USER MOD reduce.3.24.130724 H: found=0, std=0, add=604, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 604 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 45 TYR OH : rot -130:sc= -0.168 USER MOD Set 1.2: A 48 THR OG1 : rot 93:sc= 0.607 USER MOD Set 2.1: A 9 TYR OH : rot -5:sc= 1.34 USER MOD Set 2.2: A 35 TYR OH : rot -15:sc= 0.625 USER MOD Set 3.1: A 6 THR OG1 : rot -126:sc= -2.39! USER MOD Set 3.2: A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl -165:sc= -0.0376 (180deg=-0.324) USER MOD Single : A 1 MET N :NH3+ -104:sc= 0.106 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00883) USER MOD Single : A 18 GLN : amide:sc= -0.433 X(o=-0.43,f=-0.93) USER MOD Single : A 24 THR OG1 : rot 32:sc= 0.0672 USER MOD Single : A 26 THR OG1 : rot -87:sc= 0.393 USER MOD Single : A 28 LYS NZ :NH3+ -170:sc= -0.0015 (180deg=-0.0897) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 180:sc= -0.0789 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 180:sc= -0.0544 USER MOD Single : A 55 SER OG : rot 71:sc= 0.217 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 THR OG1 : rot 180:sc= -0.682 USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 71 ASN : amide:sc= -0.677 K(o=-0.68,f=-6!) USER MOD Single : A 75 HIS : no HD1:sc= 0.0849 K(o=0.085,f=-0.85) USER MOD Single : A 77 LYS NZ :NH3+ -145:sc= 1.26 (180deg=0.42) USER MOD Single : A 78 HIS : no HE2:sc= 0 K(o=0,f=-0.54) USER MOD Single : A 82 HIS : no HD1:sc= -0.14 X(o=-0.14,f=0) USER MOD Single : A 83 HIS : no HD1:sc= -0.013 X(o=-0.013,f=-0.38) USER MOD Single : A 84 HIS : no HD1:sc= 0 X(o=0,f=-0.0022) USER MOD Single : A 85 HIS : no HD1:sc=-0.00155 X(o=-0.0015,f=-0.004) USER MOD Single : A 86 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 87 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -6.958 21.382 3.954 1.00 51.21 N ATOM 2 CA MET A 1 -5.902 21.473 2.906 1.00 1.44 C ATOM 3 C MET A 1 -5.904 20.193 2.036 1.00 4.42 C ATOM 4 O MET A 1 -6.566 19.213 2.376 1.00 42.10 O ATOM 5 CB MET A 1 -4.513 21.713 3.580 1.00 15.43 C ATOM 6 CG MET A 1 -3.343 22.017 2.623 1.00 75.10 C ATOM 7 SD MET A 1 -1.768 22.222 3.489 1.00 2.01 S ATOM 8 CE MET A 1 -2.067 23.680 4.492 1.00 10.10 C ATOM 0 H1 MET A 1 -7.766 21.979 3.685 1.00 51.21 H new ATOM 0 H2 MET A 1 -7.272 20.395 4.045 1.00 51.21 H new ATOM 0 H3 MET A 1 -6.573 21.708 4.864 1.00 51.21 H new ATOM 0 HA MET A 1 -6.108 22.317 2.248 1.00 1.44 H new ATOM 0 HB2 MET A 1 -4.609 22.543 4.280 1.00 15.43 H new ATOM 0 HB3 MET A 1 -4.258 20.830 4.166 1.00 15.43 H new ATOM 0 HG2 MET A 1 -3.252 21.208 1.899 1.00 75.10 H new ATOM 0 HG3 MET A 1 -3.565 22.924 2.061 1.00 75.10 H new ATOM 0 HE1 MET A 1 -1.118 24.068 4.862 1.00 10.10 H new ATOM 0 HE2 MET A 1 -2.560 24.442 3.888 1.00 10.10 H new ATOM 0 HE3 MET A 1 -2.705 23.417 5.336 1.00 10.10 H new ATOM 20 N ASP A 2 -5.220 20.229 0.877 1.00 34.43 N ATOM 21 CA ASP A 2 -4.946 19.017 0.072 1.00 32.33 C ATOM 22 C ASP A 2 -3.643 18.335 0.576 1.00 30.55 C ATOM 23 O ASP A 2 -2.551 18.911 0.492 1.00 54.45 O ATOM 24 CB ASP A 2 -4.878 19.355 -1.446 1.00 64.12 C ATOM 25 CG ASP A 2 -3.948 20.534 -1.776 1.00 0.24 C ATOM 26 OD1 ASP A 2 -4.354 21.697 -1.559 1.00 40.42 O ATOM 27 OD2 ASP A 2 -2.806 20.311 -2.245 1.00 3.42 O ATOM 0 H ASP A 2 -4.844 21.087 0.473 1.00 34.43 H new ATOM 0 HA ASP A 2 -5.768 18.313 0.199 1.00 32.33 H new ATOM 0 HB2 ASP A 2 -4.540 18.473 -1.991 1.00 64.12 H new ATOM 0 HB3 ASP A 2 -5.882 19.585 -1.803 1.00 64.12 H new ATOM 32 N GLU A 3 -3.779 17.113 1.127 1.00 74.35 N ATOM 33 CA GLU A 3 -2.653 16.357 1.740 1.00 34.53 C ATOM 34 C GLU A 3 -2.290 15.091 0.929 1.00 75.31 C ATOM 35 O GLU A 3 -2.996 14.706 -0.016 1.00 33.21 O ATOM 36 CB GLU A 3 -2.932 16.006 3.242 1.00 44.32 C ATOM 37 CG GLU A 3 -4.259 15.265 3.547 1.00 63.52 C ATOM 38 CD GLU A 3 -5.497 16.180 3.479 1.00 10.40 C ATOM 39 OE1 GLU A 3 -5.626 17.074 4.347 1.00 23.41 O ATOM 40 OE2 GLU A 3 -6.323 16.031 2.556 1.00 2.14 O ATOM 0 H GLU A 3 -4.669 16.617 1.163 1.00 74.35 H new ATOM 0 HA GLU A 3 -1.787 17.018 1.713 1.00 34.53 H new ATOM 0 HB2 GLU A 3 -2.108 15.393 3.607 1.00 44.32 H new ATOM 0 HB3 GLU A 3 -2.919 16.932 3.816 1.00 44.32 H new ATOM 0 HG2 GLU A 3 -4.381 14.446 2.838 1.00 63.52 H new ATOM 0 HG3 GLU A 3 -4.199 14.820 4.540 1.00 63.52 H new ATOM 47 N ASP A 4 -1.153 14.463 1.313 1.00 14.32 N ATOM 48 CA ASP A 4 -0.511 13.369 0.542 1.00 32.45 C ATOM 49 C ASP A 4 -0.594 12.012 1.284 1.00 4.14 C ATOM 50 O ASP A 4 -0.259 11.918 2.467 1.00 22.33 O ATOM 51 CB ASP A 4 0.978 13.726 0.284 1.00 72.41 C ATOM 52 CG ASP A 4 1.149 15.144 -0.286 1.00 42.55 C ATOM 53 OD1 ASP A 4 1.079 15.318 -1.517 1.00 4.11 O ATOM 54 OD2 ASP A 4 1.328 16.094 0.509 1.00 73.15 O ATOM 0 H ASP A 4 -0.653 14.701 2.169 1.00 14.32 H new ATOM 0 HA ASP A 4 -1.047 13.266 -0.402 1.00 32.45 H new ATOM 0 HB2 ASP A 4 1.536 13.642 1.217 1.00 72.41 H new ATOM 0 HB3 ASP A 4 1.407 13.004 -0.410 1.00 72.41 H new ATOM 59 N ALA A 5 -1.013 10.965 0.560 1.00 55.54 N ATOM 60 CA ALA A 5 -0.999 9.574 1.049 1.00 13.23 C ATOM 61 C ALA A 5 0.027 8.760 0.247 1.00 32.04 C ATOM 62 O ALA A 5 -0.105 8.641 -0.977 1.00 40.52 O ATOM 63 CB ALA A 5 -2.393 8.959 0.907 1.00 24.13 C ATOM 0 H ALA A 5 -1.375 11.057 -0.389 1.00 55.54 H new ATOM 0 HA ALA A 5 -0.718 9.561 2.102 1.00 13.23 H new ATOM 0 HB1 ALA A 5 -2.376 7.931 1.270 1.00 24.13 H new ATOM 0 HB2 ALA A 5 -3.108 9.538 1.491 1.00 24.13 H new ATOM 0 HB3 ALA A 5 -2.690 8.968 -0.142 1.00 24.13 H new ATOM 69 N THR A 6 1.051 8.203 0.919 1.00 42.10 N ATOM 70 CA THR A 6 2.084 7.401 0.234 1.00 45.13 C ATOM 71 C THR A 6 1.809 5.898 0.353 1.00 32.52 C ATOM 72 O THR A 6 1.397 5.403 1.402 1.00 33.33 O ATOM 73 CB THR A 6 3.537 7.697 0.720 1.00 41.00 C ATOM 74 OG1 THR A 6 4.451 6.874 -0.016 1.00 43.32 O ATOM 75 CG2 THR A 6 3.764 7.462 2.223 1.00 62.42 C ATOM 0 H THR A 6 1.186 8.291 1.926 1.00 42.10 H new ATOM 0 HA THR A 6 2.020 7.704 -0.811 1.00 45.13 H new ATOM 0 HB THR A 6 3.706 8.759 0.544 1.00 41.00 H new ATOM 0 HG1 THR A 6 5.012 6.369 0.609 1.00 43.32 H new ATOM 0 HG21 THR A 6 4.799 7.692 2.475 1.00 62.42 H new ATOM 0 HG22 THR A 6 3.099 8.108 2.797 1.00 62.42 H new ATOM 0 HG23 THR A 6 3.554 6.420 2.464 1.00 62.42 H new ATOM 83 N ILE A 7 2.051 5.192 -0.752 1.00 44.12 N ATOM 84 CA ILE A 7 1.969 3.737 -0.833 1.00 20.11 C ATOM 85 C ILE A 7 3.410 3.184 -0.866 1.00 63.24 C ATOM 86 O ILE A 7 4.151 3.412 -1.831 1.00 44.31 O ATOM 87 CB ILE A 7 1.171 3.240 -2.106 1.00 44.52 C ATOM 88 CG1 ILE A 7 -0.336 3.711 -2.102 1.00 75.13 C ATOM 89 CG2 ILE A 7 1.254 1.703 -2.224 1.00 25.41 C ATOM 90 CD1 ILE A 7 -0.580 5.176 -2.453 1.00 23.22 C ATOM 0 H ILE A 7 2.316 5.628 -1.635 1.00 44.12 H new ATOM 0 HA ILE A 7 1.422 3.371 0.036 1.00 20.11 H new ATOM 0 HB ILE A 7 1.643 3.696 -2.976 1.00 44.52 H new ATOM 0 HG12 ILE A 7 -0.891 3.092 -2.807 1.00 75.13 H new ATOM 0 HG13 ILE A 7 -0.753 3.521 -1.113 1.00 75.13 H new ATOM 0 HG21 ILE A 7 0.701 1.375 -3.104 1.00 25.41 H new ATOM 0 HG22 ILE A 7 2.297 1.401 -2.318 1.00 25.41 H new ATOM 0 HG23 ILE A 7 0.823 1.246 -1.333 1.00 25.41 H new ATOM 0 HD11 ILE A 7 -1.649 5.385 -2.419 1.00 23.22 H new ATOM 0 HD12 ILE A 7 -0.062 5.813 -1.736 1.00 23.22 H new ATOM 0 HD13 ILE A 7 -0.203 5.378 -3.456 1.00 23.22 H new ATOM 102 N THR A 8 3.796 2.481 0.200 1.00 41.01 N ATOM 103 CA THR A 8 5.159 1.947 0.373 1.00 11.31 C ATOM 104 C THR A 8 5.100 0.426 0.627 1.00 4.31 C ATOM 105 O THR A 8 4.641 -0.026 1.687 1.00 72.24 O ATOM 106 CB THR A 8 5.896 2.672 1.558 1.00 21.14 C ATOM 107 OG1 THR A 8 5.944 4.092 1.311 1.00 43.21 O ATOM 108 CG2 THR A 8 7.333 2.156 1.767 1.00 13.42 C ATOM 0 H THR A 8 3.172 2.262 0.976 1.00 41.01 H new ATOM 0 HA THR A 8 5.723 2.132 -0.541 1.00 11.31 H new ATOM 0 HB THR A 8 5.327 2.456 2.462 1.00 21.14 H new ATOM 0 HG1 THR A 8 6.403 4.538 2.053 1.00 43.21 H new ATOM 0 HG21 THR A 8 7.795 2.691 2.597 1.00 13.42 H new ATOM 0 HG22 THR A 8 7.308 1.090 1.992 1.00 13.42 H new ATOM 0 HG23 THR A 8 7.915 2.322 0.860 1.00 13.42 H new ATOM 116 N TYR A 9 5.521 -0.357 -0.379 1.00 11.25 N ATOM 117 CA TYR A 9 5.688 -1.821 -0.242 1.00 72.02 C ATOM 118 C TYR A 9 6.965 -2.111 0.582 1.00 53.51 C ATOM 119 O TYR A 9 7.968 -1.412 0.431 1.00 21.43 O ATOM 120 CB TYR A 9 5.794 -2.514 -1.630 1.00 1.30 C ATOM 121 CG TYR A 9 4.582 -2.323 -2.563 1.00 12.22 C ATOM 122 CD1 TYR A 9 4.302 -1.077 -3.144 1.00 4.42 C ATOM 123 CD2 TYR A 9 3.724 -3.386 -2.874 1.00 1.10 C ATOM 124 CE1 TYR A 9 3.227 -0.904 -3.988 1.00 2.32 C ATOM 125 CE2 TYR A 9 2.647 -3.213 -3.723 1.00 33.51 C ATOM 126 CZ TYR A 9 2.401 -1.971 -4.275 1.00 35.14 C ATOM 127 OH TYR A 9 1.327 -1.794 -5.116 1.00 35.35 O ATOM 0 H TYR A 9 5.755 -0.001 -1.306 1.00 11.25 H new ATOM 0 HA TYR A 9 4.811 -2.221 0.267 1.00 72.02 H new ATOM 0 HB2 TYR A 9 6.683 -2.138 -2.137 1.00 1.30 H new ATOM 0 HB3 TYR A 9 5.944 -3.582 -1.473 1.00 1.30 H new ATOM 0 HD1 TYR A 9 4.943 -0.236 -2.925 1.00 4.42 H new ATOM 0 HD2 TYR A 9 3.908 -4.359 -2.442 1.00 1.10 H new ATOM 0 HE1 