM 0 HB3 ASN A 32 -0.207 -3.672 -19.033 1.00 12.45 H new ATOM 0 HD21 ASN A 32 -1.933 -7.114 -19.740 1.00 41.43 H new ATOM 0 HD22 ASN A 32 -2.195 -5.960 -18.428 1.00 41.43 H new ATOM 531 N PRO A 33 3.246 -3.011 -17.330 1.00 63.05 N ATOM 532 CA PRO A 33 3.785 -1.976 -16.392 1.00 44.43 C ATOM 533 C PRO A 33 3.090 -0.591 -16.512 1.00 44.05 C ATOM 534 O PRO A 33 2.876 0.095 -15.507 1.00 73.01 O ATOM 535 CB PRO A 33 5.297 -1.900 -16.769 1.00 75.11 C ATOM 536 CG PRO A 33 5.359 -2.391 -18.184 1.00 15.02 C ATOM 537 CD PRO A 33 4.299 -3.470 -18.281 1.00 33.13 C ATOM 0 HA PRO A 33 3.607 -2.249 -15.352 1.00 44.43 H new ATOM 0 HB2 PRO A 33 5.676 -0.881 -16.686 1.00 75.11 H new ATOM 0 HB3 PRO A 33 5.902 -2.520 -16.107 1.00 75.11 H new ATOM 0 HG2 PRO A 33 5.163 -1.583 -18.889 1.00 15.02 H new ATOM 0 HG3 PRO A 33 6.347 -2.788 -18.420 1.00 15.02 H new ATOM 0 HD2 PRO A 33 3.911 -3.561 -19.296 1.00 33.13 H new ATOM 0 HD3 PRO A 33 4.694 -4.447 -18.002 1.00 33.13 H new ATOM 545 N GLU A 34 2.692 -0.229 -17.743 1.00 24.02 N ATOM 546 CA GLU A 34 2.130 1.104 -18.069 1.00 50.13 C ATOM 547 C GLU A 34 0.604 1.193 -17.817 1.00 50.30 C ATOM 548 O GLU A 34 -0.039 2.165 -18.232 1.00 70.42 O ATOM 549 CB GLU A 34 2.467 1.439 -19.548 1.00 14.31 C ATOM 550 CG GLU A 34 3.977 1.410 -19.870 1.00 70.55 C ATOM 551 CD GLU A 34 4.287 1.673 -21.352 1.00 31.04 C ATOM 552 OE1 GLU A 34 4.459 2.848 -21.735 1.00 41.25 O ATOM 553 OE2 GLU A 34 4.354 0.705 -22.141 1.00 61.12 O ATOM 0 H GLU A 34 2.749 -0.852 -18.548 1.00 24.02 H new ATOM 0 HA GLU A 34 2.585 1.836 -17.402 1.00 50.13 H new ATOM 0 HB2 GLU A 34 1.954 0.729 -20.197 1.00 14.31 H new ATOM 0 HB3 GLU A 34 2.074 2.428 -19.784 1.00 14.31 H new ATOM 0 HG2 GLU A 34 4.486 2.157 -19.261 1.00 70.55 H new ATOM 0 HG3 GLU A 34 4.383 0.439 -19.588 1.00 70.55 H new ATOM 560 N ASP A 35 0.029 0.192 -17.113 1.00 72.02 N ATOM 561 CA ASP A 35 -1.411 0.175 -16.792 1.00 44.32 C ATOM 562 C ASP A 35 -1.702 1.111 -15.585 1.00 34.34 C ATOM 563 O ASP A 35 -1.786 0.664 -14.428 1.00 32.21 O ATOM 564 CB ASP A 35 -1.900 -1.278 -16.518 1.00 32.43 C ATOM 565 CG ASP A 35 -3.427 -1.446 -16.671 1.00 65.14 C ATOM 566 OD1 ASP A 35 -4.197 -0.682 -16.046 1.00 30.00 O ATOM 567 OD2 ASP A 35 -3.866 -2.332 -17.434 1.00 13.52 O ATOM 0 H ASP A 35 0.543 -0.614 -16.757 1.00 72.02 H new ATOM 0 HA ASP A 35 -1.967 0.549 -17.652 1.00 44.32 H new ATOM 0 HB2 ASP A 35 -1.396 -1.959 -17.203 1.00 32.43 H new ATOM 0 HB3 ASP A 35 -1.609 -1.568 -15.508 1.00 32.43 H new ATOM 572 N MET A 36 -1.848 2.415 -15.874 1.00 63.31 N ATOM 573 CA MET A 36 -2.085 3.446 -14.842 1.00 13.21 C ATOM 574 C MET A 36 -3.502 3.401 -14.254 1.00 24.21 C ATOM 575 O MET A 36 -3.719 3.921 -13.165 1.00 34.34 O ATOM 576 CB MET A 36 -1.735 4.857 -15.381 1.00 70.14 C ATOM 577 CG MET A 36 -0.229 5.089 -15.431 1.00 72.52 C ATOM 578 SD MET A 36 0.480 4.836 -13.791 1.00 62.41 S ATOM 579 CE MET A 36 2.173 4.458 -14.166 1.00 65.33 C ATOM 0 H MET A 36 -1.806 2.786 -16.823 1.00 63.31 H new ATOM 0 HA MET A 36 -1.414 3.217 -14.014 1.00 13.21 H new ATOM 0 HB2 MET A 36 -2.154 4.978 -16.380 1.00 70.14 H new ATOM 0 HB3 MET A 36 -2.198 5.613 -14.747 1.00 70.14 H new ATOM 0 HG2 MET A 36 0.230 4.406 -16.146 1.00 72.52 H new ATOM 0 HG3 MET A 36 -0.018 6.101 -15.777 1.00 72.52 H new ATOM 0 HE1 MET A 36 2.798 4.696 -13.305 1.00 65.33 H new ATOM 0 HE2 MET A 36 2.266 3.397 -14.400 1.00 65.33 H new ATOM 0 HE3 MET A 36 2.496 5.048 -15.023 1.00 65.33 H new ATOM 589 N GLU A 37 -4.447 2.781 -14.978 1.00 20.02 N ATOM 590 CA GLU A 37 -5.796 2.468 -14.447 1.00 65.51 C ATOM 591 C GLU A 37 -5.692 1.570 -13.181 1.00 61.33 C ATOM 592 O GLU A 37 -6.343 1.826 -12.162 1.00 23.13 O ATOM 593 CB GLU A 37 -6.644 1.754 -15.533 1.00 21.22 C ATOM 594 CG GLU A 37 -8.111 1.462 -15.138 1.00 22.53 C ATOM 595 CD GLU A 37 -8.980 2.725 -15.010 1.00 13.24 C ATOM 596 OE1 GLU A 37 -9.173 3.433 -16.025 1.00 51.33 O ATOM 597 OE2 GLU A 37 -9.476 3.017 -13.903 1.00 24.02 O ATOM 0 H GLU A 37 -4.305 2.481 -15.943 1.00 20.02 H new ATOM 0 HA GLU A 37 -6.283 3.403 -14.171 1.00 65.51 H new ATOM 0 HB2 GLU A 37 -6.643 2.368 -16.434 1.00 21.22 H new ATOM 0 HB3 GLU A 37 -6.159 0.812 -15.788 1.00 21.22 H new ATOM 0 HG2 GLU A 37 -8.554 0.801 -15.883 1.00 22.53 H new ATOM 0 HG3 GLU A 37 -8.123 0.926 -14.189 1.00 22.53 H new ATOM 604 N TYR A 38 -4.845 0.527 -13.260 1.00 2.45 N ATOM 605 CA TYR A 38 -4.546 -0.362 -12.114 1.00 53.12 C ATOM 606 C TYR A 38 -3.696 0.345 -11.035 1.00 62.04 C ATOM 607 O TYR A 38 -3.845 0.053 -9.851 1.00 50.42 O ATOM 608 CB TYR A 38 -3.887 -1.692 -12.597 1.00 2.52 C ATOM 609 CG TYR A 38 -4.923 -2.798 -12.850 1.00 25.23 C ATOM 610 CD1 TYR A 38 -5.543 -3.440 -11.778 1.00 60.32 C ATOM 611 CD2 TYR A 38 -5.297 -3.183 -14.137 1.00 0.03 C ATOM 612 CE1 TYR A 38 -6.493 -4.417 -11.983 1.00 53.40 C ATOM 613 CE2 TYR A 38 -6.248 -4.161 -14.346 1.00 1.01 C ATOM 614 CZ TYR A 38 -6.840 -4.780 -13.263 1.00 3.35 C ATOM 615 OH TYR A 38 -7.782 -5.766 -13.465 1.00 1.14 O ATOM 0 H TYR A 38 -4.349 0.275 -14.115 1.00 2.45 H new ATOM 0 HA TYR A 38 -5.494 -0.615 -11.640 1.00 53.12 H new ATOM 0 HB2 TYR A 38 -3.327 -1.505 -13.513 1.00 2.52 H new ATOM 0 HB3 TYR A 38 -3.171 -2.032 -11.849 1.00 2.52 H new ATOM 0 HD1 TYR A 38 -5.274 -3.166 -10.769 1.00 60.32 H new ATOM 0 HD2 TYR A 38 -4.833 -2.706 -14.988 1.00 0.03 H new ATOM 0 HE1 TYR A 38 -6.965 -4.897 -11.139 1.00 53.40 H new ATOM 0 HE2 TYR A 38 -6.528 -4.441 -15.351 1.00 1.01 H new ATOM 0 HH TYR A 38 -7.913 -5.901 -14.427 1.00 1.14 H new ATOM 625 N TRP A 39 -2.825 1.287 -11.443 1.00 55.04 N ATOM 626 CA TRP A 39 -2.070 2.137 -10.482 1.00 62.12 C ATOM 627 C TRP A 39 -2.989 3.121 -9.717 1.00 23.42 C ATOM 628 O TRP A 39 -2.666 3.506 -8.594 1.00 61.33 O ATOM 629 CB TRP A 39 -0.900 2.886 -11.175 1.00 4.35 C ATOM 630 CG TRP A 39 0.275 1.985 -11.509 1.00 72.34 C ATOM 631 CD1 TRP A 39 0.726 1.623 -12.747 1.00 71.33 C ATOM 632 CD2 TRP A 39 1.130 1.315 -10.567 1.00 74.43 C ATOM 633 NE1 TRP A 39 1.816 0.805 -12.630 1.00 44.41 N ATOM 634 CE2 TRP A 39 2.071 0.583 -11.302 1.00 21.21 C ATOM 635 CE3 TRP A 39 1.188 1.261 -9.172 1.00 10.51 C ATOM 636 CZ2 TRP A 39 3.060 -0.191 -10.695 1.00 1.40 C ATOM 637 CZ3 TRP A 39 2.163 0.491 -8.570 1.00 24.20 C ATOM 638 CH2 TRP A 39 3.090 -0.229 -9.332 1.00 0.21 C ATOM 0 H TRP A 39 -2.622 1.484 -12.423 1.00 55.04 H new ATOM 0 HA TRP A 39 -1.641 1.461 -9.743 1.00 62.12 H new ATOM 0 HB2 TRP A 39 -1.266 3.349 -12.091 1.00 4.35 H new ATOM 0 HB3 TRP A 39 -0.558 3.692 -10.525 1.00 4.35 H new ATOM 0 HD1 TRP A 39 0.286 1.937 -13.682 1.00 71.33 H new ATOM 0 HE1 TRP A 39 2.353 0.421 -13.407 1.00 44.41 H new ATOM 0 HE3 TRP A 39 0.480 1.814 -8.573 1.00 10.51 H new ATOM 0 HZ2 TRP A 39 3.778 -0.742 -11.285 1.00 1.40 H new ATOM 0 HZ3 TRP A 39 2.211 0.443 -7.492 1.00 24.20 H new ATOM 0 HH2 TRP A 39 3.841 -0.824 -8.833 1.00 0.21 H new ATOM 649 N ASN A 40 -4.119 3.531 -10.328 1.00 12.33 N ATOM 650 CA ASN A 40 -5.164 4.338 -9.638 1.00 44.33 C ATOM 651 C ASN A 40 -5.811 3.527 -8.498 1.00 40.44 C ATOM 652 O ASN A 40 -6.014 4.041 -7.395 1.00 65.11 O ATOM 653 CB ASN A 40 -6.251 4.799 -10.638 1.00 0.41 C ATOM 654 CG ASN A 40 -5.721 5.660 -11.783 1.00 73.01 C ATOM 655 OD1 ASN A 40 -6.286 5.687 -12.872 1.00 43.12 O ATOM 656 ND2 ASN A 40 -4.627 6.364 -11.569 1.00 4.11 N ATOM 0 H ASN A 40 -4.338 3.319 -11.301 1.00 12.33 H new ATOM 0 HA ASN A 40 -4.682 5.219 -9.215 1.00 44.33 H new ATOM 0 HB2 ASN A 40 -6.741 3.920 -11.056 1.00 0.41 H new ATOM 0 HB3 ASN A 40 -7.012 5.361 -10.097 1.00 0.41 H new ATOM 0 HD21 ASN A 40 -4.238 6.942 -12.314 1.00 4.11 H new ATOM 0 HD22 ASN A 40 -4.169 6.331 -10.658 1.00 4.11 H new ATOM 663 N LYS A 41 -6.117 2.251 -8.799 1.00 31.03 N ATOM 664 CA LYS A 41 -6.614 1.269 -7.791 1.00 13.51 C ATOM 665 C LYS A 41 -5.653 1.173 -6.579 1.00 14.41 C ATOM 666 O LYS A 41 -6.044 1.410 -5.433 1.00 24.43 O ATOM 667 CB LYS A 41 -6.770 -0.149 -8.426 1.00 32.10 C ATOM 668 CG LYS A 41 -7.898 -0.300 -9.467 1.00 43.44 C ATOM 669 CD LYS A 41 -9.312 -0.071 -8.869 1.00 23.40 C ATOM 670 CE LYS A 41 -9.607 -0.964 -7.642 1.00 55.31 C ATOM 671 NZ LYS A 41 -9.373 -2.406 -7.911 1.00 3.45 N ATOM 0 H LYS A 41 -6.031 1.864 -9.739 1.00 31.03 H new ATOM 0 HA LYS A 41 -7.586 1.625 -7.449 1.00 13.51 H new ATOM 0 HB2 LYS A 41 -5.826 -0.420 -8.899 1.00 32.10 H new ATOM 0 HB3 LYS A 41 -6.942 -0.868 -7.625 1.00 32.10 H new ATOM 0 HG2 LYS A 41 -7.734 0.410 -10.278 1.00 43.44 H new ATOM 0 HG3 LYS A 41 -7.851 -1.298 -9.903 1.00 43.44 H new ATOM 0 HD2 LYS A 41 -9.412 0.975 -8.581 1.00 23.40 H new ATOM 0 HD3 LYS A 41 -10.060 -0.263 -9.638 1.00 23.40 H new ATOM 0 HE2 LYS A 41 -8.979 -0.648 -6.809 1.00 55.31 H new ATOM 0 HE3 LYS A 41 -10.643 -0.820 -7.334 1.00 55.31 H new ATOM 0 HZ1 LYS A 41 -9.666 -2.965 -7.085 1.00 3.45 H new ATOM 0 HZ2 LYS A 41 -9.927 -2.699 -8.741 1.00 3.45 H new ATOM 0 HZ3 LYS A 41 -8.362 -2.565 -8.096 1.00 3.45 H new ATOM 685 N ILE A 42 -4.381 0.888 -6.890 1.00 52.12 N ATOM 686 CA ILE A 42 -3.292 0.724 -5.903 1.00 42.13 C ATOM 687 C ILE A 42 -3.092 2.005 -5.048 1.00 24.31 C ATOM 688 O ILE A 42 -2.997 1.930 -3.824 1.00 41.41 O ATOM 689 CB ILE A 42 -1.960 0.339 -6.661 1.00 15.10 C ATOM 690 CG1 ILE A 42 -2.146 -1.034 -7.401 1.00 10.32 C ATOM 691 CG2 ILE A 42 -0.721 0.313 -5.721 1.00 53.22 C ATOM 692 CD1 ILE A 42 -1.111 -1.347 -8.470 1.00 51.53 C ATOM 0 H ILE A 42 -4.069 0.761 -7.853 1.00 52.12 H new ATOM 0 HA ILE A 42 -3.564 -0.076 -5.214 1.00 42.13 H new ATOM 0 HB ILE A 42 -1.762 1.117 -7.398 1.00 15.10 H new ATOM 0 HG12 ILE A 42 -2.129 -1.832 -6.659 1.00 10.32 H new ATOM 0 HG13 ILE A 42 -3.134 -1.048 -7.861 1.00 10.32 H new ATOM 0 HG21 ILE A 42 0.165 0.043 -6.295 1.00 53.22 H new ATOM 0 HG22 ILE A 42 -0.580 1.299 -5.278 1.00 53.22 H new ATOM 0 HG23 ILE A 42 -0.879 -0.421 -4.931 1.00 53.22 H new ATOM 0 HD11 ILE A 42 -1.332 -2.316 -8.918 1.00 51.53 H new ATOM 0 HD12 ILE A 42 -1.139 -0.577 -9.241 1.00 51.53 H new ATOM 0 HD13 ILE A 42 -0.119 -1.373 -8.019 1.00 51.53 H new ATOM 704 N TYR A 43 -3.096 3.173 -5.714 1.00 31.22 N ATOM 705 CA TYR A 43 -2.831 4.486 -5.074 1.00 0.04 C ATOM 706 C TYR A 43 -3.901 4.851 -4.009 1.00 31.41 C ATOM 707 O TYR A 43 -3.566 5.345 -2.927 1.00 43.02 O ATOM 708 CB TYR A 43 -2.756 5.592 -6.157 1.00 64.44 C ATOM 709 CG TYR A 43 -2.298 6.964 -5.633 1.00 34.32 C ATOM 710 CD1 TYR A 43 -1.031 7.114 -5.064 1.00 43.11 C ATOM 711 CD2 TYR A 43 -3.122 8.093 -5.697 1.00 44.01 C ATOM 712 CE1 TYR A 43 -0.606 8.334 -4.586 1.00 20.05 C ATOM 713 CE2 TYR A 43 -2.691 9.318 -5.221 1.00 33.14 C ATOM 714 CZ TYR A 43 -1.432 9.429 -4.666 1.00 24.10 C ATOM 715 OH TYR A 43 -0.990 10.646 -4.195 1.00 72.11 O ATOM 0 H TYR A 43 -3.283 3.240 -6.714 1.00 31.22 H new ATOM 0 HA TYR A 43 -1.875 4.411 -4.556 1.00 0.04 H new ATOM 0 HB2 TYR A 43 -2.072 5.269 -6.942 1.00 64.44 H new ATOM 0 HB3 TYR A 43 -3.739 5.701 -6.616 1.00 64.44 H new ATOM 0 HD1 TYR A 43 -0.374 6.259 -4.998 1.00 43.11 H new ATOM 0 HD2 TYR A 43 -4.110 8.007 -6.125 1.00 44.01 H new ATOM 0 HE1 TYR A 43 0.377 8.430 -4.148 1.00 20.05 H new ATOM 0 HE2 TYR A 43 -3.336 10.182 -5.283 1.00 33.14 H new ATOM 0 HH TYR A 43 -1.689 11.320 -4.324 1.00 72.11 H new ATOM 725 N ARG A 44 -5.184 4.594 -4.336 1.00 61.33 N ATOM 726 CA ARG A 44 -6.327 4.844 -3.415 1.00 43.13 C ATOM 727 C ARG A 44 -6.245 3.956 -2.155 1.00 23.12 C ATOM 728 O ARG A 44 -6.444 4.424 -1.030 1.00 13.54 O ATOM 729 CB ARG A 44 -7.668 4.582 -4.145 1.00 2.20 C ATOM 730 CG ARG A 44 -7.938 5.512 -5.347 1.00 13.41 C ATOM 731 CD ARG A 44 -9.163 5.074 -6.169 1.00 61.01 C ATOM 732 NE ARG A 44 -9.383 5.965 -7.323 1.00 40.40 N ATOM 733 CZ ARG A 44 -9.475 5.589 -8.577 1.00 4.23 C ATOM 734 NH1 ARG A 44 -9.342 4.343 -8.915 1.00 5.14 N ATOM 735 NH2 ARG A 44 -9.683 6.471 -9.488 1.00 43.44 N ATOM 0 H ARG A 44 -5.463 4.210 -5.239 1.00 61.33 H new ATOM 0 HA ARG A 44 -6.276 5.887 -3.102 1.00 43.13 H new ATOM 0 HB2 ARG A 44 -7.682 3.549 -4.492 1.00 2.20 H new ATOM 0 HB3 ARG A 44 -8.483 4.689 -3.429 1.00 2.20 H new ATOM 0 HG2 ARG A 44 -8.091 6.530 -4.987 1.00 13.41 H new ATOM 0 HG3 ARG A 44 -7.060 5.531 -5.992 1.00 13.41 H new ATOM 0 HD2 ARG A 44 -9.022 4.051 -6.519 1.00 61.01 H new ATOM 0 HD3 ARG A 44 -10.048 5.074 -5.533 1.00 61.01 H new ATOM 0 HE ARG A 44 -9.472 6.963 -7.129 1.00 40.40 H new ATOM 0 HH11 ARG A 44 -9.163 3.637 -8.201 1.00 5.14 H new ATOM 0 HH12 ARG A 44 -9.417 4.070 -9.895 1.00 5.14 H new ATOM 0 HH21 ARG A 44 -9.775 7.455 -9.234 1.00 43.44 H new ATOM 0 HH22 ARG A 44 -9.756 6.188 -10.465 1.00 43.44 H new ATOM 749 N LEU A 45 -5.936 2.668 -2.362 1.00 71.42 N ATOM 750 CA LEU A 45 -5.876 1.676 -1.270 1.00 33.24 C ATOM 751 C LEU A 45 -4.660 1.926 -0.341 1.00 3.40 C ATOM 752 O LEU A 45 -4.771 1.777 0.873 1.00 21.30 O ATOM 753 CB LEU A 45 -5.867 0.244 -1.858 1.00 72.24 C ATOM 754 CG LEU A 45 -7.067 -0.111 -2.807 1.00 40.20 C ATOM 755 CD1 LEU A 45 -6.967 -1.561 -3.334 1.00 63.12 C ATOM 756 CD2 LEU A 45 -8.430 0.159 -2.129 1.00 73.31 C ATOM 0 H LEU A 45 -5.722 2.283 -3.282 1.00 71.42 H new ATOM 0 HA LEU A 45 -6.767 1.785 -0.652 1.00 33.24 H new ATOM 0 HB2 LEU A 45 -4.938 0.104 -2.410 1.00 72.24 H new ATOM 0 HB3 LEU A 45 -5.858 -0.468 -1.032 1.00 72.24 H new ATOM 0 HG LEU A 45 -7.002 0.550 -3.671 1.00 40.20 H new ATOM 0 HD11 LEU A 45 -7.814 -1.770 -3.987 1.00 63.12 H new ATOM 0 HD12 LEU A 45 -6.039 -1.682 -3.893 1.00 63.12 H new ATOM 0 HD13 LEU A 45 -6.977 -2.255 -2.494 1.00 63.12 H new ATOM 0 HD21 LEU A 45 -9.236 -0.099 -2.816 1.00 73.31 H new ATOM 0 HD22 LEU A 45 -8.514 -0.448 -1.227 1.00 73.31 H new ATOM 0 HD23 LEU A 45 -8.502 1.214 -1.864 1.00 73.31 H new ATOM 768 N VAL A 46 -3.519 2.352 -0.922 1.00 43.23 N ATOM 769 CA VAL A 46 -2.302 2.719 -0.146 1.00 2.34 C ATOM 770 C VAL A 46 -2.500 4.053 0.625 1.00 63.41 C ATOM 771 O VAL A 46 -1.979 4.216 1.734 1.00 44.21 O ATOM 772 CB VAL A 46 -1.019 2.791 -1.059 1.00 43.24 C ATOM 773 CG1 VAL A 46 0.217 3.323 -0.278 1.00 25.34 C ATOM 774 CG2 VAL A 46 -0.719 1.398 -1.680 1.00 4.30 C ATOM 0 H VAL A 46 -3.409 2.453 -1.931 1.00 43.23 H new ATOM 0 HA VAL A 46 -2.144 1.924 0.583 1.00 2.34 H new ATOM 0 HB VAL A 46 -1.224 3.498 -1.863 1.00 43.24 H new ATOM 0 HG11 VAL A 46 1.080 3.357 -0.943 1.00 25.34 H new ATOM 0 HG12 VAL A 46 0.007 4.325 0.096 1.00 25.34 H new ATOM 0 HG13 VAL A 46 0.431 2.660 0.560 1.00 25.34 H new ATOM 0 HG21 VAL A 46 0.170 1.463 -2.308 1.00 4.30 H new ATOM 0 HG22 VAL A 46 -0.548 0.674 -0.884 1.00 4.30 H new ATOM 0 HG23 VAL A 46 -1.568 1.079 -2.285 1.00 4.30 H new ATOM 784 N HIS A 47 -3.277 4.996 0.039 1.00 2.44 N ATOM 785 CA HIS A 47 -3.681 6.247 0.737 1.00 44.43 C ATOM 786 C HIS A 47 -4.468 5.916 2.028 1.00 10.22 C ATOM 787 O HIS A 47 -4.297 6.574 3.058 1.00 23.34 O ATOM 788 CB HIS A 47 -4.525 7.166 -0.189 1.00 12.02 C ATOM 789 CG HIS A 47 -4.977 8.450 0.479 1.00 53.35 C ATOM 790 ND1 HIS A 47 -6.286 8.701 0.836 1.00 40.43 N ATOM 791 CD2 HIS A 47 -4.281 9.551 0.865 1.00 31.03 C ATOM 792 CE1 HIS A 47 -6.375 9.881 1.408 1.00 60.41 C ATOM 793 NE2 HIS A 47 -5.175 10.414 1.440 1.00 15.21 N ATOM 0 H HIS A 47 -3.637 4.917 -0.912 1.00 2.44 H new ATOM 0 HA HIS A 47 -2.773 6.786 1.006 1.00 44.43 H new ATOM 0 HB2 HIS A 47 -3.938 7.414 -1.074 1.00 12.02 H new ATOM 0 HB3 HIS A 47 -5.402 6.616 -0.531 1.00 12.02 H new ATOM 0 HD2 HIS A 47 -3.221 9.715 0.741 1.00 31.03 H new ATOM 0 HE1 HIS A 47 -7.279 10.334 1.787 1.00 60.41 H new ATOM 0 HE2 HIS A 47 -4.945 11.327 1.832 1.00 15.21 H new ATOM 802 N THR A 48 -5.309 4.871 1.948 1.00 0.03 N ATOM 803 CA THR A 48 -6.061 4.355 3.107 1.00 2.43 C ATOM 804 C THR A 48 -5.099 3.724 4.153 1.00 11.13 C ATOM 805 O THR A 48 -5.203 4.025 5.332 1.00 55.40 O ATOM 806 CB THR A 48 -7.135 3.305 2.671 1.00 50.30 C ATOM 807 OG1 THR A 48 -7.969 3.852 1.636 1.00 11.31 O ATOM 808 CG2 THR A 48 -8.012 2.841 3.855 1.00 70.41 C ATOM 0 H THR A 48 -5.487 4.361 1.083 1.00 0.03 H new ATOM 0 HA THR A 48 -6.575 5.201 3.563 1.00 2.43 H new ATOM 0 HB THR A 48 -6.600 2.433 2.294 1.00 50.30 H new ATOM 0 HG1 THR A 48 -7.432 4.009 0.832 1.00 11.31 H new ATOM 0 HG21 THR A 48 -8.743 2.113 3.503 1.00 70.41 H new ATOM 0 HG22 THR A 48 -7.382 2.383 4.617 1.00 70.41 H new ATOM 0 HG23 THR A 48 -8.532 3.699 4.281 1.00 70.41 H new ATOM 816 N MET A 49 -4.151 2.872 3.690 1.00 11.14 N ATOM 817 CA MET A 49 -3.123 2.218 4.565 1.00 74.14 C ATOM 818 C MET A 49 -2.266 3.239 5.353 1.00 55.10 C ATOM 819 O MET A 49 -1.967 3.034 6.538 1.00 44.35 O ATOM 820 CB MET A 49 -2.181 1.333 3.719 1.00 13.12 C ATOM 821 CG MET A 49 -2.877 0.218 2.966 1.00 34.24 C ATOM 822 SD MET A 49 -1.776 -0.626 1.828 1.00 24.04 S ATOM 823 CE MET A 49 -2.954 -1.652 0.974 1.00 21.12 C ATOM 0 H MET A 49 -4.070 2.614 2.706 1.00 11.14 H new ATOM 0 HA MET A 49 -3.676 1.614 5.284 1.00 74.14 H new ATOM 0 HB2 MET A 49 -1.655 1.965 3.003 1.00 13.12 H new ATOM 0 HB3 MET A 49 -1.427 0.897 4.374 1.00 13.12 H new ATOM 0 HG2 MET A 49 -3.281 -0.502 3.678 1.00 34.24 H new ATOM 0 HG3 MET A 49 -3.722 0.628 2.413 1.00 34.24 H new ATOM 0 HE1 MET A 49 -2.450 -2.197 0.176 1.00 21.12 H new ATOM 0 HE2 MET A 49 -3.395 -2.360 1.675 1.00 21.12 H new ATOM 0 HE3 MET A 49 -3.739 -1.027 0.547 1.00 21.12 H new ATOM 833 N LYS A 50 -1.861 4.324 4.668 1.00 64.04 N ATOM 834 CA LYS A 50 -1.106 5.425 5.292 1.00 11.23 C ATOM 835 C LYS A 50 -1.962 6.122 6.362 1.00 43.33 C ATOM 836 O LYS A 50 -1.498 6.374 7.467 1.00 21.23 O ATOM 837 CB LYS A 50 -0.635 6.443 4.224 1.00 41.14 C ATOM 838 CG LYS A 50 0.313 7.537 4.775 1.00 61.42 C ATOM 839 CD LYS A 50 0.864 8.483 3.681 1.00 54.32 C ATOM 840 CE LYS A 50 -0.239 9.284 2.959 1.00 1.35 C ATOM 841 NZ LYS A 50 -0.963 10.211 3.869 1.00 15.05 N ATOM 0 H LYS A 50 -2.046 4.462 3.674 1.00 64.04 H new ATOM 0 HA LYS A 50 -0.223 5.005 5.773 1.00 11.23 H new ATOM 0 HB2 LYS A 50 -0.127 5.906 3.423 1.00 41.14 H new ATOM 0 HB3 LYS A 50 -1.509 6.922 3.782 1.00 41.14 H new ATOM 0 HG2 LYS A 50 -0.220 8.127 5.520 1.00 61.42 H new ATOM 0 HG3 LYS A 50 1.149 7.059 5.286 1.00 61.42 H new ATOM 0 HD2 LYS A 50 1.572 9.178 4.133 1.00 54.32 H new ATOM 0 HD3 LYS A 50 1.417 7.897 2.948 1.00 54.32 H new ATOM 0 HE2 LYS A 50 0.206 9.855 2.144 1.00 1.35 H new ATOM 0 HE3 LYS A 50 -0.951 8.591 2.511 1.00 1.35 H new ATOM 0 HZ1 LYS A 50 -1.796 10.597 3.381 1.00 15.05 H new ATOM 0 HZ2 LYS A 50 -1.268 9.695 4.719 1.00 15.05 H new ATOM 0 HZ3 LYS A 50 -0.332 10.990 4.144 1.00 15.05 H new ATOM 855 N GLU A 51 -3.228 6.379 6.017 1.00 32.35 N ATOM 856 CA GLU A 51 -4.218 6.971 6.931 1.00 42.20 C ATOM 857 C GLU A 51 -4.434 6.100 8.203 1.00 22.54 C ATOM 858 O GLU A 51 -4.620 6.637 9.298 1.00 23.33 O ATOM 859 CB GLU A 51 -5.552 7.144 6.169 1.00 30.22 C ATOM 860 CG GLU A 51 -6.694 7.750 6.993 1.00 22.22 C ATOM 861 CD GLU A 51 -8.017 7.821 6.216 1.00 33.03 C ATOM 862 OE1 GLU A 51 -8.797 6.845 6.261 1.00 2.25 O ATOM 863 OE2 GLU A 51 -8.263 8.833 5.523 1.00 2.54 O ATOM 0 H GLU A 51 -3.600 6.181 5.088 1.00 32.35 H new ATOM 0 HA GLU A 51 -3.844 7.938 7.269 1.00 42.20 H new ATOM 0 HB2 GLU A 51 -5.377 7.776 5.299 1.00 30.22 H new ATOM 0 HB3 GLU A 51 -5.870 6.170 5.797 1.00 30.22 H new ATOM 0 HG2 GLU A 51 -6.839 7.156 7.895 1.00 22.22 H new ATOM 0 HG3 GLU A 51 -6.412 8.753 7.313 1.00 22.22 H new ATOM 870 N ILE A 52 -4.404 4.758 8.026 1.00 43.14 N ATOM 