USER MOD reduce.3.24.130724 H: found=0, std=0, add=722, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 722 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 75 GLN : amide:sc= -0.42 X(o=-1,f=-0.99) USER MOD Set 1.2: A 79 GLN : amide:sc= -0.62 K(o=-1,f=-2.1) USER MOD Set 2.1: A 71 LYS NZ :NH3+ 160:sc= 0.983 (180deg=0) USER MOD Set 2.2: A 72 ASN : amide:sc= 0.853 K(o=1.8,f=-3.9) USER MOD Set 3.1: A 61 THR OG1 : rot -33:sc= 0.203 USER MOD Set 3.2: A 90 GLN : amide:sc= -0.439 X(o=-0.28,f=-0.45!) USER MOD Set 3.3: A 92 MET CE :methyl 164:sc= -0.0444 (180deg=-0.335) USER MOD Set 4.1: A 5 HIS : no HD1:sc= -0.0858 X(o=-0.18,f=0.014) USER MOD Set 4.2: A 7 HIS : no HD1:sc= -0.0906 X(o=-0.18,f=0) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -177:sc= -0.112 (180deg=-0.126) USER MOD Single : A 3 HIS : no HD1:sc= -0.38 K(o=-0.38,f=-1.1) USER MOD Single : A 4 HIS : no HD1:sc= 0 X(o=0,f=-0.0043) USER MOD Single : A 6 HIS : no HD1:sc= 0 X(o=0,f=-0.013) USER MOD Single : A 8 HIS : no HD1:sc= 0 X(o=0,f=-0.014) USER MOD Single : A 9 SER OG : rot 50:sc= 0.191 USER MOD Single : A 10 HIS : no HD1:sc=-0.00203 K(o=-0.002,f=-0.63) USER MOD Single : A 11 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 22 MET CE :methyl -128:sc= -0.536 (180deg=-1.26) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 THR OG1 : rot -76:sc= 1.13 USER MOD Single : A 34 THR OG1 : rot 93:sc= 0.47 USER MOD Single : A 36 GLN : amide:sc= 0.091 X(o=0.091,f=-0.18) USER MOD Single : A 44 TYR OH : rot -122:sc= -1.85 USER MOD Single : A 45 LYS NZ :NH3+ 158:sc= 0.392 (180deg=0.199) USER MOD Single : A 53 GLN : amide:sc= 0.457 K(o=0.46,f=-0.12) USER MOD Single : A 55 LYS NZ :NH3+ 175:sc= -0.243 (180deg=-0.303) USER MOD Single : A 57 GLN : amide:sc= -2.73! K(o=-2.7!,f=-2) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 CYS SG : rot -49:sc= -1.4 USER MOD Single : A 62 SER OG : rot -170:sc= 0.312 USER MOD Single : A 63 CYS SG : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 66 SER OG : rot 180:sc= -0.196 USER MOD Single : A 69 THR OG1 : rot 78:sc= 0.81 USER MOD Single : A 76 ASN : amide:sc= -1.52! K(o=-1.5!,f=-0.013) USER MOD Single : A 77 MET CE :methyl 152:sc= -3.07! (180deg=-3.88!) USER MOD Single : A 81 TYR OH : rot 180:sc= 0.71 USER MOD Single : A 96 SER OG : rot 180:sc= -0.0902 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 5.753 26.978 31.410 1.00 1.04 N ATOM 2 CA MET A 1 4.953 27.164 30.162 1.00 42.24 C ATOM 3 C MET A 1 5.870 27.252 28.922 1.00 73.15 C ATOM 4 O MET A 1 5.386 27.227 27.778 1.00 35.51 O ATOM 5 CB MET A 1 4.046 28.427 30.262 1.00 24.12 C ATOM 6 CG MET A 1 4.798 29.763 30.256 1.00 40.42 C ATOM 7 SD MET A 1 3.684 31.185 30.256 1.00 10.21 S ATOM 8 CE MET A 1 4.828 32.555 30.050 1.00 43.02 C ATOM 0 H1 MET A 1 5.111 26.871 32.221 1.00 1.04 H new ATOM 0 H2 MET A 1 6.343 26.126 31.321 1.00 1.04 H new ATOM 0 H3 MET A 1 6.363 27.807 31.558 1.00 1.04 H new ATOM 0 HA MET A 1 4.310 26.291 30.048 1.00 42.24 H new ATOM 0 HB2 MET A 1 3.343 28.419 29.429 1.00 24.12 H new ATOM 0 HB3 MET A 1 3.457 28.362 31.177 1.00 24.12 H new ATOM 0 HG2 MET A 1 5.447 29.814 31.130 1.00 40.42 H new ATOM 0 HG3 MET A 1 5.442 29.810 29.378 1.00 40.42 H new ATOM 0 HE1 MET A 1 4.273 33.493 30.033 1.00 43.02 H new ATOM 0 HE2 MET A 1 5.535 32.566 30.879 1.00 43.02 H new ATOM 0 HE3 MET A 1 5.371 32.438 29.112 1.00 43.02 H new ATOM 20 N GLY A 2 7.196 27.361 29.160 1.00 32.32 N ATOM 21 CA GLY A 2 8.184 27.414 28.092 1.00 5.33 C ATOM 22 C GLY A 2 8.382 26.053 27.439 1.00 33.24 C ATOM 23 O GLY A 2 9.144 25.221 27.956 1.00 44.54 O ATOM 0 H GLY A 2 7.596 27.413 30.097 1.00 32.32 H new ATOM 0 HA2 GLY A 2 7.868 28.136 27.339 1.00 5.33 H new ATOM 0 HA3 GLY A 2 9.134 27.767 28.493 1.00 5.33 H new ATOM 27 N HIS A 3 7.663 25.804 26.323 1.00 24.15 N ATOM 28 CA HIS A 3 7.786 24.550 25.552 1.00 20.33 C ATOM 29 C HIS A 3 7.478 24.795 24.060 1.00 21.41 C ATOM 30 O HIS A 3 6.400 24.458 23.558 1.00 10.15 O ATOM 31 CB HIS A 3 6.923 23.390 26.168 1.00 35.23 C ATOM 32 CG HIS A 3 5.426 23.622 26.233 1.00 23.20 C ATOM 33 ND1 HIS A 3 4.555 23.207 25.243 1.00 31.10 N ATOM 34 CD2 HIS A 3 4.650 24.203 27.180 1.00 22.11 C ATOM 35 CE1 HIS A 3 3.322 23.521 25.578 1.00 72.32 C ATOM 36 NE2 HIS A 3 3.354 24.128 26.747 1.00 21.34 N ATOM 0 H HIS A 3 6.987 26.461 25.935 1.00 24.15 H new ATOM 0 HA HIS A 3 8.821 24.215 25.618 1.00 20.33 H new ATOM 0 HB2 HIS A 3 7.103 22.485 25.587 1.00 35.23 H new ATOM 0 HB3 HIS A 3 7.283 23.197 27.179 1.00 35.23 H new ATOM 0 HD2 HIS A 3 4.991 24.644 28.105 1.00 22.11 H new ATOM 0 HE1 HIS A 3 2.436 23.316 24.995 1.00 72.32 H new ATOM 0 HE2 HIS A 3 2.542 24.485 27.250 1.00 21.34 H new ATOM 45 N HIS A 4 8.427 25.460 23.379 1.00 43.44 N ATOM 46 CA HIS A 4 8.419 25.632 21.914 1.00 41.30 C ATOM 47 C HIS A 4 9.748 26.262 21.492 1.00 50.13 C ATOM 48 O HIS A 4 9.920 27.476 21.614 1.00 43.43 O ATOM 49 CB HIS A 4 7.229 26.504 21.414 1.00 3.30 C ATOM 50 CG HIS A 4 7.105 26.561 19.909 1.00 1.35 C ATOM 51 ND1 HIS A 4 7.483 27.649 19.151 1.00 44.22 N ATOM 52 CD2 HIS A 4 6.644 25.638 19.026 1.00 1.33 C ATOM 53 CE1 HIS A 4 7.262 27.394 17.874 1.00 20.21 C ATOM 54 NE2 HIS A 4 6.756 26.181 17.775 1.00 41.15 N ATOM 0 H HIS A 4 9.229 25.898 23.833 1.00 43.44 H new ATOM 0 HA HIS A 4 8.293 24.650 21.459 1.00 41.30 H new ATOM 0 HB2 HIS A 4 6.302 26.110 21.831 1.00 3.30 H new ATOM 0 HB3 HIS A 4 7.347 27.517 21.798 1.00 3.30 H new ATOM 0 HD2 HIS A 4 6.260 24.658 19.266 1.00 1.33 H new ATOM 0 HE1 HIS A 4 7.462 28.065 17.052 1.00 20.21 H new ATOM 0 HE2 HIS A 4 6.490 25.720 16.905 1.00 41.15 H new ATOM 63 N HIS A 5 10.693 25.430 21.031 1.00 53.20 N ATOM 64 CA HIS A 5 12.010 25.896 20.563 1.00 13.30 C ATOM 65 C HIS A 5 11.923 26.241 19.068 1.00 0.32 C ATOM 66 O HIS A 5 11.799 25.339 18.233 1.00 1.21 O ATOM 67 CB HIS A 5 13.097 24.815 20.819 1.00 64.05 C ATOM 68 CG HIS A 5 14.502 25.305 20.595 1.00 41.52 C ATOM 69 ND1 HIS A 5 15.156 26.111 21.498 1.00 25.24 N ATOM 70 CD2 HIS A 5 15.362 25.125 19.567 1.00 53.14 C ATOM 71 CE1 HIS A 5 16.349 26.408 21.037 1.00 34.33 C ATOM 72 NE2 HIS A 5 16.500 25.822 19.867 1.00 22.25 N ATOM 0 H HIS A 5 10.569 24.419 20.971 1.00 53.20 H new ATOM 0 HA HIS A 5 12.295 26.789 21.119 1.00 13.30 H new ATOM 0 HB2 HIS A 5 13.006 24.456 21.844 1.00 64.05 H new ATOM 0 HB3 HIS A 5 12.910 23.963 20.166 1.00 64.05 H new ATOM 0 HD2 HIS A 5 15.184 24.541 18.676 1.00 53.14 H new ATOM 0 HE1 HIS A 5 17.082 27.027 21.533 1.00 34.33 H new ATOM 0 HE2 HIS A 5 17.332 25.879 19.279 1.00 22.25 H new ATOM 81 N HIS A 6 11.953 27.548 18.738 1.00 40.13 N ATOM 82 CA HIS A 6 11.927 28.006 17.335 1.00 73.35 C ATOM 83 C HIS A 6 13.342 27.895 16.734 1.00 61.30 C ATOM 84 O HIS A 6 14.345 28.051 17.445 1.00 33.22 O ATOM 85 CB HIS A 6 11.345 29.446 17.215 1.00 33.11 C ATOM 86 CG HIS A 6 12.253 30.586 17.633 1.00 52.21 C ATOM 87 ND1 HIS A 6 12.498 31.677 16.823 1.00 10.40 N ATOM 88 CD2 HIS A 6 12.936 30.826 18.780 1.00 74.45 C ATOM 89 CE1 HIS A 6 13.284 32.525 17.450 1.00 45.14 C ATOM 90 NE2 HIS A 6 13.563 32.033 18.642 1.00 32.33 N ATOM 0 H HIS A 6 11.995 28.303 19.423 1.00 40.13 H new ATOM 0 HA HIS A 6 11.260 27.363 16.761 1.00 73.35 H new ATOM 0 HB2 HIS A 6 11.051 29.608 16.178 1.00 33.11 H new ATOM 0 HB3 HIS A 6 10.437 29.497 17.816 1.00 33.11 H new ATOM 0 HD2 HIS A 6 12.977 30.181 19.645 1.00 74.45 H new ATOM 0 HE1 HIS A 6 13.641 33.465 17.056 1.00 45.14 H new ATOM 0 HE2 HIS A 6 14.151 32.480 19.346 1.00 32.33 H new ATOM 99 N HIS A 7 13.411 27.604 15.427 1.00 41.41 N ATOM 100 CA HIS A 7 14.671 27.258 14.733 1.00 73.24 C ATOM 101 C HIS A 7 14.979 28.257 13.605 1.00 22.51 C ATOM 102 O HIS A 7 14.073 28.897 13.062 1.00 15.25 O ATOM 103 CB HIS A 7 14.565 25.826 14.146 1.00 33.21 C ATOM 104 CG HIS A 7 14.364 24.738 15.174 1.00 23.23 C ATOM 105 ND1 HIS A 7 13.147 24.140 15.418 1.00 22.30 N ATOM 106 CD2 HIS A 7 15.246 24.133 16.006 1.00 3.21 C ATOM 107 CE1 HIS A 7 13.291 23.221 16.352 1.00 61.30 C ATOM 108 NE2 HIS A 7 14.557 23.196 16.730 1.00 11.45 N ATOM 0 H HIS A 7 12.595 27.601 14.815 1.00 41.41 H new ATOM 0 HA HIS A 7 15.483 27.303 15.458 1.00 73.24 H new ATOM 0 HB2 HIS A 7 13.736 25.798 13.439 1.00 33.21 H new ATOM 0 HB3 HIS A 7 15.472 25.611 13.581 1.00 33.21 H new ATOM 0 HD2 HIS A 7 16.301 24.350 16.084 1.00 3.21 H new ATOM 0 HE1 HIS A 7 12.505 22.593 16.743 1.00 61.30 H new ATOM 0 HE2 HIS A 7 14.954 22.582 17.441 1.00 11.45 H new ATOM 117 N HIS A 8 16.283 28.393 13.285 1.00 23.14 N ATOM 118 CA HIS A 8 16.770 29.140 12.104 1.00 1.35 C ATOM 119 C HIS A 8 17.197 28.157 10.999 1.00 53.15 C ATOM 120 O HIS A 8 16.798 28.320 9.842 1.00 41.23 O ATOM 121 CB HIS A 8 17.944 30.096 12.474 1.00 71.54 C ATOM 122 CG HIS A 8 17.517 31.397 13.114 1.00 5.31 C ATOM 123 ND1 HIS A 8 17.962 32.625 12.675 1.00 5.51 N ATOM 124 CD2 HIS A 8 16.681 31.656 14.148 1.00 71.41 C ATOM 125 CE1 HIS A 8 17.421 33.577 13.406 1.00 73.11 C ATOM 126 NE2 HIS A 8 16.637 33.015 14.308 1.00 20.43 N ATOM 0 H HIS A 8 17.034 27.985 13.842 1.00 23.14 H new ATOM 0 HA HIS A 8 15.952 29.758 11.734 1.00 1.35 H new ATOM 0 HB2 HIS A 8 18.619 29.576 13.154 1.00 71.54 H new ATOM 0 HB3 HIS A 8 18.512 30.320 11.571 1.00 71.54 H new ATOM 0 HD2 HIS A 8 16.147 30.925 14.738 1.00 71.41 H new ATOM 0 HE1 HIS A 8 17.590 34.637 13.288 1.00 73.11 H new ATOM 0 HE2 HIS A 8 16.088 33.512 15.009 1.00 20.43 H new ATOM 135 N SER A 9 17.997 27.134 11.360 1.00 72.12 N ATOM 136 CA SER A 9 18.505 26.140 10.391 1.00 52.44 C ATOM 137 C SER A 9 17.409 25.096 10.051 1.00 52.21 C ATOM 138 O SER A 9 17.346 24.015 10.650 1.00 2.12 O ATOM 139 CB SER A 9 19.798 25.472 10.933 1.00 33.14 C ATOM 140 OG SER A 9 19.597 24.911 12.221 1.00 53.14 O ATOM 0 H SER A 9 18.307 26.974 12.319 1.00 72.12 H new ATOM 0 HA SER A 9 18.762 26.649 9.462 1.00 52.44 H new ATOM 0 HB2 SER A 9 20.122 24.693 10.243 1.00 33.14 H new ATOM 0 HB3 SER A 9 20.598 26.211 10.978 1.00 33.14 H new ATOM 0 HG SER A 9 18.794 24.349 12.211 1.00 53.14 H new ATOM 146 N HIS A 10 16.517 25.472 9.112 1.00 12.15 N ATOM 147 CA HIS A 10 15.424 24.616 8.616 1.00 65.42 C ATOM 148 C HIS A 10 15.940 23.848 7.383 1.00 14.25 C ATOM 149 O HIS A 10 15.962 24.393 6.273 1.00 41.23 O ATOM 150 CB HIS A 10 14.181 25.493 8.275 1.00 12.12 C ATOM 151 CG HIS A 10 12.956 24.735 7.804 1.00 52.33 C ATOM 152 ND1 HIS A 10 11.955 24.326 8.656 1.00 63.35 N ATOM 153 CD2 HIS A 10 12.561 24.347 6.565 1.00 41.12 C ATOM 154 CE1 HIS A 10 11.006 23.727 7.970 1.00 72.04 C ATOM 155 NE2 HIS A 10 11.349 23.729 6.696 1.00 35.34 N ATOM 0 H HIS A 10 