USER MOD reduce.3.24.130724 H: found=0, std=0, add=927, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 927 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 59 LYS NZ :NH3+ -146:sc= 1.1 (180deg=0.363) USER MOD Set 1.2: A 69 TYR OH : rot 180:sc= 0.677 USER MOD Set 2.1: A 47 HIS : no HE2:sc=-0.00627 K(o=-0.32,f=-0.83) USER MOD Set 2.2: A 48 GLN : amide:sc= -0.31 X(o=-0.32,f=-0.055) USER MOD Set 3.1: A 7 HIS : no HE2:sc= 0.433 K(o=0.95,f=-2) USER MOD Set 3.2: A 9 SER OG : rot -31:sc= 0.52 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -146:sc= 0.928 (180deg=-0.0318) USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=-0.0038) USER MOD Single : A 4 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 5 HIS : no HD1:sc= -0.0783 X(o=-0.078,f=-0.0078) USER MOD Single : A 6 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 8 HIS : no HD1:sc=-0.00268 X(o=-0.0027,f=-0.0056) USER MOD Single : A 10 HIS : no HD1:sc= 0 X(o=0,f=-0.0058) USER MOD Single : A 11 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ 172:sc= -0.0055 (180deg=-0.092) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= 0 X(o=0,f=-0.29) USER MOD Single : A 18 MET CE :methyl 165:sc=-0.00205 (180deg=-0.179) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 THR OG1 : rot 82:sc= 0.389 USER MOD Single : A 29 TYR OH : rot -52:sc= 0.00291 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 46 HIS : no HD1:sc= -0.309 K(o=-0.31,f=-3.6!) USER MOD Single : A 56 CYS SG : rot 180:sc= -0.307 USER MOD Single : A 58 THR OG1 : rot 58:sc= 1.23 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 THR OG1 : rot 180:sc= 0.00511 USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 GLN : amide:sc= -0.0578 X(o=-0.058,f=-0.47) USER MOD Single : A 76 ASN : amide:sc= -0.441 X(o=-0.44,f=-0.38) USER MOD Single : A 79 LYS NZ :NH3+ -171:sc= -0.383 (180deg=-0.503) USER MOD Single : A 82 GLN :FLIP amide:sc= -0.0528 F(o=-2.2!,f=-0.053) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot 180:sc= -0.0357 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 97 THR OG1 : rot 86:sc= 0.286 USER MOD Single : A 98 GLN : amide:sc= 0 X(o=0,f=-0.46) USER MOD Single : A 101 LYS NZ :NH3+ -160:sc= -0.0764 (180deg=-0.428) USER MOD Single : A 102 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00366) USER MOD Single : A 108 SER OG : rot -103:sc= 0.541 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 12.875 15.819 -6.573 1.00 71.13 N ATOM 2 CA MET A 1 13.721 16.773 -7.334 1.00 34.34 C ATOM 3 C MET A 1 12.991 18.111 -7.517 1.00 54.32 C ATOM 4 O MET A 1 11.772 18.192 -7.320 1.00 72.22 O ATOM 5 CB MET A 1 14.103 16.197 -8.731 1.00 51.44 C ATOM 6 CG MET A 1 14.861 14.875 -8.717 1.00 60.31 C ATOM 7 SD MET A 1 15.297 14.332 -10.386 1.00 54.42 S ATOM 8 CE MET A 1 16.269 12.863 -10.057 1.00 24.13 C ATOM 0 H1 MET A 1 13.479 15.217 -5.978 1.00 71.13 H new ATOM 0 H2 MET A 1 12.212 16.347 -5.971 1.00 71.13 H new ATOM 0 H3 MET A 1 12.340 15.223 -7.237 1.00 71.13 H new ATOM 0 HA MET A 1 14.634 16.933 -6.760 1.00 34.34 H new ATOM 0 HB2 MET A 1 13.190 16.065 -9.311 1.00 51.44 H new ATOM 0 HB3 MET A 1 14.709 16.936 -9.255 1.00 51.44 H new ATOM 0 HG2 MET A 1 15.768 14.982 -8.121 1.00 60.31 H new ATOM 0 HG3 MET A 1 14.251 14.111 -8.234 1.00 60.31 H new ATOM 0 HE1 MET A 1 16.601 12.428 -11.000 1.00 24.13 H new ATOM 0 HE2 MET A 1 17.137 13.129 -9.454 1.00 24.13 H new ATOM 0 HE3 MET A 1 15.661 12.137 -9.517 1.00 24.13 H new ATOM 20 N GLY A 2 13.757 19.159 -7.893 1.00 44.53 N ATOM 21 CA GLY A 2 13.190 20.439 -8.323 1.00 14.32 C ATOM 22 C GLY A 2 12.989 21.445 -7.200 1.00 32.42 C ATOM 23 O GLY A 2 11.921 21.492 -6.587 1.00 44.21 O ATOM 0 H GLY A 2 14.777 19.134 -7.904 1.00 44.53 H new ATOM 0 HA2 GLY A 2 13.845 20.878 -9.075 1.00 14.32 H new ATOM 0 HA3 GLY A 2 12.230 20.254 -8.805 1.00 14.32 H new ATOM 27 N HIS A 3 14.029 22.245 -6.921 1.00 15.22 N ATOM 28 CA HIS A 3 13.913 23.444 -6.079 1.00 45.25 C ATOM 29 C HIS A 3 13.826 24.668 -6.997 1.00 51.00 C ATOM 30 O HIS A 3 14.810 25.033 -7.652 1.00 4.33 O ATOM 31 CB HIS A 3 15.105 23.569 -5.097 1.00 62.10 C ATOM 32 CG HIS A 3 15.076 22.562 -3.975 1.00 4.43 C ATOM 33 ND1 HIS A 3 16.101 21.680 -3.703 1.00 2.20 N ATOM 34 CD2 HIS A 3 14.122 22.319 -3.041 1.00 3.53 C ATOM 35 CE1 HIS A 3 15.778 20.945 -2.657 1.00 60.22 C ATOM 36 NE2 HIS A 3 14.585 21.312 -2.239 1.00 71.10 N ATOM 0 H HIS A 3 14.972 22.079 -7.272 1.00 15.22 H new ATOM 0 HA HIS A 3 13.014 23.372 -5.467 1.00 45.25 H new ATOM 0 HB2 HIS A 3 16.035 23.453 -5.653 1.00 62.10 H new ATOM 0 HB3 HIS A 3 15.110 24.573 -4.672 1.00 62.10 H new ATOM 0 HD2 HIS A 3 13.173 22.826 -2.948 1.00 3.53 H new ATOM 0 HE1 HIS A 3 16.390 20.171 -2.217 1.00 60.22 H new ATOM 0 HE2 HIS A 3 14.086 20.910 -1.445 1.00 71.10 H new ATOM 45 N HIS A 4 12.633 25.274 -7.054 1.00 64.34 N ATOM 46 CA HIS A 4 12.332 26.395 -7.959 1.00 51.41 C ATOM 47 C HIS A 4 11.353 27.347 -7.255 1.00 42.51 C ATOM 48 O HIS A 4 11.524 28.571 -7.263 1.00 44.20 O ATOM 49 CB HIS A 4 11.724 25.840 -9.275 1.00 31.52 C ATOM 50 CG HIS A 4 11.527 26.855 -10.371 1.00 14.50 C ATOM 51 ND1 HIS A 4 12.458 27.065 -11.366 1.00 72.05 N ATOM 52 CD2 HIS A 4 10.504 27.709 -10.635 1.00 13.25 C ATOM 53 CE1 HIS A 4 12.021 27.997 -12.188 1.00 54.11 C ATOM 54 NE2 HIS A 4 10.841 28.400 -11.768 1.00 31.21 N ATOM 0 H HIS A 4 11.843 25.000 -6.470 1.00 64.34 H new ATOM 0 HA HIS A 4 13.240 26.945 -8.207 1.00 51.41 H new ATOM 0 HB2 HIS A 4 12.371 25.047 -9.649 1.00 31.52 H new ATOM 0 HB3 HIS A 4 10.761 25.384 -9.047 1.00 31.52 H new ATOM 0 HD2 HIS A 4 