871 CA ILE A 52 -4.539 3.772 9.131 1.00 13.42 C ATOM 872 C ILE A 52 -3.421 3.963 10.184 1.00 24.54 C ATOM 873 O ILE A 52 -3.702 4.173 11.369 1.00 51.33 O ATOM 874 CB ILE A 52 -4.522 2.284 8.579 1.00 43.35 C ATOM 875 CG1 ILE A 52 -5.773 2.009 7.676 1.00 54.31 C ATOM 876 CG2 ILE A 52 -4.423 1.237 9.726 1.00 24.00 C ATOM 877 CD1 ILE A 52 -5.788 0.652 6.978 1.00 41.45 C ATOM 0 H ILE A 52 -4.285 4.325 7.110 1.00 43.14 H new ATOM 0 HA ILE A 52 -5.502 3.949 9.611 1.00 13.42 H new ATOM 0 HB ILE A 52 -3.626 2.177 7.968 1.00 43.35 H new ATOM 0 HG12 ILE A 52 -6.669 2.093 8.290 1.00 54.31 H new ATOM 0 HG13 ILE A 52 -5.832 2.790 6.918 1.00 54.31 H new ATOM 0 HG21 ILE A 52 -4.414 0.233 9.302 1.00 24.00 H new ATOM 0 HG22 ILE A 52 -3.505 1.401 10.290 1.00 24.00 H new ATOM 0 HG23 ILE A 52 -5.281 1.343 10.390 1.00 24.00 H new ATOM 0 HD11 ILE A 52 -6.694 0.561 6.379 1.00 41.45 H new ATOM 0 HD12 ILE A 52 -4.915 0.566 6.331 1.00 41.45 H new ATOM 0 HD13 ILE A 52 -5.766 -0.142 7.725 1.00 41.45 H new ATOM 889 N THR A 53 -2.157 3.908 9.739 1.00 43.03 N ATOM 890 CA THR A 53 -0.995 4.078 10.639 1.00 61.11 C ATOM 891 C THR A 53 -0.865 5.532 11.183 1.00 65.01 C ATOM 892 O THR A 53 -0.386 5.729 12.303 1.00 63.00 O ATOM 893 CB THR A 53 0.340 3.610 9.972 1.00 64.53 C ATOM 894 OG1 THR A 53 1.441 3.889 10.821 1.00 24.32 O ATOM 895 CG2 THR A 53 0.593 4.253 8.609 1.00 74.34 C ATOM 0 H THR A 53 -1.908 3.747 8.763 1.00 43.03 H new ATOM 0 HA THR A 53 -1.184 3.430 11.495 1.00 61.11 H new ATOM 0 HB THR A 53 0.236 2.536 9.816 1.00 64.53 H new ATOM 0 HG1 THR A 53 1.682 4.836 10.743 1.00 24.32 H new ATOM 0 HG21 THR A 53 1.535 3.885 8.202 1.00 74.34 H new ATOM 0 HG22 THR A 53 -0.220 3.997 7.930 1.00 74.34 H new ATOM 0 HG23 THR A 53 0.645 5.336 8.722 1.00 74.34 H new ATOM 903 N GLU A 54 -1.321 6.539 10.404 1.00 14.30 N ATOM 904 CA GLU A 54 -1.337 7.959 10.858 1.00 23.10 C ATOM 905 C GLU A 54 -2.349 8.174 12.012 1.00 44.34 C ATOM 906 O GLU A 54 -2.034 8.856 12.994 1.00 3.53 O ATOM 907 CB GLU A 54 -1.646 8.927 9.677 1.00 51.00 C ATOM 908 CG GLU A 54 -0.500 9.090 8.655 1.00 62.42 C ATOM 909 CD GLU A 54 -0.855 10.049 7.503 1.00 42.11 C ATOM 910 OE1 GLU A 54 -1.631 9.650 6.610 1.00 25.32 O ATOM 911 OE2 GLU A 54 -0.382 11.211 7.498 1.00 4.33 O ATOM 0 H GLU A 54 -1.683 6.401 9.460 1.00 14.30 H new ATOM 0 HA GLU A 54 -0.340 8.187 11.235 1.00 23.10 H new ATOM 0 HB2 GLU A 54 -2.532 8.568 9.154 1.00 51.00 H new ATOM 0 HB3 GLU A 54 -1.892 9.907 10.085 1.00 51.00 H new ATOM 0 HG2 GLU A 54 0.388 9.460 9.168 1.00 62.42 H new ATOM 0 HG3 GLU A 54 -0.246 8.113 8.243 1.00 62.42 H new ATOM 918 N THR A 55 -3.558 7.569 11.900 1.00 64.33 N ATOM 919 CA THR A 55 -4.606 7.674 12.955 1.00 3.04 C ATOM 920 C THR A 55 -4.269 6.777 14.179 1.00 22.25 C ATOM 921 O THR A 55 -4.783 6.999 15.279 1.00 4.54 O ATOM 922 CB THR A 55 -6.054 7.352 12.419 1.00 13.01 C ATOM 923 OG1 THR A 55 -7.036 7.713 13.409 1.00 73.43 O ATOM 924 CG2 THR A 55 -6.260 5.871 12.048 1.00 23.42 C ATOM 0 H THR A 55 -3.834 7.006 11.096 1.00 64.33 H new ATOM 0 HA THR A 55 -4.608 8.716 13.273 1.00 3.04 H new ATOM 0 HB THR A 55 -6.173 7.939 11.508 1.00 13.01 H new ATOM 0 HG1 THR A 55 -6.617 7.729 14.295 1.00 73.43 H new ATOM 0 HG21 THR A 55 -7.278 5.724 11.688 1.00 23.42 H new ATOM 0 HG22 THR A 55 -5.554 5.590 11.266 1.00 23.42 H new ATOM 0 HG23 THR A 55 -6.093 5.249 12.927 1.00 23.42 H new ATOM 932 N MET A 56 -3.414 5.751 13.959 1.00 10.24 N ATOM 933 CA MET A 56 -2.804 4.951 15.055 1.00 40.23 C ATOM 934 C MET A 56 -1.617 5.703 15.721 1.00 5.30 C ATOM 935 O MET A 56 -1.118 5.279 16.770 1.00 52.20 O ATOM 936 CB MET A 56 -2.335 3.565 14.522 1.00 33.20 C ATOM 937 CG MET A 56 -3.469 2.599 14.151 1.00 75.13 C ATOM 938 SD MET A 56 -2.848 0.995 13.589 1.00 42.34 S ATOM 939 CE MET A 56 -4.374 0.077 13.376 1.00 2.44 C ATOM 0 H MET A 56 -3.127 5.454 13.026 1.00 10.24 H new ATOM 0 HA MET A 56 -3.569 4.797 15.816 1.00 40.23 H new ATOM 0 HB2 MET A 56 -1.709 3.722 13.644 1.00 33.20 H new ATOM 0 HB3 MET A 56 -1.709 3.094 15.279 1.00 33.20 H new ATOM 0 HG2 MET A 56 -4.116 2.453 15.016 1.00 75.13 H new ATOM 0 HG3 MET A 56 -4.081 3.044 13.367 1.00 75.13 H new ATOM 0 HE1 MET A 56 -4.211 -0.742 12.675 1.00 2.44 H new ATOM 0 HE2 MET A 56 -4.693 -0.326 14.337 1.00 2.44 H new ATOM 0 HE3 MET A 56 -5.146 0.740 12.986 1.00 2.44 H new ATOM 949 N GLY A 57 -1.162 6.806 15.087 1.00 12.22 N ATOM 950 CA GLY A 57 -0.104 7.670 15.645 1.00 51.42 C ATOM 951 C GLY A 57 1.316 7.283 15.209 1.00 34.25 C ATOM 952 O GLY A 57 2.281 7.972 15.560 1.00 52.10 O ATOM 0 H GLY A 57 -1.515 7.118 14.183 1.00 12.22 H new ATOM 0 HA2 GLY A 57 -0.296 8.700 15.346 1.00 51.42 H new ATOM 0 HA3 GLY A 57 -0.160 7.638 16.733 1.00 51.42 H new ATOM 956 N PHE A 58 1.446 6.186 14.444 1.00 61.32 N ATOM 957 CA PHE A 58 2.746 5.681 13.964 1.00 24.31 C ATOM 958 C PHE A 58 3.236 6.484 12.731 1.00 72.04 C ATOM 959 O PHE A 58 2.927 6.139 11.591 1.00 13.15 O ATOM 960 CB PHE A 58 2.618 4.177 13.614 1.00 0.05 C ATOM 961 CG PHE A 58 2.419 3.244 14.807 1.00 1.12 C ATOM 962 CD1 PHE A 58 3.496 2.883 15.611 1.00 64.12 C ATOM 963 CD2 PHE A 58 1.161 2.728 15.117 1.00 52.31 C ATOM 964 CE1 PHE A 58 3.321 2.035 16.691 1.00 42.24 C ATOM 965 CE2 PHE A 58 0.986 1.878 16.198 1.00 22.13 C ATOM 966 CZ PHE A 58 2.068 1.532 16.983 1.00 64.14 C ATOM 0 H PHE A 58 0.652 5.623 14.140 1.00 61.32 H new ATOM 0 HA PHE A 58 3.484 5.807 14.756 1.00 24.31 H new ATOM 0 HB2 PHE A 58 1.778 4.050 12.930 1.00 0.05 H new ATOM 0 HB3 PHE A 58 3.515 3.868 13.078 1.00 0.05 H new ATOM 0 HD1 PHE A 58 4.480 3.269 15.390 1.00 64.12 H new ATOM 0 HD2 PHE A 58 0.311 2.994 14.506 1.00 52.31 H new ATOM 0 HE1 PHE A 58 4.166 1.766 17.307 1.00 42.24 H new ATOM 0 HE2 PHE A 58 0.005 1.487 16.426 1.00 22.13 H new ATOM 0 HZ PHE A 58 1.935 0.869 17.825 1.00 64.14 H new ATOM 976 N SER A 59 3.988 7.570 12.971 1.00 63.04 N ATOM 977 CA SER A 59 4.597 8.374 11.884 1.00 22.31 C ATOM 978 C SER A 59 5.815 7.657 11.267 1.00 1.33 C ATOM 979 O SER A 59 6.100 7.824 10.081 1.00 25.22 O ATOM 980 CB SER A 59 4.998 9.770 12.394 1.00 73.23 C ATOM 981 OG SER A 59 3.858 10.518 12.794 1.00 2.44 O ATOM 0 H SER A 59 4.193 7.917 13.908 1.00 63.04 H new ATOM 0 HA SER A 59 3.845 8.492 11.103 1.00 22.31 H new ATOM 0 HB2 SER A 59 5.684 9.670 13.235 1.00 73.23 H new ATOM 0 HB3 SER A 59 5.532 10.307 11.610 1.00 73.23 H new ATOM 0 HG SER A 59 4.141 11.399 13.115 1.00 2.44 H new ATOM 987 N SER A 60 6.516 6.848 12.089 1.00 35.11 N ATOM 988 CA SER A 60 7.656 6.004 11.639 1.00 64.42 C ATOM 989 C SER A 60 7.202 4.974 10.575 1.00 63.25 C ATOM 990 O SER A 60 7.863 4.785 9.547 1.00 65.34 O ATOM 991 CB SER A 60 8.286 5.266 12.847 1.00 51.40 C ATOM 992 OG SER A 60 8.718 6.176 13.850 1.00 2.14 O ATOM 0 H SER A 60 6.312 6.758 13.084 1.00 35.11 H new ATOM 0 HA SER A 60 8.401 6.659 11.188 1.00 64.42 H new ATOM 0 HB2 SER A 60 7.558 4.575 13.272 1.00 51.40 H new ATOM 0 HB3 SER A 60 9.133 4.669 12.508 1.00 51.40 H new ATOM 0 HG SER A 60 9.109 5.677 14.598 1.00 2.14 H new ATOM 998 N VAL A 61 6.053 4.324 10.844 1.00 3.02 N ATOM 999 CA VAL A 61 5.422 3.363 9.909 1.00 42.55 C ATOM 1000 C VAL A 61 4.803 4.100 8.696 1.00 52.32 C ATOM 1001 O VAL A 61 4.874 3.614 7.562 1.00 64.21 O ATOM 1002 CB VAL A 61 4.317 2.526 10.640 1.00 41.33 C ATOM 1003 CG1 VAL A 61 3.617 1.519 9.691 1.00 33.32 C ATOM 1004 CG2 VAL A 61 4.885 1.822 11.899 1.00 63.22 C ATOM 0 H VAL A 61 5.534 4.448 11.713 1.00 3.02 H new ATOM 0 HA VAL A 61 6.199 2.688 9.550 1.00 42.55 H new ATOM 0 HB VAL A 61 3.552 3.229 10.969 1.00 41.33 H new ATOM 0 HG11 VAL A 61 2.860 0.963 10.244 1.00 33.32 H new ATOM 0 HG12 VAL A 61 3.143 2.060 8.872 1.00 33.32 H new ATOM 0 HG13 VAL A 61 4.355 0.825 9.289 1.00 33.32 H new ATOM 0 HG21 VAL A 61 4.094 1.250 12.384 1.00 63.22 H new ATOM 0 HG22 VAL A 61 5.692 1.150 11.607 1.00 63.22 H new ATOM 0 HG23 VAL A 61 5.268 2.570 12.593 1.00 63.22 H new ATOM 1014 N ALA A 62 4.219 5.289 8.956 1.00 34.51 N ATOM 1015 CA ALA A 62 3.625 6.147 7.902 1.00 51.01 C ATOM 1016 C ALA A 62 4.653 6.519 6.815 1.00 33.12 C ATOM 1017 O ALA A 62 4.279 6.664 5.662 1.00 12.01 O ATOM 1018 CB ALA A 62 2.987 7.412 8.498 1.00 31.22 C ATOM 0 H ALA A 62 4.145 5.681 9.895 1.00 34.51 H new ATOM 0 HA ALA A 62 2.838 5.561 7.427 1.00 51.01 H new ATOM 0 HB1 ALA A 62 2.562 8.017 7.697 1.00 31.22 H new ATOM 0 HB2 ALA A 62 2.199 7.128 9.196 1.00 31.22 H new ATOM 0 HB3 ALA A 62 3.747 7.989 9.024 1.00 31.22 H new ATOM 1024 N LYS A 63 5.949 6.663 7.206 1.00 71.31 N ATOM 1025 CA LYS A 63 7.075 6.901 6.253 1.00 74.31 C ATOM 1026 C LYS A 63 7.191 5.776 5.193 1.00 3.35 C ATOM 1027 O LYS A 63 7.462 6.052 4.018 1.00 73.12 O ATOM 1028 CB LYS A 63 8.433 7.032 7.001 1.00 35.43 C ATOM 1029 CG LYS A 63 8.513 8.210 7.991 1.00 51.14 C ATOM 1030 CD LYS A 63 9.909 8.340 8.643 1.00 72.12 C ATOM 1031 CE LYS A 63 9.974 9.469 9.687 1.00 71.45 C ATOM 1032 NZ LYS A 63 11.351 9.673 10.205 1.00 71.05 N ATOM 0 H LYS A 63 6.243 6.618 8.182 1.00 71.31 H new ATOM 0 HA LYS A 63 6.848 7.838 5.744 1.00 74.31 H new ATOM 0 HB2 LYS A 63 8.624 6.106 7.543 1.00 35.43 H new ATOM 0 HB3 LYS A 63 9.229 7.140 6.264 1.00 35.43 H new ATOM 0 HG2 LYS A 63 8.271 9.136 7.469 1.00 51.14 H new ATOM 0 HG3 LYS A 63 7.762 8.078 8.770 1.00 51.14 H new ATOM 0 HD2 LYS A 63 10.173 7.395 9.119 1.00 72.12 H new ATOM 0 HD3 LYS A 63 10.652 8.525 7.867 1.00 72.12 H new ATOM 0 HE2 LYS A 63 9.614 10.396 9.241 1.00 71.45 H new ATOM 0 HE3 LYS A 63 9.306 9.234 10.516 1.00 71.45 H new ATOM 0 HZ1 LYS A 63 11.348 10.442 10.905 1.00 71.05 H new ATOM 0 HZ2 LYS A 63 11.686 8.797 10.655 1.00 71.05 H new ATOM 