16.537 26.392 8.672 1.00 12.15 H new ATOM 0 HA HIS A 10 15.114 23.898 9.375 1.00 65.42 H new ATOM 0 HB2 HIS A 10 13.912 26.070 9.160 1.00 12.12 H new ATOM 0 HB3 HIS A 10 14.464 26.208 7.502 1.00 12.12 H new ATOM 0 HD2 HIS A 10 13.105 24.499 5.644 1.00 41.12 H new ATOM 0 HE1 HIS A 10 10.100 23.305 8.380 1.00 72.04 H new ATOM 0 HE2 HIS A 10 10.799 23.334 5.933 1.00 35.34 H new ATOM 164 N MET A 11 16.402 22.607 7.604 1.00 51.20 N ATOM 165 CA MET A 11 16.977 21.748 6.548 1.00 33.21 C ATOM 166 C MET A 11 15.881 21.207 5.616 1.00 30.52 C ATOM 167 O MET A 11 14.687 21.233 5.954 1.00 33.43 O ATOM 168 CB MET A 11 17.763 20.561 7.181 1.00 32.53 C ATOM 169 CG MET A 11 18.971 20.963 8.040 1.00 3.13 C ATOM 170 SD MET A 11 19.799 19.525 8.761 1.00 53.04 S ATOM 171 CE MET A 11 21.163 20.279 9.645 1.00 42.43 C ATOM 0 H MET A 11 16.389 22.166 8.524 1.00 51.20 H new ATOM 0 HA MET A 11 17.662 22.358 5.959 1.00 33.21 H new ATOM 0 HB2 MET A 11 17.077 19.979 7.796 1.00 32.53 H new ATOM 0 HB3 MET A 11 18.108 19.906 6.381 1.00 32.53 H new ATOM 0 HG2 MET A 11 19.680 21.521 7.429 1.00 3.13 H new ATOM 0 HG3 MET A 11 18.643 21.630 8.837 1.00 3.13 H new ATOM 0 HE1 MET A 11 21.753 19.504 10.134 1.00 42.43 H new ATOM 0 HE2 MET A 11 21.793 20.826 8.944 1.00 42.43 H new ATOM 0 HE3 MET A 11 20.774 20.967 10.396 1.00 42.43 H new ATOM 181 N GLY A 12 16.314 20.707 4.446 1.00 42.51 N ATOM 182 CA GLY A 12 15.424 20.050 3.485 1.00 40.13 C ATOM 183 C GLY A 12 15.053 18.622 3.881 1.00 13.40 C ATOM 184 O GLY A 12 14.312 17.950 3.154 1.00 61.43 O ATOM 0 H GLY A 12 17.288 20.749 4.145 1.00 42.51 H new ATOM 0 HA2 GLY A 12 14.513 20.639 3.383 1.00 40.13 H new ATOM 0 HA3 GLY A 12 15.905 20.035 2.507 1.00 40.13 H new ATOM 188 N SER A 13 15.589 18.159 5.027 1.00 54.22 N ATOM 189 CA SER A 13 15.282 16.845 5.607 1.00 23.42 C ATOM 190 C SER A 13 13.862 16.834 6.196 1.00 31.23 C ATOM 191 O SER A 13 13.665 16.975 7.411 1.00 73.14 O ATOM 192 CB SER A 13 16.344 16.506 6.668 1.00 72.21 C ATOM 193 OG SER A 13 17.651 16.608 6.133 1.00 21.03 O ATOM 0 H SER A 13 16.256 18.697 5.580 1.00 54.22 H new ATOM 0 HA SER A 13 15.310 16.081 4.831 1.00 23.42 H new ATOM 0 HB2 SER A 13 16.242 17.181 7.518 1.00 72.21 H new ATOM 0 HB3 SER A 13 16.179 15.496 7.042 1.00 72.21 H new ATOM 0 HG SER A 13 18.307 16.389 6.828 1.00 21.03 H new ATOM 199 N GLU A 14 12.877 16.705 5.302 1.00 44.22 N ATOM 200 CA GLU A 14 11.453 16.815 5.627 1.00 13.14 C ATOM 201 C GLU A 14 10.656 15.739 4.881 1.00 75.24 C ATOM 202 O GLU A 14 11.097 15.208 3.849 1.00 21.11 O ATOM 203 CB GLU A 14 10.918 18.225 5.223 1.00 25.24 C ATOM 204 CG GLU A 14 11.595 19.408 5.941 1.00 34.22 C ATOM 205 CD GLU A 14 11.112 20.767 5.417 1.00 70.24 C ATOM 206 OE1 GLU A 14 9.997 21.194 5.794 1.00 62.51 O ATOM 207 OE2 GLU A 14 11.842 21.423 4.637 1.00 4.43 O ATOM 0 H GLU A 14 13.051 16.518 4.315 1.00 44.22 H new ATOM 0 HA GLU A 14 11.331 16.675 6.701 1.00 13.14 H new ATOM 0 HB2 GLU A 14 11.045 18.351 4.148 1.00 25.24 H new ATOM 0 HB3 GLU A 14 9.847 18.262 5.424 1.00 25.24 H new ATOM 0 HG2 GLU A 14 11.395 19.343 7.010 1.00 34.22 H new ATOM 0 HG3 GLU A 14 12.675 19.336 5.814 1.00 34.22 H new ATOM 214 N GLU A 15 9.490 15.422 5.434 1.00 23.22 N ATOM 215 CA GLU A 15 8.413 14.715 4.734 1.00 11.14 C ATOM 216 C GLU A 15 7.085 15.257 5.277 1.00 63.34 C ATOM 217 O GLU A 15 6.954 15.504 6.491 1.00 72.14 O ATOM 218 CB GLU A 15 8.501 13.154 4.874 1.00 23.42 C ATOM 219 CG GLU A 15 8.276 12.566 6.289 1.00 34.11 C ATOM 220 CD GLU A 15 9.373 12.942 7.297 1.00 61.42 C ATOM 221 OE1 GLU A 15 10.468 12.342 7.245 1.00 13.24 O ATOM 222 OE2 GLU A 15 9.150 13.839 8.139 1.00 15.03 O ATOM 0 H GLU A 15 9.258 15.652 6.400 1.00 23.22 H new ATOM 0 HA GLU A 15 8.501 14.900 3.663 1.00 11.14 H new ATOM 0 HB2 GLU A 15 7.767 12.711 4.201 1.00 23.42 H new ATOM 0 HB3 GLU A 15 9.484 12.837 4.527 1.00 23.42 H new ATOM 0 HG2 GLU A 15 7.314 12.911 6.667 1.00 34.11 H new ATOM 0 HG3 GLU A 15 8.219 11.480 6.216 1.00 34.11 H new ATOM 229 N ASP A 16 6.124 15.492 4.379 1.00 72.30 N ATOM 230 CA ASP A 16 4.812 16.031 4.747 1.00 21.33 C ATOM 231 C ASP A 16 4.047 14.983 5.561 1.00 24.02 C ATOM 232 O ASP A 16 3.593 13.976 5.014 1.00 64.12 O ATOM 233 CB ASP A 16 4.023 16.456 3.483 1.00 23.33 C ATOM 234 CG ASP A 16 4.763 17.511 2.643 1.00 44.43 C ATOM 235 OD1 ASP A 16 4.600 18.724 2.904 1.00 54.41 O ATOM 236 OD2 ASP A 16 5.533 17.133 1.729 1.00 62.45 O ATOM 0 H ASP A 16 6.233 15.315 3.380 1.00 72.30 H new ATOM 0 HA ASP A 16 4.942 16.922 5.361 1.00 21.33 H new ATOM 0 HB2 ASP A 16 3.832 15.577 2.867 1.00 23.33 H new ATOM 0 HB3 ASP A 16 3.053 16.852 3.782 1.00 23.33 H new ATOM 241 N ASP A 17 3.949 15.229 6.883 1.00 72.12 N ATOM 242 CA ASP A 17 3.263 14.333 7.831 1.00 74.41 C ATOM 243 C ASP A 17 1.771 14.190 7.472 1.00 24.21 C ATOM 244 O ASP A 17 1.148 13.207 7.849 1.00 23.31 O ATOM 245 CB ASP A 17 3.422 14.846 9.287 1.00 54.42 C ATOM 246 CG ASP A 17 2.699 16.186 9.547 1.00 33.24 C ATOM 247 OD1 ASP A 17 3.158 17.226 9.023 1.00 72.24 O ATOM 248 OD2 ASP A 17 1.669 16.207 10.261 1.00 41.35 O ATOM 0 H ASP A 17 4.346 16.059 7.323 1.00 72.12 H new ATOM 0 HA ASP A 17 3.728 13.350 7.759 1.00 74.41 H new ATOM 0 HB2 ASP A 17 3.035 14.093 9.974 1.00 54.42 H new ATOM 0 HB3 ASP A 17 4.483 14.965 9.509 1.00 54.42 H new ATOM 253 N GLY A 18 1.230 15.192 6.744 1.00 35.41 N ATOM 254 CA GLY A 18 -0.128 15.138 6.211 1.00 52.21 C ATOM 255 C GLY A 18 -0.277 14.109 5.092 1.00 33.11 C ATOM 256 O GLY A 18 -1.281 13.394 5.038 1.00 4.42 O ATOM 0 H GLY A 18 1.729 16.052 6.516 1.00 35.41 H new ATOM 0 HA2 GLY A 18 -0.822 14.897 7.017 1.00 52.21 H new ATOM 0 HA3 GLY A 18 -0.406 16.122 5.834 1.00 52.21 H new ATOM 260 N VAL A 19 0.740 14.039 4.201 1.00 71.51 N ATOM 261 CA VAL A 19 0.819 13.016 3.141 1.00 53.22 C ATOM 262 C VAL A 19 0.928 11.624 3.775 1.00 42.44 C ATOM 263 O VAL A 19 0.149 10.735 3.450 1.00 42.24 O ATOM 264 CB VAL A 19 2.031 13.268 2.153 1.00 25.30 C ATOM 265 CG1 VAL A 19 2.280 12.063 1.200 1.00 34.31 C ATOM 266 CG2 VAL A 19 1.806 14.560 1.331 1.00 3.20 C ATOM 0 H VAL A 19 1.525 14.690 4.200 1.00 71.51 H new ATOM 0 HA VAL A 19 -0.094 13.080 2.549 1.00 53.22 H new ATOM 0 HB VAL A 19 2.922 13.385 2.770 1.00 25.30 H new ATOM 0 HG11 VAL A 19 3.121 12.286 0.543 1.00 34.31 H new ATOM 0 HG12 VAL A 19 2.505 11.174 1.789 1.00 34.31 H new ATOM 0 HG13 VAL A 19 1.388 11.884 0.599 1.00 34.31 H new ATOM 0 HG21 VAL A 19 2.650 14.715 0.659 1.00 3.20 H new ATOM 0 HG22 VAL A 19 0.890 14.465 0.748 1.00 3.20 H new ATOM 0 HG23 VAL A 19 1.720 15.411 2.007 1.00 3.20 H new ATOM 276 N VAL A 20 1.877 11.482 4.716 1.00 12.43 N ATOM 277 CA VAL A 20 2.140 10.223 5.449 1.00 65.31 C ATOM 278 C VAL A 20 0.869 9.742 6.192 1.00 71.20 C ATOM 279 O VAL A 20 0.521 8.547 6.145 1.00 50.13 O ATOM 280 CB VAL A 20 3.342 10.418 6.459 1.00 75.23 C ATOM 281 CG1 VAL A 20 3.601 9.154 7.320 1.00 52.21 C ATOM 282 CG2 VAL A 20 4.631 10.833 5.694 1.00 45.02 C ATOM 0 H VAL A 20 2.493 12.246 4.995 1.00 12.43 H new ATOM 0 HA VAL A 20 2.416 9.455 4.727 1.00 65.31 H new ATOM 0 HB VAL A 20 3.061 11.218 7.144 1.00 75.23 H new ATOM 0 HG11 VAL A 20 4.435 9.339 7.996 1.00 52.21 H new ATOM 0 HG12 VAL A 20 2.708 8.920 7.900 1.00 52.21 H new ATOM 0 HG13 VAL A 20 3.841 8.313 6.669 1.00 52.21 H new ATOM 0 HG21 VAL A 20 5.449 10.963 6.403 1.00 45.02 H new ATOM 0 HG22 VAL A 20 4.894 10.056 4.976 1.00 45.02 H new ATOM 0 HG23 VAL A 20 4.455 11.771 5.167 1.00 45.02 H new ATOM 292 N ALA A 21 0.159 10.703 6.813 1.00 65.13 N ATOM 293 CA ALA A 21 -1.075 10.446 7.586 1.00 2.41 C ATOM 294 C ALA A 21 -2.204 9.949 6.681 1.00 14.23 C ATOM 295 O ALA A 21 -2.897 8.979 7.017 1.00 23.34 O ATOM 296 CB ALA A 21 -1.526 11.714 8.339 1.00 24.42 C ATOM 0 H ALA A 21 0.426 11.687 6.793 1.00 65.13 H new ATOM 0 HA ALA A 21 -0.848 9.666 8.313 1.00 2.41 H new ATOM 0 HB1 ALA A 21 -2.436 11.500 8.900 1.00 24.42 H new ATOM 0 HB2 ALA A 21 -0.741 12.027 9.027 1.00 24.42 H new ATOM 0 HB3 ALA A 21 -1.721 12.512 7.623 1.00 24.42 H new ATOM 302 N MET A 22 -2.379 10.615 5.519 1.00 52.11 N ATOM 303 CA MET A 22 -3.456 10.270 4.582 1.00 50.33 C ATOM 304 C MET A 22 -3.132 8.968 3.834 1.00 23.03 C ATOM 305 O MET A 22 -4.046 8.290 3.403 1.00 0.21 O ATOM 306 CB MET A 22 -3.796 11.426 3.597 1.00 12.42 C ATOM 307 CG MET A 22 -2.749 11.723 2.519 1.00 21.03 C ATOM 308 SD MET A 22 -3.326 12.920 1.288 1.00 62.44 S ATOM 309 CE MET A 22 -4.733 12.076 0.558 1.00 23.42 C ATOM 0 H MET A 22 -1.789 11.389 5.214 1.00 52.11 H new ATOM 0 HA MET A 22 -4.354 10.109 5.178 1.00 50.33 H new ATOM 0 HB2 MET A 22 -4.739 11.190 3.104 1.00 12.42 H new ATOM 0 HB3 MET A 22 -3.958 12.334 4.177 1.00 12.42 H new ATOM 0 HG2 MET A 22 -1.845 12.104 2.993 1.00 21.03 H new ATOM 0 HG3 MET A 22 -2.478 10.794 2.017 1.00 21.03 H new ATOM 0 HE1 MET A 22 -4.628 12.064 -0.527 1.00 23.42 H new ATOM 0 HE2 MET A 22 -4.776 11.052 0.929 1.00 23.42 H new ATOM 0 HE3 MET A 22 -5.651 12.599 0.828 1.00 23.42 H new ATOM 319 N ILE A 23 -1.833 8.609 3.699 1.00 65.14 N ATOM 320 CA ILE A 23 -1.442 7.291 3.164 1.00 72.53 C ATOM 321 C ILE A 23 -1.963 6.205 4.112 1.00 23.44 C ATOM 322 O ILE A 23 -2.620 5.268 3.664 1.00 75.11 O ATOM 323 CB ILE A 23 0.118 7.128 2.962 1.00 22.22 C ATOM 324 CG1 ILE A 23 0.646 8.098 1.862 1.00 41.42 C ATOM 325 CG2 ILE A 23 0.496 5.664 2.608 1.00 42.02 C ATOM 326 CD1 ILE A 23 2.155 8.080 1.649 1.00 61.52 C ATOM 0 H ILE A 23 -1.048 9.210 3.951 1.00 65.14 H new ATOM 0 HA ILE A 23 -1.885 7.196 2.173 1.00 72.53 H new ATOM 0 HB ILE A 23 0.593 7.383 3.909 1.00 22.22 H new ATOM 0 HG12 ILE A 23 0.159 7.851 0.919 1.00 41.42 H new ATOM 0 HG13 ILE A 23 0.344 9.113 2.120 1.00 41.42 H new ATOM 0 HG21 ILE A 23 1.575 5.589 2.476 1.00 42.02 H new ATOM 0 HG22 ILE A 23 0.182 5.002 3.415 1.00 42.02 H new ATOM 0 HG23 ILE A 23 -0.004 5.372 1.684 1.00 42.02 H new ATOM 0 HD11 ILE A 23 2.420 8.788 0.864 1.00 61.52 H new ATOM 0 HD12 ILE A 23 2.657 8.360 2.575 1.00 61.52 H new ATOM 0 HD13 ILE A 23 2.469 7.078 1.355 1.00 61.52 H new ATOM 338 N LYS A 24 -1.710 6.391 5.428 1.00 74.14 N ATOM 339 CA LYS A 24 -2.150 5.447 6.481 1.00 4.31 C ATOM 340 C LYS A 24 -3.673 5.210 6.444 1.00 54.43 C ATOM 341 O LYS A 24 -4.122 4.064 6.581 1.00 52.01 O ATOM 342 CB LYS A 24 -1.742 5.956 7.887 1.00 21.31 C ATOM 343 CG LYS A 24 -0.226 6.090 8.112 1.00 12.13 C ATOM 344 CD LYS A 24 0.109 6.660 9.516 1.00 1.31 C ATOM 345 CE LYS A 24 1.614 6.881 9.706 1.00 35.11 C ATOM 346 NZ LYS A 24 1.955 7.428 11.043 1.00 1.23 N ATOM 0 H LYS A 24 -1.198 7.196 5.789 1.00 74.14 H new ATOM 0 HA LYS A 24 -1.651 4.499 6.280 