9.597 27.822 -10.060 1.00 13.25 H new ATOM 0 HE1 HIS A 4 12.542 28.367 -13.058 1.00 54.11 H new ATOM 0 HE2 HIS A 4 10.268 29.115 -12.216 1.00 31.21 H new ATOM 63 N HIS A 5 10.318 26.744 -6.655 1.00 22.32 N ATOM 64 CA HIS A 5 9.295 27.430 -5.853 1.00 0.43 C ATOM 65 C HIS A 5 9.109 26.629 -4.560 1.00 4.13 C ATOM 66 O HIS A 5 8.915 25.409 -4.616 1.00 53.20 O ATOM 67 CB HIS A 5 7.963 27.508 -6.654 1.00 4.11 C ATOM 68 CG HIS A 5 6.809 28.220 -5.969 1.00 54.44 C ATOM 69 ND1 HIS A 5 6.256 29.392 -6.448 1.00 42.32 N ATOM 70 CD2 HIS A 5 6.059 27.889 -4.877 1.00 40.54 C ATOM 71 CE1 HIS A 5 5.240 29.740 -5.685 1.00 5.42 C ATOM 72 NE2 HIS A 5 5.100 28.849 -4.730 1.00 22.22 N ATOM 0 H HIS A 5 10.165 25.737 -6.716 1.00 22.32 H new ATOM 0 HA HIS A 5 9.600 28.450 -5.618 1.00 0.43 H new ATOM 0 HB2 HIS A 5 8.162 28.010 -7.601 1.00 4.11 H new ATOM 0 HB3 HIS A 5 7.646 26.493 -6.892 1.00 4.11 H new ATOM 0 HD2 HIS A 5 6.199 27.025 -4.245 1.00 40.54 H new ATOM 0 HE1 HIS A 5 4.623 30.615 -5.822 1.00 5.42 H new ATOM 0 HE2 HIS A 5 4.390 28.871 -3.998 1.00 22.22 H new ATOM 81 N HIS A 6 9.169 27.305 -3.400 1.00 10.55 N ATOM 82 CA HIS A 6 8.909 26.661 -2.096 1.00 32.34 C ATOM 83 C HIS A 6 8.112 27.583 -1.167 1.00 50.43 C ATOM 84 O HIS A 6 8.011 28.792 -1.387 1.00 31.31 O ATOM 85 CB HIS A 6 10.229 26.185 -1.418 1.00 30.33 C ATOM 86 CG HIS A 6 11.202 27.269 -0.997 1.00 71.55 C ATOM 87 ND1 HIS A 6 12.357 27.543 -1.697 1.00 41.30 N ATOM 88 CD2 HIS A 6 11.223 28.103 0.082 1.00 70.31 C ATOM 89 CE1 HIS A 6 13.039 28.487 -1.076 1.00 65.42 C ATOM 90 NE2 HIS A 6 12.375 28.845 0.004 1.00 13.13 N ATOM 0 H HIS A 6 9.395 28.298 -3.336 1.00 10.55 H new ATOM 0 HA HIS A 6 8.301 25.777 -2.288 1.00 32.34 H new ATOM 0 HB2 HIS A 6 9.968 25.600 -0.536 1.00 30.33 H new ATOM 0 HB3 HIS A 6 10.743 25.513 -2.106 1.00 30.33 H new ATOM 0 HD2 HIS A 6 10.472 28.168 0.855 1.00 70.31 H new ATOM 0 HE1 HIS A 6 13.984 28.898 -1.399 1.00 65.42 H new ATOM 0 HE2 HIS A 6 12.669 29.557 0.673 1.00 13.13 H new ATOM 99 N HIS A 7 7.547 26.964 -0.127 1.00 72.14 N ATOM 100 CA HIS A 7 6.834 27.643 0.964 1.00 11.41 C ATOM 101 C HIS A 7 6.883 26.725 2.199 1.00 52.42 C ATOM 102 O HIS A 7 7.567 25.687 2.173 1.00 51.34 O ATOM 103 CB HIS A 7 5.368 27.973 0.548 1.00 22.01 C ATOM 104 CG HIS A 7 4.473 26.764 0.363 1.00 54.14 C ATOM 105 ND1 HIS A 7 4.497 25.964 -0.762 1.00 74.33 N ATOM 106 CD2 HIS A 7 3.536 26.216 1.180 1.00 5.35 C ATOM 107 CE1 HIS A 7 3.619 24.986 -0.623 1.00 71.32 C ATOM 108 NE2 HIS A 7 3.029 25.118 0.544 1.00 53.50 N ATOM 0 H HIS A 7 7.572 25.950 -0.015 1.00 72.14 H new ATOM 0 HA HIS A 7 7.310 28.595 1.197 1.00 11.41 H new ATOM 0 HB2 HIS A 7 4.927 28.621 1.305 1.00 22.01 H new ATOM 0 HB3 HIS A 7 5.388 28.539 -0.383 1.00 22.01 H new ATOM 0 HD1 HIS A 7 5.098 26.106 -1.574 1.00 74.33 H new ATOM 0 HD2 HIS A 7 3.245 26.581 2.154 1.00 5.35 H new ATOM 0 HE1 HIS A 7 3.420 24.209 -1.346 1.00 71.32 H new ATOM 117 N HIS A 8 6.177 27.091 3.279 1.00 12.31 N ATOM 118 CA HIS A 8 6.051 26.236 4.476 1.00 53.01 C ATOM 119 C HIS A 8 4.573 26.000 4.804 1.00 34.11 C ATOM 120 O HIS A 8 3.870 26.925 5.216 1.00 35.21 O ATOM 121 CB HIS A 8 6.814 26.855 5.675 1.00 70.03 C ATOM 122 CG HIS A 8 8.314 26.698 5.568 1.00 33.53 C ATOM 123 ND1 HIS A 8 9.203 27.751 5.576 1.00 51.23 N ATOM 124 CD2 HIS A 8 9.071 25.580 5.452 1.00 30.35 C ATOM 125 CE1 HIS A 8 10.433 27.288 5.469 1.00 50.23 C ATOM 126 NE2 HIS A 8 10.377 25.980 5.394 1.00 54.32 N ATOM 0 H HIS A 8 5.680 27.979 3.351 1.00 12.31 H new ATOM 0 HA HIS A 8 6.506 25.267 4.268 1.00 53.01 H new ATOM 0 HB2 HIS A 8 6.570 27.915 5.745 1.00 70.03 H new ATOM 0 HB3 HIS A 8 6.470 26.387 6.597 1.00 70.03 H new ATOM 0 HD2 HIS A 8 8.710 24.563 5.413 1.00 30.35 H new ATOM 0 HE1 HIS A 8 11.333 27.884 5.447 1.00 50.23 H new ATOM 0 HE2 HIS A 8 11.181 25.359 5.306 1.00 54.32 H new ATOM 135 N SER A 9 4.115 24.759 4.577 1.00 31.23 N ATOM 136 CA SER A 9 2.734 24.339 4.835 1.00 35.13 C ATOM 137 C SER A 9 2.514 24.109 6.343 1.00 71.34 C ATOM 138 O SER A 9 3.346 23.483 7.007 1.00 74.50 O ATOM 139 CB SER A 9 2.434 23.054 4.036 1.00 63.24 C ATOM 140 OG SER A 9 2.713 23.242 2.657 1.00 30.04 O ATOM 0 H SER A 9 4.702 24.013 4.205 1.00 31.23 H new ATOM 0 HA SER A 9 2.051 25.125 4.514 1.00 35.13 H new ATOM 0 HB2 SER A 9 3.034 22.231 4.424 1.00 63.24 H new ATOM 0 HB3 SER A 9 1.388 22.775 4.166 1.00 63.24 H new ATOM 0 HG SER A 9 2.549 24.177 2.415 1.00 30.04 H new ATOM 146 N HIS A 10 1.416 24.655 6.879 1.00 33.22 N ATOM 147 CA HIS A 10 0.996 24.439 8.286 1.00 20.13 C ATOM 148 C HIS A 10 -0.437 23.889 8.312 1.00 72.31 C ATOM 149 O HIS A 10 -0.838 23.218 9.270 1.00 51.20 O ATOM 150 CB HIS A 10 1.114 25.750 9.087 1.00 72.20 C ATOM 151 CG HIS A 10 2.525 26.295 9.155 1.00 51.44 C ATOM 152 ND1 HIS A 10 3.059 27.119 8.187 1.00 54.24 N ATOM 153 CD2 HIS A 10 3.518 26.106 10.063 1.00 12.21 C ATOM 154 CE1 HIS A 10 4.306 27.413 8.497 1.00 44.52 C ATOM 155 NE2 HIS A 10 4.612 26.813 9.625 1.00 65.21 N ATOM 0 H HIS A 10 0.786 25.262 6.355 1.00 33.22 H new ATOM 0 HA HIS A 10 1.653 23.708 8.757 1.00 20.13 H new ATOM 0 HB2 HIS A 10 0.465 26.501 8.636 1.00 72.20 H new ATOM 0 HB3 HIS A 10 0.750 25.581 10.100 1.00 72.20 H new ATOM 0 HD2 HIS A 10 3.459 25.511 10.962 1.00 12.21 H new ATOM 0 HE1 HIS A 10 4.967 28.043 7.919 1.00 44.52 H new ATOM 0 HE2 HIS A 10 5.514 26.864 10.098 1.00 65.21 H new ATOM 164 N MET A 11 -1.204 24.210 7.250 1.00 23.11 N ATOM 165 CA MET A 11 -2.447 23.512 6.874 1.00 61.45 C ATOM 166 C MET A 11 -2.145 22.614 5.641 1.00 1.01 C ATOM 167 O MET A 11 -2.270 23.074 4.496 1.00 33.13 O