TYR A 9 3.031 0.065 -4.424 1.00 2.32 H new ATOM 0 HE2 TYR A 9 2.000 -4.046 -3.954 1.00 33.51 H new ATOM 0 HH TYR A 9 1.250 -0.846 -5.353 1.00 35.35 H new ATOM 137 N VAL A 10 6.900 -3.117 1.467 1.00 62.21 N ATOM 138 CA VAL A 10 8.037 -3.563 2.310 1.00 33.21 C ATOM 139 C VAL A 10 7.988 -5.100 2.487 1.00 74.00 C ATOM 140 O VAL A 10 6.901 -5.682 2.537 1.00 21.11 O ATOM 141 CB VAL A 10 8.057 -2.871 3.746 1.00 64.25 C ATOM 142 CG1 VAL A 10 8.360 -1.351 3.669 1.00 63.22 C ATOM 143 CG2 VAL A 10 6.746 -3.132 4.533 1.00 32.15 C ATOM 0 H VAL A 10 6.048 -3.656 1.625 1.00 62.21 H new ATOM 0 HA VAL A 10 8.948 -3.263 1.791 1.00 33.21 H new ATOM 0 HB VAL A 10 8.876 -3.337 4.294 1.00 64.25 H new ATOM 0 HG11 VAL A 10 8.362 -0.929 4.674 1.00 63.22 H new ATOM 0 HG12 VAL A 10 9.336 -1.197 3.209 1.00 63.22 H new ATOM 0 HG13 VAL A 10 7.595 -0.857 3.070 1.00 63.22 H new ATOM 0 HG21 VAL A 10 6.802 -2.643 5.505 1.00 32.15 H new ATOM 0 HG22 VAL A 10 5.900 -2.732 3.974 1.00 32.15 H new ATOM 0 HG23 VAL A 10 6.613 -4.205 4.674 1.00 32.15 H new ATOM 153 N ASP A 11 9.158 -5.769 2.564 1.00 23.10 N ATOM 154 CA ASP A 11 9.223 -7.217 2.863 1.00 1.20 C ATOM 155 C ASP A 11 9.636 -7.458 4.338 1.00 31.50 C ATOM 156 O ASP A 11 10.613 -6.880 4.830 1.00 30.44 O ATOM 157 CB ASP A 11 10.169 -7.951 1.878 1.00 44.32 C ATOM 158 CG ASP A 11 11.637 -7.485 1.947 1.00 74.22 C ATOM 159 OD1 ASP A 11 11.995 -6.512 1.259 1.00 11.32 O ATOM 160 OD2 ASP A 11 12.440 -8.112 2.675 1.00 15.41 O ATOM 0 H ASP A 11 10.069 -5.332 2.424 1.00 23.10 H new ATOM 0 HA ASP A 11 8.226 -7.636 2.727 1.00 1.20 H new ATOM 0 HB2 ASP A 11 10.129 -9.021 2.082 1.00 44.32 H new ATOM 0 HB3 ASP A 11 9.801 -7.807 0.862 1.00 44.32 H new ATOM 165 N ASP A 12 8.860 -8.311 5.031 1.00 72.15 N ATOM 166 CA ASP A 12 9.110 -8.715 6.428 1.00 63.41 C ATOM 167 C ASP A 12 10.484 -9.423 6.594 1.00 4.42 C ATOM 168 O ASP A 12 11.104 -9.332 7.664 1.00 62.44 O ATOM 169 CB ASP A 12 7.952 -9.639 6.894 1.00 71.41 C ATOM 170 CG ASP A 12 8.032 -10.032 8.381 1.00 4.11 C ATOM 171 OD1 ASP A 12 8.685 -11.051 8.709 1.00 61.22 O ATOM 172 OD2 ASP A 12 7.452 -9.320 9.228 1.00 21.22 O ATOM 0 H ASP A 12 8.029 -8.746 4.631 1.00 72.15 H new ATOM 0 HA ASP A 12 9.146 -7.821 7.050 1.00 63.41 H new ATOM 0 HB2 ASP A 12 7.002 -9.136 6.711 1.00 71.41 H new ATOM 0 HB3 ASP A 12 7.955 -10.545 6.288 1.00 71.41 H new ATOM 177 N ASP A 13 10.950 -10.100 5.518 1.00 24.22 N ATOM 178 CA ASP A 13 12.213 -10.881 5.497 1.00 42.33 C ATOM 179 C ASP A 13 13.437 -10.069 5.979 1.00 62.13 C ATOM 180 O ASP A 13 14.303 -10.592 6.687 1.00 55.05 O ATOM 181 CB ASP A 13 12.463 -11.374 4.051 1.00 15.35 C ATOM 182 CG ASP A 13 13.816 -12.088 3.861 1.00 51.24 C ATOM 183 OD1 ASP A 13 13.957 -13.246 4.291 1.00 30.34 O ATOM 184 OD2 ASP A 13 14.752 -11.485 3.288 1.00 44.43 O ATOM 0 H ASP A 13 10.454 -10.120 4.627 1.00 24.22 H new ATOM 0 HA ASP A 13 12.096 -11.715 6.189 1.00 42.33 H new ATOM 0 HB2 ASP A 13 11.661 -12.054 3.766 1.00 15.35 H new ATOM 0 HB3 ASP A 13 12.414 -10.522 3.373 1.00 15.35 H new ATOM 189 N LYS A 14 13.480 -8.774 5.631 1.00 71.32 N ATOM 190 CA LYS A 14 14.653 -7.912 5.892 1.00 61.54 C ATOM 191 C LYS A 14 14.303 -6.834 6.951 1.00 60.12 C ATOM 192 O LYS A 14 14.971 -5.796 7.056 1.00 12.44 O ATOM 193 CB LYS A 14 15.120 -7.295 4.539 1.00 31.33 C ATOM 194 CG LYS A 14 16.616 -6.897 4.459 1.00 15.35 C ATOM 195 CD LYS A 14 17.577 -8.107 4.630 1.00 44.25 C ATOM 196 CE LYS A 14 17.285 -9.268 3.650 1.00 40.21 C ATOM 197 NZ LYS A 14 17.296 -8.841 2.229 1.00 21.00 N ATOM 0 H LYS A 14 12.711 -8.293 5.164 1.00 71.32 H new ATOM 0 HA LYS A 14 15.477 -8.494 6.306 1.00 61.54 H new ATOM 0 HB2 LYS A 14 14.911 -8.011 3.744 1.00 31.33 H new ATOM 0 HB3 LYS A 14 14.517 -6.410 4.338 1.00 31.33 H new ATOM 0 HG2 LYS A 14 16.808 -6.420 3.498 1.00 15.35 H new ATOM 0 HG3 LYS A 14 16.831 -6.157 5.230 1.00 15.35 H new ATOM 0 HD2 LYS A 14 18.603 -7.769 4.486 1.00 44.25 H new ATOM 0 HD3 LYS A 14 17.504 -8.478 5.652 1.00 44.25 H new ATOM 0 HE2 LYS A 14 18.027 -10.053 3.794 1.00 40.21 H new ATOM 0 HE3 LYS A 14 16.313 -9.701 3.887 1.00 40.21 H new ATOM 0 HZ1 LYS A 14 17.145 -9.668 1.617 1.00 21.00 H new ATOM 0 HZ2 LYS A 14 16.537 -8.148 2.069 1.00 21.00 H new ATOM 0 HZ3 LYS A 14 18.214 -8.407 2.004 1.00 21.00 H new ATOM 211 N GLY A 15 13.282 -7.138 7.779 1.00 42.11 N ATOM 212 CA GLY A 15 12.793 -6.218 8.815 1.00 74.32 C ATOM 213 C GLY A 15 12.029 -5.010 8.263 1.00 33.54 C ATOM 214 O GLY A 15 12.087 -3.919 8.840 1.00 12.13 O ATOM 0 H GLY A 15 12.779 -8.025 7.745 1.00 42.11 H new ATOM 0 HA2 GLY A 15 12.142 -6.766 9.496 1.00 74.32 H new ATOM 0 HA3 GLY A 15 13.641 -5.863 9.401 1.00 74.32 H new ATOM 218 N GLY A 16 11.297 -5.219 7.151 1.00 42.44 N ATOM 219 CA GLY A 16 10.530 -4.149 6.499 1.00 61.11 C ATOM 220 C GLY A 16 11.366 -3.298 5.527 1.00 33.05 C ATOM 221 O GLY A 16 11.396 -2.066 5.644 1.00 42.20 O ATOM 0 H GLY A 16 11.223 -6.124 6.687 1.00 42.44 H new ATOM 0 HA2 GLY A 16 9.695 -4.591 5.956 1.00 61.11 H new ATOM 0 HA3 GLY A 16 10.105 -3.500 7.264 1.00 61.11 H new ATOM 225 N ALA A 17 12.039 -3.962 4.562 1.00 53.54 N ATOM 226 CA ALA A 17 12.836 -3.273 3.510 1.00 3.43 C ATOM 227 C ALA A 17 11.952 -2.896 2.307 1.00 33.23 C ATOM 228 O ALA A 17 11.159 -3.712 1.846 1.00 2.01 O ATOM 229 CB ALA A 17 13.995 -4.168 3.049 1.00 13.12 C ATOM 0 H ALA A 17 12.049 -4.979 4.486 1.00 53.54 H new ATOM 0 HA ALA A 17 13.242 -2.357 3.939 1.00 3.43 H new ATOM 0 HB1 ALA A 17 14.569 -3.652 2.280 1.00 13.12 H new ATOM 0 HB2 ALA A 17 14.642 -4.391 3.897 1.00 13.12 H new ATOM 0 HB3 ALA A 17 13.597 -5.098 2.642 1.00 13.12 H new ATOM 235 N GLN A 18 12.115 -1.663 1.796 1.00 34.42 N ATOM 236 CA GLN A 18 11.256 -1.104 0.724 1.00 63.24 C ATOM 237 C GLN A 18 11.394 -1.903 -0.613 1.00 40.54 C ATOM 238 O GLN A 18 12.501 -2.127 -1.112 1.00 73.54 O ATOM 239 CB GLN A 18 11.588 0.417 0.524 1.00 30.35 C ATOM 240 CG GLN A 18 10.465 1.266 -0.138 1.00 12.14 C ATOM 241 CD GLN A 18 10.250 1.019 -1.642 1.00 14.12 C ATOM 242 OE1 GLN A 18 11.181 0.734 -2.387 1.00 22.15 O ATOM 243 NE2 GLN A 18 9.015 1.108 -2.095 1.00 31.44 N ATOM 0 H GLN A 18 12.844 -1.022 2.111 1.00 34.42 H new ATOM 0 HA GLN A 18 10.215 -1.200 1.032 1.00 63.24 H new ATOM 0 HB2 GLN A 18 11.822 0.851 1.496 1.00 30.35 H new ATOM 0 HB3 GLN A 18 12.488 0.497 -0.086 1.00 30.35 H new ATOM 0 HG2 GLN A 18 9.528 1.068 0.383 1.00 12.14 H new ATOM 0 HG3 GLN A 18 10.695 2.321 0.010 1.00 12.14 H new ATOM 0 HE21 GLN A 18 8.254 1.346 -1.459 1.00 31.44 H new ATOM 0 HE22 GLN A 18 8.820 0.938 -3.082 1.00 31.44 H new ATOM 252 N VAL A 19 10.239 -2.316 -1.167 1.00 55.31 N ATOM 253 CA VAL A 19 10.132 -3.045 -2.451 1.00 41.53 C ATOM 254 C VAL A 19 9.496 -2.125 -3.530 1.00 62.45 C ATOM 255 O VAL A 19 8.397 -1.596 -3.330 1.00 51.22 O ATOM 256 CB VAL A 19 9.255 -4.351 -2.282 1.00 45.43 C ATOM 257 CG1 VAL A 19 9.174 -5.170 -3.597 1.00 72.40 C ATOM 258 CG2 VAL A 19 9.770 -5.223 -1.108 1.00 11.53 C ATOM 0 H VAL A 19 9.333 -2.150 -0.728 1.00 55.31 H new ATOM 0 HA VAL A 19 11.134 -3.336 -2.766 1.00 41.53 H new ATOM 0 HB VAL A 19 8.242 -4.029 -2.042 1.00 45.43 H new ATOM 0 HG11 VAL A 19 8.563 -6.058 -3.436 1.00 72.40 H new ATOM 0 HG12 VAL A 19 8.726 -4.558 -4.380 1.00 72.40 H new ATOM 0 HG13 VAL A 19 10.177 -5.470 -3.901 1.00 72.40 H new ATOM 0 HG21 VAL A 19 9.148 -6.113 -1.016 1.00 11.53 H new ATOM 0 HG22 VAL A 19 10.801 -5.519 -1.300 1.00 11.53 H new ATOM 0 HG23 VAL A 19 9.723 -4.650 -0.182 1.00 11.53 H new ATOM 268 N GLY A 20 10.199 -1.917 -4.657 1.00 21.34 N ATOM 269 CA GLY A 20 9.684 -1.087 -5.761 1.00 32.14 C ATOM 270 C GLY A 20 9.966 0.409 -5.566 1.00 63.41 C ATOM 271 O GLY A 20 11.130 0.820 -5.537 1.00 73.13 O ATOM 0 H GLY A 20 11.124 -2.311 -4.828 1.00 21.34 H new ATOM 0 HA2 GLY A 20 10.134 -1.417 -6.697 1.00 32.14 H new ATOM 0 HA3 GLY A 20 8.609 -1.240 -5.853 1.00 32.14 H new ATOM 275 N ASP A 21 8.897 1.224 -5.424 1.00 34.13 N ATOM 276 CA ASP A 21 9.015 2.699 -5.255 1.00 54.14 C ATOM 277 C ASP A 21 7.894 3.289 -4.353 1.00 24.12 C ATOM 278 O ASP A 21 6.898 2.625 -4.041 1.00 23.43 O ATOM 279 CB ASP A 21 9.037 3.391 -6.643 1.00 21.13 C ATOM 280 CG ASP A 21 7.817 3.055 -7.520 1.00 52.44 C ATOM 281 OD1 ASP A 21 7.856 2.027 -8.243 1.00 31.03 O ATOM 282 OD2 ASP A 21 6.816 3.811 -7.502 1.00 65.01 O ATOM 0 H ASP A 21 7.934 0.887 -5.423 1.00 34.13 H new ATOM 0 HA ASP A 21 9.956 2.896 -4.742 1.00 54.14 H new ATOM 0 HB2 ASP A 21 9.085 4.471 -6.500 1.00 21.13 H new ATOM 0 HB3 ASP A 21 9.945 3.099 -7.171 1.00 21.13 H new ATOM 287 N ILE A 22 8.100 4.550 -3.927 1.00 44.03 N ATOM 288 CA ILE A 22 7.163 5.302 -3.060 1.00 63.22 C ATOM 289 C ILE A 22 6.115 6.042 -3.940 1.00 42.55 C ATOM 290 O ILE A 22 6.467 6.931 -4.720 1.00 33.11 O ATOM 291 CB ILE A 22 7.958 6.323 -2.126 1.00 72.11 C ATOM 292 CG1 ILE A 22 8.783 5.583 -1.006 1.00 4.14 C ATOM 293 CG2 ILE A 22 7.050 7.405 -1.502 1.00 5.32 C ATOM 294 CD1 ILE A 22 10.000 4.794 -1.482 1.00 33.22 C ATOM 0 H ILE A 22 8.932 5.085 -4.177 1.00 