0 HZ3 LYS A 63 11.984 9.923 9.419 1.00 71.05 H new ATOM 1046 N VAL A 64 6.979 4.517 5.630 1.00 70.14 N ATOM 1047 CA VAL A 64 7.030 3.328 4.739 1.00 64.31 C ATOM 1048 C VAL A 64 5.908 3.393 3.675 1.00 55.01 C ATOM 1049 O VAL A 64 6.161 3.245 2.485 1.00 53.52 O ATOM 1050 CB VAL A 64 6.897 1.985 5.561 1.00 43.22 C ATOM 1051 CG1 VAL A 64 7.030 0.736 4.645 1.00 55.42 C ATOM 1052 CG2 VAL A 64 7.912 1.937 6.733 1.00 41.31 C ATOM 0 H VAL A 64 6.769 4.292 6.602 1.00 70.14 H new ATOM 0 HA VAL A 64 8.000 3.337 4.242 1.00 64.31 H new ATOM 0 HB VAL A 64 5.896 1.966 5.991 1.00 43.22 H new ATOM 0 HG11 VAL A 64 6.933 -0.168 5.246 1.00 55.42 H new ATOM 0 HG12 VAL A 64 6.246 0.754 3.888 1.00 55.42 H new ATOM 0 HG13 VAL A 64 8.005 0.745 4.157 1.00 55.42 H new ATOM 0 HG21 VAL A 64 7.794 1.001 7.278 1.00 41.31 H new ATOM 0 HG22 VAL A 64 8.926 2.002 6.339 1.00 41.31 H new ATOM 0 HG23 VAL A 64 7.730 2.774 7.407 1.00 41.31 H new ATOM 1062 N LEU A 65 4.679 3.653 4.136 1.00 23.52 N ATOM 1063 CA LEU A 65 3.473 3.761 3.272 1.00 74.40 C ATOM 1064 C LEU A 65 3.513 5.044 2.405 1.00 44.31 C ATOM 1065 O LEU A 65 2.957 5.088 1.301 1.00 31.24 O ATOM 1066 CB LEU A 65 2.178 3.717 4.142 1.00 12.44 C ATOM 1067 CG LEU A 65 1.795 2.335 4.776 1.00 22.33 C ATOM 1068 CD1 LEU A 65 1.530 1.281 3.682 1.00 13.33 C ATOM 1069 CD2 LEU A 65 2.853 1.843 5.783 1.00 72.21 C ATOM 0 H LEU A 65 4.480 3.797 5.126 1.00 23.52 H new ATOM 0 HA LEU A 65 3.465 2.908 2.594 1.00 74.40 H new ATOM 0 HB2 LEU A 65 2.287 4.442 4.949 1.00 12.44 H new ATOM 0 HB3 LEU A 65 1.343 4.050 3.525 1.00 12.44 H new ATOM 0 HG LEU A 65 0.872 2.483 5.336 1.00 22.33 H new ATOM 0 HD11 LEU A 65 1.266 0.331 4.148 1.00 13.33 H new ATOM 0 HD12 LEU A 65 0.709 1.614 3.047 1.00 13.33 H new ATOM 0 HD13 LEU A 65 2.427 1.151 3.077 1.00 13.33 H new ATOM 0 HD21 LEU A 65 2.544 0.883 6.195 1.00 72.21 H new ATOM 0 HD22 LEU A 65 3.812 1.729 5.277 1.00 72.21 H new ATOM 0 HD23 LEU A 65 2.953 2.569 6.590 1.00 72.21 H new ATOM 1081 N HIS A 66 4.201 6.071 2.930 1.00 63.11 N ATOM 1082 CA HIS A 66 4.391 7.375 2.262 1.00 13.22 C ATOM 1083 C HIS A 66 5.250 7.220 0.987 1.00 21.11 C ATOM 1084 O HIS A 66 5.090 7.995 0.041 1.00 20.12 O ATOM 1085 CB HIS A 66 5.031 8.375 3.260 1.00 71.53 C ATOM 1086 CG HIS A 66 5.038 9.815 2.827 1.00 64.53 C ATOM 1087 ND1 HIS A 66 6.171 10.475 2.412 1.00 54.53 N ATOM 1088 CD2 HIS A 66 4.039 10.729 2.780 1.00 34.35 C ATOM 1089 CE1 HIS A 66 5.875 11.722 2.129 1.00 64.23 C ATOM 1090 NE2 HIS A 66 4.589 11.907 2.340 1.00 73.00 N ATOM 0 H HIS A 66 4.649 6.021 3.845 1.00 63.11 H new ATOM 0 HA HIS A 66 3.422 7.765 1.950 1.00 13.22 H new ATOM 0 HB2 HIS A 66 4.500 8.303 4.209 1.00 71.53 H new ATOM 0 HB3 HIS A 66 6.060 8.066 3.446 1.00 71.53 H new ATOM 0 HD2 HIS A 66 3.004 10.562 3.040 1.00 34.35 H new ATOM 0 HE1 HIS A 66 6.571 12.471 1.781 1.00 64.23 H new ATOM 0 HE2 HIS A 66 4.084 12.782 2.200 1.00 73.00 H new ATOM 1099 N THR A 67 6.153 6.204 0.966 1.00 12.40 N ATOM 1100 CA THR A 67 7.044 5.970 -0.206 1.00 40.34 C ATOM 1101 C THR A 67 6.231 5.585 -1.458 1.00 34.32 C ATOM 1102 O THR A 67 6.438 6.163 -2.522 1.00 71.42 O ATOM 1103 CB THR A 67 8.144 4.874 0.026 1.00 12.15 C ATOM 1104 OG1 THR A 67 7.560 3.563 0.125 1.00 63.21 O ATOM 1105 CG2 THR A 67 8.969 5.156 1.287 1.00 11.41 C ATOM 0 H THR A 67 6.284 5.543 1.732 1.00 12.40 H new ATOM 0 HA THR A 67 7.555 6.922 -0.353 1.00 40.34 H new ATOM 0 HB THR A 67 8.806 4.908 -0.840 1.00 12.15 H new ATOM 0 HG1 THR A 67 7.156 3.451 1.011 1.00 63.21 H new ATOM 0 HG21 THR A 67 9.719 4.376 1.413 1.00 11.41 H new ATOM 0 HG22 THR A 67 9.463 6.122 1.190 1.00 11.41 H new ATOM 0 HG23 THR A 67 8.311 5.171 2.156 1.00 11.41 H new ATOM 1113 N ILE A 68 5.279 4.636 -1.292 1.00 54.24 N ATOM 1114 CA ILE A 68 4.429 4.132 -2.403 1.00 41.02 C ATOM 1115 C ILE A 68 3.525 5.265 -2.981 1.00 55.43 C ATOM 1116 O ILE A 68 3.258 5.297 -4.178 1.00 2.53 O ATOM 1117 CB ILE A 68 3.531 2.886 -1.987 1.00 64.34 C ATOM 1118 CG1 ILE A 68 4.375 1.705 -1.364 1.00 63.24 C ATOM 1119 CG2 ILE A 68 2.697 2.372 -3.191 1.00 50.54 C ATOM 1120 CD1 ILE A 68 4.639 1.816 0.127 1.00 4.14 C ATOM 0 H ILE A 68 5.078 4.200 -0.392 1.00 54.24 H new ATOM 0 HA ILE A 68 5.120 3.791 -3.174 1.00 41.02 H new ATOM 0 HB ILE A 68 2.853 3.243 -1.211 1.00 64.34 H new ATOM 0 HG12 ILE A 68 3.854 0.767 -1.556 1.00 63.24 H new ATOM 0 HG13 ILE A 68 5.332 1.650 -1.883 1.00 63.24 H new ATOM 0 HG21 ILE A 68 2.093 1.520 -2.878 1.00 50.54 H new ATOM 0 HG22 ILE A 68 2.044 3.169 -3.548 1.00 50.54 H new ATOM 0 HG23 ILE A 68 3.368 2.066 -3.994 1.00 50.54 H new ATOM 0 HD11 ILE A 68 5.225 0.958 0.458 1.00 4.14 H new ATOM 0 HD12 ILE A 68 5.191 2.733 0.331 1.00 4.14 H new ATOM 0 HD13 ILE A 68 3.691 1.836 0.664 1.00 4.14 H new ATOM 1132 N MET A 69 3.088 6.196 -2.112 1.00 14.42 N ATOM 1133 CA MET A 69 2.278 7.380 -2.521 1.00 44.30 C ATOM 1134 C MET A 69 3.034 8.249 -3.554 1.00 4.31 C ATOM 1135 O MET A 69 2.566 8.485 -4.669 1.00 63.11 O ATOM 1136 CB MET A 69 1.977 8.257 -1.285 1.00 14.05 C ATOM 1137 CG MET A 69 1.226 7.552 -0.166 1.00 3.22 C ATOM 1138 SD MET A 69 -0.524 7.298 -0.533 1.00 54.01 S ATOM 1139 CE MET A 69 -1.095 8.976 -0.826 1.00 2.04 C ATOM 0 H MET A 69 3.280 6.158 -1.111 1.00 14.42 H new ATOM 0 HA MET A 69 1.356 7.010 -2.969 1.00 44.30 H new ATOM 0 HB2 MET A 69 2.919 8.635 -0.888 1.00 14.05 H new ATOM 0 HB3 MET A 69 1.395 9.122 -1.604 1.00 14.05 H new ATOM 0 HG2 MET A 69 1.694 6.586 0.025 1.00 3.22 H new ATOM 0 HG3 MET A 69 1.317 8.137 0.749 1.00 3.22 H new ATOM 0 HE1 MET A 69 -2.181 8.979 -0.922 1.00 2.04 H new ATOM 0 HE2 MET A 69 -0.803 9.611 0.010 1.00 2.04 H new ATOM 0 HE3 MET A 69 -0.648 9.357 -1.744 1.00 2.04 H new ATOM 1149 N ASN A 70 4.239 8.654 -3.152 1.00 41.03 N ATOM 1150 CA ASN A 70 5.158 9.477 -3.961 1.00 23.24 C ATOM 1151 C ASN A 70 5.626 8.729 -5.228 1.00 63.32 C ATOM 1152 O ASN A 70 5.854 9.330 -6.283 1.00 63.43 O ATOM 1153 CB ASN A 70 6.362 9.845 -3.071 1.00 23.32 C ATOM 1154 CG ASN A 70 6.005 10.870 -1.989 1.00 12.24 C ATOM 1155 OD1 ASN A 70 5.579 10.523 -0.896 1.00 31.31 O ATOM 1156 ND2 ASN A 70 6.158 12.144 -2.289 1.00 50.43 N ATOM 0 H ASN A 70 4.618 8.417 -2.235 1.00 41.03 H new ATOM 0 HA ASN A 70 4.643 10.375 -4.302 1.00 23.24 H new ATOM 0 HB2 ASN A 70 6.748 8.942 -2.598 1.00 23.32 H new ATOM 0 HB3 ASN A 70 7.161 10.245 -3.695 1.00 23.32 H new ATOM 0 HD21 ASN A 70 5.920 12.861 -1.604 1.00 50.43 H new ATOM 0 HD22 ASN A 70 6.515 12.413 -3.206 1.00 50.43 H new ATOM 1163 N LEU A 71 5.733 7.406 -5.087 1.00 42.12 N ATOM 1164 CA LEU A 71 6.214 6.493 -6.134 1.00 1.43 C ATOM 1165 C LEU A 71 5.186 6.406 -7.300 1.00 53.04 C ATOM 1166 O LEU A 71 5.504 6.741 -8.445 1.00 42.53 O ATOM 1167 CB LEU A 71 6.475 5.108 -5.448 1.00 61.31 C ATOM 1168 CG LEU A 71 7.296 4.034 -6.226 1.00 52.34 C ATOM 1169 CD1 LEU A 71 7.847 2.946 -5.262 1.00 13.20 C ATOM 1170 CD2 LEU A 71 6.464 3.373 -7.350 1.00 0.52 C ATOM 0 H LEU A 71 5.483 6.926 -4.223 1.00 42.12 H new ATOM 0 HA LEU A 71 7.139 6.852 -6.586 1.00 1.43 H new ATOM 0 HB2 LEU A 71 6.987 5.297 -4.504 1.00 61.31 H new ATOM 0 HB3 LEU A 71 5.507 4.672 -5.203 1.00 61.31 H new ATOM 0 HG LEU A 71 8.135 4.553 -6.690 1.00 52.34 H new ATOM 0 HD11 LEU A 71 8.415 2.210 -5.831 1.00 13.20 H new ATOM 0 HD12 LEU A 71 8.496 3.412 -4.521 1.00 13.20 H new ATOM 0 HD13 LEU A 71 7.016 2.452 -4.758 1.00 13.20 H new ATOM 0 HD21 LEU A 71 7.074 2.632 -7.866 1.00 0.52 H new ATOM 0 HD22 LEU A 71 5.590 2.886 -6.917 1.00 0.52 H new ATOM 0 HD23 LEU A 71 6.141 4.135 -8.060 1.00 0.52 H new ATOM 1182 N VAL A 72 3.951 5.984 -6.970 1.00 71.43 N ATOM 1183 CA VAL A 72 2.857 5.761 -7.950 1.00 13.51 C ATOM 1184 C VAL A 72 2.421 7.084 -8.629 1.00 64.43 C ATOM 1185 O VAL A 72 2.202 7.124 -9.844 1.00 45.11 O ATOM 1186 CB VAL A 72 1.614 5.077 -7.259 1.00 43.44 C ATOM 1187 CG1 VAL A 72 0.431 4.894 -8.244 1.00 22.43 C ATOM 1188 CG2 VAL A 72 2.013 3.721 -6.626 1.00 75.41 C ATOM 0 H VAL A 72 3.676 5.785 -6.008 1.00 71.43 H new ATOM 0 HA VAL A 72 3.246 5.095 -8.720 1.00 13.51 H new ATOM 0 HB VAL A 72 1.277 5.745 -6.466 1.00 43.44 H new ATOM 0 HG11 VAL A 72 -0.403 4.420 -7.727 1.00 22.43 H new ATOM 0 HG12 VAL A 72 0.118 5.867 -8.621 1.00 22.43 H new ATOM 0 HG13 VAL A 72 0.745 4.266 -9.078 1.00 22.43 H new ATOM 0 HG21 VAL A 72 1.140 3.268 -6.156 1.00 75.41 H new ATOM 0 HG22 VAL A 72 2.394 3.056 -7.401 1.00 75.41 H new ATOM 0 HG23 VAL A 72 2.786 3.883 -5.875 1.00 75.41 H new ATOM 1198 N ASP A 73 2.329 8.159 -7.819 1.00 34.00 N ATOM 1199 CA ASP A 73 1.914 9.501 -8.285 1.00 64.51 C ATOM 1200 C ASP A 73 2.877 10.070 -9.365 1.00 3.32 C ATOM 1201 O ASP A 73 2.441 10.748 -10.304 1.00 64.13 O ATOM 1202 CB ASP A 73 1.818 10.466 -7.075 1.00 22.23 C ATOM 1203 CG ASP A 73 1.280 11.856 -7.451 1.00 2.24 C ATOM 1204 OD1 ASP A 73 0.069 11.970 -7.725 1.00 61.11 O ATOM 1205 OD2 ASP A 73 2.062 12.836 -7.489 1.00 25.01 O ATOM 0 H ASP A 73 2.540 8.122 -6.822 1.00 34.00 H new ATOM 0 HA ASP A 73 0.934 9.406 -8.753 1.00 64.51 H new ATOM 0 HB2 ASP A 73 1.170 10.025 -6.317 1.00 22.23 H new ATOM 0 HB3 ASP A 73 2.805 10.575 -6.626 1.00 22.23 H new ATOM 1210 N LYS A 74 4.188 9.800 -9.211 1.00 74.41 N ATOM 1211 CA LYS A 74 5.210 10.231 -10.190 1.00 50.42 C ATOM 1212 C LYS A 74 5.239 9.336 -11.447 1.00 52.32 C ATOM 1213 O LYS A 74 5.345 9.846 -12.556 1.00 4.13 O ATOM 1214 CB LYS A 74 6.603 10.340 -9.528 1.00 24.23 C ATOM 1215 CG LYS A 74 6.745 11.608 -8.657 1.00 23.32 C ATOM 1216 CD LYS A 74 8.143 11.773 -8.041 1.00 4.20 C ATOM 1217 CE LYS A 74 8.249 13.033 -7.161 1.00 1.21 C ATOM 1218 NZ LYS A 74 9.614 13.221 -6.611 1.00 24.25 N ATOM 0 H LYS A 74 4.567 