1.00 4.31 H new ATOM 0 HB2 LYS A 24 -2.207 6.928 8.055 1.00 21.31 H new ATOM 0 HB3 LYS A 24 -2.147 5.275 8.636 1.00 21.31 H new ATOM 0 HG2 LYS A 24 0.245 5.114 7.996 1.00 12.13 H new ATOM 0 HG3 LYS A 24 0.197 6.741 7.347 1.00 12.13 H new ATOM 0 HD2 LYS A 24 -0.416 7.605 9.658 1.00 1.31 H new ATOM 0 HD3 LYS A 24 -0.256 5.975 10.281 1.00 1.31 H new ATOM 0 HE2 LYS A 24 2.136 5.935 9.563 1.00 35.11 H new ATOM 0 HE3 LYS A 24 1.975 7.564 8.937 1.00 35.11 H new ATOM 0 HZ1 LYS A 24 2.985 7.556 11.113 1.00 1.23 H new ATOM 0 HZ2 LYS A 24 1.482 8.345 11.174 1.00 1.23 H new ATOM 0 HZ3 LYS A 24 1.637 6.767 11.780 1.00 1.23 H new ATOM 360 N GLU A 25 -4.461 6.296 6.235 1.00 23.51 N ATOM 361 CA GLU A 25 -5.933 6.201 6.210 1.00 3.32 C ATOM 362 C GLU A 25 -6.396 5.511 4.912 1.00 63.14 C ATOM 363 O GLU A 25 -7.246 4.647 4.967 1.00 43.44 O ATOM 364 CB GLU A 25 -6.630 7.591 6.398 1.00 4.11 C ATOM 365 CG GLU A 25 -6.778 8.460 5.129 1.00 45.21 C ATOM 366 CD GLU A 25 -7.427 9.826 5.396 1.00 62.01 C ATOM 367 OE1 GLU A 25 -6.712 10.760 5.809 1.00 71.25 O ATOM 368 OE2 GLU A 25 -8.657 9.954 5.227 1.00 42.42 O ATOM 0 H GLU A 25 -4.100 7.238 6.083 1.00 23.51 H new ATOM 0 HA GLU A 25 -6.238 5.592 7.061 1.00 3.32 H new ATOM 0 HB2 GLU A 25 -7.623 7.422 6.815 1.00 4.11 H new ATOM 0 HB3 GLU A 25 -6.066 8.159 7.138 1.00 4.11 H new ATOM 0 HG2 GLU A 25 -5.794 8.614 4.687 1.00 45.21 H new ATOM 0 HG3 GLU A 25 -7.376 7.919 4.395 1.00 45.21 H new ATOM 375 N LEU A 26 -5.784 5.868 3.758 1.00 61.31 N ATOM 376 CA LEU A 26 -6.131 5.300 2.431 1.00 13.12 C ATOM 377 C LEU A 26 -5.845 3.792 2.387 1.00 11.32 C ATOM 378 O LEU A 26 -6.539 3.042 1.696 1.00 44.42 O ATOM 379 CB LEU A 26 -5.355 6.028 1.307 1.00 73.33 C ATOM 380 CG LEU A 26 -5.773 7.501 1.013 1.00 10.12 C ATOM 381 CD1 LEU A 26 -4.811 8.158 0.007 1.00 4.32 C ATOM 382 CD2 LEU A 26 -7.231 7.589 0.524 1.00 23.04 C ATOM 0 H LEU A 26 -5.035 6.559 3.720 1.00 61.31 H new ATOM 0 HA LEU A 26 -7.199 5.450 2.270 1.00 13.12 H new ATOM 0 HB2 LEU A 26 -4.296 6.019 1.563 1.00 73.33 H new ATOM 0 HB3 LEU A 26 -5.466 5.452 0.388 1.00 73.33 H new ATOM 0 HG LEU A 26 -5.709 8.053 1.951 1.00 10.12 H new ATOM 0 HD11 LEU A 26 -5.126 9.185 -0.180 1.00 4.32 H new ATOM 0 HD12 LEU A 26 -3.801 8.157 0.416 1.00 4.32 H new ATOM 0 HD13 LEU A 26 -4.825 7.598 -0.928 1.00 4.32 H new ATOM 0 HD21 LEU A 26 -7.487 8.630 0.329 1.00 23.04 H new ATOM 0 HD22 LEU A 26 -7.343 7.010 -0.393 1.00 23.04 H new ATOM 0 HD23 LEU A 26 -7.896 7.189 1.289 1.00 23.04 H new ATOM 394 N LEU A 27 -4.812 3.361 3.129 1.00 22.25 N ATOM 395 CA LEU A 27 -4.526 1.943 3.335 1.00 74.51 C ATOM 396 C LEU A 27 -5.653 1.324 4.173 1.00 64.21 C ATOM 397 O LEU A 27 -6.348 0.428 3.720 1.00 14.04 O ATOM 398 CB LEU A 27 -3.155 1.750 4.041 1.00 43.31 C ATOM 399 CG LEU A 27 -1.893 2.235 3.255 1.00 4.30 C ATOM 400 CD1 LEU A 27 -0.626 2.145 4.124 1.00 75.04 C ATOM 401 CD2 LEU A 27 -1.723 1.462 1.933 1.00 52.14 C ATOM 0 H LEU A 27 -4.158 3.987 3.598 1.00 22.25 H new ATOM 0 HA LEU A 27 -4.472 1.444 2.367 1.00 74.51 H new ATOM 0 HB2 LEU A 27 -3.186 2.275 4.996 1.00 43.31 H new ATOM 0 HB3 LEU A 27 -3.032 0.690 4.264 1.00 43.31 H new ATOM 0 HG LEU A 27 -2.046 3.284 3.003 1.00 4.30 H new ATOM 0 HD11 LEU A 27 0.234 2.489 3.550 1.00 75.04 H new ATOM 0 HD12 LEU A 27 -0.746 2.771 5.008 1.00 75.04 H new ATOM 0 HD13 LEU A 27 -0.468 1.111 4.430 1.00 75.04 H new ATOM 0 HD21 LEU A 27 -0.837 1.824 1.411 1.00 52.14 H new ATOM 0 HD22 LEU A 27 -1.611 0.399 2.145 1.00 52.14 H new ATOM 0 HD23 LEU A 27 -2.601 1.616 1.306 1.00 52.14 H new ATOM 413 N ASP A 28 -5.881 1.896 5.361 1.00 53.32 N ATOM 414 CA ASP A 28 -6.778 1.317 6.387 1.00 72.15 C ATOM 415 C ASP A 28 -8.244 1.224 5.917 1.00 65.32 C ATOM 416 O ASP A 28 -8.964 0.301 6.303 1.00 44.22 O ATOM 417 CB ASP A 28 -6.677 2.142 7.689 1.00 1.12 C ATOM 418 CG ASP A 28 -7.474 1.542 8.855 1.00 14.01 C ATOM 419 OD1 ASP A 28 -7.048 0.495 9.390 1.00 51.14 O ATOM 420 OD2 ASP A 28 -8.533 2.089 9.221 1.00 71.42 O ATOM 0 H ASP A 28 -5.451 2.776 5.646 1.00 53.32 H new ATOM 0 HA ASP A 28 -6.448 0.294 6.570 1.00 72.15 H new ATOM 0 HB2 ASP A 28 -5.629 2.223 7.979 1.00 1.12 H new ATOM 0 HB3 ASP A 28 -7.034 3.154 7.498 1.00 1.12 H new ATOM 425 N THR A 29 -8.661 2.172 5.067 1.00 52.23 N ATOM 426 CA THR A 29 -10.054 2.299 4.601 1.00 21.15 C ATOM 427 C THR A 29 -10.293 1.532 3.289 1.00 53.22 C ATOM 428 O THR A 29 -11.362 0.936 3.106 1.00 4.22 O ATOM 429 CB THR A 29 -10.434 3.809 4.403 1.00 10.24 C ATOM 430 OG1 THR A 29 -9.548 4.413 3.446 1.00 21.04 O ATOM 431 CG2 THR A 29 -10.374 4.597 5.729 1.00 62.35 C ATOM 0 H THR A 29 -8.038 2.880 4.678 1.00 52.23 H new ATOM 0 HA THR A 29 -10.690 1.861 5.371 1.00 21.15 H new ATOM 0 HB THR A 29 -11.460 3.845 4.038 1.00 10.24 H new ATOM 0 HG1 THR A 29 -8.681 4.589 3.868 1.00 21.04 H new ATOM 0 HG21 THR A 29 -10.644 5.637 5.547 1.00 62.35 H new ATOM 0 HG22 THR A 29 -11.072 4.161 6.443 1.00 62.35 H new ATOM 0 HG23 THR A 29 -9.363 4.550 6.135 1.00 62.35 H new ATOM 439 N ARG A 30 -9.296 1.552 2.380 1.00 12.33 N ATOM 440 CA ARG A 30 -9.428 0.956 1.027 1.00 64.13 C ATOM 441 C ARG A 30 -8.629 -0.352 0.889 1.00 62.30 C ATOM 442 O ARG A 30 -9.200 -1.402 0.579 1.00 12.55 O ATOM 443 CB ARG A 30 -8.974 1.961 -0.062 1.00 10.51 C ATOM 444 CG ARG A 30 -9.828 3.249 -0.169 1.00 43.03 C ATOM 445 CD ARG A 30 -9.445 4.107 -1.392 1.00 55.15 C ATOM 446 NE ARG A 30 -9.466 3.301 -2.638 1.00 62.15 N ATOM 447 CZ ARG A 30 -9.951 3.676 -3.833 1.00 31.13 C ATOM 448 NH1 ARG A 30 -10.487 4.865 -4.010 1.00 0.13 N ATOM 449 NH2 ARG A 30 -9.871 2.840 -4.851 1.00 0.42 N ATOM 0 H ARG A 30 -8.385 1.976 2.557 1.00 12.33 H new ATOM 0 HA ARG A 30 -10.483 0.722 0.887 1.00 64.13 H new ATOM 0 HB2 ARG A 30 -7.941 2.245 0.137 1.00 10.51 H new ATOM 0 HB3 ARG A 30 -8.986 1.455 -1.028 1.00 10.51 H new ATOM 0 HG2 ARG A 30 -10.882 2.979 -0.234 1.00 43.03 H new ATOM 0 HG3 ARG A 30 -9.705 3.840 0.739 1.00 43.03 H new ATOM 0 HD2 ARG A 30 -10.138 4.943 -1.485 1.00 55.15 H new ATOM 0 HD3 ARG A 30 -8.451 4.531 -1.246 1.00 55.15 H new ATOM 0 HE ARG A 30 -9.070 2.363 -2.581 1.00 62.15 H new ATOM 0 HH11 ARG A 30 -10.540 5.522 -3.231 1.00 0.13 H new ATOM 0 HH12 ARG A 30 -10.849 5.130 -4.926 1.00 0.13 H new ATOM 0 HH21 ARG A 30 -9.445 1.922 -4.725 1.00 0.42 H new ATOM 0 HH22 ARG A 30 -10.235 3.112 -5.764 1.00 0.42 H new ATOM 463 N ILE A 31 -7.306 -0.283 1.135 1.00 21.33 N ATOM 464 CA ILE A 31 -6.369 -1.379 0.792 1.00 14.21 C ATOM 465 C ILE A 31 -6.483 -2.543 1.788 1.00 63.31 C ATOM 466 O ILE A 31 -6.880 -3.634 1.394 1.00 5.51 O ATOM 467 CB ILE A 31 -4.884 -0.867 0.711 1.00 33.23 C ATOM 468 CG1 ILE A 31 -4.746 0.283 -0.333 1.00 73.44 C ATOM 469 CG2 ILE A 31 -3.900 -2.023 0.401 1.00 65.01 C ATOM 470 CD1 ILE A 31 -5.122 -0.086 -1.759 1.00 31.01 C ATOM 0 H ILE A 31 -6.858 0.522 1.572 1.00 21.33 H new ATOM 0 HA ILE A 31 -6.652 -1.745 -0.195 1.00 14.21 H new ATOM 0 HB ILE A 31 -4.620 -0.467 1.690 1.00 33.23 H new ATOM 0 HG12 ILE A 31 -5.371 1.118 -0.014 1.00 73.44 H new ATOM 0 HG13 ILE A 31 -3.715 0.636 -0.326 1.00 73.44 H new ATOM 0 HG21 ILE A 31 -2.884 -1.632 0.352 1.00 65.01 H new ATOM 0 HG22 ILE A 31 -3.963 -2.775 1.188 1.00 65.01 H new ATOM 0 HG23 ILE A 31 -4.161 -2.476 -0.555 1.00 65.01 H new ATOM 0 HD11 ILE A 31 -4.991 0.782 -2.406 1.00 31.01 H new ATOM 0 HD12 ILE A 31 -4.482 -0.897 -2.106 1.00 31.01 H new ATOM 0 HD13 ILE A 31 -6.163 -0.408 -1.789 1.00 31.01 H new ATOM 482 N ARG A 32 -6.143 -2.281 3.075 1.00 53.34 N ATOM 483 CA ARG A 32 -6.159 -3.286 4.167 1.00 20.03 C ATOM 484 C ARG A 32 -7.428 -4.194 4.156 1.00 50.40 C ATOM 485 O ARG A 32 -7.254 -5.400 4.153 1.00 14.43 O ATOM 486 CB ARG A 32 -5.989 -2.632 5.573 1.00 3.42 C ATOM 487 CG ARG A 32 -4.637 -1.923 5.823 1.00 72.12 C ATOM 488 CD ARG A 32 -4.440 -1.528 7.304 1.00 53.44 C ATOM 489 NE ARG A 32 -4.383 -2.727 8.166 1.00 55.33 N ATOM 490 CZ ARG A 32 -4.865 -2.844 9.417 1.00 40.54 C ATOM 491 NH1 ARG A 32 -5.464 -1.830 10.021 1.00 65.45 N ATOM 492 NH2 ARG A 32 -4.745 -3.996 10.055 1.00 24.41 N ATOM 0 H ARG A 32 -5.847 -1.356 3.387 1.00 53.34 H new ATOM 0 HA ARG A 32 -5.298 -3.925 3.970 1.00 20.03 H new ATOM 0 HB2 ARG A 32 -6.790 -1.907 5.716 1.00 3.42 H new ATOM 0 HB3 ARG A 32 -6.119 -3.404 6.331 1.00 3.42 H new ATOM 0 HG2 ARG A 32 -3.824 -2.580 5.514 1.00 72.12 H new ATOM 0 HG3 ARG A 32 -4.579 -1.030 5.201 1.00 72.12 H new ATOM 0 HD2 ARG A 32 -3.520 -0.953 7.412 1.00 53.44 H new ATOM 0 HD3 ARG A 32 -5.258 -0.883 7.625 1.00 53.44 H new ATOM 0 HE ARG A 32 -3.931 -3.552 7.772 1.00 55.33 H new ATOM 0 HH11 ARG A 32 -5.568 -0.938 9.538 1.00 65.45 H new ATOM 0 HH12 ARG A 32 -5.822 -1.941 10.970 1.00 65.45 H new ATOM 0 HH21 ARG A 32 -4.290 -4.787 9.599 1.00 24.41 H new ATOM 0 HH22 ARG A 32 -5.107 -4.094 11.003 1.00 24.41 H new ATOM 506 N PRO A 33 -8.712 -3.647 4.095 1.00 64.42 N ATOM 507 CA PRO A 33 -9.945 -4.491 3.999 1.00 14.31 C ATOM 508 C PRO A 33 -9.897 -5.510 2.838 1.00 12.21 C ATOM 509 O PRO A 33 -10.161 -6.696 3.041 1.00 73.01 O ATOM 510 CB PRO A 33 -11.079 -3.456 3.776 1.00 34.32 C ATOM 511 CG PRO A 33 -10.568 -2.198 4.397 1.00 30.24 C ATOM 512 CD PRO A 33 -9.079 -2.198 4.140 1.00 2.12 C ATOM 0 HA PRO A 33 -10.078 -5.104 4.890 1.00 14.31 H new ATOM 0 HB2 PRO A 33 -11.287 -3.318 2.715 1.00 34.32 H new ATOM 0 HB3 PRO A 33 -12.009 -3.780 4.244 1.00 34.32 H new ATOM 0 HG2 PRO A 33 -11.043 -1.321 3.956 1.00 30.24 H new ATOM 0 HG3 PRO A 33 -10.782 -2.172 5.465 1.00 30.24 H new ATOM 0 HD2 PRO A 33 -8.837 -1.697 3.203 1.00 2.12 H new ATOM 0 HD3 PRO A 33 -8.539 -1.675 4.929 1.00 2.12 H new ATOM 520 N THR A 34 -9.488 -5.026 1.649 1.00 74.35 N ATOM 521 CA THR A 34 -9.382 -5.837 0.423 1.00 72.05 C ATOM 522 C THR A 34 -8.358 -6.985 0.587 1.00 23.14 C ATOM 523 O THR A 34 -8.627 -8.131 0.204 1.00 23.42 O ATOM 524 CB THR A 34 -8.985 -4.918 -0.781 1.00 11.23 C ATOM 525 OG1 THR A 34 -9.968 -3.883 -0.932 1.00 14.25 O ATOM 526 CG2 THR A 34 -8.853 -5.677 -2.110 1.00 61.04 C ATOM 0 H THR A 34 -9.220 -4.051 1.513 1.00 74.35 H new ATOM 0 HA THR A 34 -10.353 -6.292 0.228 1.00 72.05 H new ATOM 0 HB THR A 34 -8.004 -4.504 -0.549 1.00 11.23 H new ATOM 0 HG1 THR A 34 -9.689 -3.091 -0.427 1.00 14.25 H new ATOM 0 HG21 THR A 34 -8.576 -4.980 -2.901 1.00 61.04 H new ATOM 0 HG22 THR A 34 -8.084 -6.444 -2.016 1.00 61.04 H new ATOM 0 HG23 THR A 34 -9.805 -6.146 -2.357 1.00 61.04 H new ATOM 534 N VAL A 35 -7.203 -6.657 1.196 1.00 13.00 N ATOM 535 CA VAL A 35 -6.099 -7.619 1.419 1.00 12.13 C ATOM 536 C VAL A 35 -6.470 -8.631 2.529 1.00 23.42 C ATOM 537 O VAL A 35 -6.038 -9.782 2.497 