44.03 H new ATOM 0 HA ILE A 22 6.637 4.603 -2.410 1.00 63.22 H new ATOM 0 HB ILE A 22 8.660 6.833 -2.786 1.00 72.11 H new ATOM 0 HG12 ILE A 22 9.117 6.324 -0.279 1.00 4.14 H new ATOM 0 HG13 ILE A 22 8.115 4.900 -0.482 1.00 4.14 H new ATOM 0 HG21 ILE A 22 7.650 8.068 -0.878 1.00 5.32 H new ATOM 0 HG22 ILE A 22 6.576 7.984 -2.295 1.00 5.32 H new ATOM 0 HG23 ILE A 22 6.283 6.928 -0.892 1.00 5.32 H new ATOM 0 HD11 ILE A 22 10.489 4.328 -0.626 1.00 33.22 H new ATOM 0 HD12 ILE A 22 9.682 4.022 -2.183 1.00 33.22 H new ATOM 0 HD13 ILE A 22 10.699 5.468 -1.977 1.00 33.22 H new ATOM 306 N VAL A 23 4.827 5.668 -3.808 1.00 31.23 N ATOM 307 CA VAL A 23 3.733 6.188 -4.672 1.00 33.05 C ATOM 308 C VAL A 23 2.855 7.201 -3.894 1.00 12.35 C ATOM 309 O VAL A 23 2.018 6.810 -3.091 1.00 53.20 O ATOM 310 CB VAL A 23 2.831 5.002 -5.197 1.00 23.13 C ATOM 311 CG1 VAL A 23 1.677 5.496 -6.109 1.00 3.45 C ATOM 312 CG2 VAL A 23 3.676 3.916 -5.904 1.00 71.43 C ATOM 0 H VAL A 23 4.510 5.000 -3.105 1.00 31.23 H new ATOM 0 HA VAL A 23 4.189 6.694 -5.523 1.00 33.05 H new ATOM 0 HB VAL A 23 2.371 4.549 -4.319 1.00 23.13 H new ATOM 0 HG11 VAL A 23 1.087 4.643 -6.443 1.00 3.45 H new ATOM 0 HG12 VAL A 23 1.040 6.182 -5.550 1.00 3.45 H new ATOM 0 HG13 VAL A 23 2.093 6.011 -6.975 1.00 3.45 H new ATOM 0 HG21 VAL A 23 3.023 3.116 -6.252 1.00 71.43 H new ATOM 0 HG22 VAL A 23 4.196 4.356 -6.755 1.00 71.43 H new ATOM 0 HG23 VAL A 23 4.406 3.510 -5.204 1.00 71.43 H new ATOM 322 N THR A 24 3.050 8.503 -4.130 1.00 64.03 N ATOM 323 CA THR A 24 2.237 9.558 -3.474 1.00 72.11 C ATOM 324 C THR A 24 1.012 9.953 -4.328 1.00 54.12 C ATOM 325 O THR A 24 1.146 10.299 -5.507 1.00 52.11 O ATOM 326 CB THR A 24 3.087 10.838 -3.175 1.00 23.14 C ATOM 327 OG1 THR A 24 3.722 11.311 -4.378 1.00 42.23 O ATOM 328 CG2 THR A 24 4.156 10.581 -2.095 1.00 20.44 C ATOM 0 H THR A 24 3.761 8.861 -4.768 1.00 64.03 H new ATOM 0 HA THR A 24 1.889 9.133 -2.533 1.00 72.11 H new ATOM 0 HB THR A 24 2.402 11.598 -2.798 1.00 23.14 H new ATOM 0 HG1 THR A 24 3.152 11.110 -5.149 1.00 42.23 H new ATOM 0 HG21 THR A 24 4.722 11.495 -1.919 1.00 20.44 H new ATOM 0 HG22 THR A 24 3.671 10.271 -1.170 1.00 20.44 H new ATOM 0 HG23 THR A 24 4.832 9.795 -2.432 1.00 20.44 H new ATOM 336 N VAL A 25 -0.181 9.869 -3.719 1.00 30.15 N ATOM 337 CA VAL A 25 -1.438 10.426 -4.269 1.00 4.22 C ATOM 338 C VAL A 25 -1.859 11.660 -3.427 1.00 2.43 C ATOM 339 O VAL A 25 -1.542 11.737 -2.236 1.00 53.52 O ATOM 340 CB VAL A 25 -2.594 9.343 -4.297 1.00 70.10 C ATOM 341 CG1 VAL A 25 -2.255 8.191 -5.279 1.00 1.23 C ATOM 342 CG2 VAL A 25 -2.892 8.781 -2.884 1.00 20.02 C ATOM 0 H VAL A 25 -0.307 9.407 -2.818 1.00 30.15 H new ATOM 0 HA VAL A 25 -1.263 10.731 -5.301 1.00 4.22 H new ATOM 0 HB VAL A 25 -3.495 9.845 -4.650 1.00 70.10 H new ATOM 0 HG11 VAL A 25 -3.065 7.462 -5.278 1.00 1.23 H new ATOM 0 HG12 VAL A 25 -2.131 8.594 -6.284 1.00 1.23 H new ATOM 0 HG13 VAL A 25 -1.330 7.706 -4.966 1.00 1.23 H new ATOM 0 HG21 VAL A 25 -3.690 8.042 -2.947 1.00 20.02 H new ATOM 0 HG22 VAL A 25 -1.994 8.312 -2.482 1.00 20.02 H new ATOM 0 HG23 VAL A 25 -3.201 9.594 -2.227 1.00 20.02 H new ATOM 352 N THR A 26 -2.562 12.626 -4.043 1.00 10.43 N ATOM 353 CA THR A 26 -2.936 13.898 -3.367 1.00 64.50 C ATOM 354 C THR A 26 -4.443 14.187 -3.537 1.00 11.41 C ATOM 355 O THR A 26 -4.962 14.175 -4.655 1.00 60.42 O ATOM 356 CB THR A 26 -2.102 15.118 -3.909 1.00 71.02 C ATOM 357 OG1 THR A 26 -0.697 14.814 -3.859 1.00 24.34 O ATOM 358 CG2 THR A 26 -2.358 16.411 -3.094 1.00 31.10 C ATOM 0 H THR A 26 -2.886 12.558 -5.008 1.00 10.43 H new ATOM 0 HA THR A 26 -2.709 13.773 -2.308 1.00 64.50 H new ATOM 0 HB THR A 26 -2.422 15.291 -4.937 1.00 71.02 H new ATOM 0 HG1 THR A 26 -0.344 15.044 -2.974 1.00 24.34 H new ATOM 0 HG21 THR A 26 -1.761 17.225 -3.505 1.00 31.10 H new ATOM 0 HG22 THR A 26 -3.415 16.673 -3.149 1.00 31.10 H new ATOM 0 HG23 THR A 26 -2.079 16.246 -2.053 1.00 31.10 H new ATOM 366 N GLY A 27 -5.127 14.458 -2.411 1.00 24.21 N ATOM 367 CA GLY A 27 -6.566 14.758 -2.407 1.00 14.30 C ATOM 368 C GLY A 27 -6.999 15.454 -1.124 1.00 64.23 C ATOM 369 O GLY A 27 -6.175 16.068 -0.447 1.00 21.42 O ATOM 0 H GLY A 27 -4.699 14.475 -1.485 1.00 24.21 H new ATOM 0 HA2 GLY A 27 -6.807 15.390 -3.262 1.00 14.30 H new ATOM 0 HA3 GLY A 27 -7.130 13.833 -2.526 1.00 14.30 H new ATOM 373 N LYS A 28 -8.297 15.365 -0.785 1.00 41.30 N ATOM 374 CA LYS A 28 -8.876 16.063 0.394 1.00 11.01 C ATOM 375 C LYS A 28 -9.303 15.050 1.470 1.00 54.12 C ATOM 376 O LYS A 28 -9.574 13.895 1.155 1.00 44.31 O ATOM 377 CB LYS A 28 -10.100 16.919 -0.051 1.00 53.33 C ATOM 378 CG LYS A 28 -9.819 17.869 -1.244 1.00 34.03 C ATOM 379 CD LYS A 28 -8.692 18.893 -0.951 1.00 13.11 C ATOM 380 CE LYS A 28 -9.081 19.930 0.116 1.00 21.13 C ATOM 381 NZ LYS A 28 -10.197 20.795 -0.335 1.00 15.35 N ATOM 0 H LYS A 28 -8.976 14.814 -1.311 1.00 41.30 H new ATOM 0 HA LYS A 28 -8.115 16.716 0.822 1.00 11.01 H new ATOM 0 HB2 LYS A 28 -10.917 16.250 -0.320 1.00 53.33 H new ATOM 0 HB3 LYS A 28 -10.440 17.512 0.798 1.00 53.33 H new ATOM 0 HG2 LYS A 28 -9.546 17.276 -2.117 1.00 34.03 H new ATOM 0 HG3 LYS A 28 -10.733 18.406 -1.497 1.00 34.03 H new ATOM 0 HD2 LYS A 28 -7.801 18.359 -0.622 1.00 13.11 H new ATOM 0 HD3 LYS A 28 -8.431 19.411 -1.874 1.00 13.11 H new ATOM 0 HE2 LYS A 28 -9.368 19.417 1.034 1.00 21.13 H new ATOM 0 HE3 LYS A 28 -8.216 20.548 0.354 1.00 21.13 H new ATOM 0 HZ1 LYS A 28 -10.317 21.583 0.333 1.00 15.35 H new ATOM 0 HZ2 LYS A 28 -9.984 21.172 -1.280 1.00 15.35 H new ATOM 0 HZ3 LYS A 28 -11.074 20.238 -0.375 1.00 15.35 H new ATOM 395 N THR A 29 -9.349 15.490 2.743 1.00 52.15 N ATOM 396 CA THR A 29 -9.912 14.678 3.862 1.00 1.53 C ATOM 397 C THR A 29 -11.402 14.298 3.629 1.00 51.42 C ATOM 398 O THR A 29 -11.862 13.242 4.074 1.00 62.11 O ATOM 399 CB THR A 29 -9.777 15.422 5.236 1.00 31.54 C ATOM 400 OG1 THR A 29 -10.344 16.747 5.137 1.00 41.43 O ATOM 401 CG2 THR A 29 -8.319 15.518 5.708 1.00 32.31 C ATOM 0 H THR A 29 -9.004 16.405 3.032 1.00 52.15 H new ATOM 0 HA THR A 29 -9.325 13.760 3.890 1.00 1.53 H new ATOM 0 HB THR A 29 -10.323 14.836 5.975 1.00 31.54 H new ATOM 0 HG1 THR A 29 -10.258 17.205 5.999 1.00 41.43 H new ATOM 0 HG21 THR A 29 -8.280 16.041 6.663 1.00 32.31 H new ATOM 0 HG22 THR A 29 -7.908 14.515 5.826 1.00 32.31 H new ATOM 0 HG23 THR A 29 -7.733 16.065 4.970 1.00 32.31 H new ATOM 409 N ASP A 30 -12.139 15.184 2.934 1.00 15.04 N ATOM 410 CA ASP A 30 -13.520 14.926 2.469 1.00 72.20 C ATOM 411 C ASP A 30 -13.544 13.880 1.315 1.00 20.43 C ATOM 412 O ASP A 30 -14.483 13.083 1.197 1.00 24.42 O ATOM 413 CB ASP A 30 -14.155 16.270 2.012 1.00 11.03 C ATOM 414 CG ASP A 30 -15.583 16.135 1.461 1.00 44.14 C ATOM 415 OD1 ASP A 30 -16.535 16.044 2.263 1.00 13.12 O ATOM 416 OD2 ASP A 30 -15.760 16.115 0.222 1.00 21.20 O ATOM 0 H ASP A 30 -11.792 16.108 2.676 1.00 15.04 H new ATOM 0 HA ASP A 30 -14.101 14.507 3.291 1.00 72.20 H new ATOM 0 HB2 ASP A 30 -14.167 16.959 2.856 1.00 11.03 H new ATOM 0 HB3 ASP A 30 -13.522 16.716 1.245 1.00 11.03 H new ATOM 421 N ASP A 31 -12.481 13.889 0.498 1.00 42.11 N ATOM 422 CA ASP A 31 -12.361 13.060 -0.717 1.00 44.25 C ATOM 423 C ASP A 31 -11.700 11.682 -0.420 1.00 63.14 C ATOM 424 O ASP A 31 -10.930 11.535 0.541 1.00 35.31 O ATOM 425 CB ASP A 31 -11.531 13.855 -1.760 1.00 2.12 C ATOM 426 CG ASP A 31 -11.342 13.124 -3.092 1.00 61.52 C ATOM 427 OD1 ASP A 31 -12.324 13.017 -3.862 1.00 22.24 O ATOM 428 OD2 ASP A 31 -10.224 12.639 -3.373 1.00 61.31 O ATOM 0 H ASP A 31 -11.666 14.480 0.662 1.00 42.11 H new ATOM 0 HA ASP A 31 -13.357 12.846 -1.105 1.00 44.25 H new ATOM 0 HB2 ASP A 31 -12.021 14.810 -1.948 1.00 2.12 H new ATOM 0 HB3 ASP A 31 -10.551 14.077 -1.337 1.00 2.12 H new ATOM 433 N SER A 32 -12.025 10.671 -1.251 1.00 44.00 N ATOM 434 CA SER A 32 -11.375 9.337 -1.207 1.00 35.54 C ATOM 435 C SER A 32 -10.902 8.916 -2.625 1.00 24.00 C ATOM 436 O SER A 32 -11.612 9.113 -3.614 1.00 13.35 O ATOM 437 CB SER A 32 -12.354 8.277 -0.639 1.00 12.21 C ATOM 438 OG SER A 32 -13.532 8.161 -1.432 1.00 11.44 O ATOM 0 H SER A 32 -12.743 10.752 -1.971 1.00 44.00 H new ATOM 0 HA SER A 32 -10.506 9.401 -0.552 1.00 35.54 H new ATOM 0 HB2 SER A 32 -11.853 7.310 -0.590 1.00 12.21 H new ATOM 0 HB3 SER A 32 -12.628 8.546 0.381 1.00 12.21 H new ATOM 0 HG SER A 32 -14.123 7.483 -1.043 1.00 11.44 H new ATOM 444 N THR A 33 -9.708 8.312 -2.694 1.00 51.42 N ATOM 445 CA THR A 33 -9.098 7.788 -3.956 1.00 1.45 C ATOM 446 C THR A 33 -8.916 6.253 -3.893 1.00 13.31 C ATOM 447 O THR A 33 -8.958 5.659 -2.820 1.00 33.41 O ATOM 448 CB THR A 33 -7.715 8.470 -4.269 1.00 13.22 C ATOM 449 OG1 THR A 33 -7.160 7.954 -5.501 1.00 4.42 O ATOM 450 CG2 THR A 33 -6.694 8.279 -3.138 1.00 55.24 C ATOM 0 H THR A 33 -9.120 8.164 -1.874 1.00 51.42 H new ATOM 0 HA THR A 33 -9.790 8.033 -4.761 1.00 1.45 H new ATOM 0 HB THR A 33 -7.913 9.537 -4.367 1.00 13.22 H new ATOM 0 HG1 THR A 33 -6.301 8.390 -5.681 1.00 4.42 