9.284 -8.417 1.00 74.41 H new ATOM 0 HA LYS A 74 4.926 11.226 -10.532 1.00 50.42 H new ATOM 0 HB2 LYS A 74 6.779 9.458 -8.912 1.00 24.23 H new ATOM 0 HB3 LYS A 74 7.370 10.347 -10.302 1.00 24.23 H new ATOM 0 HG2 LYS A 74 6.518 12.484 -9.265 1.00 23.32 H new ATOM 0 HG3 LYS A 74 6.005 11.575 -7.857 1.00 23.32 H new ATOM 0 HD2 LYS A 74 8.380 10.893 -7.442 1.00 4.20 H new ATOM 0 HD3 LYS A 74 8.885 11.826 -8.838 1.00 4.20 H new ATOM 0 HE2 LYS A 74 7.972 13.908 -7.749 1.00 1.21 H new ATOM 0 HE3 LYS A 74 7.535 12.962 -6.340 1.00 1.21 H new ATOM 0 HZ1 LYS A 74 9.637 14.081 -6.026 1.00 24.25 H new ATOM 0 HZ2 LYS A 74 9.870 12.398 -6.028 1.00 24.25 H new ATOM 0 HZ3 LYS A 74 10.293 13.316 -7.393 1.00 24.25 H new ATOM 1232 N MET A 75 5.136 8.005 -11.278 1.00 23.25 N ATOM 1233 CA MET A 75 5.072 7.075 -12.440 1.00 32.12 C ATOM 1234 C MET A 75 3.829 7.366 -13.322 1.00 12.44 C ATOM 1235 O MET A 75 3.872 7.172 -14.541 1.00 11.00 O ATOM 1236 CB MET A 75 5.073 5.593 -11.994 1.00 43.04 C ATOM 1237 CG MET A 75 6.306 5.160 -11.188 1.00 51.22 C ATOM 1238 SD MET A 75 6.493 3.360 -11.092 1.00 55.12 S ATOM 1239 CE MET A 75 4.869 2.826 -10.552 1.00 42.34 C ATOM 0 H MET A 75 5.095 7.547 -10.368 1.00 23.25 H new ATOM 0 HA MET A 75 5.970 7.248 -13.033 1.00 32.12 H new ATOM 0 HB2 MET A 75 4.182 5.409 -11.394 1.00 43.04 H new ATOM 0 HB3 MET A 75 4.996 4.962 -12.880 1.00 43.04 H new ATOM 0 HG2 MET A 75 7.199 5.589 -11.642 1.00 51.22 H new ATOM 0 HG3 MET A 75 6.235 5.567 -10.179 1.00 51.22 H new ATOM 0 HE1 MET A 75 4.961 1.903 -9.979 1.00 42.34 H new ATOM 0 HE2 MET A 75 4.421 3.598 -9.926 1.00 42.34 H new ATOM 0 HE3 MET A 75 4.236 2.651 -11.422 1.00 42.34 H new ATOM 1249 N LEU A 76 2.737 7.831 -12.658 1.00 24.04 N ATOM 1250 CA LEU A 76 1.436 8.191 -13.290 1.00 35.13 C ATOM 1251 C LEU A 76 1.648 9.145 -14.509 1.00 33.40 C ATOM 1252 O LEU A 76 1.015 8.979 -15.558 1.00 54.03 O ATOM 1253 CB LEU A 76 0.499 8.846 -12.200 1.00 20.22 C ATOM 1254 CG LEU A 76 -1.030 8.484 -12.222 1.00 11.53 C ATOM 1255 CD1 LEU A 76 -1.702 8.835 -13.561 1.00 61.41 C ATOM 1256 CD2 LEU A 76 -1.261 7.004 -11.836 1.00 41.33 C ATOM 0 H LEU A 76 2.735 7.969 -11.647 1.00 24.04 H new ATOM 0 HA LEU A 76 0.958 7.290 -13.674 1.00 35.13 H new ATOM 0 HB2 LEU A 76 0.891 8.577 -11.219 1.00 20.22 H new ATOM 0 HB3 LEU A 76 0.586 9.929 -12.293 1.00 20.22 H new ATOM 0 HG LEU A 76 -1.512 9.105 -11.466 1.00 11.53 H new ATOM 0 HD11 LEU A 76 -2.757 8.564 -13.521 1.00 61.41 H new ATOM 0 HD12 LEU A 76 -1.609 9.905 -13.745 1.00 61.41 H new ATOM 0 HD13 LEU A 76 -1.217 8.285 -14.367 1.00 61.41 H new ATOM 0 HD21 LEU A 76 -2.328 6.784 -11.860 1.00 41.33 H new ATOM 0 HD22 LEU A 76 -0.741 6.358 -12.544 1.00 41.33 H new ATOM 0 HD23 LEU A 76 -0.877 6.826 -10.832 1.00 41.33 H new ATOM 1268 N ASN A 77 2.556 10.134 -14.351 1.00 53.13 N ATOM 1269 CA ASN A 77 2.999 11.008 -15.467 1.00 40.43 C ATOM 1270 C ASN A 77 4.148 10.349 -16.265 1.00 21.24 C ATOM 1271 O ASN A 77 5.082 9.769 -15.698 1.00 62.12 O ATOM 1272 CB ASN A 77 3.411 12.433 -14.977 1.00 32.32 C ATOM 1273 CG ASN A 77 4.185 12.433 -13.673 1.00 45.54 C ATOM 1274 OD1 ASN A 77 5.399 12.442 -13.661 1.00 52.40 O ATOM 1275 ND2 ASN A 77 3.488 12.370 -12.559 1.00 23.11 N ATOM 0 H ASN A 77 3.000 10.350 -13.458 1.00 53.13 H new ATOM 0 HA ASN A 77 2.143 11.132 -16.130 1.00 40.43 H new ATOM 0 HB2 ASN A 77 4.016 12.911 -15.748 1.00 32.32 H new ATOM 0 HB3 ASN A 77 2.513 13.039 -14.855 1.00 32.32 H new ATOM 0 HD21 ASN A 77 3.967 12.327 -11.659 1.00 23.11 H new ATOM 0 HD22 ASN A 77 2.469 12.364 -12.595 1.00 23.11 H new ATOM 1282 N SER A 78 4.070 10.500 -17.595 1.00 51.40 N ATOM 1283 CA SER A 78 5.011 9.899 -18.570 1.00 13.23 C ATOM 1284 C SER A 78 6.410 10.564 -18.571 1.00 32.42 C ATOM 1285 O SER A 78 7.299 10.111 -19.301 1.00 74.40 O ATOM 1286 CB SER A 78 4.382 9.986 -19.984 1.00 24.31 C ATOM 1287 OG SER A 78 3.201 9.199 -20.075 1.00 5.30 O ATOM 0 H SER A 78 3.338 11.054 -18.039 1.00 51.40 H new ATOM 0 HA SER A 78 5.171 8.862 -18.273 1.00 13.23 H new ATOM 0 HB2 SER A 78 4.148 11.025 -20.217 1.00 24.31 H new ATOM 0 HB3 SER A 78 5.105 9.648 -20.727 1.00 24.31 H new ATOM 0 HG SER A 78 2.826 9.275 -20.977 1.00 5.30 H new ATOM 1293 N GLU A 79 6.609 11.631 -17.757 1.00 74.31 N ATOM 1294 CA GLU A 79 7.923 12.312 -17.649 1.00 20.13 C ATOM 1295 C GLU A 79 8.881 11.477 -16.768 1.00 24.35 C ATOM 1296 O GLU A 79 10.103 11.473 -16.968 1.00 23.21 O ATOM 1297 CB GLU A 79 7.756 13.756 -17.076 1.00 25.13 C ATOM 1298 CG GLU A 79 7.525 13.864 -15.557 1.00 5.30 C ATOM 1299 CD GLU A 79 7.486 15.309 -15.034 1.00 12.24 C ATOM 1300 OE1 GLU A 79 8.561 15.937 -14.934 1.00 41.43 O ATOM 1301 OE2 GLU A 79 6.392 15.818 -14.711 1.00 25.34 O ATOM 0 H GLU A 79 5.881 12.036 -17.169 1.00 74.31 H new ATOM 0 HA GLU A 79 8.354 12.398 -18.647 1.00 20.13 H new ATOM 0 HB2 GLU A 79 8.648 14.330 -17.328 1.00 25.13 H new ATOM 0 HB3 GLU A 79 6.917 14.231 -17.584 1.00 25.13 H new ATOM 0 HG2 GLU A 79 6.585 13.372 -15.306 1.00 5.30 H new ATOM 0 HG3 GLU A 79 8.317 13.322 -15.040 1.00 5.30 H new ATOM 1308 N ILE A 80 8.285 10.777 -15.788 1.00 12.43 N ATOM 1309 CA ILE A 80 8.985 9.853 -14.887 1.00 73.14 C ATOM 1310 C ILE A 80 8.863 8.416 -15.439 1.00 51.30 C ATOM 1311 O ILE A 80 9.879 7.752 -15.699 1.00 73.00 O ATOM 1312 CB ILE A 80 8.361 9.928 -13.444 1.00 70.24 C ATOM 1313 CG1 ILE A 80 8.340 11.406 -12.921 1.00 41.23 C ATOM 1314 CG2 ILE A 80 9.078 8.981 -12.445 1.00 43.43 C ATOM 1315 CD1 ILE A 80 9.678 11.959 -12.456 1.00 2.10 C ATOM 0 H ILE A 80 7.285 10.840 -15.598 1.00 12.43 H new ATOM 0 HA ILE A 80 10.037 10.133 -14.827 1.00 73.14 H new ATOM 0 HB ILE A 80 7.330 9.581 -13.518 1.00 70.24 H new ATOM 0 HG12 ILE A 80 7.958 12.048 -13.715 1.00 41.23 H new ATOM 0 HG13 ILE A 80 7.634 11.469 -12.093 1.00 41.23 H new ATOM 0 HG21 ILE A 80 8.612 9.068 -11.463 1.00 43.43 H new ATOM 0 HG22 ILE A 80 8.996 7.952 -12.796 1.00 43.43 H new ATOM 0 HG23 ILE A 80 10.130 9.257 -12.373 1.00 43.43 H new ATOM 0 HD11 ILE A 80 9.549 12.986 -12.115 1.00 2.10 H new ATOM 0 HD12 ILE A 80 10.058 11.350 -11.636 1.00 2.10 H new ATOM 0 HD13 ILE A 80 10.388 11.938 -13.283 1.00 2.10 H new ATOM 1327 N LYS A 81 7.590 7.961 -15.605 1.00 3.01 N ATOM 1328 CA LYS A 81 7.241 6.609 -16.111 1.00 53.54 C ATOM 1329 C LYS A 81 7.675 5.504 -15.102 1.00 5.20 C ATOM 1330 O LYS A 81 8.292 5.783 -14.064 1.00 64.40 O ATOM 1331 CB LYS A 81 7.828 6.404 -17.555 1.00 74.44 C ATOM 1332 CG LYS A 81 7.269 5.209 -18.365 1.00 44.04 C ATOM 1333 CD LYS A 81 7.953 5.039 -19.742 1.00 23.35 C ATOM 1334 CE LYS A 81 7.416 3.825 -20.519 1.00 34.23 C ATOM 1335 NZ LYS A 81 8.041 3.682 -21.857 1.00 43.35 N ATOM 0 H LYS A 81 6.772 8.530 -15.388 1.00 3.01 H new ATOM 0 HA LYS A 81 6.158 6.523 -16.196 1.00 53.54 H new ATOM 0 HB2 LYS A 81 7.653 7.315 -18.127 1.00 74.44 H new ATOM 0 HB3 LYS A 81 8.908 6.283 -17.470 1.00 74.44 H new ATOM 0 HG2 LYS A 81 7.397 4.294 -17.787 1.00 44.04 H new ATOM 0 HG3 LYS A 81 6.198 5.346 -18.512 1.00 44.04 H new ATOM 0 HD2 LYS A 81 7.801 5.942 -20.334 1.00 23.35 H new ATOM 0 HD3 LYS A 81 9.028 4.929 -19.599 1.00 23.35 H new ATOM 0 HE2 LYS A 81 7.595 2.919 -19.940 1.00 34.23 H new ATOM 0 HE3 LYS A 81 6.336 3.921 -20.635 1.00 34.23 H new ATOM 0 HZ1 LYS A 81 7.644 2.850 -22.338 1.00 43.35 H new ATOM 0 HZ2 LYS A 81 7.849 4.533 -22.423 1.00 43.35 H new ATOM 0 HZ3 LYS A 81 9.068 3.563 -21.749 1.00 43.35 H new ATOM 1349 N ILE A 82 7.316 4.256 -15.404 1.00 74.45 N ATOM 1350 CA ILE A 82 7.546 3.101 -14.540 1.00 55.14 C ATOM 1351 C ILE A 82 8.971 2.590 -14.759 1.00 54.35 C ATOM 1352 O ILE A 82 9.385 2.375 -15.905 1.00 45.23 O ATOM 1353 CB ILE A 82 6.518 1.942 -14.836 1.00 13.12 C ATOM 1354 CG1 ILE A 82 5.039 2.452 -14.862 1.00 41.50 C ATOM 1355 CG2 ILE A 82 6.684 0.772 -13.835 1.00 41.11 C ATOM 1356 CD1 ILE A 82 4.607 3.056 -16.194 1.00 33.32 C ATOM 0 H ILE A 82 6.846 4.016 -16.277 1.00 74.45 H new ATOM 0 HA ILE A 82 7.409 3.413 -13.505 1.00 55.14 H new ATOM 0 HB ILE A 82 6.746 1.569 -15.835 1.00 13.12 H new ATOM 0 HG12 ILE A 82 4.376 1.621 -14.621 1.00 41.50 H new ATOM 0 HG13 ILE A 82 4.911 3.199 -14.079 1.00 41.50 H new ATOM 0 HG21 ILE A 82 5.961 -0.010 -14.066 1.00 41.11 H new ATOM 0 HG22 ILE A 82 7.693 0.368 -13.912 1.00 41.11 H new ATOM 0 HG23 ILE A 82 6.515 1.134 -12.821 1.00 41.11 H new ATOM 0 HD11 ILE A 82 3.570 3.384 -16.125 1.00 33.32 H new ATOM 0 HD12 ILE A 82 5.243 3.910 -16.430 1.00 33.32 H new ATOM 0 HD13 ILE A 82 4.700 2.307 -16.980 1.00 33.32 H new ATOM 1368 N THR A 83 9.709 2.370 -13.668 1.00 34.30 N ATOM 1369 CA THR A 83 11.111 1.910 -13.738 1.00 24.34 C ATOM 1370 C THR A 83 11.195 0.344 -13.762 1.00 54.44 C ATOM 1371 O THR A 83 12.212 -0.244 -13.392 1.00 45.44 O ATOM 1372 CB THR A 83 11.936 2.550 -12.555 1.00 53.22 C ATOM 1373 OG1 THR A 83 11.605 3.949 -12.449 1.00 1.14 O ATOM 1374 CG2 THR A 83 13.469 2.425 -12.725 1.00 24.14 C ATOM 0 H THR A 83 9.363 2.502 -12.718 1.00 34.30 H new ATOM 0 HA THR A 83 11.557 2.247 -14.674 1.00 24.34 H new ATOM 0 HB THR A 83 11.664 1.997 -11.656 1.00 53.22 H new ATOM 0 HG1 THR A 83 12.114 4.351 -11.714 1.00 1.14 H new ATOM 0 HG21 THR A 83 13.968 2.887 -11.874 1.00 24.14 H new ATOM 0 HG22 THR A 83 13.744 1.372 -12.779 1.00 24.14 H new ATOM 0 HG23 THR A 83 13.776 2.928 -13.642 1.00 24.14 H new ATOM 1382 N SER A 84 10.101 -0.296 -14.252 1.00 51.12 N ATOM 1383 CA SER A 84 9.954 -1.773 -14.433 1.00 62.43 C ATOM 1384 C SER A 84 10.192 -2.578 -13.126 1.00 63.14 C ATOM 1385 O SER A 84 9.243 -3.031 -12.486 1.00 60.22 O ATOM 1386 CB SER A 84 10.854 -2.299 -15.583 1.00 31.32 C ATOM 1387 OG SER A 84 10.476 -1.746 -16.838 1.00 74.13 O ATOM 0 H SER A 84 9.267 0.215 -14.543 1.00 51.12 H new ATOM 0 HA SER A 84 8.913 -1.937 -14.710 1.00 62.43 H new ATOM 0 HB2 SER A 84 11.895 -2.051 -15.374 1.00 31.32 H new ATOM 0 HB3 SER A 84 10.788 -3.386 -15.629 1.00 31.32 H new ATOM 0 HG SER A 84 11.063 -2.096 -17.540 1.00 74.13 H new ATOM 1393 N ASP A 85 11.470 -2.712 -12.725 1.00 23.51 N ATOM 1394 CA ASP A 85 11.891 -3.373 -11.463 1.00 12.52 C ATOM 1395 C ASP A 85 11.311 -2.669 -10.215 1.00 33.34 C ATOM 1396 O ASP A 85 11.234 -3.260 -9.143 1.00 20.12 O ATOM 1397 CB ASP A 85 13.433 -3.363 -11.360 1.00 51.53 C ATOM 1398 CG ASP A 85 14.130 -4.036 -12.558 1.00 14.23 C ATOM 1399 OD1 ASP A 85 14.140 -3.440 -13.662 1.00 10.41 O ATOM 1400 OD2 ASP A 85 14.660 -5.154 -12.403 1.00 22.22 O ATOM 0 H ASP A 85 12.255 -2.361 -13.273 1.00 23.51 H new ATOM 0 HA ASP A 85 11.509 -4.394 -11.491 1.00 12.52 H new ATOM 0 HB2 ASP A 85 13.778 -2.332 -11.281 1.00 51.53 H new ATOM 0 HB3 ASP A 85 13.732 -3.871 -10.443 1.00 51.53 H new ATOM 1405 N LEU A 86 10.945 -1.390 -10.373 1.00 62.20 N ATOM 1406 CA LEU A 86 10.356 -0.569 -9.296 1.00 42.12 C ATOM 1407 C LEU A 86 8.984 -1.106 -8.812 1.00 22.42 C ATOM 1408 O LEU A 86 8.610 -0.910 -7.650 1.00 75.53 O ATOM 1409 CB LEU A 86 10.218 0.885 -9.773 1.00 5.32 C ATOM 1410 CG LEU A 86 9.903 1.933 -8.670 1.00 73.30 C ATOM 1411 CD1 LEU A 86 11.082 2.105 -7.679 1.00 40.14 C ATOM 1412 CD2 LEU A 86 9.478 3.272 -9.304 1.00 71.44 C ATOM 0 H LEU A 86 11.048 -0.889 -11.255 1.00 62.20 H new ATOM 0 HA LEU A 86 11.032 -0.621 -8.442 1.00 42.12 H new ATOM 0 HB2 LEU A 86 11.145 1.174 -10.268 1.00 5.32 H new ATOM 0 HB3 LEU A 86 9.429 0.928 -10.524 1.00 5.32 H new ATOM 0 HG LEU A 86 9.064 1.561 -8.082 1.00 73.30 H new ATOM 0 HD11 LEU A 86 10.818 2.847 -6.925 1.00 40.14 H new ATOM 0 HD12 LEU A 86 11.291 1.152 -7.193 1.00 40.14 H new ATOM 0 HD13 LEU A 86 11.967 2.437 -8.221 1.00 40.14 H new ATOM 0 HD21 LEU A 86 9.261 3.994 -8.517 1.00 71.44 H new ATOM 0 HD22 LEU A 86 10.285 3.650 -9.931 1.00 71.44 H new ATOM 0 HD23 LEU A 86 8.587 3.120 -9.913 1.00 71.44 H new ATOM 1424 N ILE A 87 8.221 -1.734 -9.730 1.00 41.32 N ATOM 1425 CA ILE A 87 6.971 -2.466 -9.382 1.00 20.43 C ATOM 1426 C ILE A 87 7.229 -3.511 -8.247 1.00 30.32 C ATOM 1427 O ILE A 87 6.362 -3.751 -7.399 1.00 70.03 O ATOM 1428 CB ILE A 87 6.375 -3.217 -10.641 1.00 11.31 C ATOM 1429 CG1 ILE A 87 6.139 -2.236 -11.832 1.00 4.43 C ATOM 1430 CG2 ILE A 87 5.069 -3.983 -10.304 1.00 45.05 C ATOM 1431 CD1 ILE A 87 5.704 -2.905 -13.133 1.00 2.32 C ATOM 0 H ILE A 87 8.445 -1.752 -10.725 1.00 41.32 H new ATOM 0 HA ILE A 87 6.254 -1.722 -9.035 1.00 20.43 H new ATOM 0 HB ILE A 87 7.120 -3.953 -10.943 1.00 11.31 H new ATOM 0 HG12 ILE A 87 5.380 -1.510 -11.542 1.00 4.43 H new ATOM 0 HG13 ILE A 87 7.059 -1.680 -12.015 1.00 4.43 H new ATOM 0 HG21 ILE A 87 4.698 -4.482 -11.199 1.00 45.05 H new ATOM 0 HG22 ILE A 87 5.272 -4.726 -9.532 1.00 45.05 H new ATOM 0 HG23 ILE A 87 4.318 -3.280 -9.943 1.00 45.05 H new ATOM 0 HD11 ILE A 87 5.564 -2.146 -13.903 1.00 2.32 H new ATOM 0 HD12 ILE A 87 6.471 -3.610 -13.454 1.00 2.32 H new ATOM 0 HD13 ILE A 87 4.766 -3.437 -12.973 1.00 2.32 H new ATOM 1443 N ASP A 88 8.450 -4.102 -8.243 1.00 74.42 N ATOM 1444 CA ASP A 88 8.879 -5.074 -7.212 1.00 63.22 C ATOM 1445 C ASP A 88 9.068 -4.395 -5.834 1.00 44.21 C ATOM 1446 O ASP A 88 8.914 -5.042 -4.796 1.00 40.04 O ATOM 1447 CB ASP A 88 10.192 -5.777 -7.645 1.00 35.30 C ATOM 1448 CG ASP A 88 10.646 -6.878 -6.662 1.00 35.33 C ATOM 1449 OD1 ASP A 88 9.871 -7.830 -6.433 1.00 34.22 O ATOM 1450 OD2 ASP A 88 11.753 -6.776 -6.082 1.00 15.40 O ATOM 0 H ASP A 88 9.160 -3.918 -8.952 1.00 74.42 H new ATOM 0 HA ASP A 88 8.090 -5.820 -7.113 1.00 63.22 H new ATOM 0 HB2 ASP A 88 10.053 -6.216 -8.633 1.00 35.30 H new ATOM 0 HB3 ASP A 88 10.982 -5.032 -7.736 1.00 35.30 H new ATOM 1455 N LYS A 89 9.442 -3.100 -5.837 1.00 34.42 N ATOM 1456 CA LYS A 89 9.552 -2.293 -4.597 1.00 13.41 C ATOM 1457 C LYS A 89 8.160 -1.998 -4.008 1.00 45.01 C ATOM 1458 O LYS A 89 7.971 -2.048 -2.791 1.00 54.21 O ATOM 1459 CB LYS A 89 10.333 -0.977 -4.857 1.00 23.52 C ATOM 1460 CG LYS A 89 10.593 -0.117 -3.588 1.00 13.42 C ATOM 1461 CD LYS A 89 11.807 0.833 -3.741 1.00 64.05 C ATOM 1462 CE LYS A 89 13.134 0.060 -3.889 1.00 2.14 C ATOM 1463 NZ LYS A 89 14.298 0.965 -4.026 1.00 41.20 N ATOM 0 H LYS A 89 9.675 -2.585 -6.686 1.00 34.42 H new ATOM 0 HA LYS A 89 10.111 -2.877 -3.866 1.00 13.41 H new ATOM 0 HB2 LYS A 89 11.291 -1.223 -5.316 1.00 23.52 H new ATOM 0 HB3 LYS A 89 9.778 -0.377 -5.579 1.00 23.52 H new ATOM 0 HG2 LYS A 89 9.703 0.472 -3.366 1.00 13.42 H new ATOM 0 HG3 LYS A 89 10.759 -0.777 -2.736 1.00 13.42 H new ATOM 0 HD2 LYS A 89 11.660 1.471 -4.613 1.00 64.05 H new ATOM 0 HD3 LYS A 89 11.865 1.489 -2.872 1.00 64.05 H new ATOM 0 HE2 LYS A 89 13.276 -0.583 -3.020 1.00 2.14 H new ATOM 0 HE3 LYS A 89 13.078 -0.591 -4.762 1.00 2.14 H new ATOM 0 HZ1 LYS A 89 15.167 0.401 -4.123 1.00 41.20 H new ATOM 0 HZ2 LYS A 89 14.177 1.561 -4.869 1.00 41.20 H new ATOM 0 HZ3 LYS A 89 14.369 1.569 -3.182 1.00 41.20 H new ATOM 1477 N VAL A 90 7.190 -1.706 -4.895 1.00 25.25 N ATOM 1478 CA VAL A 90 5.767 -1.529 -4.507 1.00 21.21 C ATOM 1479 C VAL A 90 5.215 -2.842 -3.900 1.00 62.32 C ATOM 1480 O VAL A 90 4.529 -2.820 -2.878 1.00 71.12 O ATOM 1481 CB VAL A 90 4.866 -1.114 -5.731 1.00 52.45 C ATOM 1482 CG1 VAL A 90 3.431 -0.734 -5.275 1.00 4.40 C ATOM 1483 CG2 VAL A 90 5.520 0.030 -6.538 1.00 12.44 C ATOM 0 H VAL A 90 7.362 -1.586 -5.893 1.00 25.25 H new ATOM 0 HA VAL A 90 5.733 -0.726 -3.770 1.00 21.21 H new ATOM 0 HB VAL A 90 4.781 -1.979 -6.388 1.00 52.45 H new ATOM 0 HG11 VAL A 90 2.836 -0.453 -6.144 1.00 4.40 H new ATOM 0 HG12 VAL A 90 2.969 -1.588 -4.779 1.00 4.40 H new ATOM 0 HG13 VAL A 90 3.480 0.106 -4.582 1.00 4.40 H new ATOM 0 HG21 VAL A 90 4.877 0.297 -7.377 1.00 12.44 H new ATOM 0 HG22 VAL A 90 5.655 0.899 -5.894 1.00 12.44 H new ATOM 0 HG23 VAL A 90 6.489 -0.298 -6.913 1.00 12.44 H new ATOM 1493 N LYS A 91 5.555 -3.976 -4.555 1.00 33.21 N ATOM 1494 CA LYS A 91 5.258 -5.332 -4.047 1.00 21.41 C ATOM 1495 C LYS A 91 5.877 -5.554 -2.660 1.00 51.44 C ATOM 1496 O LYS A 91 5.174 -5.892 -1.735 1.00 4.14 O ATOM 1497 CB LYS A 91 5.774 -6.442 -5.032 1.00 72.22 C ATOM 1498 CG LYS A 91 4.910 -6.660 -6.301 1.00 61.22 C ATOM 1499 CD LYS A 91 3.846 -7.809 -6.187 1.00 4.24 C ATOM 1500 CE LYS A 91 2.860 -7.687 -4.997 1.00 13.52 C ATOM 1501 NZ LYS A 91 3.395 -8.297 -3.739 1.00 12.01 N ATOM 0 H LYS A 91 6.043 -3.975 -5.451 1.00 33.21 H new ATOM 0 HA LYS A 91 4.174 -5.409 -3.969 1.00 21.41 H new ATOM 0 HB2 LYS A 91 6.787 -6.186 -5.343 1.00 72.22 H new ATOM 0 HB3 LYS A 91 5.836 -7.385 -4.489 1.00 72.22 H new ATOM 0 HG2 LYS A 91 4.394 -5.729 -6.536 1.00 61.22 H new ATOM 0 HG3 LYS A 91 5.571 -6.879 -7.140 1.00 61.22 H new ATOM 0 HD2 LYS A 91 3.270 -7.841 -7.112 1.00 4.24 H new ATOM 0 HD3 LYS A 91 4.371 -8.761 -6.105 1.00 4.24 H new ATOM 0 HE2 LYS A 91 2.639 -6.634 -4.820 1.00 13.52 H new ATOM 0 HE3 LYS A 91 1.919 -8.171 -5.259 1.00 13.52 H new ATOM 0 HZ1 LYS A 91 2.618 -8.435 -3.062 1.00 12.01 H new ATOM 0 HZ2 LYS A 91 3.831 -9.216 -3.957 1.00 12.01 H new ATOM 0 HZ3 LYS A 91 4.109 -7.665 -3.323 1.00 12.01 H new ATOM 1515 N LYS A 92 7.183 -5.275 -2.538 1.00 11.12 N ATOM 1516 CA LYS A 92 7.997 -5.641 -1.361 1.00 11.42 C ATOM 1517 C LYS A 92 7.577 -4.875 -0.092 1.00 11.44 C ATOM 1518 O LYS A 92 7.436 -5.463 0.978 1.00 24.30 O ATOM 1519 CB LYS A 92 9.484 -5.361 -1.651 1.00 44.23 C ATOM 1520 CG LYS A 92 10.468 -6.001 -0.644 1.00 52.22 C ATOM 1521 CD LYS A 92 10.754 -7.510 -0.923 1.00 21.33 C ATOM 1522 CE LYS A 92 11.556 -7.778 -2.229 1.00 30.42 C ATOM 1523 NZ LYS A 92 10.764 -7.571 -3.474 1.00 12.22 N ATOM 0 H LYS A 92 7.713 -4.784 -3.259 1.00 11.12 H new ATOM 0 HA LYS A 92 7.835 -6.703 -1.176 1.00 11.42 H new ATOM 0 HB2 LYS A 92 9.720 -5.725 -2.651 1.00 44.23 H new ATOM 0 HB3 LYS A 92 9.642 -4.283 -1.658 1.00 44.23 H new ATOM 0 HG2 LYS A 92 11.409 -5.451 -0.668 1.00 52.22 H new ATOM 0 HG3 LYS A 92 10.064 -5.897 0.363 1.00 52.22 H new ATOM 0 HD2 LYS A 92 11.306 -7.925 -0.080 1.00 21.33 H new ATOM 0 HD3 LYS A 92 9.805 -8.044 -0.977 1.00 21.33 H new ATOM 0 HE2 LYS A 92 12.427 -7.123 -2.250 1.00 30.42 H new ATOM 0 HE3 LYS A 92 11.928 -8.802 -2.212 1.00 30.42 H new ATOM 0 HZ1 LYS A 92 10.935 -8.360 -4.129 1.00 12.22 H new ATOM 0 HZ2 LYS A 92 9.752 -7.530 -3.239 1.00 12.22 H new ATOM 0 HZ3 LYS A 92 11.052 -6.679 -3.924 1.00 12.22 H new ATOM 1537 N LYS A 93 7.419 -3.551 -0.244 1.00 31.30 N ATOM 1538 CA LYS A 93 6.918 -2.655 0.823 1.00 50.21 C ATOM 1539 C LYS A 93 5.524 -3.094 1.318 1.00 2.34 C ATOM 1540 O LYS A 93 5.311 -3.261 2.516 1.00 44.24 O ATOM 1541 CB LYS A 93 6.859 -1.188 0.311 1.00 14.14 C ATOM 1542 CG LYS A 93 8.234 -0.540 0.047 1.00 21.42 C ATOM 1543 CD LYS A 93 9.144 -0.527 1.298 1.00 42.22 C ATOM 1544 CE LYS A 93 10.504 0.134 1.035 1.00 45.44 C ATOM 1545 NZ LYS A 93 11.398 0.012 2.207 1.00 40.11 N ATOM 0 H LYS A 93 7.635 -3.064 -1.114 1.00 31.30 H new ATOM 0 HA LYS A 93 7.612 -2.717 1.662 1.00 50.21 H new ATOM 0 HB2 LYS A 93 6.278 -1.163 -0.611 1.00 14.14 H new ATOM 0 HB3 LYS A 93 6.323 -0.584 1.043 1.00 14.14 H new ATOM 0 HG2 LYS A 93 8.736 -1.080 -0.756 1.00 21.42 H new ATOM 0 HG3 LYS A 93 8.087 0.483 -0.300 1.00 21.42 H new ATOM 0 HD2 LYS A 93 8.637 0.002 2.105 1.00 42.22 H new ATOM 0 HD3 LYS A 93 9.302 -1.551 1.638 1.00 42.22 H new ATOM 0 HE2 LYS A 93 10.974 -0.329 0.167 1.00 45.44 H new ATOM 0 HE3 LYS A 93 10.358 1.187 0.795 1.00 45.44 H new ATOM 0 HZ1 LYS A 93 