ATOM 168 CB MET A 11 -3.586 24.521 6.511 1.00 45.42 C ATOM 169 CG MET A 11 -4.142 25.373 7.660 1.00 15.50 C ATOM 170 SD MET A 11 -5.369 26.569 7.069 1.00 75.11 S ATOM 171 CE MET A 11 -5.962 27.285 8.602 1.00 13.21 C ATOM 0 H MET A 11 -0.971 24.977 6.619 1.00 23.11 H new ATOM 0 HA MET A 11 -2.787 22.917 7.721 1.00 61.45 H new ATOM 0 HB2 MET A 11 -3.212 25.193 5.739 1.00 45.42 H new ATOM 0 HB3 MET A 11 -4.411 23.960 6.073 1.00 45.42 H new ATOM 0 HG2 MET A 11 -4.597 24.724 8.408 1.00 15.50 H new ATOM 0 HG3 MET A 11 -3.325 25.901 8.151 1.00 15.50 H new ATOM 0 HE1 MET A 11 -6.721 28.036 8.383 1.00 13.21 H new ATOM 0 HE2 MET A 11 -6.395 26.503 9.226 1.00 13.21 H new ATOM 0 HE3 MET A 11 -5.131 27.752 9.131 1.00 13.21 H new ATOM 181 N PRO A 12 -1.693 21.337 5.844 1.00 2.43 N ATOM 182 CA PRO A 12 -1.394 20.408 4.739 1.00 51.03 C ATOM 183 C PRO A 12 -2.604 19.507 4.391 1.00 43.22 C ATOM 184 O PRO A 12 -3.399 19.131 5.272 1.00 4.22 O ATOM 185 CB PRO A 12 -0.198 19.607 5.321 1.00 72.34 C ATOM 186 CG PRO A 12 -0.403 19.600 6.827 1.00 33.50 C ATOM 187 CD PRO A 12 -1.432 20.679 7.154 1.00 34.21 C ATOM 0 HA PRO A 12 -1.169 20.900 3.793 1.00 51.03 H new ATOM 0 HB2 PRO A 12 -0.176 18.592 4.924 1.00 72.34 H new ATOM 0 HB3 PRO A 12 0.751 20.073 5.057 1.00 72.34 H new ATOM 0 HG2 PRO A 12 -0.752 18.623 7.162 1.00 33.50 H new ATOM 0 HG3 PRO A 12 0.537 19.797 7.343 1.00 33.50 H new ATOM 0 HD2 PRO A 12 -2.342 20.249 7.573 1.00 34.21 H new ATOM 0 HD3 PRO A 12 -1.048 21.388 7.887 1.00 34.21 H new ATOM 195 N LYS A 13 -2.749 19.173 3.103 1.00 60.32 N ATOM 196 CA LYS A 13 -3.774 18.229 2.628 1.00 51.43 C ATOM 197 C LYS A 13 -3.277 16.804 2.855 1.00 20.00 C ATOM 198 O LYS A 13 -2.701 16.173 1.950 1.00 54.11 O ATOM 199 CB LYS A 13 -4.131 18.497 1.145 1.00 62.13 C ATOM 200 CG LYS A 13 -5.023 19.732 0.937 1.00 20.51 C ATOM 201 CD LYS A 13 -5.488 19.887 -0.525 1.00 73.34 C ATOM 202 CE LYS A 13 -6.456 21.064 -0.701 1.00 54.11 C ATOM 203 NZ LYS A 13 -5.832 22.354 -0.308 1.00 61.42 N ATOM 0 H LYS A 13 -2.160 19.548 2.359 1.00 60.32 H new ATOM 0 HA LYS A 13 -4.695 18.368 3.194 1.00 51.43 H new ATOM 0 HB2 LYS A 13 -3.210 18.625 0.576 1.00 62.13 H new ATOM 0 HB3 LYS A 13 -4.637 17.622 0.739 1.00 62.13 H new ATOM 0 HG2 LYS A 13 -5.895 19.659 1.586 1.00 20.51 H new ATOM 0 HG3 LYS A 13 -4.476 20.626 1.237 1.00 20.51 H new ATOM 0 HD2 LYS A 13 -4.620 20.033 -1.168 1.00 73.34 H new ATOM 0 HD3 LYS A 13 -5.974 18.967 -0.850 1.00 73.34 H new ATOM 0 HE2 LYS A 13 -6.778 21.118 -1.741 1.00 54.11 H new ATOM 0 HE3 LYS A 13 -7.349 20.894 -0.099 1.00 54.11 H new ATOM 0 HZ1 LYS A 13 -6.464 23.138 -0.566 1.00 61.42 H new ATOM 0 HZ2 LYS A 13 -5.671 22.363 0.719 1.00 61.42 H new ATOM 0 HZ3 LYS A 13 -4.923 22.465 -0.802 1.00 61.42 H new ATOM 217 N ALA A 14 -3.413 16.367 4.133 1.00 21.24 N ATOM 218 CA ALA A 14 -3.022 15.031 4.631 1.00 22.55 C ATOM 219 C ALA A 14 -1.489 14.823 4.656 1.00 65.22 C ATOM 220 O ALA A 14 -1.028 13.946 5.362 1.00 25.14 O ATOM 221 CB ALA A 14 -3.719 13.898 3.832 1.00 44.11 C ATOM 0 H ALA A 14 -3.811 16.956 4.865 1.00 21.24 H new ATOM 0 HA ALA A 14 -3.365 14.983 5.665 1.00 22.55 H new ATOM 0 HB1 ALA A 14 -3.408 12.930 4.226 1.00 44.11 H new ATOM 0 HB2 ALA A 14 -4.800 13.998 3.927 1.00 44.11 H new ATOM 0 HB3 ALA A 14 -3.439 13.969 2.781 1.00 44.11 H new ATOM 227 N THR A 15 -0.730 15.696 3.961 1.00 64.14 N ATOM 228 CA THR A 15 0.623 15.405 3.454 1.00 14.42 C ATOM 229 C THR A 15 1.623 14.933 4.534 1.00 11.50 C ATOM 230 O THR A 15 2.208 13.873 4.378 1.00 45.23 O ATOM 231 CB THR A 15 1.200 16.651 2.703 1.00 13.41 C ATOM 232 OG1 THR A 15 0.205 17.174 1.801 1.00 65.24 O ATOM 233 CG2 THR A 15 2.492 16.318 1.916 1.00 11.21 C ATOM 0 H THR A 15 -1.048 16.638 3.734 1.00 64.14 H new ATOM 0 HA THR A 15 0.504 14.566 2.768 1.00 14.42 H new ATOM 0 HB THR A 15 1.459 17.396 3.455 1.00 13.41 H new ATOM 0 HG1 THR A 15 0.566 17.955 1.332 1.00 65.24 H new ATOM 0 HG21 THR A 15 2.853 17.215 1.413 1.00 11.21 H new ATOM 0 HG22 THR A 15 3.255 15.957 2.605 1.00 11.21 H new ATOM 0 HG23 THR A 15 2.278 15.547 1.175 1.00 11.21 H new ATOM 241 N ALA A 16 1.792 15.719 5.622 1.00 2.43 N ATOM 242 CA ALA A 16 2.830 15.445 6.650 1.00 32.00 C ATOM 243 C ALA A 16 2.526 14.151 7.429 1.00 51.14 C ATOM 244 O ALA A 16 3.413 13.289 7.606 1.00 63.14 O ATOM 245 CB ALA A 16 2.964 16.647 7.600 1.00 21.24 C ATOM 0 H ALA A 16 1.226 16.546 5.813 1.00 2.43 H new ATOM 0 HA ALA A 16 3.783 15.297 6.141 1.00 32.00 H new ATOM 0 HB1 ALA A 16 3.727 16.435 8.349 1.00 21.24 H new ATOM 0 HB2 ALA A 16 3.250 17.531 7.030 1.00 21.24 H new ATOM 0 HB3 ALA A 16 2.010 16.828 8.095 1.00 21.24 H new ATOM 251 N GLN A 17 1.252 14.016 7.852 1.00 44.32 N ATOM 252 CA GLN A 17 0.765 12.834 8.573 1.00 12.33 C ATOM 253 C GLN A 17 0.846 11.610 7.659 1.00 10.45 C ATOM 254 O GLN A 17 1.343 10.592 8.067 1.00 22.34 O ATOM 255 CB GLN A 17 -0.692 13.045 9.064 1.00 12.20 C ATOM 256 CG GLN A 17 -0.853 14.146 10.135 1.00 3.54 C ATOM 257 CD GLN A 17 -2.292 14.331 10.617 1.00 64.33 C ATOM 258 OE1 GLN A 17 -3.086 13.388 10.661 1.00 61.41 O ATOM 259 NE2 GLN A 17 -2.636 15.555 10.983 1.00 44.10 N ATOM 0 H GLN A 17 0.536 14.727 7.701 1.00 44.32 H new ATOM 0 HA GLN A 17 1.393 12.674 9.449 1.00 12.33 H new ATOM 0 HB2 GLN A 17 -1.318 13.294 8.207 1.00 12.20 H new ATOM 0 HB3 GLN A 17 -1.066 12.104 9.469 1.00 12.20 H new ATOM 0 HG2 GLN A 17 -0.222 13.904 10.990 1.00 3.54 H new ATOM 0 HG3 GLN A 17 -0.491 15.091 9.729 1.00 3.54 H new ATOM 0 HE21 GLN A 17 -1.955 16.312 10.934 1.00 44.10 H new ATOM 0 HE22 GLN A 17 -3.583 15.741 11.314 1.00 44.10 H