1.00 4.24 O ATOM 538 CB VAL A 35 -4.740 -6.888 1.769 1.00 51.11 C ATOM 539 CG1 VAL A 35 -3.538 -7.861 1.689 1.00 31.12 C ATOM 540 CG2 VAL A 35 -4.504 -5.675 0.842 1.00 34.41 C ATOM 0 H VAL A 35 -7.006 -5.720 1.548 1.00 13.00 H new ATOM 0 HA VAL A 35 -5.949 -8.161 0.485 1.00 12.13 H new ATOM 0 HB VAL A 35 -4.822 -6.529 2.795 1.00 51.11 H new ATOM 0 HG11 VAL A 35 -2.620 -7.327 1.935 1.00 31.12 H new ATOM 0 HG12 VAL A 35 -3.683 -8.678 2.396 1.00 31.12 H new ATOM 0 HG13 VAL A 35 -3.463 -8.265 0.679 1.00 31.12 H new ATOM 0 HG21 VAL A 35 -3.563 -5.193 1.106 1.00 34.41 H new ATOM 0 HG22 VAL A 35 -4.461 -6.012 -0.194 1.00 34.41 H new ATOM 0 HG23 VAL A 35 -5.321 -4.963 0.959 1.00 34.41 H new ATOM 550 N GLN A 36 -7.305 -8.188 3.492 1.00 45.34 N ATOM 551 CA GLN A 36 -7.809 -9.043 4.590 1.00 1.13 C ATOM 552 C GLN A 36 -8.887 -10.022 4.075 1.00 65.54 C ATOM 553 O GLN A 36 -9.092 -11.090 4.661 1.00 22.03 O ATOM 554 CB GLN A 36 -8.345 -8.176 5.764 1.00 15.43 C ATOM 555 CG GLN A 36 -7.256 -7.385 6.530 1.00 52.32 C ATOM 556 CD GLN A 36 -7.803 -6.418 7.592 1.00 72.41 C ATOM 557 OE1 GLN A 36 -8.859 -6.653 8.184 1.00 3.33 O ATOM 558 NE2 GLN A 36 -7.085 -5.328 7.837 1.00 70.43 N ATOM 0 H GLN A 36 -7.649 -7.229 3.531 1.00 45.34 H new ATOM 0 HA GLN A 36 -6.977 -9.637 4.969 1.00 1.13 H new ATOM 0 HB2 GLN A 36 -9.079 -7.472 5.373 1.00 15.43 H new ATOM 0 HB3 GLN A 36 -8.868 -8.824 6.468 1.00 15.43 H new ATOM 0 HG2 GLN A 36 -6.582 -8.093 7.013 1.00 52.32 H new ATOM 0 HG3 GLN A 36 -6.662 -6.819 5.812 1.00 52.32 H new ATOM 0 HE21 GLN A 36 -6.216 -5.165 7.329 1.00 70.43 H new ATOM 0 HE22 GLN A 36 -7.403 -4.654 8.534 1.00 70.43 H new ATOM 567 N GLU A 37 -9.579 -9.642 2.976 1.00 43.14 N ATOM 568 CA GLU A 37 -10.486 -10.550 2.232 1.00 34.12 C ATOM 569 C GLU A 37 -9.653 -11.557 1.411 1.00 52.12 C ATOM 570 O GLU A 37 -10.065 -12.702 1.198 1.00 13.40 O ATOM 571 CB GLU A 37 -11.421 -9.742 1.287 1.00 43.02 C ATOM 572 CG GLU A 37 -12.389 -8.782 2.004 1.00 24.35 C ATOM 573 CD GLU A 37 -13.226 -7.918 1.041 1.00 14.22 C ATOM 574 OE1 GLU A 37 -12.679 -6.956 0.455 1.00 5.41 O ATOM 575 OE2 GLU A 37 -14.433 -8.194 0.865 1.00 5.43 O ATOM 0 H GLU A 37 -9.526 -8.703 2.581 1.00 43.14 H new ATOM 0 HA GLU A 37 -11.105 -11.089 2.950 1.00 34.12 H new ATOM 0 HB2 GLU A 37 -10.806 -9.166 0.595 1.00 43.02 H new ATOM 0 HB3 GLU A 37 -12.003 -10.443 0.688 1.00 43.02 H new ATOM 0 HG2 GLU A 37 -13.061 -9.362 2.636 1.00 24.35 H new ATOM 0 HG3 GLU A 37 -11.818 -8.128 2.663 1.00 24.35 H new ATOM 582 N ASP A 38 -8.476 -11.093 0.952 1.00 63.15 N ATOM 583 CA ASP A 38 -7.523 -11.906 0.174 1.00 54.21 C ATOM 584 C ASP A 38 -6.755 -12.892 1.089 1.00 32.43 C ATOM 585 O ASP A 38 -6.230 -13.909 0.622 1.00 22.52 O ATOM 586 CB ASP A 38 -6.556 -10.955 -0.581 1.00 74.55 C ATOM 587 CG ASP A 38 -5.679 -11.664 -1.619 1.00 21.33 C ATOM 588 OD1 ASP A 38 -6.169 -11.933 -2.732 1.00 4.41 O ATOM 589 OD2 ASP A 38 -4.507 -11.955 -1.332 1.00 10.33 O ATOM 0 H ASP A 38 -8.158 -10.137 1.112 1.00 63.15 H new ATOM 0 HA ASP A 38 -8.066 -12.512 -0.552 1.00 54.21 H new ATOM 0 HB2 ASP A 38 -7.138 -10.180 -1.079 1.00 74.55 H new ATOM 0 HB3 ASP A 38 -5.913 -10.455 0.144 1.00 74.55 H new ATOM 594 N GLY A 39 -6.715 -12.587 2.401 1.00 70.25 N ATOM 595 CA GLY A 39 -6.157 -13.497 3.409 1.00 21.23 C ATOM 596 C GLY A 39 -5.052 -12.863 4.246 1.00 61.41 C ATOM 597 O GLY A 39 -4.828 -13.273 5.391 1.00 15.15 O ATOM 0 H GLY A 39 -7.066 -11.710 2.785 1.00 70.25 H new ATOM 0 HA2 GLY A 39 -6.957 -13.832 4.069 1.00 21.23 H new ATOM 0 HA3 GLY A 39 -5.763 -14.383 2.911 1.00 21.23 H new ATOM 601 N GLY A 40 -4.363 -11.856 3.680 1.00 52.22 N ATOM 602 CA GLY A 40 -3.242 -11.184 4.357 1.00 22.23 C ATOM 603 C GLY A 40 -3.607 -9.800 4.872 1.00 55.14 C ATOM 604 O GLY A 40 -4.726 -9.586 5.335 1.00 12.03 O ATOM 0 H GLY A 40 -4.565 -11.489 2.750 1.00 52.22 H new ATOM 0 HA2 GLY A 40 -2.906 -11.800 5.191 1.00 22.23 H new ATOM 0 HA3 GLY A 40 -2.404 -11.100 3.665 1.00 22.23 H new ATOM 608 N ASP A 41 -2.645 -8.863 4.770 1.00 33.13 N ATOM 609 CA ASP A 41 -2.796 -7.461 5.225 1.00 50.10 C ATOM 610 C ASP A 41 -1.544 -6.654 4.812 1.00 45.34 C ATOM 611 O ASP A 41 -0.504 -7.241 4.467 1.00 72.12 O ATOM 612 CB ASP A 41 -3.020 -7.400 6.769 1.00 41.11 C ATOM 613 CG ASP A 41 -3.364 -6.001 7.310 1.00 44.25 C ATOM 614 OD1 ASP A 41 -4.224 -5.324 6.712 1.00 31.44 O ATOM 615 OD2 ASP A 41 -2.799 -5.582 8.345 1.00 24.44 O ATOM 0 H ASP A 41 -1.729 -9.057 4.365 1.00 33.13 H new ATOM 0 HA ASP A 41 -3.674 -7.021 4.751 1.00 50.10 H new ATOM 0 HB2 ASP A 41 -3.825 -8.086 7.034 1.00 41.11 H new ATOM 0 HB3 ASP A 41 -2.119 -7.757 7.268 1.00 41.11 H new ATOM 620 N VAL A 42 -1.645 -5.311 4.859 1.00 14.32 N ATOM 621 CA VAL A 42 -0.534 -4.398 4.525 1.00 32.23 C ATOM 622 C VAL A 42 -0.228 -3.509 5.749 1.00 42.50 C ATOM 623 O VAL A 42 -1.123 -2.856 6.310 1.00 33.53 O ATOM 624 CB VAL A 42 -0.823 -3.519 3.237 1.00 74.02 C ATOM 625 CG1 VAL A 42 -1.011 -4.416 1.987 1.00 75.40 C ATOM 626 CG2 VAL A 42 -2.045 -2.593 3.422 1.00 14.44 C ATOM 0 H VAL A 42 -2.501 -4.828 5.130 1.00 14.32 H new ATOM 0 HA VAL A 42 0.338 -5.004 4.280 1.00 32.23 H new ATOM 0 HB VAL A 42 0.049 -2.882 3.087 1.00 74.02 H new ATOM 0 HG11 VAL A 42 -1.208 -3.790 1.116 1.00 75.40 H new ATOM 0 HG12 VAL A 42 -0.105 -4.999 1.818 1.00 75.40 H new ATOM 0 HG13 VAL A 42 -1.852 -5.091 2.147 1.00 75.40 H new ATOM 0 HG21 VAL A 42 -2.202 -2.012 2.513 1.00 14.44 H new ATOM 0 HG22 VAL A 42 -2.930 -3.195 3.625 1.00 14.44 H new ATOM 0 HG23 VAL A 42 -1.866 -1.917 4.258 1.00 14.44 H new ATOM 636 N ILE A 43 1.035 -3.542 6.190 1.00 72.12 N ATOM 637 CA ILE A 43 1.508 -2.772 7.352 1.00 2.42 C ATOM 638 C ILE A 43 2.370 -1.606 6.841 1.00 63.34 C ATOM 639 O ILE A 43 3.333 -1.839 6.102 1.00 35.21 O ATOM 640 CB ILE A 43 2.350 -3.650 8.373 1.00 62.41 C ATOM 641 CG1 ILE A 43 1.552 -4.895 8.917 1.00 35.33 C ATOM 642 CG2 ILE A 43 2.855 -2.787 9.563 1.00 22.34 C ATOM 643 CD1 ILE A 43 1.357 -6.039 7.934 1.00 44.10 C ATOM 0 H ILE A 43 1.763 -4.105 5.750 1.00 72.12 H new ATOM 0 HA ILE A 43 0.635 -2.412 7.896 1.00 2.42 H new ATOM 0 HB ILE A 43 3.203 -4.031 7.812 1.00 62.41 H new ATOM 0 HG12 ILE A 43 2.071 -5.280 9.795 1.00 35.33 H new ATOM 0 HG13 ILE A 43 0.571 -4.556 9.250 1.00 35.33 H new ATOM 0 HG21 ILE A 43 3.429 -3.412 10.248 1.00 22.34 H new ATOM 0 HG22 ILE A 43 3.489 -1.984 9.187 1.00 22.34 H new ATOM 0 HG23 ILE A 43 2.002 -2.359 10.090 1.00 22.34 H new ATOM 0 HD11 ILE A 43 0.796 -6.840 8.415 1.00 44.10 H new ATOM 0 HD12 ILE A 43 0.806 -5.681 7.064 1.00 44.10 H new ATOM 0 HD13 ILE A 43 2.329 -6.416 7.617 1.00 44.10 H new ATOM 655 N TYR A 44 2.011 -0.366 7.231 1.00 63.43 N ATOM 656 CA TYR A 44 2.753 0.833 6.823 1.00 71.23 C ATOM 657 C TYR A 44 4.129 0.863 7.514 1.00 25.53 C ATOM 658 O TYR A 44 4.219 1.088 8.727 1.00 65.14 O ATOM 659 CB TYR A 44 1.945 2.123 7.124 1.00 63.22 C ATOM 660 CG TYR A 44 2.570 3.409 6.538 1.00 13.40 C ATOM 661 CD1 TYR A 44 2.657 3.602 5.155 1.00 43.11 C ATOM 662 CD2 TYR A 44 3.069 4.427 7.356 1.00 60.42 C ATOM 663 CE1 TYR A 44 3.204 4.750 4.625 1.00 15.04 C ATOM 664 CE2 TYR A 44 3.607 5.574 6.823 1.00 44.11 C ATOM 665 CZ TYR A 44 3.674 5.732 5.461 1.00 31.24 C ATOM 666 OH TYR A 44 4.188 6.891 4.935 1.00 11.41 O ATOM 0 H TYR A 44 1.208 -0.174 7.830 1.00 63.43 H new ATOM 0 HA TYR A 44 2.908 0.793 5.745 1.00 71.23 H new ATOM 0 HB2 TYR A 44 0.936 2.008 6.727 1.00 63.22 H new ATOM 0 HB3 TYR A 44 1.851 2.237 8.204 1.00 63.22 H new ATOM 0 HD1 TYR A 44 2.288 2.836 4.490 1.00 43.11 H new ATOM 0 HD2 TYR A 44 3.031 4.310 8.429 1.00 60.42 H new ATOM 0 HE1 TYR A 44 3.263 4.877 3.554 1.00 15.04 H new ATOM 0 HE2 TYR A 44 3.977 6.351 7.476 1.00 44.11 H new ATOM 0 HH TYR A 44 5.111 7.009 5.243 1.00 11.41 H new ATOM 676 N LYS A 45 5.182 0.608 6.728 1.00 71.34 N ATOM 677 CA LYS A 45 6.567 0.518 7.220 1.00 3.14 C ATOM 678 C LYS A 45 7.329 1.828 6.984 1.00 21.02 C ATOM 679 O LYS A 45 8.162 2.204 7.815 1.00 32.42 O ATOM 680 CB LYS A 45 7.281 -0.683 6.548 1.00 5.42 C ATOM 681 CG LYS A 45 6.737 -2.068 6.983 1.00 65.31 C ATOM 682 CD LYS A 45 7.080 -2.392 8.463 1.00 62.24 C ATOM 683 CE LYS A 45 6.458 -3.711 8.950 1.00 54.33 C ATOM 684 NZ LYS A 45 6.888 -4.067 10.323 1.00 35.55 N ATOM 0 H LYS A 45 5.098 0.457 5.723 1.00 71.34 H new ATOM 0 HA LYS A 45 6.547 0.354 8.297 1.00 3.14 H new ATOM 0 HB2 LYS A 45 7.184 -0.590 5.466 1.00 5.42 H new ATOM 0 HB3 LYS A 45 8.345 -0.634 6.778 1.00 5.42 H new ATOM 0 HG2 LYS A 45 5.656 -2.091 6.849 1.00 65.31 H new ATOM 0 HG3 LYS A 45 7.155 -2.840 6.337 1.00 65.31 H new ATOM 0 HD2 LYS A 45 8.163 -2.444 8.576 1.00 62.24 H new ATOM 0 HD3 LYS A 45 6.732 -1.577 9.097 1.00 62.24 H new ATOM 0 HE2 LYS A 45 5.371 -3.629 8.923 1.00 54.33 H new ATOM 0 HE3 LYS A 45 6.734 -4.514 8.266 1.00 54.33 H new ATOM 0 HZ1 LYS A 45 6.196 -4.718 10.746 1.00 35.55 H new ATOM 0 HZ2 LYS A 45 7.820 -4.527 10.287 1.00 35.55 H new ATOM 0 HZ3 LYS A 45 6.950 -3.205 10.902 1.00 35.55 H new ATOM 698 N GLY A 46 7.037 2.533 5.870 1.00 62.15 N ATOM 699 CA GLY A 46 7.716 3.802 5.586 1.00 35.31 C ATOM 700 C GLY A 46 7.274 4.500 4.311 1.00 33.02 C ATOM 701 O GLY A 46 6.357 4.045 3.620 1.00 74.25 O ATOM 0 H GLY A 46 6.351 2.248 5.171 1.00 62.15 H new ATOM 0 HA2 GLY A 46 7.555 4.478 6.426 1.00 35.31 H new ATOM 0 HA3 GLY A 46 8.789 3.617 5.527 1.00 35.31 H new ATOM 705 N PHE A 47 7.951 5.630 4.030 1.00 51.13 N ATOM 706 CA PHE A 47 7.773 6.447 2.821 1.00 43.40 C ATOM 707 C PHE A 47 9.071 7.246 2.613 1.00 30.44 C ATOM 708 O PHE A 47 9.368 8.176 3.377 1.00 41.14 O ATOM 709 CB PHE A 47 6.549 7.397 3.004 1.00 24.11 C ATOM 710 CG PHE A 47 6.131 8.234 1.784 1.00 51.43 C ATOM 711 CD1 PHE A 47 5.691 7.613 0.619 1.00 61.23 C ATOM 712 CD2 PHE A 47 6.117 9.633 1.823 1.00 33.04 C ATOM 713 CE1 PHE A 47 5.283 8.355 -0.475 1.00 22.31 C ATOM 714 CE2 PHE A 47 5.703 10.371 0.728 1.00 33.23 C ATOM 715 CZ PHE A 47 5.276 9.732 -0.417 1.00 72.31 C ATOM 0 H PHE A 47 8.658 6.009 4.660 1.00 51.13 H new ATOM 0 HA PHE A 47 7.577 5.825 1.947 1.00 43.40 H new ATOM 0 HB2 PHE A 47 5.694 6.794 3.311 1.00 24.11 H new ATOM 0 HB3 PHE A 47 6.769 8.080 3.825 1.00 24.11 H new ATOM 0 HD1 PHE A 47 5.668 6.534 0.568 1.00 61.23 H new ATOM 0 HD2 PHE A 47 6.434 10.144 2.720 1.00 33.04 H new ATOM 0 HE1 PHE A 47 4.969 7.853 -1.378 1.00 22.31 H new ATOM 0 HE2 PHE A 47 5.714 11.450 0.770 1.00 33.23 H new ATOM 0 HZ PHE A 47 4.937 10.308 -1.265 1.00 72.31 H new ATOM 725 N GLU A 48 9.839 6.883 1.574 1.00 14.00 N ATOM 726 CA GLU A 48 11.147 7.493 1.263 1.00 11.44 C ATOM 727 C GLU A 48 11.268 7.610 -0.259 1.00 