12.309 0.468 1.998 1.00 40.11 H new ATOM 0 HZ2 LYS A 93 10.959 0.475 3.028 1.00 40.11 H new ATOM 0 HZ3 LYS A 93 11.556 -0.994 2.420 1.00 40.11 H new ATOM 1559 N LEU A 94 4.613 -3.303 0.357 1.00 51.35 N ATOM 1560 CA LEU A 94 3.214 -3.710 0.606 1.00 52.04 C ATOM 1561 C LEU A 94 3.140 -5.131 1.245 1.00 75.25 C ATOM 1562 O LEU A 94 2.274 -5.411 2.084 1.00 63.03 O ATOM 1563 CB LEU A 94 2.457 -3.601 -0.753 1.00 23.14 C ATOM 1564 CG LEU A 94 0.908 -3.794 -0.784 1.00 44.35 C ATOM 1565 CD1 LEU A 94 0.497 -5.268 -0.917 1.00 11.34 C ATOM 1566 CD2 LEU A 94 0.238 -3.119 0.426 1.00 33.43 C ATOM 0 H LEU A 94 4.827 -3.193 -0.634 1.00 51.35 H new ATOM 0 HA LEU A 94 2.736 -3.056 1.335 1.00 52.04 H new ATOM 0 HB2 LEU A 94 2.673 -2.617 -1.170 1.00 23.14 H new ATOM 0 HB3 LEU A 94 2.892 -4.336 -1.430 1.00 23.14 H new ATOM 0 HG LEU A 94 0.546 -3.297 -1.684 1.00 44.35 H new ATOM 0 HD11 LEU A 94 -0.590 -5.342 -0.933 1.00 11.34 H new ATOM 0 HD12 LEU A 94 0.903 -5.677 -1.842 1.00 11.34 H new ATOM 0 HD13 LEU A 94 0.887 -5.832 -0.070 1.00 11.34 H new ATOM 0 HD21 LEU A 94 -0.840 -3.271 0.376 1.00 33.43 H new ATOM 0 HD22 LEU A 94 0.624 -3.557 1.347 1.00 33.43 H new ATOM 0 HD23 LEU A 94 0.455 -2.051 0.413 1.00 33.43 H new ATOM 1578 N ASP A 95 4.077 -5.998 0.842 1.00 32.10 N ATOM 1579 CA ASP A 95 4.272 -7.341 1.421 1.00 32.23 C ATOM 1580 C ASP A 95 4.734 -7.240 2.891 1.00 2.53 C ATOM 1581 O ASP A 95 4.231 -7.946 3.779 1.00 20.24 O ATOM 1582 CB ASP A 95 5.328 -8.126 0.580 1.00 61.32 C ATOM 1583 CG ASP A 95 4.785 -8.711 -0.743 1.00 2.05 C ATOM 1584 OD1 ASP A 95 3.583 -9.041 -0.828 1.00 14.04 O ATOM 1585 OD2 ASP A 95 5.573 -8.854 -1.708 1.00 53.34 O ATOM 0 H ASP A 95 4.734 -5.786 0.092 1.00 32.10 H new ATOM 0 HA ASP A 95 3.322 -7.874 1.397 1.00 32.23 H new ATOM 0 HB2 ASP A 95 6.161 -7.461 0.354 1.00 61.32 H new ATOM 0 HB3 ASP A 95 5.725 -8.940 1.187 1.00 61.32 H new ATOM 1590 N MET A 96 5.682 -6.326 3.115 1.00 71.13 N ATOM 1591 CA MET A 96 6.299 -6.073 4.419 1.00 34.03 C ATOM 1592 C MET A 96 5.297 -5.461 5.428 1.00 64.44 C ATOM 1593 O MET A 96 5.466 -5.660 6.607 1.00 51.32 O ATOM 1594 CB MET A 96 7.547 -5.168 4.229 1.00 62.12 C ATOM 1595 CG MET A 96 8.296 -4.794 5.517 1.00 32.21 C ATOM 1596 SD MET A 96 8.822 -6.237 6.487 1.00 33.02 S ATOM 1597 CE MET A 96 9.838 -7.151 5.316 1.00 35.11 C ATOM 0 H MET A 96 6.050 -5.727 2.376 1.00 71.13 H new ATOM 0 HA MET A 96 6.613 -7.026 4.846 1.00 34.03 H new ATOM 0 HB2 MET A 96 8.242 -5.674 3.559 1.00 62.12 H new ATOM 0 HB3 MET A 96 7.236 -4.250 3.731 1.00 62.12 H new ATOM 0 HG2 MET A 96 9.172 -4.199 5.260 1.00 32.21 H new ATOM 0 HG3 MET A 96 7.653 -4.165 6.133 1.00 32.21 H new ATOM 0 HE1 MET A 96 10.346 -7.965 5.833 1.00 35.11 H new ATOM 0 HE2 MET A 96 9.206 -7.560 4.527 1.00 35.11 H new ATOM 0 HE3 MET A 96 10.579 -6.482 4.877 1.00 35.11 H new ATOM 1607 N VAL A 97 4.251 -4.741 4.955 1.00 13.45 N ATOM 1608 CA VAL A 97 3.223 -4.126 5.854 1.00 31.52 C ATOM 1609 C VAL A 97 2.503 -5.197 6.737 1.00 43.24 C ATOM 1610 O VAL A 97 2.245 -4.964 7.925 1.00 73.55 O ATOM 1611 CB VAL A 97 2.162 -3.272 5.056 1.00 74.43 C ATOM 1612 CG1 VAL A 97 1.129 -2.595 6.000 1.00 21.54 C ATOM 1613 CG2 VAL A 97 2.853 -2.213 4.169 1.00 13.12 C ATOM 0 H VAL A 97 4.090 -4.568 3.963 1.00 13.45 H new ATOM 0 HA VAL A 97 3.767 -3.450 6.514 1.00 31.52 H new ATOM 0 HB VAL A 97 1.619 -3.965 4.413 1.00 74.43 H new ATOM 0 HG11 VAL A 97 0.419 -2.018 5.408 1.00 21.54 H new ATOM 0 HG12 VAL A 97 0.595 -3.360 6.563 1.00 21.54 H new ATOM 0 HG13 VAL A 97 1.648 -1.931 6.692 1.00 21.54 H new ATOM 0 HG21 VAL A 97 2.098 -1.640 3.631 1.00 13.12 H new ATOM 0 HG22 VAL A 97 3.441 -1.541 4.795 1.00 13.12 H new ATOM 0 HG23 VAL A 97 3.509 -2.709 3.454 1.00 13.12 H new ATOM 1623 N THR A 98 2.213 -6.381 6.153 1.00 10.14 N ATOM 1624 CA THR A 98 1.671 -7.547 6.911 1.00 75.12 C ATOM 1625 C THR A 98 2.687 -8.025 7.986 1.00 60.04 C ATOM 1626 O THR A 98 2.337 -8.275 9.146 1.00 14.01 O ATOM 1627 CB THR A 98 1.349 -8.769 5.964 1.00 70.03 C ATOM 1628 OG1 THR A 98 0.633 -8.333 4.800 1.00 22.23 O ATOM 1629 CG2 THR A 98 0.517 -9.857 6.682 1.00 0.43 C ATOM 0 H THR A 98 2.343 -6.561 5.158 1.00 10.14 H new ATOM 0 HA THR A 98 0.749 -7.207 7.383 1.00 75.12 H new ATOM 0 HB THR A 98 2.307 -9.199 5.674 1.00 70.03 H new ATOM 0 HG1 THR A 98 1.135 -8.581 3.995 1.00 22.23 H new ATOM 0 HG21 THR A 98 0.319 -10.678 5.993 1.00 0.43 H new ATOM 0 HG22 THR A 98 1.072 -10.231 7.542 1.00 0.43 H new ATOM 0 HG23 THR A 98 -0.428 -9.430 7.018 1.00 0.43 H new ATOM 1637 N ARG A 99 3.952 -8.128 7.548 1.00 32.44 N ATOM 1638 CA ARG A 99 5.070 -8.684 8.332 1.00 11.14 C ATOM 1639 C ARG A 99 5.511 -7.737 9.494 1.00 54.23 C ATOM 1640 O ARG A 99 5.911 -8.198 10.564 1.00 35.13 O ATOM 1641 CB ARG A 99 6.241 -8.970 7.353 1.00 13.55 C ATOM 1642 CG ARG A 99 7.436 -9.753 7.939 1.00 12.04 C ATOM 1643 CD ARG A 99 7.020 -11.102 8.572 1.00 41.11 C ATOM 1644 NE ARG A 99 8.180 -11.970 8.850 1.00 42.01 N ATOM 1645 CZ ARG A 99 8.485 -12.511 10.011 1.00 24.32 C ATOM 1646 NH1 ARG A 99 7.789 -12.260 11.084 1.00 41.33 N ATOM 1647 NH2 ARG A 99 9.499 -13.309 10.090 1.00 31.40 N ATOM 0 H ARG A 99 4.234 -7.820 6.617 1.00 32.44 H new ATOM 0 HA ARG A 99 4.749 -9.607 8.815 1.00 11.14 H new ATOM 0 HB2 ARG A 99 5.849 -9.527 6.502 1.00 13.55 H new ATOM 0 HB3 ARG A 99 6.609 -8.018 6.969 1.00 13.55 H new ATOM 0 HG2 ARG A 99 8.165 -9.937 7.150 1.00 12.04 H new ATOM 0 HG3 ARG A 99 7.930 -9.141 8.693 1.00 12.04 H new ATOM 0 HD2 ARG A 99 6.479 -10.914 9.499 1.00 41.11 H new ATOM 0 HD3 ARG A 99 6.334 -11.619 7.901 1.00 41.11 H new ATOM 0 HE ARG A 99 8.805 -12.170 8.069 1.00 42.01 H new ATOM 0 HH11 ARG A 99 6.987 -11.632 11.036 1.00 41.33 H new ATOM 0 HH12 ARG A 99 8.046 -12.692 11.971 1.00 41.33 H new ATOM 0 HH21 ARG A 99 10.053 -13.513 9.258 1.00 31.40 H new ATOM 0 HH22 ARG A 99 9.745 -13.734 10.984 1.00 31.40 H new ATOM 1661 N GLU A 100 5.456 -6.419 9.254 1.00 42.43 N ATOM 1662 CA GLU A 100 5.840 -5.388 10.242 1.00 21.24 C ATOM 1663 C GLU A 100 4.702 -5.139 11.260 1.00 53.45 C ATOM 1664 O GLU A 100 4.964 -4.786 12.404 1.00 51.34 O ATOM 1665 CB GLU A 100 6.330 -4.077 9.528 1.00 50.34 C ATOM 1666 CG GLU A 100 5.267 -3.245 8.756 1.00 60.35 C ATOM 1667 CD GLU A 100 4.458 -2.274 9.634 1.00 52.42 C ATOM 1668 OE1 GLU A 100 5.076 -1.376 10.240 1.00 43.30 O ATOM 1669 OE2 GLU A 100 3.217 -2.413 9.745 1.00 72.50 O ATOM 0 H GLU A 100 5.142 -6.031 8.364 1.00 42.43 H new ATOM 0 HA GLU A 100 6.688 -5.758 10.818 1.00 21.24 H new ATOM 0 HB2 GLU A 100 6.782 -3.431 10.281 1.00 50.34 H new ATOM 0 HB3 GLU A 100 7.119 -4.349 8.827 1.00 50.34 H new ATOM 0 HG2 GLU A 100 5.768 -2.676 7.973 1.00 60.35 H new ATOM 0 HG3 GLU A 100 4.577 -3.929 8.262 1.00 60.35 H new ATOM 1676 N LEU A 101 3.431 -5.318 10.833 1.00 53.42 N ATOM 1677 CA LEU A 101 2.256 -5.258 11.742 1.00 4.11 C ATOM 1678 C LEU A 101 2.223 -6.511 12.662 1.00 14.41 C ATOM 1679 O LEU A 101 1.717 -6.470 13.790 1.00 23.43 O ATOM 1680 CB LEU A 101 0.933 -5.122 10.934 1.00 65.34 C ATOM 1681 CG LEU A 101 -0.336 -4.750 11.780 1.00 42.21 C ATOM 1682 CD1 LEU A 101 -0.179 -3.375 12.472 1.00 15.11 C ATOM 1683 CD2 LEU A 101 -1.625 -4.789 10.935 1.00 24.44 C ATOM 0 H LEU A 101 3.189 -5.506 9.860 1.00 53.42 H new ATOM 0 HA LEU A 101 2.351 -4.373 12.371 1.00 4.11 H new ATOM 0 HB2 LEU A 101 1.073 -4.361 10.166 1.00 65.34 H new ATOM 0 HB3 LEU A 101 0.743 -6.064 10.419 1.00 65.34 H new ATOM 0 HG LEU A 101 -0.426 -5.510 12.556 1.00 42.21 H new ATOM 0 HD11 LEU A 101 -1.077 -3.153 13.048 1.00 15.11 H new ATOM 0 HD12 LEU A 101 0.683 -3.400 13.139 1.00 15.11 H new ATOM 0 HD13 LEU A 101 -0.032 -2.603 11.717 1.00 15.11 H new ATOM 0 HD21 LEU A 101 -2.478 -4.525 11.560 1.00 24.44 H new ATOM 0 HD22 LEU A 101 -1.543 -4.077 10.114 1.00 24.44 H new ATOM 0 HD23 LEU A 101 -1.766 -5.792 10.533 1.00 24.44 H new ATOM 1695 N ASP A 102 2.777 -7.628 12.144 1.00 54.31 N ATOM 1696 CA ASP A 102 3.067 -8.853 12.929 1.00 3.24 C ATOM 1697 C ASP A 102 4.062 -8.558 14.102 1.00 11.41 C ATOM 1698 O ASP A 102 4.021 -9.213 15.146 1.00 13.05 O ATOM 1699 CB ASP A 102 3.623 -9.938 11.973 1.00 5.31 C ATOM 1700 CG ASP A 102 4.045 -11.239 12.675 1.00 52.45 C ATOM 1701 OD1 ASP A 102 3.161 -11.997 13.124 1.00 22.22 O ATOM 1702 OD2 ASP A 102 5.265 -11.504 12.779 1.00 2.12 O ATOM 0 H ASP A 102 3.039 -7.708 11.161 1.00 54.31 H new ATOM 0 HA ASP A 102 2.146 -9.215 13.387 1.00 3.24 H new ATOM 0 HB2 ASP A 102 2.865 -10.171 11.225 1.00 5.31 H new ATOM 0 HB3 ASP A 102 4.482 -9.531 11.440 1.00 5.31 H new ATOM 1707 N LYS A 103 4.938 -7.559 13.902 1.00 70.13 N ATOM 1708 CA LYS A 103 5.869 -7.050 14.943 1.00 73.32 C ATOM 1709 C LYS A 103 5.126 -6.197 16.022 1.00 73.04 C ATOM 1710 O LYS A 103 5.524 -6.192 17.195 1.00 43.22 O ATOM 1711 CB LYS A 103 6.987 -6.224 14.254 1.00 14.14 C ATOM 1712 CG LYS A 103 7.983 -5.510 15.195 1.00 12.24 C ATOM 1713 CD LYS A 103 9.062 -4.725 14.416 1.00 62.00 C ATOM 1714 CE LYS A 103 8.471 -3.595 13.545 1.00 55.14 C ATOM 1715 NZ LYS A 103 9.508 -2.939 12.719 1.00 44.05 N ATOM 0 H LYS A 103 5.027 -7.073 13.009 1.00 70.13 H new ATOM 0 HA LYS A 103 6.309 -7.899 15.467 1.00 73.32 H new ATOM 0 HB2 LYS A 103 7.550 -6.889 13.599 1.00 14.14 H new ATOM 0 HB3 LYS A 103 6.517 -5.473 13.619 1.00 14.14 H new ATOM 0 HG2 LYS A 103 7.438 -4.827 15.847 1.00 12.24 H new ATOM 0 HG3 LYS A 103 8.465 -6.247 15.838 1.00 12.24 H new ATOM 0 HD2 LYS A 103 9.774 -4.298 15.122 1.00 62.00 H new ATOM 0 HD3 LYS A 103 9.618 -5.414 13.780 1.00 62.00 H new ATOM 0 HE2 LYS A 103 7.695 -4.003 12.898 1.00 55.14 H new ATOM 0 HE3 LYS A 103 7.994 -2.854 14.186 1.00 55.14 H new