H new ATOM 0 HG21 THR A 33 -5.758 8.769 -3.406 1.00 55.24 H new ATOM 0 HG22 THR A 33 -7.083 8.717 -2.219 1.00 55.24 H new ATOM 0 HG23 THR A 33 -6.515 7.215 -2.985 1.00 55.24 H new ATOM 458 N THR A 34 -8.741 5.624 -5.066 1.00 14.21 N ATOM 459 CA THR A 34 -8.521 4.158 -5.197 1.00 54.45 C ATOM 460 C THR A 34 -7.053 3.846 -5.574 1.00 32.22 C ATOM 461 O THR A 34 -6.388 4.657 -6.230 1.00 21.35 O ATOM 462 CB THR A 34 -9.467 3.561 -6.292 1.00 62.42 C ATOM 463 OG1 THR A 34 -9.159 4.135 -7.574 1.00 55.55 O ATOM 464 CG2 THR A 34 -10.952 3.819 -5.976 1.00 1.21 C ATOM 0 H THR A 34 -8.747 6.113 -5.961 1.00 14.21 H new ATOM 0 HA THR A 34 -8.743 3.704 -4.231 1.00 54.45 H new ATOM 0 HB THR A 34 -9.301 2.484 -6.307 1.00 62.42 H new ATOM 0 HG1 THR A 34 -9.754 3.755 -8.254 1.00 55.55 H new ATOM 0 HG21 THR A 34 -11.572 3.388 -6.762 1.00 1.21 H new ATOM 0 HG22 THR A 34 -11.206 3.360 -5.021 1.00 1.21 H new ATOM 0 HG23 THR A 34 -11.131 4.893 -5.921 1.00 1.21 H new ATOM 472 N TYR A 35 -6.546 2.677 -5.134 1.00 22.25 N ATOM 473 CA TYR A 35 -5.206 2.175 -5.532 1.00 71.21 C ATOM 474 C TYR A 35 -5.230 0.644 -5.733 1.00 21.15 C ATOM 475 O TYR A 35 -5.621 -0.093 -4.835 1.00 2.23 O ATOM 476 CB TYR A 35 -4.131 2.545 -4.468 1.00 71.21 C ATOM 477 CG TYR A 35 -2.699 2.120 -4.861 1.00 74.43 C ATOM 478 CD1 TYR A 35 -1.922 2.919 -5.702 1.00 13.42 C ATOM 479 CD2 TYR A 35 -2.135 0.916 -4.409 1.00 55.51 C ATOM 480 CE1 TYR A 35 -0.652 2.539 -6.082 1.00 13.34 C ATOM 481 CE2 TYR A 35 -0.868 0.534 -4.794 1.00 2.35 C ATOM 482 CZ TYR A 35 -0.126 1.351 -5.625 1.00 2.13 C ATOM 483 OH TYR A 35 1.146 0.974 -6.008 1.00 2.31 O ATOM 0 H TYR A 35 -7.045 2.055 -4.498 1.00 22.25 H new ATOM 0 HA TYR A 35 -4.945 2.653 -6.476 1.00 71.21 H new ATOM 0 HB2 TYR A 35 -4.149 3.623 -4.305 1.00 71.21 H new ATOM 0 HB3 TYR A 35 -4.393 2.075 -3.520 1.00 71.21 H new ATOM 0 HD1 TYR A 35 -2.324 3.854 -6.063 1.00 13.42 H new ATOM 0 HD2 TYR A 35 -2.704 0.278 -3.748 1.00 55.51 H new ATOM 0 HE1 TYR A 35 -0.071 3.172 -6.737 1.00 13.34 H new ATOM 0 HE2 TYR A 35 -0.456 -0.402 -4.447 1.00 2.35 H new ATOM 0 HH TYR A 35 1.432 1.518 -6.771 1.00 2.31 H new ATOM 493 N THR A 36 -4.780 0.174 -6.909 1.00 1.33 N ATOM 494 CA THR A 36 -4.614 -1.274 -7.185 1.00 52.21 C ATOM 495 C THR A 36 -3.208 -1.744 -6.739 1.00 64.01 C ATOM 496 O THR A 36 -2.193 -1.286 -7.283 1.00 53.32 O ATOM 497 CB THR A 36 -4.831 -1.610 -8.701 1.00 0.25 C ATOM 498 OG1 THR A 36 -6.137 -1.177 -9.113 1.00 71.43 O ATOM 499 CG2 THR A 36 -4.690 -3.120 -8.996 1.00 51.23 C ATOM 0 H THR A 36 -4.522 0.775 -7.691 1.00 1.33 H new ATOM 0 HA THR A 36 -5.376 -1.805 -6.614 1.00 52.21 H new ATOM 0 HB THR A 36 -4.056 -1.084 -9.259 1.00 0.25 H new ATOM 0 HG1 THR A 36 -6.267 -1.387 -10.061 1.00 71.43 H new ATOM 0 HG21 THR A 36 -4.849 -3.299 -10.059 1.00 51.23 H new ATOM 0 HG22 THR A 36 -3.690 -3.453 -8.718 1.00 51.23 H new ATOM 0 HG23 THR A 36 -5.431 -3.674 -8.420 1.00 51.23 H new ATOM 507 N VAL A 37 -3.166 -2.652 -5.746 1.00 42.20 N ATOM 508 CA VAL A 37 -1.911 -3.199 -5.191 1.00 74.22 C ATOM 509 C VAL A 37 -1.303 -4.246 -6.156 1.00 73.52 C ATOM 510 O VAL A 37 -1.970 -5.210 -6.540 1.00 4.25 O ATOM 511 CB VAL A 37 -2.161 -3.847 -3.773 1.00 2.20 C ATOM 512 CG1 VAL A 37 -0.865 -4.441 -3.166 1.00 45.41 C ATOM 513 CG2 VAL A 37 -2.804 -2.823 -2.807 1.00 34.21 C ATOM 0 H VAL A 37 -4.004 -3.029 -5.304 1.00 42.20 H new ATOM 0 HA VAL A 37 -1.205 -2.377 -5.075 1.00 74.22 H new ATOM 0 HB VAL A 37 -2.857 -4.674 -3.915 1.00 2.20 H new ATOM 0 HG11 VAL A 37 -1.086 -4.875 -2.191 1.00 45.41 H new ATOM 0 HG12 VAL A 37 -0.474 -5.214 -3.828 1.00 45.41 H new ATOM 0 HG13 VAL A 37 -0.122 -3.652 -3.052 1.00 45.41 H new ATOM 0 HG21 VAL A 37 -2.967 -3.291 -1.836 1.00 34.21 H new ATOM 0 HG22 VAL A 37 -2.140 -1.967 -2.690 1.00 34.21 H new ATOM 0 HG23 VAL A 37 -3.758 -2.489 -3.214 1.00 34.21 H new ATOM 523 N THR A 38 -0.032 -4.034 -6.535 1.00 43.31 N ATOM 524 CA THR A 38 0.701 -4.891 -7.493 1.00 14.33 C ATOM 525 C THR A 38 1.771 -5.719 -6.747 1.00 44.32 C ATOM 526 O THR A 38 2.771 -5.167 -6.278 1.00 3.02 O ATOM 527 CB THR A 38 1.385 -4.023 -8.608 1.00 35.35 C ATOM 528 OG1 THR A 38 0.396 -3.212 -9.263 1.00 15.33 O ATOM 529 CG2 THR A 38 2.116 -4.891 -9.661 1.00 54.33 C ATOM 0 H THR A 38 0.525 -3.255 -6.183 1.00 43.31 H new ATOM 0 HA THR A 38 -0.013 -5.564 -7.967 1.00 14.33 H new ATOM 0 HB THR A 38 2.131 -3.395 -8.121 1.00 35.35 H new ATOM 0 HG1 THR A 38 0.825 -2.670 -9.957 1.00 15.33 H new ATOM 0 HG21 THR A 38 2.573 -4.245 -10.411 1.00 54.33 H new ATOM 0 HG22 THR A 38 2.890 -5.482 -9.171 1.00 54.33 H new ATOM 0 HG23 THR A 38 1.401 -5.557 -10.143 1.00 54.33 H new ATOM 537 N ILE A 39 1.535 -7.038 -6.621 1.00 3.44 N ATOM 538 CA ILE A 39 2.471 -7.972 -5.943 1.00 44.11 C ATOM 539 C ILE A 39 3.449 -8.606 -6.977 1.00 62.30 C ATOM 540 O ILE A 39 3.012 -9.396 -7.825 1.00 1.45 O ATOM 541 CB ILE A 39 1.693 -9.109 -5.172 1.00 14.51 C ATOM 542 CG1 ILE A 39 0.591 -8.496 -4.245 1.00 32.31 C ATOM 543 CG2 ILE A 39 2.668 -10.012 -4.358 1.00 35.42 C ATOM 544 CD1 ILE A 39 1.106 -7.509 -3.210 1.00 13.43 C ATOM 0 H ILE A 39 0.696 -7.491 -6.983 1.00 3.44 H new ATOM 0 HA ILE A 39 3.042 -7.397 -5.214 1.00 44.11 H new ATOM 0 HB ILE A 39 1.202 -9.739 -5.914 1.00 14.51 H new ATOM 0 HG12 ILE A 39 -0.150 -7.995 -4.868 1.00 32.31 H new ATOM 0 HG13 ILE A 39 0.077 -9.307 -3.729 1.00 32.31 H new ATOM 0 HG21 ILE A 39 2.101 -10.785 -3.839 1.00 35.42 H new ATOM 0 HG22 ILE A 39 3.382 -10.480 -5.036 1.00 35.42 H new ATOM 0 HG23 ILE A 39 3.204 -9.404 -3.629 1.00 35.42 H new ATOM 0 HD11 ILE A 39 0.272 -7.137 -2.615 1.00 13.43 H new ATOM 0 HD12 ILE A 39 1.824 -8.007 -2.558 1.00 13.43 H new ATOM 0 HD13 ILE A 39 1.592 -6.674 -3.714 1.00 13.43 H new ATOM 556 N PRO A 40 4.780 -8.262 -6.941 1.00 51.50 N ATOM 557 CA PRO A 40 5.775 -8.841 -7.885 1.00 13.12 C ATOM 558 C PRO A 40 6.063 -10.343 -7.605 1.00 1.54 C ATOM 559 O PRO A 40 6.019 -10.791 -6.451 1.00 54.14 O ATOM 560 CB PRO A 40 7.030 -7.950 -7.665 1.00 64.05 C ATOM 561 CG PRO A 40 6.899 -7.451 -6.253 1.00 4.14 C ATOM 562 CD PRO A 40 5.409 -7.284 -6.007 1.00 51.00 C ATOM 0 HA PRO A 40 5.425 -8.837 -8.917 1.00 13.12 H new ATOM 0 HB2 PRO A 40 7.949 -8.520 -7.800 1.00 64.05 H new ATOM 0 HB3 PRO A 40 7.059 -7.124 -8.376 1.00 64.05 H new ATOM 0 HG2 PRO A 40 7.335 -8.158 -5.547 1.00 4.14 H new ATOM 0 HG3 PRO A 40 7.425 -6.505 -6.123 1.00 4.14 H new ATOM 0 HD2 PRO A 40 5.149 -7.497 -4.970 1.00 51.00 H new ATOM 0 HD3 PRO A 40 5.081 -6.265 -6.215 1.00 51.00 H new ATOM 570 N ASP A 41 6.336 -11.114 -8.681 1.00 43.10 N ATOM 571 CA ASP A 41 6.646 -12.558 -8.580 1.00 22.52 C ATOM 572 C ASP A 41 7.953 -12.813 -7.785 1.00 30.31 C ATOM 573 O ASP A 41 8.973 -12.148 -7.996 1.00 22.21 O ATOM 574 CB ASP A 41 6.713 -13.204 -9.982 1.00 34.42 C ATOM 575 CG ASP A 41 5.327 -13.294 -10.629 1.00 73.32 C ATOM 576 OD1 ASP A 41 4.626 -14.304 -10.401 1.00 63.44 O ATOM 577 OD2 ASP A 41 4.912 -12.337 -11.314 1.00 15.31 O ATOM 0 H ASP A 41 6.348 -10.757 -9.636 1.00 43.10 H new ATOM 0 HA ASP A 41 5.835 -13.029 -8.025 1.00 22.52 H new ATOM 0 HB2 ASP A 41 7.376 -12.620 -10.621 1.00 34.42 H new ATOM 0 HB3 ASP A 41 7.144 -14.202 -9.903 1.00 34.42 H new ATOM 582 N GLY A 42 7.886 -13.800 -6.876 1.00 55.01 N ATOM 583 CA GLY A 42 8.922 -14.025 -5.864 1.00 23.02 C ATOM 584 C GLY A 42 8.495 -13.505 -4.490 1.00 2.14 C ATOM 585 O GLY A 42 8.993 -13.972 -3.465 1.00 0.51 O ATOM 0 H GLY A 42 7.111 -14.462 -6.825 1.00 55.01 H new ATOM 0 HA2 GLY A 42 9.140 -15.091 -5.798 1.00 23.02 H new ATOM 0 HA3 GLY A 42 9.843 -13.529 -6.170 1.00 23.02 H new ATOM 589 N TYR A 43 7.569 -12.522 -4.468 1.00 60.13 N ATOM 590 CA TYR A 43 7.031 -11.942 -3.217 1.00 41.21 C ATOM 591 C TYR A 43 5.604 -12.468 -2.918 1.00 11.34 C ATOM 592 O TYR A 43 4.800 -12.689 -3.830 1.00 5.51 O ATOM 593 CB TYR A 43 7.042 -10.394 -3.288 1.00 65.43 C ATOM 594 CG TYR A 43 8.452 -9.772 -3.371 1.00 44.41 C ATOM 595 CD1 TYR A 43 9.176 -9.755 -4.573 1.00 3.44 C ATOM 596 CD2 TYR A 43 9.066 -9.212 -2.245 1.00 64.35 C ATOM 597 CE1 TYR A 43 10.442 -9.201 -4.644 1.00 22.20 C ATOM 598 CE2 TYR A 43 10.330 -8.659 -2.316 1.00 11.11 C ATOM 599 CZ TYR A 43 11.014 -8.657 -3.513 1.00 71.31 C ATOM 600 OH TYR A 43 12.278 -8.112 -3.574 1.00 22.12 O ATOM 0 H TYR A 43 7.174 -12.109 -5.313 1.00 60.13 H new ATOM 0 HA TYR A 43 7.677 -12.256 -2.397 1.00 41.21 H new ATOM 0 HB2 TYR A 43 6.466 -10.078 -4.158 1.00 65.43 H new ATOM 0 HB3 TYR A 43 6.534 -9.998 -2.409 1.00 65.43 H new ATOM 0 HD1 TYR A 43 8.736 -10.183 -5.461 1.00 3.44 H new ATOM 0 HD2 TYR A 43 8.541 -9.212 -1.301 1.00 64.35 H new ATOM 0 HE1 TYR A 43 10.980 -9.195 -5.581 1.00 22.20 H new ATOM 0 HE2 TYR A 43 10.782 -8.229 -1.435 1.00 11.11 H new ATOM 0 HH TYR A 43 12.531 -7.772 -2.690 1.00 22.12 H new ATOM 610 N GLU A 44 5.321 -12.652 -1.615 1.00 45.11 N ATOM 611 CA GLU A 44 4.057 -13.227 -1.098 1.00 20.23 C ATOM 612 C GLU A 44 3.251 -12.147 -0.341 1.00 4.25 C ATOM 613 O GLU A 44 3.757 -11.578 0.629 1.00 