new ATOM 268 N MET A 18 0.421 11.779 6.394 1.00 40.43 N ATOM 269 CA MET A 18 0.414 10.707 5.370 1.00 32.53 C ATOM 270 C MET A 18 1.849 10.236 5.083 1.00 4.12 C ATOM 271 O MET A 18 2.083 9.064 4.872 1.00 4.40 O ATOM 272 CB MET A 18 -0.220 11.216 4.040 1.00 54.22 C ATOM 273 CG MET A 18 -0.364 10.160 2.922 1.00 72.34 C ATOM 274 SD MET A 18 -0.670 10.910 1.308 1.00 33.31 S ATOM 275 CE MET A 18 0.964 11.551 0.909 1.00 3.23 C ATOM 0 H MET A 18 0.068 12.671 6.046 1.00 40.43 H new ATOM 0 HA MET A 18 -0.178 9.879 5.759 1.00 32.53 H new ATOM 0 HB2 MET A 18 -1.207 11.622 4.261 1.00 54.22 H new ATOM 0 HB3 MET A 18 0.386 12.039 3.662 1.00 54.22 H new ATOM 0 HG2 MET A 18 0.543 9.558 2.875 1.00 72.34 H new ATOM 0 HG3 MET A 18 -1.183 9.484 3.167 1.00 72.34 H new ATOM 0 HE1 MET A 18 1.008 11.801 -0.151 1.00 3.23 H new ATOM 0 HE2 MET A 18 1.159 12.445 1.501 1.00 3.23 H new ATOM 0 HE3 MET A 18 1.716 10.795 1.135 1.00 3.23 H new ATOM 285 N GLU A 19 2.780 11.206 5.078 1.00 14.12 N ATOM 286 CA GLU A 19 4.212 11.001 4.767 1.00 11.20 C ATOM 287 C GLU A 19 4.819 10.089 5.849 1.00 71.41 C ATOM 288 O GLU A 19 5.327 8.988 5.571 1.00 24.30 O ATOM 289 CB GLU A 19 4.903 12.411 4.728 1.00 62.34 C ATOM 290 CG GLU A 19 6.234 12.533 3.953 1.00 64.14 C ATOM 291 CD GLU A 19 7.444 11.851 4.611 1.00 3.33 C ATOM 292 OE1 GLU A 19 7.772 12.203 5.759 1.00 65.14 O ATOM 293 OE2 GLU A 19 8.061 10.968 3.985 1.00 74.43 O ATOM 0 H GLU A 19 2.556 12.177 5.294 1.00 14.12 H new ATOM 0 HA GLU A 19 4.357 10.518 3.801 1.00 11.20 H new ATOM 0 HB2 GLU A 19 4.196 13.120 4.296 1.00 62.34 H new ATOM 0 HB3 GLU A 19 5.082 12.726 5.756 1.00 62.34 H new ATOM 0 HG2 GLU A 19 6.096 12.109 2.958 1.00 64.14 H new ATOM 0 HG3 GLU A 19 6.462 13.591 3.820 1.00 64.14 H new ATOM 300 N GLU A 20 4.670 10.540 7.103 1.00 54.12 N ATOM 301 CA GLU A 20 5.207 9.848 8.277 1.00 71.32 C ATOM 302 C GLU A 20 4.386 8.597 8.665 1.00 51.43 C ATOM 303 O GLU A 20 4.904 7.749 9.375 1.00 23.20 O ATOM 304 CB GLU A 20 5.361 10.839 9.458 1.00 3.41 C ATOM 305 CG GLU A 20 6.418 11.934 9.195 1.00 45.42 C ATOM 306 CD GLU A 20 6.629 12.889 10.374 1.00 51.23 C ATOM 307 OE1 GLU A 20 5.919 13.916 10.451 1.00 31.23 O ATOM 308 OE2 GLU A 20 7.501 12.621 11.233 1.00 20.45 O ATOM 0 H GLU A 20 4.170 11.400 7.329 1.00 54.12 H new ATOM 0 HA GLU A 20 6.196 9.473 8.015 1.00 71.32 H new ATOM 0 HB2 GLU A 20 4.399 11.311 9.656 1.00 3.41 H new ATOM 0 HB3 GLU A 20 5.636 10.285 10.356 1.00 3.41 H new ATOM 0 HG2 GLU A 20 7.368 11.458 8.952 1.00 45.42 H new ATOM 0 HG3 GLU A 20 6.118 12.512 8.321 1.00 45.42 H new ATOM 315 N LYS A 21 3.102 8.512 8.237 1.00 63.21 N ATOM 316 CA LYS A 21 2.257 7.295 8.418 1.00 23.12 C ATOM 317 C LYS A 21 2.673 6.234 7.406 1.00 72.13 C ATOM 318 O LYS A 21 2.659 5.046 7.709 1.00 31.15 O ATOM 319 CB LYS A 21 0.728 7.584 8.249 1.00 71.51 C ATOM 320 CG LYS A 21 0.041 8.228 9.471 1.00 75.34 C ATOM 321 CD LYS A 21 -1.446 8.545 9.196 1.00 31.25 C ATOM 322 CE LYS A 21 -2.141 9.198 10.392 1.00 65.10 C ATOM 323 NZ LYS A 21 -3.555 9.539 10.082 1.00 64.42 N ATOM 0 H LYS A 21 2.622 9.275 7.760 1.00 63.21 H new ATOM 0 HA LYS A 21 2.415 6.948 9.439 1.00 23.12 H new ATOM 0 HB2 LYS A 21 0.592 8.239 7.389 1.00 71.51 H new ATOM 0 HB3 LYS A 21 0.221 6.647 8.019 1.00 71.51 H new ATOM 0 HG2 LYS A 21 0.117 7.556 10.326 1.00 75.34 H new ATOM 0 HG3 LYS A 21 0.564 9.146 9.740 1.00 75.34 H new ATOM 0 HD2 LYS A 21 -1.519 9.207 8.333 1.00 31.25 H new ATOM 0 HD3 LYS A 21 -1.968 7.624 8.936 1.00 31.25 H new ATOM 0 HE2 LYS A 21 -2.108 8.522 11.247 1.00 65.10 H new ATOM 0 HE3 LYS A 21 -1.602 10.101 10.678 1.00 65.10 H new ATOM 0 HZ1 LYS A 21 -3.996 9.980 10.914 1.00 64.42 H new ATOM 0 HZ2 LYS A 21 -3.585 10.203 9.282 1.00 64.42 H new ATOM 0 HZ3 LYS A 21 -4.074 8.673 9.833 1.00 64.42 H new ATOM 337 N LEU A 22 3.010 6.688 6.194 1.00 43.13 N ATOM 338 CA LEU A 22 3.505 5.828 5.111 1.00 30.04 C ATOM 339 C LEU A 22 4.848 5.215 5.526 1.00 52.21 C ATOM 340 O LEU A 22 5.126 4.054 5.242 1.00 74.13 O ATOM 341 CB LEU A 22 3.605 6.681 3.818 1.00 1.21 C ATOM 342 CG LEU A 22 3.909 5.961 2.464 1.00 2.23 C ATOM 343 CD1 LEU A 22 3.421 6.825 1.275 1.00 31.11 C ATOM 344 CD2 LEU A 22 5.415 5.629 2.322 1.00 11.51 C ATOM 0 H LEU A 22 2.947 7.672 5.934 1.00 43.13 H new ATOM 0 HA LEU A 22 2.825 4.999 4.914 1.00 30.04 H new ATOM 0 HB2 LEU A 22 2.663 7.218 3.703 1.00 1.21 H new ATOM 0 HB3 LEU A 22 4.381 7.430 3.975 1.00 1.21 H new ATOM 0 HG LEU A 22 3.365 5.016 2.456 1.00 2.23 H new ATOM 0 HD11 LEU A 22 3.639 6.312 0.339 1.00 31.11 H new ATOM 0 HD12 LEU A 22 2.346 6.986 1.359 1.00 31.11 H new ATOM 0 HD13 LEU A 22 3.934 7.787 1.289 1.00 31.11 H new ATOM 0 HD21 LEU A 22 5.589 5.129 1.369 1.00 11.51 H new ATOM 0 HD22 LEU A 22 5.996 6.551 2.360 1.00 11.51 H new ATOM 0 HD23 LEU A 22 5.721 4.973 3.137 1.00 11.51 H new ATOM 356 N ARG A 23 5.676 6.033 6.188 1.00 15.34 N ATOM 357 CA ARG A 23 6.925 5.571 6.818 1.00 23.11 C ATOM 358 C ARG A 23 6.658 4.697 8.067 1.00 43.24 C ATOM 359 O ARG A 23 7.318 3.698 8.269 1.00 55.12 O ATOM 360 CB ARG A 23 7.790 6.797 7.169 1.00 13.51 C ATOM 361 CG ARG A 23 8.411 7.487 5.934 1.00 40.33 C ATOM 362 CD ARG A 23 8.910 8.900 6.245 1.00 32.54 C ATOM 363 NE ARG A 23 9.845 8.964 7.377 1.00 11.11 N ATOM 364 CZ ARG A 23 10.153 10.087 8.054 1.00 54.11 C ATOM 365 NH1 ARG A 23 9.616 11.263 7.721 1.00 64.03 N ATOM 366 NH2 ARG A 23 10.998 10.030 9.067 1.00 64.32 N ATOM 0 H ARG A 23 5.502 7.031 6.303 1.00 15.34 H new ATOM 0 HA ARG A 23 7.460 4.937 6.111 1.00 23.11 H new ATOM 0 HB2 ARG A 23 7.179 7.520 7.710 1.00 13.51 H new ATOM 0 HB3 ARG A 23 