31.13 C ATOM 728 O GLU A 48 10.985 6.644 -0.956 1.00 11.52 O ATOM 729 CB GLU A 48 12.336 6.635 1.821 1.00 22.40 C ATOM 730 CG GLU A 48 12.382 6.465 3.362 1.00 62.13 C ATOM 731 CD GLU A 48 13.576 5.607 3.846 1.00 43.23 C ATOM 732 OE1 GLU A 48 13.462 4.364 3.884 1.00 73.34 O ATOM 733 OE2 GLU A 48 14.642 6.167 4.173 1.00 60.51 O ATOM 0 H GLU A 48 9.569 6.150 0.918 1.00 14.00 H new ATOM 0 HA GLU A 48 11.201 8.473 1.737 1.00 11.44 H new ATOM 0 HB2 GLU A 48 12.289 5.645 1.367 1.00 22.40 H new ATOM 0 HB3 GLU A 48 13.271 7.091 1.497 1.00 22.40 H new ATOM 0 HG2 GLU A 48 12.438 7.449 3.828 1.00 62.13 H new ATOM 0 HG3 GLU A 48 11.453 6.005 3.698 1.00 62.13 H new ATOM 740 N ASP A 49 11.661 8.806 -0.757 1.00 72.04 N ATOM 741 CA ASP A 49 11.862 9.091 -2.213 1.00 31.40 C ATOM 742 C ASP A 49 10.523 8.948 -2.992 1.00 51.23 C ATOM 743 O ASP A 49 10.502 8.748 -4.208 1.00 43.41 O ATOM 744 CB ASP A 49 12.983 8.174 -2.810 1.00 72.13 C ATOM 745 CG ASP A 49 13.581 8.669 -4.148 1.00 41.41 C ATOM 746 OD1 ASP A 49 14.356 9.646 -4.126 1.00 42.03 O ATOM 747 OD2 ASP A 49 13.274 8.091 -5.215 1.00 44.41 O ATOM 0 H ASP A 49 11.851 9.612 -0.162 1.00 72.04 H new ATOM 0 HA ASP A 49 12.194 10.123 -2.321 1.00 31.40 H new ATOM 0 HB2 ASP A 49 13.787 8.085 -2.080 1.00 72.13 H new ATOM 0 HB3 ASP A 49 12.575 7.174 -2.958 1.00 72.13 H new ATOM 752 N GLY A 50 9.398 9.096 -2.262 1.00 51.42 N ATOM 753 CA GLY A 50 8.053 8.917 -2.826 1.00 65.32 C ATOM 754 C GLY A 50 7.620 7.452 -2.921 1.00 21.44 C ATOM 755 O GLY A 50 6.556 7.147 -3.466 1.00 71.13 O ATOM 0 H GLY A 50 9.401 9.341 -1.272 1.00 51.42 H new ATOM 0 HA2 GLY A 50 7.335 9.461 -2.212 1.00 65.32 H new ATOM 0 HA3 GLY A 50 8.023 9.362 -3.821 1.00 65.32 H new ATOM 759 N ILE A 51 8.435 6.548 -2.371 1.00 62.34 N ATOM 760 CA ILE A 51 8.191 5.101 -2.413 1.00 40.13 C ATOM 761 C ILE A 51 7.609 4.636 -1.062 1.00 2.32 C ATOM 762 O ILE A 51 8.273 4.738 -0.020 1.00 31.12 O ATOM 763 CB ILE A 51 9.516 4.320 -2.750 1.00 13.21 C ATOM 764 CG1 ILE A 51 10.177 4.867 -4.062 1.00 33.21 C ATOM 765 CG2 ILE A 51 9.256 2.803 -2.860 1.00 73.21 C ATOM 766 CD1 ILE A 51 9.321 4.756 -5.317 1.00 24.32 C ATOM 0 H ILE A 51 9.292 6.801 -1.879 1.00 62.34 H new ATOM 0 HA ILE A 51 7.470 4.886 -3.202 1.00 40.13 H new ATOM 0 HB ILE A 51 10.213 4.484 -1.928 1.00 13.21 H new ATOM 0 HG12 ILE A 51 10.435 5.915 -3.910 1.00 33.21 H new ATOM 0 HG13 ILE A 51 11.111 4.330 -4.230 1.00 33.21 H new ATOM 0 HG21 ILE A 51 10.189 2.290 -3.093 1.00 73.21 H new ATOM 0 HG22 ILE A 51 8.865 2.431 -1.913 1.00 73.21 H new ATOM 0 HG23 ILE A 51 8.531 2.615 -3.651 1.00 73.21 H new ATOM 0 HD11 ILE A 51 9.868 5.161 -6.168 1.00 24.32 H new ATOM 0 HD12 ILE A 51 9.083 3.709 -5.504 1.00 24.32 H new ATOM 0 HD13 ILE A 51 8.398 5.318 -5.178 1.00 24.32 H new ATOM 778 N VAL A 52 6.357 4.149 -1.101 1.00 43.33 N ATOM 779 CA VAL A 52 5.621 3.685 0.082 1.00 12.20 C ATOM 780 C VAL A 52 6.040 2.242 0.406 1.00 55.41 C ATOM 781 O VAL A 52 5.731 1.323 -0.344 1.00 32.53 O ATOM 782 CB VAL A 52 4.062 3.736 -0.148 1.00 33.25 C ATOM 783 CG1 VAL A 52 3.285 3.390 1.147 1.00 31.32 C ATOM 784 CG2 VAL A 52 3.613 5.105 -0.714 1.00 75.43 C ATOM 0 H VAL A 52 5.823 4.067 -1.966 1.00 43.33 H new ATOM 0 HA VAL A 52 5.862 4.348 0.913 1.00 12.20 H new ATOM 0 HB VAL A 52 3.824 2.976 -0.892 1.00 33.25 H new ATOM 0 HG11 VAL A 52 2.214 3.435 0.951 1.00 31.32 H new ATOM 0 HG12 VAL A 52 3.552 2.385 1.474 1.00 31.32 H new ATOM 0 HG13 VAL A 52 3.542 4.106 1.928 1.00 31.32 H new ATOM 0 HG21 VAL A 52 2.533 5.102 -0.859 1.00 75.43 H new ATOM 0 HG22 VAL A 52 3.883 5.895 -0.013 1.00 75.43 H new ATOM 0 HG23 VAL A 52 4.107 5.284 -1.669 1.00 75.43 H new ATOM 794 N GLN A 53 6.752 2.059 1.511 1.00 74.42 N ATOM 795 CA GLN A 53 7.246 0.745 1.938 1.00 24.41 C ATOM 796 C GLN A 53 6.191 0.062 2.812 1.00 42.32 C ATOM 797 O GLN A 53 5.782 0.615 3.841 1.00 53.43 O ATOM 798 CB GLN A 53 8.578 0.935 2.688 1.00 5.50 C ATOM 799 CG GLN A 53 9.694 1.511 1.793 1.00 63.45 C ATOM 800 CD GLN A 53 10.912 2.008 2.559 1.00 2.34 C ATOM 801 OE1 GLN A 53 11.249 1.504 3.630 1.00 42.01 O ATOM 802 NE2 GLN A 53 11.572 3.002 2.002 1.00 73.23 N ATOM 0 H GLN A 53 7.007 2.818 2.143 1.00 74.42 H new ATOM 0 HA GLN A 53 7.427 0.102 1.077 1.00 24.41 H new ATOM 0 HB2 GLN A 53 8.420 1.601 3.536 1.00 5.50 H new ATOM 0 HB3 GLN A 53 8.902 -0.024 3.092 1.00 5.50 H new ATOM 0 HG2 GLN A 53 10.011 0.744 1.087 1.00 63.45 H new ATOM 0 HG3 GLN A 53 9.286 2.335 1.207 1.00 63.45 H new ATOM 0 HE21 GLN A 53 11.256 3.389 1.113 1.00 73.23 H new ATOM 0 HE22 GLN A 53 12.399 3.385 2.460 1.00 73.23 H new ATOM 811 N LEU A 54 5.726 -1.117 2.370 1.00 41.34 N ATOM 812 CA LEU A 54 4.670 -1.884 3.051 1.00 41.23 C ATOM 813 C LEU A 54 5.114 -3.331 3.259 1.00 54.32 C ATOM 814 O LEU A 54 5.790 -3.907 2.397 1.00 42.33 O ATOM 815 CB LEU A 54 3.362 -1.872 2.214 1.00 34.34 C ATOM 816 CG LEU A 54 2.714 -0.478 1.940 1.00 65.23 C ATOM 817 CD1 LEU A 54 1.463 -0.612 1.062 1.00 51.43 C ATOM 818 CD2 LEU A 54 2.387 0.258 3.252 1.00 2.40 C ATOM 0 H LEU A 54 6.074 -1.568 1.524 1.00 41.34 H new ATOM 0 HA LEU A 54 4.485 -1.416 4.018 1.00 41.23 H new ATOM 0 HB2 LEU A 54 3.569 -2.345 1.254 1.00 34.34 H new ATOM 0 HB3 LEU A 54 2.627 -2.494 2.724 1.00 34.34 H new ATOM 0 HG LEU A 54 3.445 0.121 1.397 1.00 65.23 H new ATOM 0 HD11 LEU A 54 1.033 0.374 0.888 1.00 51.43 H new ATOM 0 HD12 LEU A 54 1.735 -1.063 0.108 1.00 51.43 H new ATOM 0 HD13 LEU A 54 0.731 -1.243 1.566 1.00 51.43 H new ATOM 0 HD21 LEU A 54 1.937 1.225 3.025 1.00 2.40 H new ATOM 0 HD22 LEU A 54 1.688 -0.338 3.839 1.00 2.40 H new ATOM 0 HD23 LEU A 54 3.303 0.409 3.822 1.00 2.40 H new ATOM 830 N LYS A 55 4.713 -3.908 4.402 1.00 60.23 N ATOM 831 CA LYS A 55 4.859 -5.342 4.654 1.00 15.31 C ATOM 832 C LYS A 55 3.601 -6.059 4.166 1.00 61.00 C ATOM 833 O LYS A 55 2.490 -5.694 4.565 1.00 71.00 O ATOM 834 CB LYS A 55 5.088 -5.644 6.152 1.00 50.12 C ATOM 835 CG LYS A 55 5.110 -7.158 6.492 1.00 61.31 C ATOM 836 CD LYS A 55 5.545 -7.454 7.939 1.00 41.41 C ATOM 837 CE LYS A 55 5.358 -8.938 8.319 1.00 65.41 C ATOM 838 NZ LYS A 55 5.931 -9.878 7.318 1.00 52.20 N ATOM 0 H LYS A 55 4.282 -3.394 5.170 1.00 60.23 H new ATOM 0 HA LYS A 55 5.736 -5.699 4.113 1.00 15.31 H new ATOM 0 HB2 LYS A 55 6.033 -5.198 6.462 1.00 50.12 H new ATOM 0 HB3 LYS A 55 4.302 -5.162 6.734 1.00 50.12 H new ATOM 0 HG2 LYS A 55 4.116 -7.574 6.327 1.00 61.31 H new ATOM 0 HG3 LYS A 55 5.787 -7.667 5.806 1.00 61.31 H new ATOM 0 HD2 LYS A 55 6.592 -7.179 8.064 1.00 41.41 H new ATOM 0 HD3 LYS A 55 4.968 -6.831 8.623 1.00 41.41 H new ATOM 0 HE2 LYS A 55 5.825 -9.120 9.287 1.00 65.41 H new ATOM 0 HE3 LYS A 55 4.294 -9.145 8.434 1.00 65.41 H new ATOM 0 HZ1 LYS A 55 5.849 -10.853 7.670 1.00 52.20 H new ATOM 0 HZ2 LYS A 55 5.412 -9.789 6.421 1.00 52.20 H new ATOM 0 HZ3 LYS A 55 6.934 -9.650 7.162 1.00 52.20 H new ATOM 852 N LEU A 56 3.779 -7.064 3.303 1.00 13.24 N ATOM 853 CA LEU A 56 2.681 -7.924 2.851 1.00 43.43 C ATOM 854 C LEU A 56 2.647 -9.173 3.744 1.00 32.03 C ATOM 855 O LEU A 56 3.706 -9.708 4.105 1.00 24.32 O ATOM 856 CB LEU A 56 2.861 -8.305 1.357 1.00 34.41 C ATOM 857 CG LEU A 56 3.086 -7.120 0.358 1.00 4.34 C ATOM 858 CD1 LEU A 56 3.121 -7.615 -1.099 1.00 11.41 C ATOM 859 CD2 LEU A 56 2.038 -6.001 0.540 1.00 22.32 C ATOM 0 H LEU A 56 4.685 -7.304 2.899 1.00 13.24 H new ATOM 0 HA LEU A 56 1.733 -7.393 2.933 1.00 43.43 H new ATOM 0 HB2 LEU A 56 3.710 -8.984 1.278 1.00 34.41 H new ATOM 0 HB3 LEU A 56 1.978 -8.859 1.037 1.00 34.41 H new ATOM 0 HG LEU A 56 4.060 -6.690 0.590 1.00 4.34 H new ATOM 0 HD11 LEU A 56 3.279 -6.768 -1.767 1.00 11.41 H new ATOM 0 HD12 LEU A 56 3.935 -8.330 -1.221 1.00 11.41 H new ATOM 0 HD13 LEU A 56 2.174 -8.098 -1.342 1.00 11.41 H new ATOM 0 HD21 LEU A 56 2.233 -5.200 -0.173 1.00 22.32 H new ATOM 0 HD22 LEU A 56 1.040 -6.405 0.368 1.00 22.32 H new ATOM 0 HD23 LEU A 56 2.100 -5.606 1.554 1.00 22.32 H new ATOM 871 N GLN A 57 1.440 -9.616 4.111 1.00 15.32 N ATOM 872 CA GLN A 57 1.241 -10.810 4.958 1.00 63.14 C ATOM 873 C GLN A 57 0.995 -12.059 4.099 1.00 42.15 C ATOM 874 O GLN A 57 0.781 -11.959 2.881 1.00 52.34 O ATOM 875 CB GLN A 57 0.063 -10.579 5.946 1.00 43.31 C ATOM 876 CG GLN A 57 0.392 -9.684 7.153 1.00 61.45 C ATOM 877 CD GLN A 57 1.427 -10.308 8.094 1.00 40.20 C ATOM 878 OE1 GLN A 57 1.528 -11.534 8.215 1.00 25.23 O ATOM 879 NE2 GLN A 57 2.180 -9.480 8.788 1.00 31.24 N ATOM 0 H GLN A 57 0.570 -9.161 3.833 1.00 15.32 H new ATOM 0 HA GLN A 57 2.150 -10.977 5.535 1.00 63.14 H new ATOM 0 HB2 GLN A 57 -0.768 -10.134 5.399 1.00 43.31 H new ATOM 0 HB3 GLN A 57 -0.279 -11.547 6.313 1.00 43.31 H new ATOM 0 HG2 GLN A 57 0.765 -8.724 6.796 1.00 61.45 H new ATOM 0 HG3 GLN A 57 -0.523 -9.483 7.710 1.00 61.45 H new ATOM 0 HE21 GLN A 57 2.075 -8.473 8.668 1.00 31.24 H new ATOM 0 HE22 GLN A 57 2.868 -9.846 9.446 1.00 31.24 H new ATOM 888 N GLY A 58 1.031 -13.235 4.761 1.00 13.02 N ATOM 889 CA GLY A 58 0.798 -14.528 4.110 1.00 33.23 C ATOM 890 C GLY A 58 -0.572 -14.613 3.435 1.00 11.33 C ATOM 891 O GLY A 58 -1.507 -13.923 3.859 1.00 62.43 O ATOM 0 H GLY A 58 1.223 -13.308 5.760 1.00 13.02 H new ATOM 0 HA2 GLY A 58 1.576 -14.701 3.366 1.00 33.23 H new ATOM 0 HA3 GLY A 58 0.883 -15.323 4.851 1.00 33.23 H new ATOM 895 N SER A 59 -0.648 -15.435 2.363 1.00 44.54 N ATOM 896 CA SER A 59 -1.810 -15.544 1.450 1.00 10.11 C ATOM 897 C SER A 59 -1.941 -14.299 0.529 1.00 71.11 C ATOM 898 O SER A 59 -2.932 -14.152 -0.183 1.00 11.22 O ATOM 899 CB SER A 59 -3.126 -15.835 2.222 1.00 60.12 C ATOM 900 OG SER A 59 -3.000 -17.004 3.024 1.00 62.21 O ATOM 0 H SER A 59 0.117 -16.057 2.102 1.00 44.54 H new ATOM 0 HA SER A 59 -1.626 -16.400 0.801 1.00 10.11 H new ATOM 0 HB2 SER A 59 -3.378 -14.982 2.853 1.00 60.12 H new ATOM 0 HB3 SER A 59 -3.946 -15.961 1.515 1.00 60.12 H new ATOM 0 HG SER A 59 -3.841 -17.165 3.501 1.00 62.21 H new ATOM 906 N CYS A 60 -0.909 -13.423 0.541 1.00 73.12 N ATOM 907 CA CYS A 60 -0.814 -12.234 -0.332 1.00 23.11 C ATOM 908 C CYS A 60 0.622 -12.111 -0.874 1.00 64.13 C ATOM 909 O CYS A 60 0.834 -11.737 -2.038 1.00 63.43 O ATOM 910 CB CYS A 60 -1.222 -10.967 0.446 1.00 32.21 C ATOM 911 SG CYS A 60 -2.890 -11.047 1.124 1.00 25.34 S ATOM 0 H CYS A 60 -0.110 -13.525 1.166 1.00 73.12 H new ATOM 0 HA CYS A 60 -1.498 -12.344 -1.174 1.00 23.11 H new ATOM 0 HB2 CYS A 60 -0.515 -10.806 1.260 1.00 32.21 H new ATOM 0 HB3 CYS A 60 -1.148 -10.104 -0.216 1.00 32.21 H new ATOM 0 HG CYS A 60 -3.718 -11.423 0.195 1.00 25.34 H new ATOM 917 N THR A 61 1.606 -12.444 -0.013 1.00 63.31 N ATOM 918 CA