71.33 O ATOM 614 CB GLU A 44 4.394 -14.407 -0.140 1.00 23.21 C ATOM 615 CG GLU A 44 5.203 -15.564 -0.775 1.00 61.21 C ATOM 616 CD GLU A 44 4.391 -16.367 -1.805 1.00 21.22 C ATOM 617 OE1 GLU A 44 3.657 -17.295 -1.397 1.00 70.12 O ATOM 618 OE2 GLU A 44 4.469 -16.078 -3.014 1.00 63.22 O ATOM 0 H GLU A 44 5.976 -12.401 -0.874 1.00 45.11 H new ATOM 0 HA GLU A 44 3.454 -13.589 -1.930 1.00 20.23 H new ATOM 0 HB2 GLU A 44 4.956 -14.016 0.708 1.00 23.21 H new ATOM 0 HB3 GLU A 44 3.462 -14.811 0.254 1.00 23.21 H new ATOM 0 HG2 GLU A 44 6.092 -15.157 -1.258 1.00 61.21 H new ATOM 0 HG3 GLU A 44 5.547 -16.235 0.012 1.00 61.21 H new ATOM 625 N TYR A 45 2.007 -11.859 -0.782 1.00 61.35 N ATOM 626 CA TYR A 45 1.144 -10.852 -0.114 1.00 53.33 C ATOM 627 C TYR A 45 0.716 -11.311 1.310 1.00 3.01 C ATOM 628 O TYR A 45 -0.041 -12.272 1.454 1.00 3.12 O ATOM 629 CB TYR A 45 -0.108 -10.543 -0.976 1.00 3.02 C ATOM 630 CG TYR A 45 -1.059 -9.521 -0.324 1.00 74.43 C ATOM 631 CD1 TYR A 45 -0.667 -8.189 -0.164 1.00 44.44 C ATOM 632 CD2 TYR A 45 -2.318 -9.891 0.174 1.00 1.21 C ATOM 633 CE1 TYR A 45 -1.486 -7.274 0.450 1.00 51.44 C ATOM 634 CE2 TYR A 45 -3.135 -8.972 0.800 1.00 4.40 C ATOM 635 CZ TYR A 45 -2.717 -7.667 0.933 1.00 22.12 C ATOM 636 OH TYR A 45 -3.531 -6.752 1.561 1.00 3.23 O ATOM 0 H TYR A 45 1.577 -12.305 -1.592 1.00 61.35 H new ATOM 0 HA TYR A 45 1.734 -9.941 -0.008 1.00 53.33 H new ATOM 0 HB2 TYR A 45 0.212 -10.164 -1.946 1.00 3.02 H new ATOM 0 HB3 TYR A 45 -0.652 -11.470 -1.160 1.00 3.02 H new ATOM 0 HD1 TYR A 45 0.299 -7.873 -0.530 1.00 44.44 H new ATOM 0 HD2 TYR A 45 -2.653 -10.912 0.065 1.00 1.21 H new ATOM 0 HE1 TYR A 45 -1.167 -6.248 0.555 1.00 51.44 H new ATOM 0 HE2 TYR A 45 -4.098 -9.275 1.184 1.00 4.40 H new ATOM 0 HH TYR A 45 -3.839 -7.120 2.416 1.00 3.23 H new ATOM 646 N VAL A 46 1.184 -10.595 2.348 1.00 73.41 N ATOM 647 CA VAL A 46 0.909 -10.932 3.767 1.00 52.12 C ATOM 648 C VAL A 46 -0.284 -10.100 4.304 1.00 3.44 C ATOM 649 O VAL A 46 -1.228 -10.642 4.895 1.00 71.34 O ATOM 650 CB VAL A 46 2.187 -10.685 4.660 1.00 2.20 C ATOM 651 CG1 VAL A 46 1.944 -11.050 6.145 1.00 53.42 C ATOM 652 CG2 VAL A 46 3.404 -11.452 4.093 1.00 22.02 C ATOM 0 H VAL A 46 1.765 -9.764 2.232 1.00 73.41 H new ATOM 0 HA VAL A 46 0.650 -11.990 3.818 1.00 52.12 H new ATOM 0 HB VAL A 46 2.403 -9.617 4.628 1.00 2.20 H new ATOM 0 HG11 VAL A 46 2.852 -10.863 6.719 1.00 53.42 H new ATOM 0 HG12 VAL A 46 1.132 -10.440 6.541 1.00 53.42 H new ATOM 0 HG13 VAL A 46 1.677 -12.104 6.222 1.00 53.42 H new ATOM 0 HG21 VAL A 46 4.275 -11.269 4.722 1.00 22.02 H new ATOM 0 HG22 VAL A 46 3.186 -12.520 4.077 1.00 22.02 H new ATOM 0 HG23 VAL A 46 3.610 -11.109 3.079 1.00 22.02 H new ATOM 662 N GLY A 47 -0.220 -8.780 4.083 1.00 64.41 N ATOM 663 CA GLY A 47 -1.252 -7.846 4.564 1.00 74.40 C ATOM 664 C GLY A 47 -0.954 -6.402 4.171 1.00 35.01 C ATOM 665 O GLY A 47 0.106 -6.120 3.617 1.00 53.43 O ATOM 0 H GLY A 47 0.540 -8.331 3.571 1.00 64.41 H new ATOM 0 HA2 GLY A 47 -2.221 -8.138 4.159 1.00 74.40 H new ATOM 0 HA3 GLY A 47 -1.326 -7.917 5.649 1.00 74.40 H new ATOM 669 N THR A 48 -1.890 -5.481 4.456 1.00 45.14 N ATOM 670 CA THR A 48 -1.733 -4.039 4.119 1.00 35.53 C ATOM 671 C THR A 48 -2.357 -3.141 5.216 1.00 22.53 C ATOM 672 O THR A 48 -3.417 -3.457 5.760 1.00 72.52 O ATOM 673 CB THR A 48 -2.370 -3.703 2.722 1.00 24.54 C ATOM 674 OG1 THR A 48 -1.699 -4.432 1.687 1.00 31.33 O ATOM 675 CG2 THR A 48 -2.302 -2.213 2.371 1.00 3.52 C ATOM 0 H THR A 48 -2.770 -5.702 4.921 1.00 45.14 H new ATOM 0 HA THR A 48 -0.664 -3.834 4.066 1.00 35.53 H new ATOM 0 HB THR A 48 -3.419 -3.989 2.794 1.00 24.54 H new ATOM 0 HG1 THR A 48 -2.170 -5.276 1.523 1.00 31.33 H new ATOM 0 HG21 THR A 48 -2.758 -2.048 1.395 1.00 3.52 H new ATOM 0 HG22 THR A 48 -2.839 -1.637 3.125 1.00 3.52 H new ATOM 0 HG23 THR A 48 -1.260 -1.893 2.343 1.00 3.52 H new ATOM 683 N ASP A 49 -1.689 -2.004 5.499 1.00 34.04 N ATOM 684 CA ASP A 49 -2.078 -1.041 6.556 1.00 54.22 C ATOM 685 C ASP A 49 -2.551 0.288 5.926 1.00 54.42 C ATOM 686 O ASP A 49 -2.179 0.605 4.796 1.00 74.33 O ATOM 687 CB ASP A 49 -0.879 -0.760 7.499 1.00 33.32 C ATOM 688 CG ASP A 49 -0.219 -2.031 8.049 1.00 34.10 C ATOM 689 OD1 ASP A 49 -0.941 -2.934 8.523 1.00 61.14 O ATOM 690 OD2 ASP A 49 1.023 -2.133 8.010 1.00 33.44 O ATOM 0 H ASP A 49 -0.850 -1.722 4.992 1.00 34.04 H new ATOM 0 HA ASP A 49 -2.894 -1.479 7.130 1.00 54.22 H new ATOM 0 HB2 ASP A 49 -0.132 -0.177 6.960 1.00 33.32 H new ATOM 0 HB3 ASP A 49 -1.220 -0.147 8.334 1.00 33.32 H new ATOM 695 N GLY A 50 -3.398 1.037 6.652 1.00 72.03 N ATOM 696 CA GLY A 50 -3.802 2.397 6.241 1.00 32.54 C ATOM 697 C GLY A 50 -5.266 2.484 5.813 1.00 41.41 C ATOM 698 O GLY A 50 -6.140 2.779 6.638 1.00 23.45 O ATOM 0 H GLY A 50 -3.818 0.725 7.528 1.00 72.03 H new ATOM 0 HA2 GLY A 50 -3.630 3.086 7.068 1.00 32.54 H new ATOM 0 HA3 GLY A 50 -3.169 2.724 5.416 1.00 32.54 H new ATOM 702 N GLY A 51 -5.537 2.185 4.531 1.00 3.31 N ATOM 703 CA GLY A 51 -6.886 2.335 3.952 1.00 54.15 C ATOM 704 C GLY A 51 -7.770 1.083 4.070 1.00 30.41 C ATOM 705 O GLY A 51 -7.514 0.190 4.895 1.00 71.44 O ATOM 0 H GLY A 51 -4.839 1.837 3.874 1.00 3.31 H new ATOM 0 HA2 GLY A 51 -7.389 3.168 4.444 1.00 54.15 H new ATOM 0 HA3 GLY A 51 -6.789 2.599 2.899 1.00 54.15 H new ATOM 709 N VAL A 52 -8.819 1.021 3.228 1.00 63.25 N ATOM 710 CA VAL A 52 -9.776 -0.109 3.190 1.00 3.21 C ATOM 711 C VAL A 52 -9.313 -1.137 2.133 1.00 24.12 C ATOM 712 O VAL A 52 -9.438 -0.894 0.935 1.00 51.40 O ATOM 713 CB VAL A 52 -11.232 0.398 2.855 1.00 43.11 C ATOM 714 CG1 VAL A 52 -12.249 -0.768 2.739 1.00 4.15 C ATOM 715 CG2 VAL A 52 -11.704 1.449 3.889 1.00 31.14 C ATOM 0 H VAL A 52 -9.030 1.754 2.551 1.00 63.25 H new ATOM 0 HA VAL A 52 -9.802 -0.582 4.172 1.00 3.21 H new ATOM 0 HB VAL A 52 -11.186 0.876 1.877 1.00 43.11 H new ATOM 0 HG11 VAL A 52 -13.236 -0.368 2.508 1.00 4.15 H new ATOM 0 HG12 VAL A 52 -11.937 -1.446 1.944 1.00 4.15 H new ATOM 0 HG13 VAL A 52 -12.290 -1.311 3.683 1.00 4.15 H new ATOM 0 HG21 VAL A 52 -12.710 1.782 3.635 1.00 31.14 H new ATOM 0 HG22 VAL A 52 -11.709 1.004 4.884 1.00 31.14 H new ATOM 0 HG23 VAL A 52 -11.025 2.302 3.877 1.00 31.14 H new ATOM 725 N VAL A 53 -8.781 -2.280 2.582 1.00 14.34 N ATOM 726 CA VAL A 53 -8.180 -3.293 1.679 1.00 45.40 C ATOM 727 C VAL A 53 -9.232 -4.334 1.212 1.00 73.45 C ATOM 728 O VAL A 53 -10.107 -4.739 1.985 1.00 53.53 O ATOM 729 CB VAL A 53 -6.972 -4.019 2.378 1.00 50.12 C ATOM 730 CG1 VAL A 53 -6.237 -4.977 1.408 1.00 55.21 C ATOM 731 CG2 VAL A 53 -5.995 -2.988 2.980 1.00 25.51 C ATOM 0 H VAL A 53 -8.750 -2.536 3.569 1.00 14.34 H new ATOM 0 HA VAL A 53 -7.811 -2.766 0.799 1.00 45.40 H new ATOM 0 HB VAL A 53 -7.376 -4.627 3.187 1.00 50.12 H new ATOM 0 HG11 VAL A 53 -5.410 -5.458 1.929 1.00 55.21 H new ATOM 0 HG12 VAL A 53 -6.932 -5.737 1.051 1.00 55.21 H new ATOM 0 HG13 VAL A 53 -5.851 -4.411 0.560 1.00 55.21 H new ATOM 0 HG21 VAL A 53 -5.166 -3.509 3.459 1.00 25.51 H new ATOM 0 HG22 VAL A 53 -5.611 -2.345 2.188 1.00 25.51 H new ATOM 0 HG23 VAL A 53 -6.517 -2.380 3.719 1.00 25.51 H new ATOM 741 N SER A 54 -9.108 -4.770 -0.058 1.00 43.44 N ATOM 742 CA SER A 54 -9.986 -5.795 -0.678 1.00 52.42 C ATOM 743 C SER A 54 -9.777 -7.190 -0.047 1.00 53.15 C ATOM 744 O SER A 54 -8.747 -7.446 0.585 1.00 35.13 O ATOM 745 CB SER A 54 -9.710 -5.869 -2.205 1.00 32.13 C ATOM 746 OG SER A 54 -10.463 -6.895 -2.845 1.00 23.11 O ATOM 0 H SER A 54 -8.390 -4.420 -0.692 1.00 43.44 H new ATOM 0 HA SER A 54 -11.019 -5.498 -0.498 1.00 52.42 H new ATOM 0 HB2 SER A 54 -9.949 -4.908 -2.661 1.00 32.13 H new ATOM 0 HB3 SER A 54 -8.647 -6.045 -2.371 1.00 32.13 H new ATOM 0 HG SER A 54 -10.258 -6.902 -3.803 1.00 23.11 H new ATOM 752 N SER A 55 -10.757 -8.089 -0.261 1.00 73.15 N ATOM 753 CA SER A 55 -10.706 -9.504 0.200 1.00 32.11 C ATOM 754 C SER A 55 -9.441 -10.236 -0.312 1.00 13.25 C ATOM 755 O SER A 55 -8.812 -11.004 0.420 1.00 54.52 O ATOM 756 CB SER A 55 -11.972 -10.253 -0.281 1.00 32.12 C ATOM 757 OG SER A 55 -12.099 -10.201 -1.695 1.00 45.40 O ATOM 0 H SER A 55 -11.616 -7.859 -0.762 1.00 73.15 H new ATOM 0 HA SER A 55 -10.665 -9.497 1.289 1.00 32.11 H new ATOM 0 HB2 SER A 55 -11.927 -11.293 0.044 1.00 32.12 H new ATOM 0 HB3 SER A 55 -12.855 -9.812 0.182 1.00 32.12 H new ATOM 0 HG SER A 55 -11.415 -10.769 -2.106 1.00 45.40 H new ATOM 763 N ASP A 56 -9.066 -9.955 -1.573 1.00 32.32 N ATOM 764 CA ASP A 56 -7.877 -10.553 -2.231 1.00 10.25 C ATOM 765 C ASP A 56 -6.624 -9.641 -2.099 1.00 62.45 C ATOM 766 O ASP A 56 -5.534 -10.011 -2.543 1.00 51.33 O ATOM 767 CB ASP A 56 -8.199 -10.818 -3.722 1.00 64.44 C ATOM 768 CG ASP A 56 -9.419 -11.732 -3.900 1.00 44.21 C ATOM 769 OD1 ASP A 56 -9.253 -12.972 -3.896 1.00 31.43 O ATOM 770 OD2 ASP A 56 -10.550 -11.218 -4.013 1.00 31.34 O ATOM 0 H ASP A 56 -9.577 -9.306 -2.171 1.00 32.32 H new ATOM 0 HA ASP A 56 -7.643 -11.493 -1.731 1.00 10.25 H new ATOM 0 HB2 ASP A 56 -8.382 -9.869 -4.226 1.00 