8.589 6.487 7.842 1.00 13.51 H new ATOM 0 HG2 ARG A 23 9.241 6.885 5.564 1.00 40.33 H new ATOM 0 HG3 ARG A 23 7.670 7.534 5.136 1.00 40.33 H new ATOM 0 HD2 ARG A 23 9.399 9.306 5.359 1.00 32.54 H new ATOM 0 HD3 ARG A 23 8.053 9.539 6.457 1.00 32.54 H new ATOM 0 HE ARG A 23 10.293 8.096 7.671 1.00 11.11 H new ATOM 0 HH11 ARG A 23 8.960 11.322 6.942 1.00 64.03 H new ATOM 0 HH12 ARG A 23 9.861 12.103 8.246 1.00 64.03 H new ATOM 0 HH21 ARG A 23 11.415 9.138 9.334 1.00 64.32 H new ATOM 0 HH22 ARG A 23 11.234 10.878 9.582 1.00 64.32 H new ATOM 380 N ASP A 24 5.663 5.081 8.874 1.00 32.41 N ATOM 381 CA ASP A 24 5.207 4.312 10.080 1.00 61.55 C ATOM 382 C ASP A 24 4.718 2.903 9.677 1.00 61.14 C ATOM 383 O ASP A 24 4.841 1.925 10.429 1.00 22.42 O ATOM 384 CB ASP A 24 4.104 5.150 10.801 1.00 61.24 C ATOM 385 CG ASP A 24 3.208 4.390 11.788 1.00 1.25 C ATOM 386 OD1 ASP A 24 3.662 4.045 12.894 1.00 34.43 O ATOM 387 OD2 ASP A 24 2.016 4.168 11.471 1.00 63.42 O ATOM 0 H ASP A 24 5.134 5.940 8.723 1.00 32.41 H new ATOM 0 HA ASP A 24 6.034 4.155 10.773 1.00 61.55 H new ATOM 0 HB2 ASP A 24 4.590 5.965 11.338 1.00 61.24 H new ATOM 0 HB3 ASP A 24 3.468 5.604 10.041 1.00 61.24 H new ATOM 392 N PHE A 25 4.205 2.845 8.455 1.00 14.13 N ATOM 393 CA PHE A 25 3.747 1.637 7.781 1.00 75.02 C ATOM 394 C PHE A 25 4.962 0.813 7.292 1.00 71.54 C ATOM 395 O PHE A 25 5.251 -0.264 7.827 1.00 51.35 O ATOM 396 CB PHE A 25 2.852 2.107 6.611 1.00 41.34 C ATOM 397 CG PHE A 25 2.206 1.043 5.752 1.00 61.34 C ATOM 398 CD1 PHE A 25 1.036 0.415 6.168 1.00 22.33 C ATOM 399 CD2 PHE A 25 2.727 0.725 4.498 1.00 53.44 C ATOM 400 CE1 PHE A 25 0.413 -0.502 5.364 1.00 34.12 C ATOM 401 CE2 PHE A 25 2.107 -0.200 3.699 1.00 51.03 C ATOM 402 CZ PHE A 25 0.945 -0.808 4.129 1.00 62.21 C ATOM 0 H PHE A 25 4.091 3.679 7.879 1.00 14.13 H new ATOM 0 HA PHE A 25 3.181 0.984 8.445 1.00 75.02 H new ATOM 0 HB2 PHE A 25 2.060 2.732 7.024 1.00 41.34 H new ATOM 0 HB3 PHE A 25 3.454 2.743 5.962 1.00 41.34 H new ATOM 0 HD1 PHE A 25 0.615 0.653 7.134 1.00 22.33 H new ATOM 0 HD2 PHE A 25 3.627 1.212 4.153 1.00 53.44 H new ATOM 0 HE1 PHE A 25 -0.494 -0.985 5.697 1.00 34.12 H new ATOM 0 HE2 PHE A 25 2.526 -0.452 2.736 1.00 51.03 H new ATOM 0 HZ PHE A 25 0.449 -1.528 3.494 1.00 62.21 H new ATOM 412 N THR A 26 5.708 1.403 6.339 1.00 70.45 N ATOM 413 CA THR A 26 6.796 0.742 5.603 1.00 12.30 C ATOM 414 C THR A 26 7.955 0.326 6.534 1.00 42.44 C ATOM 415 O THR A 26 8.309 -0.841 6.578 1.00 4.51 O ATOM 416 CB THR A 26 7.335 1.686 4.472 1.00 4.35 C ATOM 417 OG1 THR A 26 6.296 1.946 3.515 1.00 42.43 O ATOM 418 CG2 THR A 26 8.564 1.105 3.751 1.00 31.04 C ATOM 0 H THR A 26 5.566 2.372 6.055 1.00 70.45 H new ATOM 0 HA THR A 26 6.385 -0.165 5.159 1.00 12.30 H new ATOM 0 HB THR A 26 7.647 2.613 4.953 1.00 4.35 H new ATOM 0 HG1 THR A 26 5.711 2.657 3.852 1.00 42.43 H new ATOM 0 HG21 THR A 26 8.895 1.799 2.979 1.00 31.04 H new ATOM 0 HG22 THR A 26 9.369 0.952 4.470 1.00 31.04 H new ATOM 0 HG23 THR A 26 8.300 0.152 3.293 1.00 31.04 H new ATOM 426 N ARG A 27 8.500 1.308 7.284 1.00 44.42 N ATOM 427 CA ARG A 27 9.742 1.173 8.100 1.00 40.42 C ATOM 428 C ARG A 27 9.657 0.065 9.175 1.00 54.53 C ATOM 429 O ARG A 27 10.692 -0.508 9.555 1.00 21.21 O ATOM 430 CB ARG A 27 10.094 2.555 8.731 1.00 31.13 C ATOM 431 CG ARG A 27 11.286 2.572 9.724 1.00 54.11 C ATOM 432 CD ARG A 27 11.959 3.956 9.812 1.00 71.44 C ATOM 433 NE ARG A 27 12.465 4.377 8.494 1.00 21.03 N ATOM 434 CZ ARG A 27 13.547 3.854 7.878 1.00 55.44 C ATOM 435 NH1 ARG A 27 14.281 2.897 8.450 1.00 12.22 N ATOM 436 NH2 ARG A 27 13.868 4.269 6.663 1.00 21.44 N ATOM 0 H ARG A 27 8.086 2.238 7.345 1.00 44.42 H new ATOM 0 HA ARG A 27 10.543 0.858 7.431 1.00 40.42 H new ATOM 0 HB2 ARG A 27 10.311 3.255 7.924 1.00 31.13 H new ATOM 0 HB3 ARG A 27 9.211 2.930 9.249 1.00 31.13 H new ATOM 0 HG2 ARG A 27 10.935 2.278 10.713 1.00 54.11 H new ATOM 0 HG3 ARG A 27 12.024 1.832 9.414 1.00 54.11 H new ATOM 0 HD2 ARG A 27 11.244 4.690 10.183 1.00 71.44 H new ATOM 0 HD3 ARG A 27 12.780 3.921 10.528 1.00 71.44 H new ATOM 0 HE ARG A 27 11.960 5.120 8.010 1.00 21.03 H new ATOM 0 HH11 ARG A 27 14.029 2.544 9.373 1.00 12.22 H new ATOM 0 HH12 ARG A 27 15.094 2.518 7.964 1.00 12.22 H new ATOM 0 HH21 ARG A 27 13.300 4.978 6.200 1.00 21.44 H new ATOM 0 HH22 ARG A 27 14.684 3.880 6.190 1.00 21.44 H new ATOM 450 N ALA A 28 8.432 -0.256 9.624 1.00 34.01 N ATOM 451 CA ALA A 28 8.192 -1.332 10.613 1.00 11.44 C ATOM 452 C ALA A 28 8.627 -2.719 10.062 1.00 62.34 C ATOM 453 O ALA A 28 9.003 -3.613 10.828 1.00 63.11 O ATOM 454 CB ALA A 28 6.713 -1.345 11.008 1.00 43.02 C ATOM 0 H ALA A 28 7.582 0.217 9.317 1.00 34.01 H new ATOM 0 HA ALA A 28 8.798 -1.131 11.496 1.00 11.44 H new ATOM 0 HB1 ALA A 28 6.538 -2.137 11.736 1.00 43.02 H new ATOM 0 HB2 ALA A 28 6.445 -0.384 11.446 1.00 43.02 H new ATOM 0 HB3 ALA A 28 6.102 -1.523 10.123 1.00 43.02 H new ATOM 460 N TYR A 29 8.550 -2.869 8.726 1.00 41.40 N ATOM 461 CA TYR A 29 9.023 -4.057 7.981 1.00 54.54 C ATOM 462 C TYR A 29 9.800 -3.605 6.711 1.00 14.20 C ATOM 463 O TYR A 29 10.383 -2.511 6.702 1.00 70.30 O ATOM 464 CB TYR A 29 7.811 -5.014 7.672 1.00 44.52 C ATOM 465 CG TYR A 29 6.448 -4.317 7.495 1.00 62.12 C ATOM 466 CD1 TYR A 29 6.107 -3.682 6.305 1.00 42.31 C ATOM 467 CD2 TYR A 29 5.509 -4.284 8.539 1.00 44.11 C ATOM 468 CE1 TYR A 29 4.886 -3.044 6.156 1.00 71.12 C ATOM 469 CE2 TYR A 29 4.286 -3.649 8.388 1.00 41.23 C ATOM 470 CZ TYR A 29 3.981 -3.030 7.196 1.00 43.11 C ATOM 471 OH TYR A 29 2.772 -2.376 7.045 1.00 72.10 O ATOM 0 H TYR A 