THR A 61 3.041 -12.452 -0.374 1.00 20.20 C ATOM 919 C THR A 61 3.519 -13.875 -0.761 1.00 61.11 C ATOM 920 O THR A 61 4.709 -14.086 -1.046 1.00 12.54 O ATOM 921 CB THR A 61 3.908 -11.882 0.808 1.00 60.30 C ATOM 922 OG1 THR A 61 5.273 -11.709 0.398 1.00 23.34 O ATOM 923 CG2 THR A 61 3.866 -12.774 2.063 1.00 44.12 C ATOM 0 H THR A 61 1.429 -12.716 0.954 1.00 63.31 H new ATOM 0 HA THR A 61 3.170 -11.810 -1.245 1.00 20.20 H new ATOM 0 HB THR A 61 3.471 -10.918 1.069 1.00 60.30 H new ATOM 0 HG1 THR A 61 5.513 -12.409 -0.245 1.00 23.34 H new ATOM 0 HG21 THR A 61 4.482 -12.331 2.845 1.00 44.12 H new ATOM 0 HG22 THR A 61 2.838 -12.858 2.415 1.00 44.12 H new ATOM 0 HG23 THR A 61 4.248 -13.765 1.818 1.00 44.12 H new ATOM 931 N SER A 62 2.585 -14.847 -0.778 1.00 2.15 N ATOM 932 CA SER A 62 2.899 -16.257 -1.058 1.00 0.24 C ATOM 933 C SER A 62 3.184 -16.470 -2.562 1.00 32.41 C ATOM 934 O SER A 62 4.094 -17.219 -2.933 1.00 50.03 O ATOM 935 CB SER A 62 1.738 -17.155 -0.578 1.00 65.41 C ATOM 936 OG SER A 62 1.478 -16.953 0.802 1.00 63.33 O ATOM 0 H SER A 62 1.596 -14.675 -0.598 1.00 2.15 H new ATOM 0 HA SER A 62 3.801 -16.533 -0.512 1.00 0.24 H new ATOM 0 HB2 SER A 62 0.841 -16.936 -1.157 1.00 65.41 H new ATOM 0 HB3 SER A 62 1.985 -18.202 -0.756 1.00 65.41 H new ATOM 0 HG SER A 62 0.853 -17.637 1.121 1.00 63.33 H new ATOM 942 N CYS A 63 2.403 -15.787 -3.418 1.00 13.43 N ATOM 943 CA CYS A 63 2.541 -15.858 -4.883 1.00 14.01 C ATOM 944 C CYS A 63 3.160 -14.541 -5.408 1.00 64.40 C ATOM 945 O CYS A 63 2.609 -13.473 -5.143 1.00 62.01 O ATOM 946 CB CYS A 63 1.159 -16.114 -5.519 1.00 0.21 C ATOM 947 SG CYS A 63 0.372 -17.644 -4.962 1.00 73.24 S ATOM 0 H CYS A 63 1.654 -15.167 -3.110 1.00 13.43 H new ATOM 0 HA CYS A 63 3.202 -16.681 -5.155 1.00 14.01 H new ATOM 0 HB2 CYS A 63 0.503 -15.274 -5.290 1.00 0.21 H new ATOM 0 HB3 CYS A 63 1.269 -16.146 -6.603 1.00 0.21 H new ATOM 0 HG CYS A 63 -0.782 -17.775 -5.545 1.00 73.24 H new ATOM 953 N PRO A 64 4.332 -14.598 -6.135 1.00 24.24 N ATOM 954 CA PRO A 64 4.998 -13.395 -6.722 1.00 74.12 C ATOM 955 C PRO A 64 4.079 -12.583 -7.665 1.00 72.44 C ATOM 956 O PRO A 64 4.173 -11.357 -7.721 1.00 74.45 O ATOM 957 CB PRO A 64 6.213 -13.990 -7.482 1.00 55.54 C ATOM 958 CG PRO A 64 6.486 -15.292 -6.792 1.00 34.15 C ATOM 959 CD PRO A 64 5.126 -15.832 -6.407 1.00 12.23 C ATOM 0 HA PRO A 64 5.277 -12.674 -5.954 1.00 74.12 H new ATOM 0 HB2 PRO A 64 5.986 -14.140 -8.538 1.00 55.54 H new ATOM 0 HB3 PRO A 64 7.076 -13.326 -7.433 1.00 55.54 H new ATOM 0 HG2 PRO A 64 7.012 -15.983 -7.450 1.00 34.15 H new ATOM 0 HG3 PRO A 64 7.115 -15.147 -5.914 1.00 34.15 H new ATOM 0 HD2 PRO A 64 4.686 -16.425 -7.209 1.00 12.23 H new ATOM 0 HD3 PRO A 64 5.182 -16.476 -5.529 1.00 12.23 H new ATOM 967 N SER A 65 3.186 -13.292 -8.384 1.00 35.12 N ATOM 968 CA SER A 65 2.169 -12.671 -9.257 1.00 14.14 C ATOM 969 C SER A 65 1.242 -11.749 -8.442 1.00 74.22 C ATOM 970 O SER A 65 0.974 -10.608 -8.834 1.00 42.15 O ATOM 971 CB SER A 65 1.341 -13.767 -9.962 1.00 31.34 C ATOM 972 OG SER A 65 2.174 -14.660 -10.676 1.00 54.42 O ATOM 0 H SER A 65 3.149 -14.311 -8.376 1.00 35.12 H new ATOM 0 HA SER A 65 2.678 -12.068 -10.009 1.00 14.14 H new ATOM 0 HB2 SER A 65 0.761 -14.319 -9.223 1.00 31.34 H new ATOM 0 HB3 SER A 65 0.629 -13.305 -10.646 1.00 31.34 H new ATOM 0 HG SER A 65 1.623 -15.344 -11.111 1.00 54.42 H new ATOM 978 N SER A 66 0.796 -12.265 -7.287 1.00 55.33 N ATOM 979 CA SER A 66 -0.101 -11.555 -6.370 1.00 4.30 C ATOM 980 C SER A 66 0.602 -10.344 -5.735 1.00 34.45 C ATOM 981 O SER A 66 -0.038 -9.322 -5.509 1.00 73.33 O ATOM 982 CB SER A 66 -0.598 -12.528 -5.283 1.00 64.01 C ATOM 983 OG SER A 66 -1.225 -13.667 -5.859 1.00 43.00 O ATOM 0 H SER A 66 1.052 -13.197 -6.962 1.00 55.33 H new ATOM 0 HA SER A 66 -0.955 -11.180 -6.934 1.00 4.30 H new ATOM 0 HB2 SER A 66 0.241 -12.846 -4.665 1.00 64.01 H new ATOM 0 HB3 SER A 66 -1.301 -12.016 -4.627 1.00 64.01 H new ATOM 0 HG SER A 66 -1.529 -14.268 -5.147 1.00 43.00 H new ATOM 989 N ILE A 67 1.926 -10.470 -5.470 1.00 14.25 N ATOM 990 CA ILE A 67 2.753 -9.374 -4.925 1.00 1.52 C ATOM 991 C ILE A 67 2.750 -8.169 -5.882 1.00 72.24 C ATOM 992 O ILE A 67 2.469 -7.046 -5.466 1.00 22.41 O ATOM 993 CB ILE A 67 4.236 -9.852 -4.675 1.00 54.22 C ATOM 994 CG1 ILE A 67 4.284 -10.991 -3.605 1.00 45.31 C ATOM 995 CG2 ILE A 67 5.157 -8.672 -4.277 1.00 2.34 C ATOM 996 CD1 ILE A 67 5.673 -11.565 -3.326 1.00 72.31 C ATOM 0 H ILE A 67 2.446 -11.333 -5.629 1.00 14.25 H new ATOM 0 HA ILE A 67 2.320 -9.074 -3.971 1.00 1.52 H new ATOM 0 HB ILE A 67 4.613 -10.256 -5.615 1.00 54.22 H new ATOM 0 HG12 ILE A 67 3.873 -10.608 -2.671 1.00 45.31 H new ATOM 0 HG13 ILE A 67 3.632 -11.802 -3.931 1.00 45.31 H new ATOM 0 HG21 ILE A 67 6.170 -9.040 -4.113 1.00 2.34 H new ATOM 0 HG22 ILE A 67 5.165 -7.931 -5.076 1.00 2.34 H new ATOM 0 HG23 ILE A 67 4.785 -8.213 -3.361 1.00 2.34 H new ATOM 0 HD11 ILE A 67 5.598 -12.347 -2.571 1.00 72.31 H new ATOM 0 HD12 ILE A 67 6.084 -11.985 -4.244 1.00 72.31 H new ATOM 0 HD13 ILE A 67 6.328 -10.773 -2.964 1.00 72.31 H new ATOM 1008 N ILE A 68 3.056 -8.436 -7.166 1.00 0.42 N ATOM 1009 CA ILE A 68 3.126 -7.405 -8.218 1.00 24.12 C ATOM 1010 C ILE A 68 1.772 -6.694 -8.377 1.00 32.11 C ATOM 1011 O ILE A 68 1.704 -5.465 -8.318 1.00 33.43 O ATOM 1012 CB ILE A 68 3.561 -8.029 -9.598 1.00 11.34 C ATOM 1013 CG1 ILE A 68 4.970 -8.691 -9.485 1.00 72.24 C ATOM 1014 CG2 ILE A 68 3.533 -6.975 -10.738 1.00 41.03 C ATOM 1015 CD1 ILE A 68 5.439 -9.425 -10.736 1.00 62.40 C ATOM 0 H ILE A 68 3.262 -9.376 -7.503 1.00 0.42 H new ATOM 0 HA ILE A 68 3.877 -6.676 -7.912 1.00 24.12 H new ATOM 0 HB ILE A 68 2.837 -8.803 -9.853 1.00 11.34 H new ATOM 0 HG12 ILE A 68 5.699 -7.919 -9.240 1.00 72.24 H new ATOM 0 HG13 ILE A 68 4.959 -9.394 -8.652 1.00 72.24 H new ATOM 0 HG21 ILE A 68 3.839 -7.443 -11.674 1.00 41.03 H new ATOM 0 HG22 ILE A 68 2.523 -6.580 -10.843 1.00 41.03 H new ATOM 0 HG23 ILE A 68 4.218 -6.161 -10.498 1.00 41.03 H new ATOM 0 HD11 ILE A 68 6.427 -9.850 -10.559 1.00 62.40 H new ATOM 0 HD12 ILE A 68 4.737 -10.224 -10.974 1.00 62.40 H new ATOM 0 HD13 ILE A 68 5.489 -8.726 -11.571 1.00 62.40 H new ATOM 1027 N THR A 69 0.707 -7.500 -8.542 1.00 75.11 N ATOM 1028 CA THR A 69 -0.664 -7.012 -8.770 1.00 24.05 C ATOM 1029 C THR A 69 -1.142 -6.137 -7.602 1.00 74.44 C ATOM 1030 O THR A 69 -1.656 -5.031 -7.816 1.00 12.10 O ATOM 1031 CB THR A 69 -1.643 -8.215 -8.970 1.00 42.35 C ATOM 1032 OG1 THR A 69 -1.147 -9.061 -10.014 1.00 41.25 O ATOM 1033 CG2 THR A 69 -3.073 -7.764 -9.325 1.00 24.42 C ATOM 0 H THR A 69 0.776 -8.517 -8.520 1.00 75.11 H new ATOM 0 HA THR A 69 -0.657 -6.403 -9.674 1.00 24.05 H new ATOM 0 HB THR A 69 -1.693 -8.752 -8.023 1.00 42.35 H new ATOM 0 HG1 THR A 69 -0.416 -9.614 -9.667 1.00 41.25 H new ATOM 0 HG21 THR A 69 -3.710 -8.640 -9.452 1.00 24.42 H new ATOM 0 HG22 THR A 69 -3.468 -7.142 -8.522 1.00 24.42 H new ATOM 0 HG23 THR A 69 -3.054 -7.191 -10.252 1.00 24.42 H new ATOM 1041 N LEU A 70 -0.919 -6.632 -6.371 1.00 12.01 N ATOM 1042 CA LEU A 70 -1.326 -5.944 -5.138 1.00 71.12 C ATOM 1043 C LEU A 70 -0.599 -4.600 -5.016 1.00 32.13 C ATOM 1044 O LEU A 70 -1.237 -3.564 -4.900 1.00 73.44 O ATOM 1045 CB LEU A 70 -1.043 -6.837 -3.897 1.00 21.22 C ATOM 1046 CG LEU A 70 -1.475 -6.264 -2.510 1.00 22.10 C ATOM 1047 CD1 LEU A 70 -2.978 -5.921 -2.485 1.00 21.23 C ATOM 1048 CD2 LEU A 70 -1.102 -7.234 -1.366 1.00 55.21 C ATOM 0 H LEU A 70 -0.450 -7.523 -6.206 1.00 12.01 H new ATOM 0 HA LEU A 70 -2.398 -5.754 -5.182 1.00 71.12 H new ATOM 0 HB2 LEU A 70 -1.547 -7.792 -4.043 1.00 21.22 H new ATOM 0 HB3 LEU A 70 0.027 -7.043 -3.862 1.00 21.22 H new ATOM 0 HG LEU A 70 -0.926 -5.336 -2.352 1.00 22.10 H new ATOM 0 HD11 LEU A 70 -3.245 -5.525 -1.505 1.00 21.23 H new ATOM 0 HD12 LEU A 70 -3.194 -5.174 -3.249 1.00 21.23 H new ATOM 0 HD13 LEU A 70 -3.560 -6.821 -2.683 1.00 21.23 H new ATOM 0 HD21 LEU A 70 -1.415 -6.809 -0.412 1.00 55.21 H new ATOM 0 HD22 LEU A 70 -1.605 -8.189 -1.520 1.00 55.21 H new ATOM 0 HD23 LEU A 70 -0.023 -7.389 -1.358 1.00 55.21 H new ATOM 1060 N LYS A 71 0.741 -4.648 -5.115 1.00 11.04 N ATOM 1061 CA LYS A 71 1.628 -3.473 -5.002 1.00 65.53 C ATOM 1062 C LYS A 71 1.272 -2.386 -6.042 1.00 35.32 C ATOM 1063 O LYS A 71 1.298 -1.198 -5.723 1.00 71.51 O ATOM 1064 CB LYS A 71 3.107 -3.958 -5.122 1.00 3.10 C ATOM 1065 CG LYS A 71 4.215 -2.869 -5.143 1.00 35.45 C ATOM 1066 CD LYS A 71 4.591 -2.375 -6.572 1.00 73.51 C ATOM 1067 CE LYS A 71 5.125 -3.502 -7.472 1.00 75.03 C ATOM 1068 NZ LYS A 71 5.512 -3.008 -8.816 1.00 23.41 N ATOM 0 H LYS A 71 1.248 -5.518 -5.278 1.00 11.04 H new ATOM 0 HA LYS A 71 1.491 -2.999 -4.030 1.00 65.53 H new ATOM 0 HB2 LYS A 71 3.310 -4.630 -4.288 1.00 3.10 H new ATOM 0 HB3 LYS A 71 3.196 -4.547 -6.035 1.00 3.10 H new ATOM 0 HG2 LYS A 71 3.883 -2.016 -4.551 1.00 35.45 H new ATOM 0 HG3 LYS A 71 5.108 -3.265 -4.660 1.00 35.45 H new ATOM 0 HD2 LYS A 71 3.713 -1.928 -7.039 1.00 73.51 H new ATOM 0 HD3 LYS A 71 5.344 -1.591 -6.494 1.00 73.51 H new ATOM 0 HE2 LYS A 71 5.988 -3.968 -6.995 1.00 75.03 H new ATOM 0 HE3 LYS A 71 4.363 -4.274 -7.576 1.00 75.03 H new ATOM 0 HZ1 LYS A 71 6.161 -3.687 -9.262 1.00 23.41 H new ATOM 0 HZ2 LYS A 71 4.662 -2.903 -9.406 1.00 23.41 H new ATOM 0 HZ3 LYS A 71 5.985 -2.086 -8.724 1.00 23.41 H new ATOM 1082 N ASN A 72 0.934 -2.820 -7.269 1.00 51.54 N ATOM 1083 CA ASN A 72 0.513 -1.917 -8.371 1.00 61.42 C ATOM 1084 C ASN A 72 -0.846 -1.263 -8.068 1.00 10.14 C ATOM 1085 O ASN A 72 -1.045 -0.080 -8.366 1.00 34.20 O ATOM 1086 CB ASN A 72 0.451 -2.693 -9.724 1.00 22.41 C ATOM 1087 CG ASN A 72 1.815 -2.957 -10.368 1.00 14.10 C ATOM 1088 OD1 ASN A 72 2.835 -3.040 -9.694 1.00 23.33 O ATOM 1089 ND2 ASN A 72 1.827 -3.129 -11.684 1.00 72.41 N ATOM 0 H ASN A 72 0.943 -3.806 -7.531 1.00 51.54 H new ATOM 0 HA ASN A 72 1.258 -1.126 -8.455 1.00 61.42 H new ATOM 0 HB2 ASN A 72 -0.049 -3.647 -9.558 1.00 22.41 H new ATOM 0 HB3 ASN A 72 -0.164 -2.128 -10.424 1.00 22.41 H new ATOM 0 HD21 ASN A 72 2.703 -3.337 -12.163 1.00 72.41 H new ATOM 0 HD22 ASN A 72 0.960 -3.053 -12.216 1.00 72.41 H new ATOM 1096 N GLY A 73 -1.767 -2.044 -7.470 1.00 64.11 N ATOM 1097 CA GLY A 73 -3.094 -1.555 -7.088 1.00 65.24 C ATOM 1098 C GLY A 73 -3.020 -0.479 -6.012 1.00 53.51 C ATOM 1099 O GLY A 73 -3.629 0.594 -6.144 1.00 44.24 O ATOM 0 H GLY A 73 -1.607 -3.025 -7.242 1.00 64.11 H new ATOM 0 HA2 GLY A 73 -3.599 -1.154 -7.967 1.00 65.24 H new ATOM 0 HA3 GLY A 73 -3.697 -2.388 -6.726 1.00 65.24 H new ATOM 1103 N ILE A 