64.44 H new ATOM 0 HB3 ASP A 56 -7.333 -11.273 -4.203 1.00 64.44 H new ATOM 775 N GLY A 57 -6.796 -8.451 -1.470 1.00 30.33 N ATOM 776 CA GLY A 57 -5.720 -7.448 -1.355 1.00 43.44 C ATOM 777 C GLY A 57 -5.308 -6.841 -2.699 1.00 54.03 C ATOM 778 O GLY A 57 -4.154 -6.452 -2.888 1.00 11.50 O ATOM 0 H GLY A 57 -7.674 -8.167 -1.035 1.00 30.33 H new ATOM 0 HA2 GLY A 57 -6.048 -6.649 -0.689 1.00 43.44 H new ATOM 0 HA3 GLY A 57 -4.849 -7.912 -0.892 1.00 43.44 H new ATOM 782 N LYS A 58 -6.278 -6.764 -3.627 1.00 71.52 N ATOM 783 CA LYS A 58 -6.070 -6.252 -4.998 1.00 72.54 C ATOM 784 C LYS A 58 -6.284 -4.723 -5.090 1.00 41.20 C ATOM 785 O LYS A 58 -5.677 -4.066 -5.929 1.00 61.11 O ATOM 786 CB LYS A 58 -7.041 -6.988 -5.963 1.00 45.25 C ATOM 787 CG LYS A 58 -6.687 -8.472 -6.246 1.00 4.42 C ATOM 788 CD LYS A 58 -5.464 -8.637 -7.187 1.00 71.54 C ATOM 789 CE LYS A 58 -5.729 -8.067 -8.596 1.00 1.21 C ATOM 790 NZ LYS A 58 -4.580 -8.262 -9.514 1.00 42.12 N ATOM 0 H LYS A 58 -7.238 -7.058 -3.447 1.00 71.52 H new ATOM 0 HA LYS A 58 -5.035 -6.445 -5.281 1.00 72.54 H new ATOM 0 HB2 LYS A 58 -8.047 -6.944 -5.545 1.00 45.25 H new ATOM 0 HB3 LYS A 58 -7.065 -6.449 -6.910 1.00 45.25 H new ATOM 0 HG2 LYS A 58 -6.482 -8.977 -5.302 1.00 4.42 H new ATOM 0 HG3 LYS A 58 -7.550 -8.967 -6.691 1.00 4.42 H new ATOM 0 HD2 LYS A 58 -4.602 -8.134 -6.750 1.00 71.54 H new ATOM 0 HD3 LYS A 58 -5.210 -9.694 -7.267 1.00 71.54 H new ATOM 0 HE2 LYS A 58 -6.612 -8.546 -9.018 1.00 1.21 H new ATOM 0 HE3 LYS A 58 -5.951 -7.003 -8.518 1.00 1.21 H new ATOM 0 HZ1 LYS A 58 -4.809 -7.862 -10.446 1.00 42.12 H new ATOM 0 HZ2 LYS A 58 -3.742 -7.783 -9.128 1.00 42.12 H new ATOM 0 HZ3 LYS A 58 -4.383 -9.278 -9.612 1.00 42.12 H new ATOM 804 N THR A 59 -7.171 -4.176 -4.236 1.00 31.13 N ATOM 805 CA THR A 59 -7.535 -2.729 -4.235 1.00 21.11 C ATOM 806 C THR A 59 -7.551 -2.176 -2.794 1.00 61.32 C ATOM 807 O THR A 59 -7.833 -2.911 -1.845 1.00 14.52 O ATOM 808 CB THR A 59 -8.951 -2.467 -4.881 1.00 72.12 C ATOM 809 OG1 THR A 59 -9.974 -3.151 -4.132 1.00 50.13 O ATOM 810 CG2 THR A 59 -9.022 -2.917 -6.357 1.00 54.40 C ATOM 0 H THR A 59 -7.660 -4.718 -3.524 1.00 31.13 H new ATOM 0 HA THR A 59 -6.778 -2.221 -4.832 1.00 21.11 H new ATOM 0 HB THR A 59 -9.114 -1.390 -4.851 1.00 72.12 H new ATOM 0 HG1 THR A 59 -10.848 -2.980 -4.541 1.00 50.13 H new ATOM 0 HG21 THR A 59 -10.017 -2.714 -6.752 1.00 54.40 H new ATOM 0 HG22 THR A 59 -8.282 -2.370 -6.940 1.00 54.40 H new ATOM 0 HG23 THR A 59 -8.817 -3.986 -6.422 1.00 54.40 H new ATOM 818 N VAL A 60 -7.240 -0.873 -2.636 1.00 41.03 N ATOM 819 CA VAL A 60 -7.297 -0.159 -1.337 1.00 24.43 C ATOM 820 C VAL A 60 -7.986 1.217 -1.524 1.00 20.04 C ATOM 821 O VAL A 60 -7.519 2.042 -2.323 1.00 41.15 O ATOM 822 CB VAL A 60 -5.862 0.055 -0.696 1.00 55.52 C ATOM 823 CG1 VAL A 60 -5.944 0.846 0.634 1.00 20.45 C ATOM 824 CG2 VAL A 60 -5.124 -1.291 -0.471 1.00 44.25 C ATOM 0 H VAL A 60 -6.940 -0.280 -3.410 1.00 41.03 H new ATOM 0 HA VAL A 60 -7.872 -0.784 -0.654 1.00 24.43 H new ATOM 0 HB VAL A 60 -5.287 0.643 -1.411 1.00 55.52 H new ATOM 0 HG11 VAL A 60 -4.942 0.973 1.044 1.00 20.45 H new ATOM 0 HG12 VAL A 60 -6.387 1.824 0.449 1.00 20.45 H new ATOM 0 HG13 VAL A 60 -6.560 0.297 1.346 1.00 20.45 H new ATOM 0 HG21 VAL A 60 -4.145 -1.100 -0.031 1.00 44.25 H new ATOM 0 HG22 VAL A 60 -5.709 -1.918 0.202 1.00 44.25 H new ATOM 0 HG23 VAL A 60 -4.999 -1.801 -1.426 1.00 44.25 H new ATOM 834 N THR A 61 -9.099 1.453 -0.791 1.00 34.33 N ATOM 835 CA THR A 61 -9.768 2.769 -0.762 1.00 24.25 C ATOM 836 C THR A 61 -9.033 3.693 0.241 1.00 55.33 C ATOM 837 O THR A 61 -9.154 3.539 1.465 1.00 15.42 O ATOM 838 CB THR A 61 -11.284 2.657 -0.360 1.00 21.03 C ATOM 839 OG1 THR A 61 -11.941 1.647 -1.149 1.00 53.24 O ATOM 840 CG2 THR A 61 -12.027 3.998 -0.542 1.00 22.24 C ATOM 0 H THR A 61 -9.551 0.746 -0.212 1.00 34.33 H new ATOM 0 HA THR A 61 -9.726 3.186 -1.768 1.00 24.25 H new ATOM 0 HB THR A 61 -11.315 2.384 0.695 1.00 21.03 H new ATOM 0 HG1 THR A 61 -12.883 1.588 -0.886 1.00 53.24 H new ATOM 0 HG21 THR A 61 -13.071 3.878 -0.253 1.00 22.24 H new ATOM 0 HG22 THR A 61 -11.563 4.759 0.085 1.00 22.24 H new ATOM 0 HG23 THR A 61 -11.972 4.305 -1.586 1.00 22.24 H new ATOM 848 N ILE A 62 -8.249 4.620 -0.304 1.00 32.42 N ATOM 849 CA ILE A 62 -7.435 5.576 0.464 1.00 13.30 C ATOM 850 C ILE A 62 -8.239 6.867 0.738 1.00 13.14 C ATOM 851 O ILE A 62 -8.453 7.666 -0.171 1.00 63.03 O ATOM 852 CB ILE A 62 -6.137 5.941 -0.341 1.00 74.14 C ATOM 853 CG1 ILE A 62 -5.372 4.658 -0.783 1.00 13.55 C ATOM 854 CG2 ILE A 62 -5.227 6.898 0.464 1.00 62.11 C ATOM 855 CD1 ILE A 62 -4.166 4.918 -1.663 1.00 32.34 C ATOM 0 H ILE A 62 -8.156 4.735 -1.313 1.00 32.42 H new ATOM 0 HA ILE A 62 -7.162 5.113 1.412 1.00 13.30 H new ATOM 0 HB ILE A 62 -6.442 6.468 -1.245 1.00 74.14 H new ATOM 0 HG12 ILE A 62 -5.047 4.119 0.107 1.00 13.55 H new ATOM 0 HG13 ILE A 62 -6.062 4.005 -1.317 1.00 13.55 H new ATOM 0 HG21 ILE A 62 -4.337 7.132 -0.121 1.00 62.11 H new ATOM 0 HG22 ILE A 62 -5.769 7.818 0.683 1.00 62.11 H new ATOM 0 HG23 ILE A 62 -4.932 6.420 1.398 1.00 62.11 H new ATOM 0 HD11 ILE A 62 -3.694 3.970 -1.923 1.00 32.34 H new ATOM 0 HD12 ILE A 62 -4.483 5.427 -2.573 1.00 32.34 H new ATOM 0 HD13 ILE A 62 -3.452 5.543 -1.127 1.00 32.34 H new ATOM 867 N THR A 63 -8.685 7.072 1.983 1.00 34.31 N ATOM 868 CA THR A 63 -9.369 8.325 2.378 1.00 43.34 C ATOM 869 C THR A 63 -8.424 9.163 3.260 1.00 24.11 C ATOM 870 O THR A 63 -7.914 8.669 4.274 1.00 41.44 O ATOM 871 CB THR A 63 -10.716 8.059 3.133 1.00 51.12 C ATOM 872 OG1 THR A 63 -11.471 7.046 2.440 1.00 51.41 O ATOM 873 CG2 THR A 63 -11.565 9.345 3.221 1.00 43.44 C ATOM 0 H THR A 63 -8.588 6.393 2.738 1.00 34.31 H new ATOM 0 HA THR A 63 -9.618 8.870 1.468 1.00 43.34 H new ATOM 0 HB THR A 63 -10.477 7.725 4.143 1.00 51.12 H new ATOM 0 HG1 THR A 63 -12.312 6.881 2.916 1.00 51.41 H new ATOM 0 HG21 THR A 63 -12.494 9.132 3.750 1.00 43.44 H new ATOM 0 HG22 THR A 63 -11.009 10.112 3.760 1.00 43.44 H new ATOM 0 HG23 THR A 63 -11.793 9.700 2.216 1.00 43.44 H new ATOM 881 N PHE A 64 -8.198 10.428 2.862 1.00 73.31 N ATOM 882 CA PHE A 64 -7.168 11.298 3.476 1.00 15.34 C ATOM 883 C PHE A 64 -7.553 11.765 4.902 1.00 61.45 C ATOM 884 O PHE A 64 -8.737 11.934 5.223 1.00 62.21 O ATOM 885 CB PHE A 64 -6.865 12.502 2.555 1.00 43.40 C ATOM 886 CG PHE A 64 -6.324 12.096 1.186 1.00 14.14 C ATOM 887 CD1 PHE A 64 -7.191 11.706 0.159 1.00 12.12 C ATOM 888 CD2 PHE A 64 -4.950 12.064 0.936 1.00 11.11 C ATOM 889 CE1 PHE A 64 -6.704 11.319 -1.070 1.00 54.43 C ATOM 890 CE2 PHE A 64 -4.466 11.681 -0.299 1.00 64.33 C ATOM 891 CZ PHE A 64 -5.342 11.297 -1.296 1.00 72.43 C ATOM 0 H PHE A 64 -8.719 10.878 2.110 1.00 73.31 H new ATOM 0 HA PHE A 64 -6.263 10.701 3.585 1.00 15.34 H new ATOM 0 HB2 PHE A 64 -7.776 13.085 2.419 1.00 43.40 H new ATOM 0 HB3 PHE A 64 -6.141 13.152 3.046 1.00 43.40 H new ATOM 0 HD1 PHE A 64 -8.257 11.708 0.332 1.00 12.12 H new ATOM 0 HD2 PHE A 64 -4.259 12.342 1.718 1.00 11.11 H new ATOM 0 HE1 PHE A 64 -7.387 11.033 -1.856 1.00 54.43 H new ATOM 0 HE2 PHE A 64 -3.402 11.682 -0.486 1.00 64.33 H new ATOM 0 HZ PHE A 64 -4.960 10.979 -2.255 1.00 72.43 H new ATOM 901 N ALA A 65 -6.530 11.948 5.750 1.00 33.02 N ATOM 902 CA ALA A 65 -6.689 12.340 7.166 1.00 72.12 C ATOM 903 C ALA A 65 -5.555 13.289 7.605 1.00 73.54 C ATOM 904 O ALA A 65 -4.464 13.286 7.018 1.00 0.33 O ATOM 905 CB ALA A 65 -6.722 11.083 8.058 1.00 62.31 C ATOM 0 H ALA A 65 -5.556 11.828 5.472 1.00 33.02 H new ATOM 0 HA ALA A 65 -7.633 12.875 7.275 1.00 72.12 H new ATOM 0 HB1 ALA A 65 -6.839 11.379 9.100 1.00 62.31 H new ATOM 0 HB2 ALA A 65 -7.560 10.450 7.764 1.00 62.31 H new ATOM 0 HB3 ALA A 65 -5.790 10.529 7.941 1.00 62.31 H new ATOM 911 N ALA A 66 -5.834 14.118 8.638 1.00 32.23 N ATOM 912 CA ALA A 66 -4.824 15.005 9.266 1.00 63.42 C ATOM 913 C ALA A 66 -3.657 14.196 9.890 1.00 52.43 C ATOM 914 O ALA A 66 -2.525 14.680 9.980 1.00 41.12 O ATOM 915 CB ALA A 66 -5.493 15.890 10.332 1.00 73.33 C ATOM 0 H ALA A 66 -6.760 14.192 9.059 1.00 32.23 H new ATOM 0 HA ALA A 66 -4.402 15.638 8.485 1.00 63.42 H new ATOM 0 HB1 ALA A 66 -4.745 16.538 10.788 1.00 73.33 H new ATOM 0 HB2 ALA A 66 -6.266 16.500 9.865 1.00 73.33 H new ATOM 0 HB3 ALA A 66 -5.943 15.259 11.099 1.00 73.33 H new ATOM 921 N ASP A 67 -3.969 12.962 10.335 1.00 34.14 N ATOM 922 CA ASP A 67 -2.972 11.983 10.835 1.00 74.40 C ATOM 923 C ASP A 67 -2.645 10.947 9.732 1.00 53.24 C ATOM 924 O ASP A 67 -3.277 10.943 8.672 1.00 73.45 O ATOM 925 CB ASP A 67 -3.531 11.276 12.095 1.00 31.20 C ATOM 926 CG ASP A 67 -3.941 12.270 13.190 1.00 72.21 C ATOM 927 OD1 ASP A 67 -3.080 12.659 14.008 1.00 53.32 O ATOM 928 OD2 ASP A 67 -5.119 12.692 13.216 1.00 1.35 O ATOM 0 H ASP A 67 -4.926 12.610 10.359 1.00 34.14 H new ATOM 0 HA ASP A 67 -2.052 12.505 11.099 1.00 74.40 H new ATOM 0 HB2 ASP A 67 -4.394 10.671 11.816 1.00 31.20 H new ATOM 0 HB3 ASP A 67 -2.778 10.595 12.490 