29 8.149 -2.154 8.119 1.00 41.40 H new ATOM 0 HA TYR A 29 9.723 -4.634 8.585 1.00 54.54 H new ATOM 0 HB2 TYR A 29 8.034 -5.574 6.764 1.00 44.52 H new ATOM 0 HB3 TYR A 29 7.727 -5.739 8.481 1.00 44.52 H new ATOM 0 HD1 TYR A 29 6.807 -3.686 5.482 1.00 42.31 H new ATOM 0 HD2 TYR A 29 5.744 -4.763 9.478 1.00 44.11 H new ATOM 0 HE1 TYR A 29 4.643 -2.557 5.223 1.00 71.12 H new ATOM 0 HE2 TYR A 29 3.576 -3.640 9.201 1.00 41.23 H new ATOM 0 HH TYR A 29 2.931 -1.463 6.725 1.00 72.10 H new ATOM 481 N GLU A 30 9.862 -4.474 5.675 1.00 13.30 N ATOM 482 CA GLU A 30 10.594 -4.210 4.409 1.00 33.41 C ATOM 483 C GLU A 30 10.061 -5.143 3.277 1.00 23.42 C ATOM 484 O GLU A 30 9.436 -6.161 3.594 1.00 2.43 O ATOM 485 CB GLU A 30 12.129 -4.344 4.679 1.00 51.20 C ATOM 486 CG GLU A 30 12.566 -5.598 5.454 1.00 74.24 C ATOM 487 CD GLU A 30 14.047 -5.534 5.864 1.00 44.14 C ATOM 488 OE1 GLU A 30 14.360 -4.865 6.877 1.00 61.34 O ATOM 489 OE2 GLU A 30 14.905 -6.129 5.173 1.00 63.42 O ATOM 0 H GLU A 30 9.403 -5.385 5.692 1.00 13.30 H new ATOM 0 HA GLU A 30 10.420 -3.194 4.056 1.00 33.41 H new ATOM 0 HB2 GLU A 30 12.649 -4.332 3.721 1.00 51.20 H new ATOM 0 HB3 GLU A 30 12.459 -3.465 5.232 1.00 51.20 H new ATOM 0 HG2 GLU A 30 11.947 -5.708 6.345 1.00 74.24 H new ATOM 0 HG3 GLU A 30 12.398 -6.482 4.838 1.00 74.24 H new ATOM 496 N PRO A 31 10.307 -4.832 1.942 1.00 1.13 N ATOM 497 CA PRO A 31 9.495 -5.387 0.801 1.00 3.14 C ATOM 498 C PRO A 31 9.623 -6.908 0.541 1.00 41.21 C ATOM 499 O PRO A 31 8.887 -7.445 -0.303 1.00 2.14 O ATOM 500 CB PRO A 31 10.004 -4.568 -0.417 1.00 20.14 C ATOM 501 CG PRO A 31 11.419 -4.232 -0.064 1.00 63.35 C ATOM 502 CD PRO A 31 11.397 -3.945 1.419 1.00 1.24 C ATOM 0 HA PRO A 31 8.431 -5.290 1.019 1.00 3.14 H new ATOM 0 HB2 PRO A 31 9.950 -5.148 -1.338 1.00 20.14 H new ATOM 0 HB3 PRO A 31 9.407 -3.669 -0.571 1.00 20.14 H new ATOM 0 HG2 PRO A 31 12.090 -5.059 -0.296 1.00 63.35 H new ATOM 0 HG3 PRO A 31 11.771 -3.368 -0.628 1.00 63.35 H new ATOM 0 HD2 PRO A 31 12.356 -4.174 1.884 1.00 1.24 H new ATOM 0 HD3 PRO A 31 11.188 -2.894 1.620 1.00 1.24 H new ATOM 510 N ASP A 32 10.518 -7.606 1.257 1.00 11.15 N ATOM 511 CA ASP A 32 10.719 -9.068 1.076 1.00 1.35 C ATOM 512 C ASP A 32 10.093 -9.878 2.224 1.00 35.33 C ATOM 513 O ASP A 32 9.412 -9.313 3.098 1.00 34.41 O ATOM 514 CB ASP A 32 12.226 -9.393 0.888 1.00 54.13 C ATOM 515 CG ASP A 32 12.780 -8.845 -0.435 1.00 14.43 C ATOM 516 OD1 ASP A 32 12.727 -9.564 -1.459 1.00 63.00 O ATOM 517 OD2 ASP A 32 13.237 -7.684 -0.467 1.00 31.00 O ATOM 0 H ASP A 32 11.118 -7.189 1.969 1.00 11.15 H new ATOM 0 HA ASP A 32 10.198 -9.369 0.167 1.00 1.35 H new ATOM 0 HB2 ASP A 32 12.792 -8.972 1.719 1.00 54.13 H new ATOM 0 HB3 ASP A 32 12.369 -10.473 0.920 1.00 54.13 H new ATOM 522 N SER A 33 10.283 -11.210 2.159 1.00 34.53 N ATOM 523 CA SER A 33 9.653 -12.189 3.067 1.00 44.40 C ATOM 524 C SER A 33 9.930 -11.900 4.572 1.00 23.34 C ATOM 525 O SER A 33 10.913 -12.394 5.139 1.00 42.41 O ATOM 526 CB SER A 33 10.144 -13.612 2.693 1.00 43.11 C ATOM 527 OG SER A 33 9.936 -13.886 1.309 1.00 41.32 O ATOM 0 H SER A 33 10.889 -11.644 1.462 1.00 34.53 H new ATOM 0 HA SER A 33 8.574 -12.108 2.938 1.00 44.40 H new ATOM 0 HB2 SER A 33 11.204 -13.707 2.929 1.00 43.11 H new ATOM 0 HB3 SER A 33 9.616 -14.351 3.295 1.00 43.11 H new ATOM 0 HG SER A 33 10.257 -14.789 1.102 1.00 41.32 H new ATOM 533 N VAL A 34 9.072 -11.059 5.189 1.00 62.34 N ATOM 534 CA VAL A 34 9.071 -10.817 6.652 1.00 55.33 C ATOM 535 C VAL A 34 8.374 -11.998 7.347 1.00 30.32 C ATOM 536 O VAL A 34 8.858 -12.527 8.351 1.00 23.05 O ATOM 537 CB VAL A 34 8.340 -9.471 7.032 1.00 5.35 C ATOM 538 CG1 VAL A 34 8.347 -9.219 8.565 1.00 15.03 C ATOM 539 CG2 VAL A 34 8.940 -8.270 6.268 1.00 30.21 C ATOM 0 H VAL A 34 8.360 -10.528 4.689 1.00 62.34 H new ATOM 0 HA VAL A 34 10.105 -10.728 6.984 1.00 55.33 H new ATOM 0 HB VAL A 34 7.299 -9.577 6.726 1.00 5.35 H new ATOM 0 HG11 VAL A 34 7.834 -8.282 8.782 1.00 15.03 H new ATOM 0 HG12 VAL A 34 7.836 -10.038 9.071 1.00 15.03 H new ATOM 0 HG13 VAL A 34 9.376 -9.159 8.919 1.00 15.03 H new ATOM 0 HG21 VAL A 34 8.414 -7.358 6.552 1.00 30.21 H new ATOM 0 HG22 VAL A 34 9.997 -8.172 6.516 1.00 30.21 H new ATOM 0 HG23 VAL A 34 8.833 -8.431 5.195 1.00 30.21 H new ATOM 549 N LEU A 35 7.222 -12.398 6.770 1.00 11.02 N ATOM 550 CA LEU A 35 6.431 -13.556 7.217 1.00 62.15 C ATOM 551 C LEU A 35 6.560 -14.686 6.171 1.00 5.43 C ATOM 552 O LEU A 35 6.859 -14.402 4.998 1.00 75.24 O ATOM 553 CB LEU A 35 4.918 -13.191 7.394 1.00 23.04 C ATOM 554 CG LEU A 35 4.576 -11.936 8.273 1.00 60.33 C ATOM 555 CD1 LEU A 35 4.726 -10.617 7.475 1.00 74.41 C ATOM 556 CD2 LEU A 35 3.169 -12.063 8.906 1.00 0.32 C ATOM 0 H LEU A 35 6.812 -11.917 5.969 1.00 11.02 H new ATOM 0 HA LEU A 35 6.816 -13.878 8.185 1.00 62.15 H new ATOM 0 HB2 LEU A 35 4.491 -13.035 6.403 1.00 23.04 H new ATOM 0 HB3 LEU A 35 4.412 -14.054 7.827 1.00 23.04 H new ATOM 0 HG LEU A 35 5.301 -11.900 9.086 1.00 60.33 H new ATOM 0 HD11 LEU A 35 4.480 -9.772 8.119 1.00 74.41 H new ATOM 0 HD12 LEU A 35 5.753 -10.519 7.124 1.00 74.41 H new ATOM 0 HD13 LEU A 35 4.050 -10.630 6.620 1.00 74.41 H new ATOM 0 HD21 LEU A 35 2.960 -11.179 9.509 1.00 0.32 H new ATOM 0 HD22 LEU A 35 2.422 -12.149 8.117 1.00 0.32 H new ATOM 0 HD23 LEU A 35 3.133 -12.950 9.538 1.00 0.32 H new ATOM 568 N PRO A 36 6.322 -15.982 6.562 1.00 10.52 N ATOM 569 CA PRO A 36 6.242 -17.100 5.603 1.00 5.32 C ATOM 570 C PRO A 36 4.834 -17.168 4.958 1.00 72.41 C ATOM 571 O PRO A 36 4.037 -18.077 5.228 1.00 24.14 O ATOM 572 CB PRO A 36 