74 -2.215 -0.768 -4.969 1.00 31.55 N ATOM 1104 CA ILE A 74 -1.940 0.158 -3.860 1.00 64.14 C ATOM 1105 C ILE A 74 -1.290 1.438 -4.399 1.00 24.31 C ATOM 1106 O ILE A 74 -1.659 2.543 -4.006 1.00 4.34 O ATOM 1107 CB ILE A 74 -0.970 -0.484 -2.792 1.00 22.24 C ATOM 1108 CG1 ILE A 74 -1.499 -1.865 -2.295 1.00 33.51 C ATOM 1109 CG2 ILE A 74 -0.747 0.477 -1.599 1.00 72.54 C ATOM 1110 CD1 ILE A 74 -0.526 -2.640 -1.413 1.00 72.42 C ATOM 0 H ILE A 74 -1.734 -1.662 -4.876 1.00 31.55 H new ATOM 0 HA ILE A 74 -2.892 0.383 -3.380 1.00 64.14 H new ATOM 0 HB ILE A 74 -0.011 -0.652 -3.281 1.00 22.24 H new ATOM 0 HG12 ILE A 74 -2.424 -1.706 -1.740 1.00 33.51 H new ATOM 0 HG13 ILE A 74 -1.748 -2.477 -3.162 1.00 33.51 H new ATOM 0 HG21 ILE A 74 -0.075 0.012 -0.877 1.00 72.54 H new ATOM 0 HG22 ILE A 74 -0.306 1.407 -1.958 1.00 72.54 H new ATOM 0 HG23 ILE A 74 -1.703 0.690 -1.120 1.00 72.54 H new ATOM 0 HD11 ILE A 74 -0.979 -3.586 -1.116 1.00 72.42 H new ATOM 0 HD12 ILE A 74 0.392 -2.836 -1.968 1.00 72.42 H new ATOM 0 HD13 ILE A 74 -0.294 -2.053 -0.524 1.00 72.42 H new ATOM 1122 N GLN A 75 -0.325 1.240 -5.314 1.00 5.15 N ATOM 1123 CA GLN A 75 0.448 2.317 -5.933 1.00 30.23 C ATOM 1124 C GLN A 75 -0.467 3.303 -6.658 1.00 24.32 C ATOM 1125 O GLN A 75 -0.502 4.470 -6.304 1.00 24.53 O ATOM 1126 CB GLN A 75 1.498 1.723 -6.902 1.00 20.10 C ATOM 1127 CG GLN A 75 2.407 2.764 -7.574 1.00 0.53 C ATOM 1128 CD GLN A 75 3.450 2.189 -8.533 1.00 11.24 C ATOM 1129 OE1 GLN A 75 3.803 2.830 -9.523 1.00 53.23 O ATOM 1130 NE2 GLN A 75 3.985 1.010 -8.238 1.00 63.15 N ATOM 0 H GLN A 75 -0.061 0.312 -5.645 1.00 5.15 H new ATOM 0 HA GLN A 75 0.967 2.867 -5.148 1.00 30.23 H new ATOM 0 HB2 GLN A 75 2.120 1.016 -6.354 1.00 20.10 H new ATOM 0 HB3 GLN A 75 0.980 1.158 -7.677 1.00 20.10 H new ATOM 0 HG2 GLN A 75 1.782 3.470 -8.121 1.00 0.53 H new ATOM 0 HG3 GLN A 75 2.922 3.329 -6.798 1.00 0.53 H new ATOM 0 HE21 GLN A 75 3.673 0.501 -7.411 1.00 63.15 H new ATOM 0 HE22 GLN A 75 4.708 0.613 -8.838 1.00 63.15 H new ATOM 1139 N ASN A 76 -1.257 2.796 -7.619 1.00 54.34 N ATOM 1140 CA ASN A 76 -2.120 3.629 -8.485 1.00 22.14 C ATOM 1141 C ASN A 76 -3.252 4.293 -7.687 1.00 34.11 C ATOM 1142 O ASN A 76 -3.736 5.360 -8.075 1.00 45.23 O ATOM 1143 CB ASN A 76 -2.693 2.795 -9.665 1.00 40.52 C ATOM 1144 CG ASN A 76 -1.651 2.383 -10.722 1.00 51.13 C ATOM 1145 OD1 ASN A 76 -1.966 2.297 -11.906 1.00 32.14 O ATOM 1146 ND2 ASN A 76 -0.415 2.086 -10.319 1.00 60.21 N ATOM 0 H ASN A 76 -1.318 1.798 -7.820 1.00 54.34 H new ATOM 0 HA ASN A 76 -1.498 4.424 -8.897 1.00 22.14 H new ATOM 0 HB2 ASN A 76 -3.160 1.896 -9.264 1.00 40.52 H new ATOM 0 HB3 ASN A 76 -3.478 3.372 -10.153 1.00 40.52 H new ATOM 0 HD21 ASN A 76 0.284 1.783 -10.998 1.00 60.21 H new ATOM 0 HD22 ASN A 76 -0.168 2.162 -9.332 1.00 60.21 H new ATOM 1153 N MET A 77 -3.661 3.658 -6.571 1.00 74.23 N ATOM 1154 CA MET A 77 -4.658 4.234 -5.648 1.00 0.03 C ATOM 1155 C MET A 77 -4.043 5.442 -4.904 1.00 24.10 C ATOM 1156 O MET A 77 -4.586 6.546 -4.953 1.00 11.53 O ATOM 1157 CB MET A 77 -5.157 3.140 -4.661 1.00 24.22 C ATOM 1158 CG MET A 77 -6.338 3.557 -3.765 1.00 23.20 C ATOM 1159 SD MET A 77 -5.897 4.714 -2.448 1.00 64.21 S ATOM 1160 CE MET A 77 -4.797 3.707 -1.464 1.00 53.45 C ATOM 0 H MET A 77 -3.314 2.742 -6.286 1.00 74.23 H new ATOM 0 HA MET A 77 -5.521 4.592 -6.210 1.00 0.03 H new ATOM 0 HB2 MET A 77 -5.450 2.261 -5.235 1.00 24.22 H new ATOM 0 HB3 MET A 77 -4.325 2.842 -4.023 1.00 24.22 H new ATOM 0 HG2 MET A 77 -7.110 4.010 -4.388 1.00 23.20 H new ATOM 0 HG3 MET A 77 -6.773 2.663 -3.318 1.00 23.20 H new ATOM 0 HE1 MET A 77 -4.081 4.347 -0.949 1.00 53.45 H new ATOM 0 HE2 MET A 77 -5.376 3.146 -0.730 1.00 53.45 H new ATOM 0 HE3 MET A 77 -4.262 3.013 -2.112 1.00 53.45 H new ATOM 1170 N LEU A 78 -2.874 5.225 -4.273 1.00 21.35 N ATOM 1171 CA LEU A 78 -2.128 6.276 -3.546 1.00 2.23 C ATOM 1172 C LEU A 78 -1.671 7.407 -4.490 1.00 12.03 C ATOM 1173 O LEU A 78 -1.535 8.539 -4.060 1.00 52.40 O ATOM 1174 CB LEU A 78 -0.908 5.654 -2.806 1.00 21.24 C ATOM 1175 CG LEU A 78 -1.233 4.801 -1.537 1.00 30.55 C ATOM 1176 CD1 LEU A 78 0.017 4.087 -0.996 1.00 23.11 C ATOM 1177 CD2 LEU A 78 -1.886 5.668 -0.439 1.00 22.24 C ATOM 0 H LEU A 78 -2.417 4.314 -4.251 1.00 21.35 H new ATOM 0 HA LEU A 78 -2.802 6.717 -2.811 1.00 2.23 H new ATOM 0 HB2 LEU A 78 -0.363 5.026 -3.511 1.00 21.24 H new ATOM 0 HB3 LEU A 78 -0.236 6.461 -2.514 1.00 21.24 H new ATOM 0 HG LEU A 78 -1.947 4.034 -1.837 1.00 30.55 H new ATOM 0 HD11 LEU A 78 -0.250 3.505 -0.114 1.00 23.11 H new ATOM 0 HD12 LEU A 78 0.417 3.423 -1.762 1.00 23.11 H new ATOM 0 HD13 LEU A 78 0.771 4.827 -0.728 1.00 23.11 H new ATOM 0 HD21 LEU A 78 -2.102 5.050 0.432 1.00 22.24 H new ATOM 0 HD22 LEU A 78 -1.204 6.470 -0.155 1.00 22.24 H new ATOM 0 HD23 LEU A 78 -2.814 6.097 -0.818 1.00 22.24 H new ATOM 1189 N GLN A 79 -1.449 7.077 -5.776 1.00 4.43 N ATOM 1190 CA GLN A 79 -1.049 8.052 -6.815 1.00 40.41 C ATOM 1191 C GLN A 79 -2.255 8.866 -7.306 1.00 2.24 C ATOM 1192 O GLN A 79 -2.108 10.039 -7.678 1.00 52.31 O ATOM 1193 CB GLN A 79 -0.346 7.335 -7.997 1.00 42.04 C ATOM 1194 CG GLN A 79 1.060 6.817 -7.648 1.00 42.35 C ATOM 1195 CD GLN A 79 1.740 6.019 -8.759 1.00 53.21 C ATOM 1196 OE1 GLN A 79 1.083 5.336 -9.544 1.00 44.14 O ATOM 1197 NE2 GLN A 79 3.067 6.087 -8.827 1.00 4.13 N ATOM 0 H GLN A 79 -1.542 6.124 -6.128 1.00 4.43 H new ATOM 0 HA GLN A 79 -0.340 8.748 -6.368 1.00 40.41 H new ATOM 0 HB2 GLN A 79 -0.963 6.498 -8.323 1.00 42.04 H new ATOM 0 HB3 GLN A 79 -0.273 8.024 -8.839 1.00 42.04 H new ATOM 0 HG2 GLN A 79 1.692 7.667 -7.391 1.00 42.35 H new ATOM 0 HG3 GLN A 79 0.991 6.190 -6.759 1.00 42.35 H new ATOM 0 HE21 GLN A 79 3.583 6.662 -8.161 1.00 4.13 H new ATOM 0 HE22 GLN A 79 3.568 5.564 -9.545 1.00 4.13 H new ATOM 1206 N PHE A 80 -3.447 8.234 -7.288 1.00 43.34 N ATOM 1207 CA PHE A 80 -4.709 8.882 -7.687 1.00 14.20 C ATOM 1208 C PHE A 80 -5.046 10.031 -6.718 1.00 11.15 C ATOM 1209 O PHE A 80 -5.462 11.115 -7.141 1.00 62.31 O ATOM 1210 CB PHE A 80 -5.859 7.836 -7.723 1.00 14.42 C ATOM 1211 CG PHE A 80 -7.206 8.387 -8.212 1.00 44.33 C ATOM 1212 CD1 PHE A 80 -7.425 8.625 -9.574 1.00 23.43 C ATOM 1213 CD2 PHE A 80 -8.245 8.673 -7.316 1.00 3.23 C ATOM 1214 CE1 PHE A 80 -8.634 9.127 -10.021 1.00 12.23 C ATOM 1215 CE2 PHE A 80 -9.450 9.174 -7.768 1.00 32.15 C ATOM 1216 CZ PHE A 80 -9.646 9.403 -9.118 1.00 32.14 C ATOM 0 H PHE A 80 -3.559 7.263 -6.997 1.00 43.34 H new ATOM 0 HA PHE A 80 -4.593 9.300 -8.687 1.00 14.20 H new ATOM 0 HB2 PHE A 80 -5.562 7.011 -8.370 1.00 14.42 H new ATOM 0 HB3 PHE A 80 -5.991 7.425 -6.722 1.00 14.42 H new ATOM 0 HD1 PHE A 80 -6.640 8.414 -10.285 1.00 23.43 H new ATOM 0 HD2 PHE A 80 -8.102 8.500 -6.260 1.00 3.23 H new ATOM 0 HE1 PHE A 80 -8.788 9.304 -11.075 1.00 12.23 H new ATOM 0 HE2 PHE A 80 -10.242 9.388 -7.065 1.00 32.15 H new ATOM 0 HZ PHE A 80 -10.589 9.797 -9.467 1.00 32.14 H new ATOM 1226 N TYR A 81 -4.830 9.774 -5.420 1.00 64.25 N ATOM 1227 CA TYR A 81 -5.095 10.741 -4.342 1.00 4.51 C ATOM 1228 C TYR A 81 -3.890 11.682 -4.115 1.00 32.42 C ATOM 1229 O TYR A 81 -4.081 12.850 -3.771 1.00 63.15 O ATOM 1230 CB TYR A 81 -5.440 9.992 -3.025 1.00 31.00 C ATOM 1231 CG TYR A 81 -6.809 9.279 -3.014 1.00 45.12 C ATOM 1232 CD1 TYR A 81 -6.959 7.969 -3.477 1.00 61.33 C ATOM 1233 CD2 TYR A 81 -7.943 9.921 -2.517 1.00 30.32 C ATOM 1234 CE1 TYR A 81 -8.184 7.338 -3.459 1.00 62.00 C ATOM 1235 CE2 TYR A 81 -9.172 9.296 -2.494 1.00 14.43 C ATOM 1236 CZ TYR A 81 -9.289 8.004 -2.961 1.00 12.52 C ATOM 1237 OH TYR A 81 -10.517 7.381 -2.934 1.00 15.41 O ATOM 0 H TYR A 81 -4.464 8.883 -5.085 1.00 64.25 H new ATOM 0 HA TYR A 81 -5.945 11.352 -4.644 1.00 4.51 H new ATOM 0 HB2 TYR A 81 -4.662 9.253 -2.831 1.00 31.00 H new ATOM 0 HB3 TYR A 81 -5.414 10.706 -2.202 1.00 31.00 H new ATOM 0 HD1 TYR A 81 -6.097 7.440 -3.857 1.00 61.33 H new ATOM 0 HD2 TYR A 81 -7.857 10.930 -2.142 1.00 30.32 H new ATOM 0 HE1 TYR A 81 -8.281 6.329 -3.832 1.00 62.00 H new ATOM 0 HE2 TYR A 81 -10.038 9.816 -2.112 1.00 14.43 H new ATOM 0 HH TYR A 81 -11.184 7.989 -2.553 1.00 15.41 H new ATOM 1247 N ILE A 82 -2.649 11.168 -4.294 1.00 24.00 N ATOM 1248 CA ILE A 82 -1.405 11.895 -3.916 1.00 35.12 C ATOM 1249 C ILE A 82 -0.376 11.847 -5.077 1.00 64.14 C ATOM 1250 O ILE A 82 0.060 10.757 -5.450 1.00 53.43 O ATOM 1251 CB ILE A 82 -0.735 11.258 -2.628 1.00 12.24 C ATOM 1252 CG1 ILE A 82 -1.791 10.951 -1.517 1.00 13.42 C ATOM 1253 CG2 ILE A 82 0.384 12.169 -2.074 1.00 13.12 C ATOM 1254 CD1 ILE A 82 -1.272 10.097 -0.380 1.00 33.53 C ATOM 0 H ILE A 82 -2.479 10.248 -4.700 1.00 24.00 H new ATOM 0 HA ILE A 82 -1.686 12.927 -3.704 1.00 35.12 H new ATOM 0 HB ILE A 82 -0.289 10.311 -2.934 1.00 12.24 H new ATOM 0 HG12 ILE A 82 -2.156 11.894 -1.110 1.00 13.42 H new ATOM 0 HG13 ILE A 82 -2.644 10.448 -1.973 1.00 13.42 H new ATOM 0 HG21 ILE A 82 0.826 11.707 -1.191 1.00 13.12 H new ATOM 0 HG22 ILE A 82 1.152 12.305 -2.835 1.00 13.12 H new ATOM 0 HG23 ILE A 82 -0.036 13.138 -1.805 1.00 13.12 H new ATOM 0 HD11 ILE A 82 -2.069 9.933 0.345 1.00 33.53 H new ATOM 0 HD12 ILE A 82 -0.934 9.137 -0.771 1.00 33.53 H new ATOM 0 HD13 ILE A 82 -0.439 10.605 0.106 1.00 33.53 H new ATOM 1266 N PRO A 83 0.053 13.020 -5.656 1.00 63.51 N ATOM 1267 CA PRO A 83 1.074 13.053 -6.747 1.00 4.43 C ATOM 1268 C PRO A 83 2.522 12.863 -6.230 1.00 60.12 C ATOM 1269 O PRO A 83 3.465 12.780 -7.021 1.00 74.02 O ATOM 1270 CB PRO A 83 0.868 14.462 -7.354 1.00 10.14 C ATOM 1271 CG PRO A 83 0.421 15.310 -6.192 1.00 25.13 C ATOM 1272 CD PRO A 83 -0.420 14.398 -5.311 1.00 34.34 C ATOM 0 HA PRO A 83 0.948 12.239 -7.461 1.00 4.43 H new ATOM 0 HB2 PRO A 83 1.790 14.844 -7.793 1.00 10.14 H new ATOM 0 HB3 PRO A 83 0.120 14.448 -8.146 1.00 10.14 H new ATOM 0 HG2 PRO A 83 1.277 15.703 -5.643 1.00 25.13 H new ATOM 0 HG3 PRO A 83 -0.159 16.167 -6.534 1.00 25.13 H new ATOM 0 HD2 PRO A 83 -0.272 14.617 -4.254 1.00 34.34 H new ATOM 0 HD3 PRO A 83 -1.484 14.517 -5.515 1.00 34.34 H new ATOM 1280 N GLU A 84 2.666 12.806 -4.895 1.00 73.12 N ATOM 1281 CA GLU A 84 3.966 12.661 -4.213 1.00 32.11 C ATOM 1282 C GLU A 84 4.426 11.194 -4.198 1.00 42.53 C ATOM 1283 O GLU A 84 5.624 10.911 -4.053 1.00 30.34 O ATOM 1284 CB GLU A 84 3.861 13.203 -2.767 1.00 2.45 C ATOM 1285 CG GLU A 84 3.280 14.631 -2.667 1.00 62.24 C ATOM 1286 CD GLU A 84 4.159 15.690 -3.349 1.00 11.14 C ATOM 1287 OE1 GLU A 84 5.182 16.091 -2.750 1.00 1.30 O ATOM 1288 OE2 GLU A 84 3.829 16.125 -4.478 1.00 73.13 O ATOM 0 H GLU A 84 1.876 12.860 -4.252 