1.00 31.20 H new ATOM 933 N ASP A 68 -1.658 10.059 9.987 1.00 14.44 N ATOM 934 CA ASP A 68 -1.258 9.008 9.014 1.00 25.12 C ATOM 935 C ASP A 68 -2.244 7.803 9.056 1.00 31.41 C ATOM 936 O ASP A 68 -1.949 6.747 9.632 1.00 24.23 O ATOM 937 CB ASP A 68 0.203 8.545 9.273 1.00 52.51 C ATOM 938 CG ASP A 68 1.212 9.698 9.168 1.00 41.14 C ATOM 939 OD1 ASP A 68 1.657 10.019 8.042 1.00 31.21 O ATOM 940 OD2 ASP A 68 1.545 10.309 10.206 1.00 0.44 O ATOM 0 H ASP A 68 -1.123 10.046 10.855 1.00 14.44 H new ATOM 0 HA ASP A 68 -1.303 9.438 8.014 1.00 25.12 H new ATOM 0 HB2 ASP A 68 0.269 8.098 10.265 1.00 52.51 H new ATOM 0 HB3 ASP A 68 0.467 7.768 8.555 1.00 52.51 H new ATOM 945 N SER A 69 -3.448 8.008 8.496 1.00 45.25 N ATOM 946 CA SER A 69 -4.493 6.952 8.342 1.00 43.04 C ATOM 947 C SER A 69 -4.713 6.616 6.857 1.00 0.13 C ATOM 948 O SER A 69 -5.332 5.611 6.514 1.00 15.10 O ATOM 949 CB SER A 69 -5.820 7.445 8.968 1.00 12.30 C ATOM 950 OG SER A 69 -5.654 7.795 10.334 1.00 62.52 O ATOM 0 H SER A 69 -3.737 8.915 8.131 1.00 45.25 H new ATOM 0 HA SER A 69 -4.157 6.050 8.854 1.00 43.04 H new ATOM 0 HB2 SER A 69 -6.187 8.308 8.412 1.00 12.30 H new ATOM 0 HB3 SER A 69 -6.576 6.665 8.881 1.00 12.30 H new ATOM 0 HG SER A 69 -6.510 8.104 10.699 1.00 62.52 H new ATOM 956 N ASP A 70 -4.197 7.492 5.994 1.00 62.43 N ATOM 957 CA ASP A 70 -4.311 7.395 4.525 1.00 53.43 C ATOM 958 C ASP A 70 -3.074 6.716 3.893 1.00 51.32 C ATOM 959 O ASP A 70 -3.171 6.108 2.828 1.00 12.41 O ATOM 960 CB ASP A 70 -4.516 8.819 3.949 1.00 5.43 C ATOM 961 CG ASP A 70 -3.587 9.869 4.593 1.00 21.33 C ATOM 962 OD1 ASP A 70 -3.942 10.395 5.669 1.00 5.13 O ATOM 963 OD2 ASP A 70 -2.492 10.140 4.064 1.00 40.42 O ATOM 0 H ASP A 70 -3.673 8.313 6.298 1.00 62.43 H new ATOM 0 HA ASP A 70 -5.168 6.768 4.278 1.00 53.43 H new ATOM 0 HB2 ASP A 70 -4.341 8.798 2.873 1.00 5.43 H new ATOM 0 HB3 ASP A 70 -5.553 9.119 4.098 1.00 5.43 H new ATOM 968 N ASN A 71 -1.918 6.831 4.566 1.00 51.52 N ATOM 969 CA ASN A 71 -0.637 6.274 4.084 1.00 12.45 C ATOM 970 C ASN A 71 -0.650 4.721 4.149 1.00 62.23 C ATOM 971 O ASN A 71 -0.712 4.127 5.230 1.00 4.52 O ATOM 972 CB ASN A 71 0.528 6.871 4.908 1.00 51.42 C ATOM 973 CG ASN A 71 0.584 8.400 4.795 1.00 52.45 C ATOM 974 OD1 ASN A 71 1.239 8.954 3.918 1.00 53.41 O ATOM 975 ND2 ASN A 71 -0.114 9.094 5.673 1.00 75.34 N ATOM 0 H ASN A 71 -1.842 7.313 5.462 1.00 51.52 H new ATOM 0 HA ASN A 71 -0.495 6.548 3.039 1.00 12.45 H new ATOM 0 HB2 ASN A 71 0.415 6.588 5.955 1.00 51.42 H new ATOM 0 HB3 ASN A 71 1.471 6.447 4.564 1.00 51.42 H new ATOM 0 HD21 ASN A 71 -0.117 10.113 5.631 1.00 75.34 H new ATOM 0 HD22 ASN A 71 -0.651 8.612 6.393 1.00 75.34 H new ATOM 982 N VAL A 72 -0.598 4.093 2.963 1.00 34.40 N ATOM 983 CA VAL A 72 -0.798 2.642 2.768 1.00 13.13 C ATOM 984 C VAL A 72 0.552 1.878 2.757 1.00 75.45 C ATOM 985 O VAL A 72 1.419 2.157 1.934 1.00 51.22 O ATOM 986 CB VAL A 72 -1.585 2.415 1.420 1.00 63.33 C ATOM 987 CG1 VAL A 72 -1.701 0.925 1.036 1.00 31.44 C ATOM 988 CG2 VAL A 72 -2.983 3.070 1.499 1.00 2.34 C ATOM 0 H VAL A 72 -0.412 4.589 2.091 1.00 34.40 H new ATOM 0 HA VAL A 72 -1.377 2.247 3.602 1.00 13.13 H new ATOM 0 HB VAL A 72 -1.007 2.894 0.630 1.00 63.33 H new ATOM 0 HG11 VAL A 72 -2.252 0.832 0.100 1.00 31.44 H new ATOM 0 HG12 VAL A 72 -0.704 0.502 0.913 1.00 31.44 H new ATOM 0 HG13 VAL A 72 -2.229 0.386 1.823 1.00 31.44 H new ATOM 0 HG21 VAL A 72 -3.515 2.906 0.562 1.00 2.34 H new ATOM 0 HG22 VAL A 72 -3.547 2.626 2.319 1.00 2.34 H new ATOM 0 HG23 VAL A 72 -2.874 4.141 1.671 1.00 2.34 H new ATOM 998 N VAL A 73 0.714 0.901 3.676 1.00 62.12 N ATOM 999 CA VAL A 73 1.963 0.098 3.805 1.00 32.14 C ATOM 1000 C VAL A 73 1.677 -1.404 3.537 1.00 51.13 C ATOM 1001 O VAL A 73 1.009 -2.063 4.340 1.00 25.42 O ATOM 1002 CB VAL A 73 2.615 0.267 5.235 1.00 75.21 C ATOM 1003 CG1 VAL A 73 3.940 -0.531 5.356 1.00 22.20 C ATOM 1004 CG2 VAL A 73 2.835 1.763 5.581 1.00 4.35 C ATOM 0 H VAL A 73 -0.009 0.643 4.348 1.00 62.12 H new ATOM 0 HA VAL A 73 2.667 0.470 3.060 1.00 32.14 H new ATOM 0 HB VAL A 73 1.914 -0.145 5.960 1.00 75.21 H new ATOM 0 HG11 VAL A 73 4.359 -0.391 6.352 1.00 22.20 H new ATOM 0 HG12 VAL A 73 3.743 -1.590 5.191 1.00 22.20 H new ATOM 0 HG13 VAL A 73 4.650 -0.173 4.610 1.00 22.20 H new ATOM 0 HG21 VAL A 73 3.285 1.845 6.571 1.00 4.35 H new ATOM 0 HG22 VAL A 73 3.498 2.214 4.842 1.00 4.35 H new ATOM 0 HG23 VAL A 73 1.877 2.283 5.573 1.00 4.35 H new ATOM 1014 N ILE A 74 2.188 -1.933 2.409 1.00 22.42 N ATOM 1015 CA ILE A 74 2.005 -3.359 2.024 1.00 41.41 C ATOM 1016 C ILE A 74 3.178 -4.197 2.581 1.00 42.02 C ATOM 1017 O ILE A 74 4.330 -3.809 2.450 1.00 10.23 O ATOM 1018 CB ILE A 74 1.911 -3.573 0.451 1.00 73.52 C ATOM 1019 CG1 ILE A 74 0.745 -2.747 -0.197 1.00 71.31 C ATOM 1020 CG2 ILE A 74 1.752 -5.077 0.093 1.00 50.45 C ATOM 1021 CD1 ILE A 74 0.999 -1.261 -0.331 1.00 4.34 C ATOM 0 H ILE A 74 2.737 -1.394 1.739 1.00 22.42 H new ATOM 0 HA ILE A 74 1.056 -3.683 2.451 1.00 41.41 H new ATOM 0 HB ILE A 74 2.851 -3.206 0.038 1.00 73.52 H new ATOM 0 HG12 ILE A 74 0.541 -3.154 -1.187 1.00 71.31 H new ATOM 0 HG13 ILE A 74 -0.156 -2.892 0.400 1.00 71.31 H new ATOM 0 HG21 ILE A 74 1.691 -5.189 -0.990 1.00 50.45 H new ATOM 0 HG22 ILE A 74 2.612 -5.633 0.467 1.00 50.45 H new ATOM 0 HG23 ILE A 74 0.842 -5.466 0.550 1.00 50.45 H new ATOM 0 HD11 ILE A 74 0.133 -0.784 -0.790 1.00 4.34 H new ATOM 0 HD12 ILE A 74 1.170 -0.831 0.656 1.00 4.34 H new ATOM 0 HD13 ILE A 74 1.877 -1.097 -0.956 1.00 4.34 H new ATOM 1033 N HIS A 75 2.867 -5.340 3.198 1.00 12.41 N ATOM 1034 CA HIS A 75 3.865 -6.267 3.777 1.00 42.50 C ATOM 1035 C HIS A 75 3.960 -7.551 2.926 1.00 24.24 C ATOM 1036 O HIS A 75 2.936 -8.138 2.556 1.00 64.40 O ATOM 1037 CB HIS A 75 3.503 -6.601 5.242 1.00 12.43 C ATOM 1038 CG HIS A 75 3.603 -5.413 6.173 1.00 74.55 C ATOM 1039 ND1 HIS A 75 4.532 -5.324 7.188 1.00 22.14 N ATOM 1040 CD2 HIS A 75 2.911 -4.245 6.213 1.00 41.44 C ATOM 1041 CE1 HIS A 75 4.407 -4.166 7.804 1.00 63.22 C ATOM 1042 NE2 HIS A 75 3.435 -3.497 7.234 1.00 60.10 N ATOM 0 H HIS A 75 1.905 -5.659 3.315 1.00 12.41 H new ATOM 0 HA HIS A 75 4.841 -5.781 3.771 1.00 42.50 H new ATOM 0 HB2 HIS A 75 2.487 -6.995 5.276 1.00 12.43 H new ATOM 0 HB3 HIS A 75 4.164 -7.390 5.600 1.00 12.43 H new ATOM 0 HD2 HIS A 75 2.099 -3.959 5.561 1.00 41.44 H new ATOM 0 HE1 HIS A 75 5.004 -3.826 8.637 1.00 63.22 H new ATOM 0 HE2 HIS A 75 3.119 -2.567 7.507 1.00 60.10 H new ATOM 1051 N LEU A 76 5.205 -7.970 2.622 1.00 53.32 N ATOM 1052 CA LEU A 76 5.495 -9.099 1.704 1.00 64.33 C ATOM 1053 C LEU A 76 6.453 -10.135 2.343 1.00 72.13 C ATOM 1054 O LEU A 76 7.122 -9.854 3.336 1.00 3.21 O ATOM 1055 CB LEU A 76 6.101 -8.547 0.376 1.00 32.52 C ATOM 1056 CG LEU A 76 5.175 -7.586 -0.445 1.00 51.44 C ATOM 1057 CD1 LEU A 76 5.897 -6.997 -1.678 1.00 4.32 C ATOM 1058 CD2 LEU A 76 3.859 -8.295 -0.850 1.00 41.25 C ATOM 0 H LEU A 76 6.044 -7.535 3.006 1.00 53.32 H new ATOM 0 HA LEU A 76 4.557 -9.614 1.496 1.00 64.33 H new ATOM 0 HB2 LEU A 76 7.025 -8.018 0.612 1.00 32.52 H new ATOM 0 HB3 LEU A 76 6.370 -9.392 -0.258 1.00 32.52 H new ATOM 0 HG LEU A 76 4.922 -6.748 0.205 1.00 51.44 H new ATOM 0 HD11 LEU A 76 5.217 -6.337 -2.217 1.00 4.32 H new ATOM 0 HD12 LEU A 76 6.770 -6.431 -1.353 1.00 4.32 H new ATOM 0 HD13 LEU A 76 6.214 -7.807 -2.335 1.00 4.32 H new ATOM 0 HD21 LEU A 76 3.235 -7.606 -1.419 1.00 41.25 H new ATOM 0 HD22 LEU A 76 4.089 -9.166 -1.463 1.00 41.25 H new ATOM 0 HD23 LEU A 76 3.326 -8.612 0.046 1.00 41.25 H new ATOM 1070 N LYS A 77 6.482 -11.348 1.770 1.00 31.04 N ATOM 1071 CA LYS A 77 7.481 -12.396 2.108 1.00 43.14 C ATOM 1072 C LYS A 77 8.293 -12.780 0.853 1.00 11.34 C ATOM 1073 O LYS A 77 7.893 -12.491 -0.267 1.00 2.21 O ATOM 1074 CB LYS A 77 6.784 -13.657 2.708 1.00 4.23 C ATOM 1075 CG LYS A 77 6.421 -13.567 4.210 1.00 70.21 C ATOM 1076 CD LYS A 77 7.671 -13.320 5.096 1.00 53.34 C ATOM 1077 CE LYS A 77 7.456 -13.660 6.578 1.00 43.25 C ATOM 1078 NZ LYS A 77 8.734 -13.583 7.337 1.00 50.12 N ATOM 0 H LYS A 77 5.815 -11.639 1.056 1.00 31.04 H new ATOM 0 HA LYS A 77 8.160 -11.993 2.860 1.00 43.14 H new ATOM 0 HB2 LYS A 77 5.872 -13.850 2.143 1.00 4.23 H new ATOM 0 HB3 LYS A 77 7.438 -14.517 2.561 1.00 4.23 H new ATOM 0 HG2 LYS A 77 5.704 -12.760 4.362 1.00 70.21 H new ATOM 0 HG3 LYS A 77 5.933 -14.491 4.521 1.00 70.21 H new ATOM 0 HD2 LYS A 77 8.500 -13.915 4.713 1.00 53.34 H new ATOM 0 HD3 LYS A 77 7.964 -12.273 5.012 1.00 53.34 H new ATOM 0 HE2 LYS A 77 6.731 -12.971 7.011 1.00 43.25 H new ATOM 0 HE3 LYS A 77 7.036 -14.662 6.667 1.00 43.25 H new ATOM 0 HZ1 LYS A 77 8.743 -14.314 8.076 1.00 50.12 H new ATOM 0 HZ2 LYS A 77 9.533 -13.736 6.689 1.00 50.12 H new ATOM 0 HZ3 LYS A 77 8.820 -12.645 7.777 1.00 50.12 H new ATOM 1092 N HIS A 78 9.459 -13.399 1.062 1.00 32.33 N ATOM 1093 CA HIS A 78 10.310 -13.925 -0.027 1.00 73.32 C ATOM 1094 C HIS A 78 10.073 -15.438 -0.240 1.00 31.51 C ATOM 1095 O HIS A 78 9.974 -16.193 