ATOM 0 HZ1 LYS A 103 9.073 -2.186 12.149 1.00 44.05 H new ATOM 0 HZ2 LYS A 103 10.236 -2.528 13.338 1.00 44.05 H new ATOM 0 HZ3 LYS A 103 9.946 -3.641 12.089 1.00 44.05 H new ATOM 1729 N LYS A 104 4.058 -5.476 15.605 1.00 73.52 N ATOM 1730 CA LYS A 104 3.176 -4.699 16.534 1.00 71.42 C ATOM 1731 C LYS A 104 2.467 -5.647 17.534 1.00 45.22 C ATOM 1732 O LYS A 104 2.470 -5.406 18.747 1.00 72.22 O ATOM 1733 CB LYS A 104 2.101 -3.860 15.750 1.00 41.52 C ATOM 1734 CG LYS A 104 2.568 -2.505 15.154 1.00 55.35 C ATOM 1735 CD LYS A 104 3.836 -2.618 14.288 1.00 43.12 C ATOM 1736 CE LYS A 104 4.118 -1.362 13.460 1.00 10.15 C ATOM 1737 NZ LYS A 104 3.084 -1.157 12.404 1.00 5.51 N ATOM 0 H LYS A 104 3.778 -5.411 14.626 1.00 73.52 H new ATOM 0 HA LYS A 104 3.816 -4.007 17.082 1.00 71.42 H new ATOM 0 HB2 LYS A 104 1.718 -4.475 14.936 1.00 41.52 H new ATOM 0 HB3 LYS A 104 1.266 -3.665 16.423 1.00 41.52 H new ATOM 0 HG2 LYS A 104 1.762 -2.086 14.551 1.00 55.35 H new ATOM 0 HG3 LYS A 104 2.755 -1.805 15.968 1.00 55.35 H new ATOM 0 HD2 LYS A 104 4.691 -2.819 14.933 1.00 43.12 H new ATOM 0 HD3 LYS A 104 3.735 -3.471 13.618 1.00 43.12 H new ATOM 0 HE2 LYS A 104 4.147 -0.492 14.116 1.00 10.15 H new ATOM 0 HE3 LYS A 104 5.101 -1.444 12.996 1.00 10.15 H new ATOM 0 HZ1 LYS A 104 3.526 -0.734 11.563 1.00 5.51 H new ATOM 0 HZ2 LYS A 104 2.661 -2.073 12.150 1.00 5.51 H new ATOM 0 HZ3 LYS A 104 2.343 -0.521 12.762 1.00 5.51 H new ATOM 1751 N VAL A 105 1.872 -6.738 17.002 1.00 30.25 N ATOM 1752 CA VAL A 105 1.161 -7.746 17.826 1.00 23.24 C ATOM 1753 C VAL A 105 2.151 -8.671 18.588 1.00 11.34 C ATOM 1754 O VAL A 105 1.786 -9.283 19.593 1.00 41.51 O ATOM 1755 CB VAL A 105 0.152 -8.599 16.967 1.00 12.21 C ATOM 1756 CG1 VAL A 105 -0.883 -7.683 16.261 1.00 21.21 C ATOM 1757 CG2 VAL A 105 0.885 -9.507 15.946 1.00 14.23 C ATOM 0 H VAL A 105 1.869 -6.945 16.003 1.00 30.25 H new ATOM 0 HA VAL A 105 0.584 -7.192 18.566 1.00 23.24 H new ATOM 0 HB VAL A 105 -0.385 -9.256 17.651 1.00 12.21 H new ATOM 0 HG11 VAL A 105 -1.569 -8.294 15.674 1.00 21.21 H new ATOM 0 HG12 VAL A 105 -1.445 -7.124 17.010 1.00 21.21 H new ATOM 0 HG13 VAL A 105 -0.363 -6.987 15.603 1.00 21.21 H new ATOM 0 HG21 VAL A 105 0.153 -10.077 15.375 1.00 14.23 H new ATOM 0 HG22 VAL A 105 1.474 -8.890 15.267 1.00 14.23 H new ATOM 0 HG23 VAL A 105 1.545 -10.193 16.477 1.00 14.23 H new ATOM 1767 N SER A 106 3.410 -8.754 18.096 1.00 3.41 N ATOM 1768 CA SER A 106 4.527 -9.434 18.812 1.00 35.14 C ATOM 1769 C SER A 106 4.916 -8.675 20.108 1.00 24.22 C ATOM 1770 O SER A 106 5.571 -9.234 20.999 1.00 15.02 O ATOM 1771 CB SER A 106 5.766 -9.560 17.883 1.00 72.41 C ATOM 1772 OG SER A 106 6.878 -10.170 18.534 1.00 34.32 O ATOM 0 H SER A 106 3.684 -8.356 17.198 1.00 3.41 H new ATOM 0 HA SER A 106 4.183 -10.430 19.092 1.00 35.14 H new ATOM 0 HB2 SER A 106 5.498 -10.146 17.003 1.00 72.41 H new ATOM 0 HB3 SER A 106 6.054 -8.569 17.531 1.00 72.41 H new ATOM 0 HG SER A 106 7.417 -10.655 17.875 1.00 34.32 H new ATOM 1778 N GLY A 107 4.502 -7.392 20.200 1.00 3.01 N ATOM 1779 CA GLY A 107 4.841 -6.527 21.336 1.00 34.32 C ATOM 1780 C GLY A 107 6.176 -5.818 21.124 1.00 0.32 C ATOM 1781 O GLY A 107 6.242 -4.585 21.090 1.00 50.13 O ATOM 0 H GLY A 107 3.928 -6.936 19.491 1.00 3.01 H new ATOM 0 HA2 GLY A 107 4.054 -5.787 21.478 1.00 34.32 H new ATOM 0 HA3 GLY A 107 4.886 -7.123 22.247 1.00 34.32 H new ATOM 1785 N SER A 108 7.242 -6.623 20.968 1.00 74.12 N ATOM 1786 CA SER A 108 8.595 -6.132 20.655 1.00 20.51 C ATOM 1787 C SER A 108 9.423 -7.252 19.982 1.00 51.23 C ATOM 1788 O SER A 108 10.010 -8.102 20.662 1.00 11.03 O ATOM 1789 CB SER A 108 9.305 -5.613 21.933 1.00 12.13 C ATOM 1790 OG SER A 108 10.611 -5.136 21.651 1.00 32.43 O ATOM 0 H SER A 108 7.188 -7.638 21.056 1.00 74.12 H new ATOM 0 HA SER A 108 8.509 -5.297 19.960 1.00 20.51 H new ATOM 0 HB2 SER A 108 8.714 -4.813 22.378 1.00 12.13 H new ATOM 0 HB3 SER A 108 9.362 -6.415 22.669 1.00 12.13 H new ATOM 0 HG SER A 108 11.028 -4.816 22.478 1.00 32.43 H new ATOM 1796 N TYR A 109 9.405 -7.283 18.636 1.00 3.15 N ATOM 1797 CA TYR A 109 10.255 -8.198 17.839 1.00 51.13 C ATOM 1798 C TYR A 109 11.611 -7.515 17.530 1.00 43.43 C ATOM 1799 O TYR A 109 12.665 -7.973 17.983 1.00 25.24 O ATOM 1800 CB TYR A 109 9.509 -8.617 16.540 1.00 71.40 C ATOM 1801 CG TYR A 109 10.289 -9.558 15.598 1.00 21.22 C ATOM 1802 CD1 TYR A 109 10.789 -10.782 16.054 1.00 12.21 C ATOM 1803 CD2 TYR A 109 10.512 -9.228 14.252 1.00 43.31 C ATOM 1804 CE1 TYR A 109 11.484 -11.631 15.211 1.00 3.20 C ATOM 1805 CE2 TYR A 109 11.207 -10.080 13.408 1.00 65.02 C ATOM 1806 CZ TYR A 109 11.688 -11.277 13.893 1.00 20.43 C ATOM 1807 OH TYR A 109 12.382 -12.126 13.054 1.00 34.30 O ATOM 0 H TYR A 109 8.807 -6.681 18.071 1.00 3.15 H new ATOM 0 HA TYR A 109 10.460 -9.104 18.409 1.00 51.13 H new ATOM 0 HB2 TYR A 109 8.575 -9.104 16.820 1.00 71.40 H new ATOM 0 HB3 TYR A 109 9.245 -7.716 15.987 1.00 71.40 H new ATOM 0 HD1 TYR A 109 10.630 -11.070 17.083 1.00 12.21 H new ATOM 0 HD2 TYR A 109 10.135 -8.292 13.867 1.00 43.31 H new ATOM 0 HE1 TYR A 109 11.866 -12.570 15.584 1.00 3.20 H new ATOM 0 HE2 TYR A 109 11.371 -9.807 12.376 1.00 65.02 H new ATOM 0 HH TYR A 109 12.437 -11.729 12.160 1.00 34.30 H new ATOM 1817 N LEU A 110 11.572 -6.401 16.765 1.00 1.53 N ATOM 1818 CA LEU A 110 12.776 -5.604 16.411 1.00 61.13 C ATOM 1819 C LEU A 110 12.518 -4.092 16.636 1.00 53.04 C ATOM 1820 O LEU A 110 11.752 -3.466 15.894 1.00 15.20 O ATOM 1821 CB LEU A 110 13.199 -5.885 14.934 1.00 33.11 C ATOM 1822 CG LEU A 110 13.776 -7.314 14.643 1.00 71.42 C ATOM 1823 CD1 LEU A 110 14.043 -7.533 13.134 1.00 74.13 C ATOM 1824 CD2 LEU A 110 15.055 -7.574 15.481 1.00 61.41 C ATOM 0 H LEU A 110 10.707 -6.027 16.374 1.00 1.53 H new ATOM 0 HA LEU A 110 13.595 -5.905 17.064 1.00 61.13 H new ATOM 0 HB2 LEU A 110 12.332 -5.728 14.293 1.00 33.11 H new ATOM 0 HB3 LEU A 110 13.947 -5.147 14.645 1.00 33.11 H new ATOM 0 HG LEU A 110 13.019 -8.039 14.943 1.00 71.42 H new ATOM 0 HD11 LEU A 110 14.442 -8.535 12.977 1.00 74.13 H new ATOM 0 HD12 LEU A 110 13.111 -7.422 12.580 1.00 74.13 H new ATOM 0 HD13 LEU A 110 14.764 -6.796 12.781 1.00 74.13 H new ATOM 0 HD21 LEU A 110 15.437 -8.571 15.262 1.00 61.41 H new ATOM 0 HD22 LEU A 110 15.812 -6.832 15.229 1.00 61.41 H new ATOM 0 HD23 LEU A 110 14.816 -7.502 16.542 1.00 61.41 H new ATOM 1836 N VAL A 111 13.146 -3.528 17.687 1.00 71.25 N ATOM 1837 CA VAL A 111 13.029 -2.091 18.034 1.00 73.53 C ATOM 1838 C VAL A 111 13.868 -1.188 17.071 1.00 50.41 C ATOM 1839 O VAL A 111 15.016 -1.530 16.743 1.00 72.22 O ATOM 1840 CB VAL A 111 13.450 -1.833 19.539 1.00 60.34 C ATOM 1841 CG1 VAL A 111 12.456 -2.513 20.517 1.00 41.11 C ATOM 1842 CG2 VAL A 111 14.906 -2.297 19.819 1.00 0.51 C ATOM 0 H VAL A 111 13.749 -4.052 18.321 1.00 71.25 H new ATOM 0 HA VAL A 111 11.980 -1.819 17.914 1.00 73.53 H new ATOM 0 HB VAL A 111 13.413 -0.756 19.706 1.00 60.34 H new ATOM 0 HG11 VAL A 111 12.767 -2.321 21.544 1.00 41.11 H new ATOM 0 HG12 VAL A 111 11.456 -2.109 20.359 1.00 41.11 H new ATOM 0 HG13 VAL A 111 12.445 -3.588 20.336 1.00 41.11 H new ATOM 0 HG21 VAL A 111 15.156 -2.102 20.862 1.00 0.51 H new ATOM 0 HG22 VAL A 111 14.993 -3.365 19.618 1.00 0.51 H new ATOM 0 HG23 VAL A 111 15.593 -1.750 19.173 1.00 0.51 H new ATOM 1852 N PRO A 112 13.299 -0.029 16.582 1.00 54.20 N ATOM 1853 CA PRO A 112 14.025 0.891 15.670 1.00 21.30 C ATOM 1854 C PRO A 112 15.105 1.748 16.399 1.00 72.13 C ATOM 1855 O PRO A 112 14.809 2.788 17.001 1.00 2.24 O ATOM 1856 CB PRO A 112 12.885 1.755 15.064 1.00 32.40 C ATOM 1857 CG PRO A 112 11.826 1.788 16.131 1.00 23.35 C ATOM 1858 CD PRO A 112 11.909 0.450 16.853 1.00 63.31 C ATOM 0 HA PRO A 112 14.604 0.360 14.915 1.00 21.30 H new ATOM 0 HB2 PRO A 112 13.234 2.758 14.821 1.00 32.40 H new ATOM 0 HB3 PRO A 112 12.504 1.318 14.141 1.00 32.40 H new ATOM 0 HG2 PRO A 112 11.995 2.614 16.822 1.00 23.35 H new ATOM 0 HG3 PRO A 112 10.838 1.934 15.695 1.00 23.35 H new ATOM 0 HD2 PRO A 112 11.728 0.563 17.922 1.00 63.31 H new ATOM 0 HD3 PRO A 112 11.165 -0.252 16.476 1.00 63.31 H new ATOM 1866 N ARG A 113 16.357 1.254 16.374 1.00 22.43 N ATOM 1867 CA ARG A 113 17.545 1.965 16.916 1.00 51.43 C ATOM 1868 C ARG A 113 18.468 2.431 15.746 1.00 25.24 C ATOM 1869 O ARG A 113 19.161 1.577 15.144 1.00 36.71 O ATOM 1870 CB ARG A 113 18.316 1.039 17.898 1.00 3.52 C ATOM 1871 CG ARG A 113 17.513 0.620 19.151 1.00 30.44 C ATOM 1872 CD ARG A 113 18.290 -0.373 20.035 1.00 12.31 C ATOM 1873 NE ARG A 113 18.565 -1.645 19.330 1.00 60.44 N ATOM 1874 CZ ARG A 113 19.745 -2.219 19.194 1.00 31.05 C ATOM 1875 NH1 ARG A 113 20.818 -1.692 19.703 1.00 60.41 N ATOM 1876 NH2 ARG A 113 19.834 -3.336 18.549 1.00 54.52 N ATOM 1877 OXT ARG A 113 18.471 3.640 15.415 1.00 36.71 O ATOM 0 H ARG A 113 16.581 0.343 15.975 1.00 22.43 H new ATOM 0 HA ARG A 113 17.217 2.848 17.465 1.00 51.43 H new ATOM 0 HB2 ARG A 113 18.625 0.141 17.363 1.00 3.52 H new ATOM 0 HB3 ARG A 113 19.225 1.548 18.218 1.00 3.52 H new ATOM 0 HG2 ARG A 113 17.265 1.507 19.735 1.00 30.44 H new ATOM 0 HG3 ARG A 113 16.570 0.168 18.842 1.00 30.44 H new ATOM 0 HD2 ARG A 113 19.231 0.079 20.347 1.00 12.31 H new ATOM 0 HD3 ARG A 113 17.718 -0.577 20.940 1.00 12.31 H new ATOM 0 HE ARG A 113 17.768 -2.122 18.910 1.00 60.44 H new ATOM 0 HH11 ARG A 113 20.759 -0.815 20.221 1.00 60.41 H new ATOM 0 HH12 ARG A 113 21.719 -2.155 19.584 1.00 60.41 H new ATOM 0 HH21 ARG A 113 18.997 -3.764 18.152 1.00 54.52 H new ATOM 0 HH22 ARG A 113 20.741 -3.789 18.437 1.00 54.52 H new TER 1891 ARG A 113