1.00 73.12 H new ATOM 0 HA GLU A 84 4.709 13.239 -4.763 1.00 32.11 H new ATOM 0 HB2 GLU A 84 3.237 12.527 -2.182 1.00 2.45 H new ATOM 0 HB3 GLU A 84 4.853 13.194 -2.314 1.00 2.45 H new ATOM 0 HG2 GLU A 84 2.288 14.645 -3.119 1.00 62.24 H new ATOM 0 HG3 GLU A 84 3.155 14.893 -1.616 1.00 62.24 H new ATOM 1295 N VAL A 85 3.458 10.271 -4.315 1.00 14.01 N ATOM 1296 CA VAL A 85 3.730 8.834 -4.383 1.00 65.12 C ATOM 1297 C VAL A 85 4.286 8.493 -5.776 1.00 13.21 C ATOM 1298 O VAL A 85 3.553 8.484 -6.765 1.00 55.24 O ATOM 1299 CB VAL A 85 2.436 7.991 -4.070 1.00 51.43 C ATOM 1300 CG1 VAL A 85 2.693 6.463 -4.195 1.00 51.30 C ATOM 1301 CG2 VAL A 85 1.876 8.336 -2.664 1.00 0.31 C ATOM 0 H VAL A 85 2.466 10.504 -4.365 1.00 14.01 H new ATOM 0 HA VAL A 85 4.470 8.576 -3.626 1.00 65.12 H new ATOM 0 HB VAL A 85 1.690 8.260 -4.817 1.00 51.43 H new ATOM 0 HG11 VAL A 85 1.775 5.920 -3.971 1.00 51.30 H new ATOM 0 HG12 VAL A 85 3.014 6.230 -5.210 1.00 51.30 H new ATOM 0 HG13 VAL A 85 3.471 6.166 -3.492 1.00 51.30 H new ATOM 0 HG21 VAL A 85 0.983 7.741 -2.472 1.00 0.31 H new ATOM 0 HG22 VAL A 85 2.629 8.114 -1.908 1.00 0.31 H new ATOM 0 HG23 VAL A 85 1.622 9.395 -2.623 1.00 0.31 H new ATOM 1311 N GLU A 86 5.607 8.289 -5.840 1.00 45.44 N ATOM 1312 CA GLU A 86 6.309 7.847 -7.056 1.00 72.00 C ATOM 1313 C GLU A 86 6.096 6.336 -7.263 1.00 4.13 C ATOM 1314 O GLU A 86 6.144 5.848 -8.392 1.00 1.05 O ATOM 1315 CB GLU A 86 7.824 8.182 -6.953 1.00 15.33 C ATOM 1316 CG GLU A 86 8.126 9.650 -6.572 1.00 54.51 C ATOM 1317 CD GLU A 86 7.535 10.694 -7.538 1.00 53.23 C ATOM 1318 OE1 GLU A 86 8.203 11.039 -8.535 1.00 23.11 O ATOM 1319 OE2 GLU A 86 6.403 11.176 -7.301 1.00 32.32 O ATOM 0 H GLU A 86 6.227 8.427 -5.042 1.00 45.44 H new ATOM 0 HA GLU A 86 5.901 8.376 -7.917 1.00 72.00 H new ATOM 0 HB2 GLU A 86 8.280 7.525 -6.212 1.00 15.33 H new ATOM 0 HB3 GLU A 86 8.299 7.962 -7.909 1.00 15.33 H new ATOM 0 HG2 GLU A 86 7.739 9.839 -5.571 1.00 54.51 H new ATOM 0 HG3 GLU A 86 9.207 9.786 -6.527 1.00 54.51 H new ATOM 1326 N GLY A 87 5.863 5.612 -6.146 1.00 65.44 N ATOM 1327 CA GLY A 87 5.575 4.183 -6.197 1.00 41.54 C ATOM 1328 C GLY A 87 5.366 3.564 -4.823 1.00 51.35 C ATOM 1329 O GLY A 87 5.258 4.269 -3.822 1.00 32.33 O ATOM 0 H GLY A 87 5.871 6.004 -5.204 1.00 65.44 H new ATOM 0 HA2 GLY A 87 4.683 4.020 -6.801 1.00 41.54 H new ATOM 0 HA3 GLY A 87 6.397 3.671 -6.698 1.00 41.54 H new ATOM 1333 N VAL A 88 5.283 2.223 -4.807 1.00 53.23 N ATOM 1334 CA VAL A 88 5.187 1.385 -3.588 1.00 31.05 C ATOM 1335 C VAL A 88 6.226 0.248 -3.711 1.00 53.24 C ATOM 1336 O VAL A 88 6.371 -0.334 -4.790 1.00 70.00 O ATOM 1337 CB VAL A 88 3.730 0.773 -3.402 1.00 21.30 C ATOM 1338 CG1 VAL A 88 3.653 -0.251 -2.232 1.00 71.34 C ATOM 1339 CG2 VAL A 88 2.679 1.887 -3.192 1.00 10.34 C ATOM 0 H VAL A 88 5.280 1.671 -5.665 1.00 53.23 H new ATOM 0 HA VAL A 88 5.386 2.004 -2.713 1.00 31.05 H new ATOM 0 HB VAL A 88 3.507 0.237 -4.325 1.00 21.30 H new ATOM 0 HG11 VAL A 88 2.636 -0.636 -2.152 1.00 71.34 H new ATOM 0 HG12 VAL A 88 4.339 -1.076 -2.425 1.00 71.34 H new ATOM 0 HG13 VAL A 88 3.930 0.241 -1.299 1.00 71.34 H new ATOM 0 HG21 VAL A 88 1.693 1.439 -3.068 1.00 10.34 H new ATOM 0 HG22 VAL A 88 2.931 2.462 -2.301 1.00 10.34 H new ATOM 0 HG23 VAL A 88 2.671 2.547 -4.059 1.00 10.34 H new ATOM 1349 N GLU A 89 6.962 -0.050 -2.624 1.00 3.34 N ATOM 1350 CA GLU A 89 7.930 -1.168 -2.582 1.00 21.10 C ATOM 1351 C GLU A 89 7.547 -2.153 -1.474 1.00 42.24 C ATOM 1352 O GLU A 89 7.050 -1.749 -0.411 1.00 71.43 O ATOM 1353 CB GLU A 89 9.384 -0.656 -2.367 1.00 65.25 C ATOM 1354 CG GLU A 89 10.454 -1.763 -2.427 1.00 64.20 C ATOM 1355 CD GLU A 89 11.889 -1.233 -2.350 1.00 23.30 C ATOM 1356 OE1 GLU A 89 12.429 -1.095 -1.227 1.00 65.43 O ATOM 1357 OE2 GLU A 89 12.485 -0.944 -3.414 1.00 32.43 O ATOM 0 H GLU A 89 6.905 0.474 -1.751 1.00 3.34 H new ATOM 0 HA GLU A 89 7.896 -1.678 -3.545 1.00 21.10 H new ATOM 0 HB2 GLU A 89 9.610 0.094 -3.125 1.00 65.25 H new ATOM 0 HB3 GLU A 89 9.444 -0.159 -1.399 1.00 65.25 H new ATOM 0 HG2 GLU A 89 10.289 -2.461 -1.606 1.00 64.20 H new ATOM 0 HG3 GLU A 89 10.332 -2.325 -3.353 1.00 64.20 H new ATOM 1364 N GLN A 90 7.782 -3.450 -1.736 1.00 34.22 N ATOM 1365 CA GLN A 90 7.563 -4.508 -0.756 1.00 54.22 C ATOM 1366 C GLN A 90 8.811 -4.647 0.128 1.00 15.23 C ATOM 1367 O GLN A 90 9.903 -4.953 -0.366 1.00 71.14 O ATOM 1368 CB GLN A 90 7.265 -5.866 -1.444 1.00 34.42 C ATOM 1369 CG GLN A 90 7.009 -7.017 -0.443 1.00 62.40 C ATOM 1370 CD GLN A 90 6.940 -8.399 -1.080 1.00 32.33 C ATOM 1371 OE1 GLN A 90 7.574 -8.659 -2.100 1.00 53.21 O ATOM 1372 NE2 GLN A 90 6.185 -9.299 -0.473 1.00 32.53 N ATOM 0 H GLN A 90 8.129 -3.786 -2.634 1.00 34.22 H new ATOM 0 HA GLN A 90 6.698 -4.238 -0.150 1.00 54.22 H new ATOM 0 HB2 GLN A 90 6.394 -5.755 -2.089 1.00 34.42 H new ATOM 0 HB3 GLN A 90 8.105 -6.132 -2.086 1.00 34.42 H new ATOM 0 HG2 GLN A 90 7.801 -7.014 0.306 1.00 62.40 H new ATOM 0 HG3 GLN A 90 6.073 -6.825 0.082 1.00 62.40 H new ATOM 0 HE21 GLN A 90 5.672 -9.048 0.372 1.00 32.53 H new ATOM 0 HE22 GLN A 90 6.115 -10.244 -0.850 1.00 32.53 H new ATOM 1381 N VAL A 91 8.638 -4.377 1.416 1.00 21.10 N ATOM 1382 CA VAL A 91 9.589 -4.758 2.471 1.00 71.00 C ATOM 1383 C VAL A 91 8.939 -5.880 3.291 1.00 72.34 C ATOM 1384 O VAL A 91 7.706 -5.952 3.371 1.00 73.43 O ATOM 1385 CB VAL A 91 9.976 -3.536 3.387 1.00 62.13 C ATOM 1386 CG1 VAL A 91 10.912 -2.562 2.630 1.00 0.13 C ATOM 1387 CG2 VAL A 91 8.722 -2.791 3.900 1.00 43.22 C ATOM 0 H VAL A 91 7.821 -3.879 1.770 1.00 21.10 H new ATOM 0 HA VAL A 91 10.521 -5.101 2.021 1.00 71.00 H new ATOM 0 HB VAL A 91 10.507 -3.929 4.254 1.00 62.13 H new ATOM 0 HG11 VAL A 91 11.168 -1.725 3.279 1.00 0.13 H new ATOM 0 HG12 VAL A 91 11.822 -3.086 2.337 1.00 0.13 H new ATOM 0 HG13 VAL A 91 10.406 -2.189 1.740 1.00 0.13 H new ATOM 0 HG21 VAL A 91 9.027 -1.954 4.528 1.00 43.22 H new ATOM 0 HG22 VAL A 91 8.148 -2.417 3.052 1.00 43.22 H new ATOM 0 HG23 VAL A 91 8.105 -3.475 4.482 1.00 43.22 H new ATOM 1397 N MET A 92 9.746 -6.778 3.872 1.00 4.51 N ATOM 1398 CA MET A 92 9.230 -7.992 4.541 1.00 11.33 C ATOM 1399 C MET A 92 9.965 -8.243 5.864 1.00 31.45 C ATOM 1400 O MET A 92 11.147 -8.608 5.863 1.00 62.01 O ATOM 1401 CB MET A 92 9.368 -9.228 3.603 1.00 61.42 C ATOM 1402 CG MET A 92 8.505 -9.178 2.334 1.00 65.32 C ATOM 1403 SD MET A 92 8.716 -10.628 1.278 1.00 43.30 S ATOM 1404 CE MET A 92 8.058 -11.937 2.309 1.00 22.23 C ATOM 0 H MET A 92 10.762 -6.691 3.895 1.00 4.51 H new ATOM 0 HA MET A 92 8.174 -7.835 4.762 1.00 11.33 H new ATOM 0 HB2 MET A 92 10.413 -9.328 3.310 1.00 61.42 H new ATOM 0 HB3 MET A 92 9.108 -10.124 4.166 1.00 61.42 H new ATOM 0 HG2 MET A 92 7.456 -9.092 2.618 1.00 65.32 H new ATOM 0 HG3 MET A 92 8.756 -8.282 1.766 1.00 65.32 H new ATOM 0 HE1 MET A 92 7.862 -12.818 1.698 1.00 22.23 H new ATOM 0 HE2 MET A 92 8.782 -12.188 3.085 1.00 22.23 H new ATOM 0 HE3 MET A 92 7.130 -11.603 2.773 1.00 22.23 H new ATOM 1414 N ASP A 93 9.266 -8.014 6.992 1.00 0.22 N ATOM 1415 CA ASP A 93 9.724 -8.454 8.327 1.00 34.13 C ATOM 1416 C ASP A 93 9.348 -9.930 8.525 1.00 75.11 C ATOM 1417 O ASP A 93 8.337 -10.267 9.161 1.00 43.35 O ATOM 1418 CB ASP A 93 9.154 -7.554 9.461 1.00 35.32 C ATOM 1419 CG ASP A 93 9.881 -6.204 9.585 1.00 30.42 C ATOM 1420 OD1 ASP A 93 10.980 -6.171 10.181 1.00 21.31 O ATOM 1421 OD2 ASP A 93 9.363 -5.178 9.097 1.00 63.42 O ATOM 0 H ASP A 93 8.373 -7.522 7.006 1.00 0.22 H new ATOM 0 HA ASP A 93 10.808 -8.354 8.380 1.00 34.13 H new ATOM 0 HB2 ASP A 93 8.095 -7.374 9.276 1.00 35.32 H new ATOM 0 HB3 ASP A 93 9.225 -8.086 10.409 1.00 35.32 H new ATOM 1426 N ASP A 94 10.145 -10.795 7.886 1.00 73.24 N ATOM 1427 CA ASP A 94 9.987 -12.260 7.923 1.00 42.31 C ATOM 1428 C ASP A 94 11.359 -12.894 8.161 1.00 23.24 C ATOM 1429 O ASP A 94 12.392 -12.261 7.898 1.00 62.23 O ATOM 1430 CB ASP A 94 9.357 -12.790 6.600 1.00 44.03 C ATOM 1431 CG ASP A 94 7.945 -12.232 6.338 1.00 73.13 C ATOM 1432 OD1 ASP A 94 7.816 -11.151 5.732 1.00 31.12 O ATOM 1433 OD2 ASP A 94 6.954 -12.859 6.757 1.00 71.25 O ATOM 0 H ASP A 94 10.935 -10.493 7.316 1.00 73.24 H new ATOM 0 HA ASP A 94 9.310 -12.530 8.734 1.00 42.31 H new ATOM 0 HB2 ASP A 94 10.006 -12.527 5.765 1.00 44.03 H new ATOM 0 HB3 ASP A 94 9.310 -13.878 6.637 1.00 44.03 H new ATOM 1438 N GLU A 95 11.369 -14.144 8.641 1.00 53.41 N ATOM 1439 CA GLU A 95 12.610 -14.846 9.032 1.00 23.21 C ATOM 1440 C GLU A 95 13.407 -15.249 7.774 1.00 13.22 C ATOM 1441 O GLU A 95 14.581 -14.891 7.629 1.00 4.10 O ATOM 1442 CB GLU A 95 12.258 -16.081 9.915 1.00 33.12 C ATOM 1443 CG GLU A 95 11.194 -15.826 11.023 1.00 53.31 C ATOM 1444 CD GLU A 95 11.571 -14.727 12.039 1.00 51.31 C ATOM 1445 OE1 GLU A 95 11.440 -13.528 11.717 1.00 11.51 O ATOM 1446 OE2 GLU A 95 11.999 -15.053 13.164 1.00 31.21 O ATOM 0 H GLU A 95 10.524 -14.700 8.771 1.00 53.41 H new ATOM 0 HA GLU A 95 13.241 -14.181 9.622 1.00 23.21 H new ATOM 0 HB2 GLU A 95 11.899 -16.880 9.266 1.00 33.12 H new ATOM 0 HB3 GLU A 95 13.172 -16.441 10.388 1.00 33.12 H new ATOM 0 HG2 GLU A 95 10.252 -15.554 10.547 1.00 53.31 H new ATOM 0 HG3 GLU A 95 11.021 -16.757 11.563 1.00 53.31 H new ATOM 1453 N SER A 96 12.722 -15.974 6.879 1.00 70.30 N ATOM 1454 CA SER A 96 13.233 -16.389 5.561 1.00 43.24 C ATOM 1455 C SER A 96 12.093 -17.068 4.779 1.00 62.43 C ATOM 1456 O SER A 96 10.997 -17.266 5.328 1.00 40.21 O ATOM 1457 CB SER A 96 14.448 -17.350 5.705 1.00 61.52 C ATOM 1458 OG SER A 96 15.036 -17.658 4.451 1.00 4.14 O ATOM 0 H SER A 96 11.771 -16.298 7.055 1.00 70.30 H new ATOM 0 HA SER A 96 13.579 -15.510 5.018 1.00 43.24 H new ATOM 0 HB2 SER A 96 15.196 -16.894 6.353 1.00 61.52 H new ATOM 0 HB3 SER A 96 14.125 -18.271 6.190 1.00 61.52 H new ATOM 0 HG SER A 96 15.796 -18.262 4.586 1.00 4.14 H new ATOM 1464 N ASP A 97 12.356 -17.410 3.504 1.00 5.04 N ATOM 1465 CA ASP A 97 11.402 -18.150 2.659 1.00 22.43 C ATOM 1466 C ASP A 97 11.213 -19.599 3.192 1.00 65.31 C ATOM 1467 O ASP A 97 12.227 -20.277 3.483 1.00 51.21 O ATOM 1468 CB ASP A 97 11.847 -18.135 1.166 1.00 3.01 C ATOM 1469 CG ASP A 97 13.208 -18.817 0.892 1.00 61.22 C ATOM 1470 OD1 ASP A 97 14.256 -18.242 1.261 1.00 44.03 O ATOM 1471 OD2 ASP A 97 13.241 -19.930 0.314 1.00 35.42 O ATOM 1472 OXT ASP A 97 10.057 -20.049 3.332 1.00 37.80 O ATOM 0 H ASP A 97 13.232 -17.182 3.033 1.00 5.04 H new ATOM 0 HA ASP A 97 10.435 -17.650 2.709 1.00 22.43 H new ATOM 0 HB2 ASP A 97 11.081 -18.629 0.568 1.00 3.01 H new ATOM 0 HB3 ASP A 97 11.899 -17.100 0.827 1.00 3.01 H new TER 1477 ASP A 97