0.731 1.00 10.35 O ATOM 1096 CB HIS A 78 11.804 -13.652 0.282 1.00 41.45 C ATOM 1097 CG HIS A 78 12.200 -12.195 0.263 1.00 53.22 C ATOM 1098 ND1 HIS A 78 13.464 -11.762 0.592 1.00 41.32 N ATOM 1099 CD2 HIS A 78 11.512 -11.076 -0.090 1.00 11.10 C ATOM 1100 CE1 HIS A 78 13.538 -10.457 0.445 1.00 12.24 C ATOM 1101 NE2 HIS A 78 12.375 -10.017 0.032 1.00 33.55 N ATOM 0 H HIS A 78 9.847 -13.553 1.993 1.00 32.33 H new ATOM 0 HA HIS A 78 10.039 -13.409 -0.948 1.00 73.32 H new ATOM 0 HB2 HIS A 78 12.039 -14.065 1.263 1.00 41.45 H new ATOM 0 HB3 HIS A 78 12.414 -14.189 -0.444 1.00 41.45 H new ATOM 0 HD1 HIS A 78 14.228 -12.362 0.903 1.00 41.32 H new ATOM 0 HD2 HIS A 78 10.480 -11.030 -0.407 1.00 11.10 H new ATOM 0 HE1 HIS A 78 14.411 -9.850 0.633 1.00 12.24 H new ATOM 1110 N GLY A 79 10.020 -15.847 -1.528 1.00 55.52 N ATOM 1111 CA GLY A 79 9.880 -17.250 -1.955 1.00 14.32 C ATOM 1112 C GLY A 79 8.876 -18.114 -1.168 1.00 21.10 C ATOM 1113 O GLY A 79 7.662 -17.959 -1.302 1.00 31.24 O ATOM 0 H GLY A 79 10.075 -15.196 -2.311 1.00 55.52 H new ATOM 0 HA2 GLY A 79 9.587 -17.259 -3.005 1.00 14.32 H new ATOM 0 HA3 GLY A 79 10.859 -17.724 -1.893 1.00 14.32 H new ATOM 1117 N LEU A 80 9.415 -19.016 -0.323 1.00 20.42 N ATOM 1118 CA LEU A 80 8.645 -20.062 0.389 1.00 71.55 C ATOM 1119 C LEU A 80 8.590 -19.797 1.921 1.00 33.43 C ATOM 1120 O LEU A 80 8.648 -20.745 2.721 1.00 51.34 O ATOM 1121 CB LEU A 80 9.259 -21.474 0.101 1.00 55.12 C ATOM 1122 CG LEU A 80 9.260 -21.977 -1.394 1.00 13.05 C ATOM 1123 CD1 LEU A 80 10.374 -21.313 -2.244 1.00 53.12 C ATOM 1124 CD2 LEU A 80 9.365 -23.519 -1.461 1.00 74.03 C ATOM 0 H LEU A 80 10.412 -19.040 -0.111 1.00 20.42 H new ATOM 0 HA LEU A 80 7.622 -20.033 0.015 1.00 71.55 H new ATOM 0 HB2 LEU A 80 10.290 -21.471 0.456 1.00 55.12 H new ATOM 0 HB3 LEU A 80 8.717 -22.205 0.701 1.00 55.12 H new ATOM 0 HG LEU A 80 8.306 -21.674 -1.826 1.00 13.05 H new ATOM 0 HD11 LEU A 80 10.330 -21.695 -3.264 1.00 53.12 H new ATOM 0 HD12 LEU A 80 10.229 -20.233 -2.254 1.00 53.12 H new ATOM 0 HD13 LEU A 80 11.348 -21.544 -1.812 1.00 53.12 H new ATOM 0 HD21 LEU A 80 9.364 -23.839 -2.503 1.00 74.03 H new ATOM 0 HD22 LEU A 80 10.290 -23.842 -0.984 1.00 74.03 H new ATOM 0 HD23 LEU A 80 8.515 -23.964 -0.944 1.00 74.03 H new ATOM 1136 N GLU A 81 8.419 -18.518 2.339 1.00 3.02 N ATOM 1137 CA GLU A 81 8.315 -18.162 3.786 1.00 51.13 C ATOM 1138 C GLU A 81 6.875 -18.392 4.336 1.00 31.44 C ATOM 1139 O GLU A 81 6.141 -17.446 4.651 1.00 61.43 O ATOM 1140 CB GLU A 81 8.791 -16.707 4.058 1.00 5.21 C ATOM 1141 CG GLU A 81 10.315 -16.482 3.964 1.00 2.04 C ATOM 1142 CD GLU A 81 10.735 -15.080 4.439 1.00 14.01 C ATOM 1143 OE1 GLU A 81 10.971 -14.893 5.663 1.00 34.05 O ATOM 1144 OE2 GLU A 81 10.780 -14.154 3.612 1.00 62.31 O ATOM 0 H GLU A 81 8.350 -17.721 1.707 1.00 3.02 H new ATOM 0 HA GLU A 81 8.984 -18.833 4.324 1.00 51.13 H new ATOM 0 HB2 GLU A 81 8.298 -16.043 3.348 1.00 5.21 H new ATOM 0 HB3 GLU A 81 8.458 -16.414 5.054 1.00 5.21 H new ATOM 0 HG2 GLU A 81 10.828 -17.234 4.564 1.00 2.04 H new ATOM 0 HG3 GLU A 81 10.637 -16.624 2.932 1.00 2.04 H new ATOM 1151 N HIS A 82 6.486 -19.676 4.384 1.00 75.20 N ATOM 1152 CA HIS A 82 5.241 -20.180 5.020 1.00 34.24 C ATOM 1153 C HIS A 82 5.499 -21.575 5.643 1.00 63.35 C ATOM 1154 O HIS A 82 4.580 -22.199 6.182 1.00 2.03 O ATOM 1155 CB HIS A 82 4.081 -20.280 3.980 1.00 61.21 C ATOM 1156 CG HIS A 82 3.565 -18.953 3.494 1.00 44.24 C ATOM 1157 ND1 HIS A 82 4.031 -18.332 2.354 1.00 61.21 N ATOM 1158 CD2 HIS A 82 2.626 -18.121 4.009 1.00 64.22 C ATOM 1159 CE1 HIS A 82 3.408 -17.187 2.199 1.00 52.42 C ATOM 1160 NE2 HIS A 82 2.553 -17.037 3.185 1.00 45.32 N ATOM 0 H HIS A 82 7.043 -20.423 3.969 1.00 75.20 H new ATOM 0 HA HIS A 82 4.947 -19.476 5.799 1.00 34.24 H new ATOM 0 HB2 HIS A 82 4.427 -20.857 3.123 1.00 61.21 H new ATOM 0 HB3 HIS A 82 3.256 -20.835 4.426 1.00 61.21 H new ATOM 0 HD2 HIS A 82 2.045 -18.286 4.904 1.00 64.22 H new ATOM 0 HE1 HIS A 82 3.571 -16.485 1.395 1.00 52.42 H new ATOM 0 HE2 HIS A 82 1.933 -16.237 3.314 1.00 45.32 H new ATOM 1169 N HIS A 83 6.766 -22.045 5.580 1.00 34.41 N ATOM 1170 CA HIS A 83 7.143 -23.413 5.983 1.00 0.33 C ATOM 1171 C HIS A 83 8.566 -23.420 6.602 1.00 61.43 C ATOM 1172 O HIS A 83 9.515 -22.912 5.994 1.00 50.04 O ATOM 1173 CB HIS A 83 7.084 -24.346 4.744 1.00 70.14 C ATOM 1174 CG HIS A 83 7.193 -25.822 5.056 1.00 1.21 C ATOM 1175 ND1 HIS A 83 8.384 -26.515 5.032 1.00 31.31 N ATOM 1176 CD2 HIS A 83 6.246 -26.738 5.391 1.00 41.44 C ATOM 1177 CE1 HIS A 83 8.165 -27.778 5.329 1.00 20.20 C ATOM 1178 NE2 HIS A 83 6.884 -27.937 5.551 1.00 5.20 N ATOM 0 H HIS A 83 7.552 -21.485 5.249 1.00 34.41 H new ATOM 0 HA HIS A 83 6.444 -23.774 6.737 1.00 0.33 H new ATOM 0 HB2 HIS A 83 6.146 -24.169 4.217 1.00 70.14 H new ATOM 0 HB3 HIS A 83 7.889 -24.073 4.062 1.00 70.14 H new ATOM 0 HD2 HIS A 83 5.188 -26.553 5.509 1.00 41.44 H new ATOM 0 HE1 HIS A 83 8.915 -28.553 5.381 1.00 20.20 H new ATOM 0 HE2 HIS A 83 6.433 -28.817 5.803 1.00 5.20 H new ATOM 1187 N HIS A 84 8.696 -24.006 7.810 1.00 22.43 N ATOM 1188 CA HIS A 84 9.994 -24.152 8.522 1.00 42.12 C ATOM 1189 C HIS A 84 10.850 -25.309 7.939 1.00 60.04 C ATOM 1190 O HIS A 84 10.384 -26.095 7.110 1.00 4.55 O ATOM 1191 CB HIS A 84 9.744 -24.402 10.033 1.00 45.05 C ATOM 1192 CG HIS A 84 9.016 -23.290 10.748 1.00 15.43 C ATOM 1193 ND1 HIS A 84 7.719 -23.401 11.211 1.00 15.04 N ATOM 1194 CD2 HIS A 84 9.432 -22.055 11.120 1.00 24.13 C ATOM 1195 CE1 HIS A 84 7.379 -22.292 11.835 1.00 0.33 C ATOM 1196 NE2 HIS A 84 8.396 -21.458 11.793 1.00 75.01 N ATOM 0 H HIS A 84 7.906 -24.394 8.325 1.00 22.43 H new ATOM 0 HA HIS A 84 10.548 -23.224 8.385 1.00 42.12 H new ATOM 0 HB2 HIS A 84 9.171 -25.322 10.144 1.00 45.05 H new ATOM 0 HB3 HIS A 84 10.704 -24.563 10.524 1.00 45.05 H new ATOM 0 HD2 HIS A 84 10.401 -21.621 10.923 1.00 24.13 H new ATOM 0 HE1 HIS A 84 6.425 -22.099 12.303 1.00 0.33 H new ATOM 0 HE2 HIS A 84 8.412 -20.521 12.195 1.00 75.01 H new ATOM 1205 N HIS A 85 12.110 -25.407 8.396 1.00 31.41 N ATOM 1206 CA HIS A 85 13.054 -26.470 7.961 1.00 23.53 C ATOM 1207 C HIS A 85 13.122 -27.620 8.999 1.00 45.00 C ATOM 1208 O HIS A 85 13.243 -28.792 8.634 1.00 73.15 O ATOM 1209 CB HIS A 85 14.459 -25.870 7.712 1.00 32.43 C ATOM 1210 CG HIS A 85 14.508 -24.894 6.556 1.00 5.13 C ATOM 1211 ND1 HIS A 85 15.162 -25.155 5.372 1.00 21.34 N ATOM 1212 CD2 HIS A 85 13.974 -23.654 6.408 1.00 1.10 C ATOM 1213 CE1 HIS A 85 15.029 -24.131 4.555 1.00 12.52 C ATOM 1214 NE2 HIS A 85 14.313 -23.210 5.159 1.00 0.23 N ATOM 0 H HIS A 85 12.509 -24.758 9.075 1.00 31.41 H new ATOM 0 HA HIS A 85 12.685 -26.891 7.026 1.00 23.53 H new ATOM 0 HB2 HIS A 85 14.794 -25.364 8.618 1.00 32.43 H new ATOM 0 HB3 HIS A 85 15.162 -26.681 7.521 1.00 32.43 H new ATOM 0 HD2 HIS A 85 13.390 -23.117 7.141 1.00 1.10 H new ATOM 0 HE1 HIS A 85 15.439 -24.060 3.558 1.00 12.52 H new ATOM 0 HE2 HIS A 85 14.052 -22.308 4.761 1.00 0.23 H new ATOM 1223 N HIS A 86 13.053 -27.267 10.294 1.00 4.20 N ATOM 1224 CA HIS A 86 13.033 -28.246 11.405 1.00 65.22 C ATOM 1225 C HIS A 86 11.580 -28.672 11.731 1.00 35.11 C ATOM 1226 O HIS A 86 10.679 -27.827 11.805 1.00 1.13 O ATOM 1227 CB HIS A 86 13.734 -27.649 12.654 1.00 31.21 C ATOM 1228 CG HIS A 86 15.226 -27.469 12.472 1.00 54.54 C ATOM 1229 ND1 HIS A 86 16.161 -28.357 12.963 1.00 4.10 N ATOM 1230 CD2 HIS A 86 15.942 -26.512 11.826 1.00 62.14 C ATOM 1231 CE1 HIS A 86 17.371 -27.958 12.633 1.00 50.23 C ATOM 1232 NE2 HIS A 86 17.267 -26.844 11.944 1.00 33.11 N ATOM 0 H HIS A 86 13.009 -26.296 10.605 1.00 4.20 H new ATOM 0 HA HIS A 86 13.580 -29.138 11.098 1.00 65.22 H new ATOM 0 HB2 HIS A 86 13.284 -26.684 12.889 1.00 31.21 H new ATOM 0 HB3 HIS A 86 13.555 -28.301 13.509 1.00 31.21 H new ATOM 0 HD2 HIS A 86 15.542 -25.649 11.314 1.00 62.14 H new ATOM 0 HE1 HIS A 86 18.293 -28.461 12.886 1.00 50.23 H new ATOM 0 HE2 HIS A 86 18.047 -26.312 11.559 1.00 33.11 H new ATOM 1241 N HIS A 87 11.375 -29.992 11.924 1.00 41.41 N ATOM 1242 CA HIS A 87 10.048 -30.599 12.196 1.00 4.23 C ATOM 1243 C HIS A 87 9.567 -30.271 13.625 1.00 53.35 C ATOM 1244 O HIS A 87 10.129 -30.752 14.615 1.00 72.23 O ATOM 1245 CB HIS A 87 10.133 -32.135 11.961 1.00 51.14 C ATOM 1246 CG HIS A 87 8.845 -32.895 12.190 1.00 71.31 C ATOM 1247 ND1 HIS A 87 8.572 -33.577 13.360 1.00 73.22 N ATOM 1248 CD2 HIS A 87 7.768 -33.103 11.388 1.00 55.11 C ATOM 1249 CE1 HIS A 87 7.397 -34.161 13.264 1.00 74.41 C ATOM 1250 NE2 HIS A 87 6.890 -33.893 12.084 1.00 4.34 N ATOM 0 H HIS A 87 12.131 -30.676 11.896 1.00 41.41 H new ATOM 0 HA HIS A 87 9.312 -30.177 11.512 1.00 4.23 H new ATOM 0 HB2 HIS A 87 10.463 -32.312 10.937 1.00 51.14 H new ATOM 0 HB3 HIS A 87 10.900 -32.545 12.619 1.00 51.14 H new ATOM 0 HD2 HIS A 87 7.630 -32.718 10.389 1.00 55.11 H new ATOM 0 HE1 HIS A 87 6.928 -34.761 14.029 1.00 74.41 H new ATOM 0 HE2 HIS A 87 5.987 -34.220 11.740 1.00 4.34 H new TER 1259 HIS A 87