6.573 -18.330 6.487 1.00 55.41 C ATOM 573 CG PRO A 36 6.071 -17.977 7.860 1.00 14.41 C ATOM 574 CD PRO A 36 6.118 -16.456 7.964 1.00 63.03 C ATOM 0 HA PRO A 36 6.919 -17.016 4.753 1.00 5.32 H new ATOM 0 HB2 PRO A 36 6.086 -19.229 6.109 1.00 55.41 H new ATOM 0 HB3 PRO A 36 7.645 -18.529 6.499 1.00 55.41 H new ATOM 0 HG2 PRO A 36 5.055 -18.344 8.007 1.00 14.41 H new ATOM 0 HG3 PRO A 36 6.691 -18.437 8.629 1.00 14.41 H new ATOM 0 HD2 PRO A 36 5.194 -16.060 8.385 1.00 63.03 H new ATOM 0 HD3 PRO A 36 6.930 -16.129 8.614 1.00 63.03 H new ATOM 582 N LEU A 37 4.542 -16.158 4.116 1.00 72.43 N ATOM 583 CA LEU A 37 3.263 -16.026 3.392 1.00 23.20 C ATOM 584 C LEU A 37 3.187 -17.041 2.232 1.00 75.32 C ATOM 585 O LEU A 37 4.149 -17.782 1.975 1.00 14.35 O ATOM 586 CB LEU A 37 3.126 -14.568 2.859 1.00 15.14 C ATOM 587 CG LEU A 37 3.042 -13.438 3.937 1.00 55.21 C ATOM 588 CD1 LEU A 37 3.188 -12.039 3.288 1.00 63.54 C ATOM 589 CD2 LEU A 37 1.738 -13.541 4.770 1.00 3.52 C ATOM 0 H LEU A 37 5.196 -15.401 3.917 1.00 72.43 H new ATOM 0 HA LEU A 37 2.439 -16.239 4.073 1.00 23.20 H new ATOM 0 HB2 LEU A 37 3.978 -14.360 2.211 1.00 15.14 H new ATOM 0 HB3 LEU A 37 2.232 -14.514 2.237 1.00 15.14 H new ATOM 0 HG LEU A 37 3.876 -13.575 4.625 1.00 55.21 H new ATOM 0 HD11 LEU A 37 3.126 -11.272 4.060 1.00 63.54 H new ATOM 0 HD12 LEU A 37 4.152 -11.970 2.785 1.00 63.54 H new ATOM 0 HD13 LEU A 37 2.389 -11.889 2.562 1.00 63.54 H new ATOM 0 HD21 LEU A 37 1.714 -12.740 5.509 1.00 3.52 H new ATOM 0 HD22 LEU A 37 0.876 -13.451 4.109 1.00 3.52 H new ATOM 0 HD23 LEU A 37 1.706 -14.505 5.278 1.00 3.52 H new ATOM 601 N ALA A 38 2.032 -17.083 1.550 1.00 64.13 N ATOM 602 CA ALA A 38 1.858 -17.914 0.351 1.00 31.01 C ATOM 603 C ALA A 38 2.795 -17.408 -0.765 1.00 70.42 C ATOM 604 O ALA A 38 2.673 -16.248 -1.194 1.00 60.12 O ATOM 605 CB ALA A 38 0.388 -17.911 -0.108 1.00 74.04 C ATOM 0 H ALA A 38 1.203 -16.549 1.810 1.00 64.13 H new ATOM 0 HA ALA A 38 2.121 -18.945 0.587 1.00 31.01 H new ATOM 0 HB1 ALA A 38 0.283 -18.533 -0.997 1.00 74.04 H new ATOM 0 HB2 ALA A 38 -0.243 -18.307 0.688 1.00 74.04 H new ATOM 0 HB3 ALA A 38 0.081 -16.891 -0.340 1.00 74.04 H new ATOM 611 N ASP A 39 3.744 -18.273 -1.190 1.00 51.55 N ATOM 612 CA ASP A 39 4.770 -17.929 -2.199 1.00 42.45 C ATOM 613 C ASP A 39 4.137 -17.535 -3.543 1.00 74.44 C ATOM 614 O ASP A 39 2.985 -17.897 -3.837 1.00 1.31 O ATOM 615 CB ASP A 39 5.762 -19.103 -2.409 1.00 13.23 C ATOM 616 CG ASP A 39 6.645 -19.374 -1.182 1.00 73.42 C ATOM 617 OD1 ASP A 39 7.534 -18.548 -0.892 1.00 12.41 O ATOM 618 OD2 ASP A 39 6.478 -20.416 -0.509 1.00 25.44 O ATOM 0 H ASP A 39 3.819 -19.229 -0.843 1.00 51.55 H new ATOM 0 HA ASP A 39 5.317 -17.068 -1.814 1.00 42.45 H new ATOM 0 HB2 ASP A 39 5.201 -20.006 -2.652 1.00 13.23 H new ATOM 0 HB3 ASP A 39 6.399 -18.884 -3.266 1.00 13.23 H new ATOM 623 N GLY A 40 4.912 -16.801 -4.350 1.00 0.54 N ATOM 624 CA GLY A 40 4.414 -16.245 -5.593 1.00 73.13 C ATOM 625 C GLY A 40 3.492 -15.068 -5.340 1.00 72.54 C ATOM 626 O GLY A 40 3.945 -13.927 -5.358 1.00 51.32 O ATOM 0 H GLY A 40 5.889 -16.583 -4.155 1.00 0.54 H new ATOM 0 HA2 GLY A 40 5.252 -15.926 -6.213 1.00 73.13 H new ATOM 0 HA3 GLY A 40 3.880 -17.015 -6.150 1.00 73.13 H new ATOM 630 N VAL A 41 2.210 -15.361 -5.031 1.00 14.32 N ATOM 631 CA VAL A 41 1.163 -14.336 -4.909 1.00 42.53 C ATOM 632 C VAL A 41 1.458 -13.301 -3.796 1.00 14.35 C ATOM 633 O VAL A 41 1.716 -12.140 -4.104 1.00 52.25 O ATOM 634 CB VAL A 41 -0.274 -14.977 -4.720 1.00 73.32 C ATOM 635 CG1 VAL A 41 -0.799 -15.561 -6.046 1.00 42.41 C ATOM 636 CG2 VAL A 41 -0.305 -16.055 -3.607 1.00 34.14 C ATOM 0 H VAL A 41 1.878 -16.310 -4.861 1.00 14.32 H new ATOM 0 HA VAL A 41 1.168 -13.794 -5.855 1.00 42.53 H new ATOM 0 HB VAL A 41 -0.933 -14.168 -4.404 1.00 73.32 H new ATOM 0 HG11 VAL A 41 -1.786 -15.994 -5.887 1.00 42.41 H new ATOM 0 HG12 VAL A 41 -0.866 -14.768 -6.791 1.00 42.41 H new ATOM 0 HG13 VAL A 41 -0.116 -16.334 -6.399 1.00 42.41 H new ATOM 0 HG21 VAL A 41 -1.313 -16.460 -3.521 1.00 34.14 H new ATOM 0 HG22 VAL A 41 0.388 -16.858 -3.858 1.00 34.14 H new ATOM 0 HG23 VAL A 41 -0.012 -15.606 -2.658 1.00 34.14 H new ATOM 646 N LEU A 42 1.507 -13.726 -2.523 1.00 65.00 N ATOM 647 CA LEU A 42 1.531 -12.778 -1.382 1.00 33.11 C ATOM 648 C LEU A 42 2.922 -12.174 -1.180 1.00 41.22 C ATOM 649 O LEU A 42 3.052 -11.120 -0.555 1.00 72.12 O ATOM 650 CB LEU A 42 1.050 -13.455 -0.088 1.00 15.24 C ATOM 651 CG LEU A 42 -0.346 -14.145 -0.137 1.00 64.15 C ATOM 652 CD1 LEU A 42 -0.766 -14.562 1.272 1.00 24.14 C ATOM 653 CD2 LEU A 42 -1.425 -13.267 -0.809 1.00 64.01 C ATOM 0 H LEU A 42 1.531 -14.709 -2.253 1.00 65.00 H new ATOM 0 HA LEU A 42 0.844 -11.967 -1.624 1.00 33.11 H new ATOM 0 HB2 LEU A 42 1.789 -14.202 0.200 1.00 15.24 H new ATOM 0 HB3 LEU A 42 1.031 -12.704 0.702 1.00 15.24 H new ATOM 0 HG LEU A 42 -0.253 -15.034 -0.761 1.00 64.15 H new ATOM 0 HD11 LEU A 42 -1.743 -15.044 1.233 1.00 24.14 H new ATOM 0 HD12 LEU A 42 -0.033 -15.259 1.679 1.00 24.14 H new ATOM 0 HD13 LEU A 42 -0.822 -13.681 1.911 1.00 24.14 H new ATOM 0 HD21 LEU A 42 -2.376 -13.800 -0.814 1.00 64.01 H new ATOM 0 HD22 LEU A 42 -1.534 -12.335 -0.254 1.00 64.01 H new ATOM 0 HD23 LEU A 42 -1.127 -13.046 -1.834 1.00 64.01 H new ATOM 665 N SER A 43 3.948 -12.873 -1.679 1.00 40.10 N ATOM 666 CA SER A 43 5.333 -12.376 -1.684 1.00 62.34 C ATOM 667 C SER A 43 5.445 -11.175 -2.650 1.00 72.02 C ATOM 668 O SER A 43 5.977 -10.108 -2.290 1.00 20.30 O ATOM 669 CB SER A 43 6.300 -13.512 -2.099 1.00 4.31 C ATOM 670 OG SER A 43 7.660 -13.128 -1.945 1.00 73.22 O ATOM 0 H SER A 43 3.844 -13.800 -2.091 1.00 40.10 H new ATOM 0 HA SER A 43 5.608 -12.045 -0.683 1.00 62.34 H new ATOM 0 HB2 SER A 43 6.101 -14.398 -1.495 1.00 4.31 H new ATOM 0 HB3 SER A 43 6.115 -13.786 -3.138 1.00 4.31 H new ATOM 0 HG SER A 43 8.242 -13.869 -2.214 1.00 73.22 H new ATOM 676 N PHE A 44 4.889 -11.366 -3.872 1.00 43.40 N ATOM 677 CA PHE A 44 4.816 -10.325 -4.917 1.00 52.24 C ATOM 678 C PHE A 44 3.938 -9.153 -4.444 1.00 75.32 C ATOM 679 O PHE A 44 4.263 -8.006 -4.717 1.00 32.32 O ATOM 680 CB PHE A 44 4.318 -10.945 -6.284 1.00 3.23 C ATOM 681 CG PHE A 44 3.143 -10.251 -7.008 1.00 43.55 C ATOM 682 CD1 PHE A 44 3.337 -9.112 -7.798 1.00 35.11 C ATOM 683 CD2 PHE A 44 1.838 -10.760 -6.912 1.00 50.44 C ATOM 684 CE1 PHE A 44 2.272 -8.508 -8.448 1.00 72.03 C ATOM 685 CE2 PHE A 44 0.778 -10.150 -7.562 1.00 33.30 C ATOM 686 CZ PHE A 44 0.997 -9.028 -8.333 1.00 75.34 C ATOM 0 H PHE A 44 4.477 -12.254 -4.158 1.00 43.40 H new ATOM 0 HA PHE A 44 5.814 -9.925 -5.097 1.00 52.24 H new ATOM 0 HB2 PHE A 44 5.166 -10.968 -6.969 1.00 3.23 H new ATOM 0 HB3 PHE A 44 4.031 -11.980 -6.097 1.00 3.23 H new ATOM 0 HD1 PHE A 44 4.329 -8.698 -7.902 1.00 35.11 H new ATOM 0 HD2 PHE A 44 1.657 -11.645 -6.320 1.00 50.44 H new ATOM 0 HE1 PHE A 44 2.440 -7.626 -9.048 1.00 72.03 H new ATOM 0 HE2 PHE A 44 -0.219 -10.553 -7.465 1.00 33.30 H new ATOM 0 HZ PHE A 44 0.173 -8.556 -8.847 1.00 75.34 H new ATOM 696 N ILE A 45 2.841 -9.459 -3.728 1.00 12.41 N ATOM 697 CA ILE A 45 1.929 -8.431 -3.181 1.00 33.01 C ATOM 698 C ILE A 45 2.629 -7.595 -2.090 1.00 34.51 C ATOM 699 O ILE A 45 2.538 -6.379 -2.118 1.00 70.32 O ATOM 700 CB ILE A 45 0.615 -9.067 -2.599 1.00 70.23 C ATOM 701 CG1 ILE A 45 -0.218 -9.749 -3.724 1.00 34.24 C ATOM 702 CG2 ILE A 45 -0.232 -8.011 -1.864 1.00 42.42 C ATOM 703 CD1 ILE A 45 -1.437 -10.512 -3.237 1.00 71.42 C ATOM 0 H ILE A 45 2.561 -10.416 -3.512 1.00 12.41 H new ATOM 0 HA ILE A 45 1.655 -7.778 -4.010 1.00 33.01 H new ATOM 0 HB ILE A 45 0.906 -9.831 -1.878 1.00 70.23 H new ATOM 0 HG12 ILE A 45 -0.543 -8.985 -4.431 1.00 34.24 H new ATOM 0 HG13 ILE A 45 0.429 -10.435 -4.271 1.00 34.24 H new ATOM 0 HG21 ILE A 45 -1.135 -8.478 -1.471 1.00 42.42 H new ATOM 0 HG22 ILE A 45 0.346 -7.590 -1.041 1.00 42.42 H new ATOM 0 HG23 ILE A 45 -0.507 -7.217 -2.559 1.00 42.42 H new ATOM 0 HD11 ILE A 45 -1.955 -10.953 -4.089 1.00 71.42 H new ATOM 0 HD12 ILE A 45 -1.123 -11.302 -2.555 1.00 71.42 H new ATOM 0 HD13 ILE A 45 -2.110 -9.830 -2.717 1.00 71.42 H new ATOM 715 N HIS A 46 3.329 -8.273 -1.151 1.00 24.23 N ATOM 716 CA HIS A 46 4.094 -7.613 -0.059 1.00 75.31 C ATOM 717 C HIS A 46 5.096 -6.624 -0.686 1.00 32.52 C ATOM 718 O HIS A 46 5.188 -5.445 -0.276 1.00 2.12 O ATOM 719 CB HIS A 46 4.833 -8.697 0.793 1.00 55.43 C ATOM 720 CG HIS A 46 5.563 -8.182 2.014 1.00 61.24 C ATOM 721 ND1 HIS A 46 5.333 -8.659 3.286 1.00 11.34 N ATOM 722 CD2 HIS A 46 6.534 -7.242 2.160 1.00 40.43 C ATOM 723 CE1 HIS A 46 6.118 -8.037 4.140 1.00 1.15 C ATOM 724 NE2 HIS A 46 6.847 -7.177 3.483 1.00 30.12 N ATOM 0 H HIS A 46 3.382 -9.291 -1.126 1.00 24.23 H new ATOM 0 HA HIS A 46 3.421 -7.065 0.601 1.00 75.31 H new ATOM 0 HB2 HIS A 46 4.104 -9.440 1.114 1.00 55.43 H new ATOM 0 HB3 HIS A 46 5.550 -9.210 0.152 1.00 55.43 H new ATOM 0 HD2 HIS A 46 6.977 -6.654 1.370 1.00 40.43 H new ATOM 0 HE1 HIS A 46 6.153 -8.209 5.206 1.00 1.15 H new ATOM 0 HE2 HIS A 46 7.542 -6.554 3.896 1.00 30.12 H new ATOM 733 N HIS A 47 5.806 -7.150 -1.712 1.00 44.23 N ATOM 734 CA HIS A 47 6.675 -6.378 -2.608 1.00 63.14 C ATOM 735 C HIS A 47 5.944 -5.115 -3.109 1.00 64.44 C ATOM 736 O HIS A 47 6.372 -4.020 -2.793 1.00 43.12 O ATOM 737 CB HIS A 47 7.131 -7.295 -3.778 1.00 54.05 C ATOM 738 CG HIS A 47 7.834 -6.630 -4.928 1.00 52.11 C ATOM 739 ND1 HIS A 47 7.242 -6.463 -6.164 1.00 31.14 N ATOM 740 CD2 HIS A 47 9.099 -6.159 -5.057 1.00 11.40 C ATOM 741 CE1 HIS A 47 8.111 -5.934 -6.996 1.00 1.15 C ATOM 742 NE2 HIS A 47 9.243 -5.739 -6.354 1.00 40.14 N ATOM 0 H HIS A 47 5.785 -8.144 -1.938 1.00 44.23 H new ATOM 0 HA HIS A 47 7.561 -6.037 -2.073 1.00 63.14 H new ATOM 0 HB2 HIS A 47 7.793 -8.059 -3.372 1.00 54.05 H new ATOM 0 HB3 HIS A 47 6.253 -7.809 -4.169 1.00 54.05 H new ATOM 0 HD1 HIS A 47 6.280 -6.711 -6.395 1.00 31.14 H new ATOM 0 HD2 HIS A 47 9.852 -6.122 -4.283 1.00 11.40 H new ATOM 0 HE1 HIS A 47 7.927 -5.699 -8.034 1.00 1.15 H new ATOM 751 N GLN A 48 4.784 -5.293 -3.785 1.00 52.31 N ATOM 752 CA GLN A 48 4.012 -4.176 -4.381 1.00 1.51 C ATOM 753 C GLN A 48 3.557 -3.151 -3.322 1.00 53.24 C ATOM 754 O GLN A 48 3.635 -1.965 -3.558 1.00 53.13 O ATOM 755 CB GLN A 48 2.754 -4.692 -5.133 1.00 70.11 C ATOM 756 CG GLN A 48 3.020 -5.693 -6.264 1.00 41.25 C ATOM 757 CD GLN A 48 3.907 -5.163 -7.387 1.00 62.25 C ATOM 758 OE1 GLN A 48 4.714 -5.900 -7.952 1.00 54.41 O ATOM 759 NE2 GLN A 48 3.707 -3.914 -7.768 1.00 30.31 N ATOM 0 H GLN A 48 4.359 -6.209 -3.932 1.00 52.31 H new ATOM 0 HA GLN A 48 4.689 -3.688 -5.082 1.00 1.51 H new ATOM 0 HB2 GLN A 48 2.086 -5.159 -4.409 1.00 70.11 H new ATOM 0 HB3 GLN A 48 2.224 -3.835 -5.548 1.00 70.11 H new ATOM 0 HG2 GLN A 48 3.485 -6.583 -5.841 1.00 41.25 H new ATOM 0 HG3 GLN A 48 2.065 -6.003 -6.689 1.00 41.25 H new ATOM 0 HE21 GLN A 48 3.029 -3.333 -7.275 1.00 30.31 H new ATOM 0 HE22 GLN A 48 4.230 -3.531 -8.555 1.00 30.31 H new ATOM 768 N ILE A 49 3.102 -3.632 -2.155 1.00 31.23 N ATOM 769 CA ILE A 49 2.503 -2.781 -1.107 1.00 12.11 C ATOM 770 C ILE A 49 3.566 -1.825 -0.532 1.00 53.12 C ATOM 771 O ILE A 49 3.397 -0.597 -0.569 1.00 31.42 O ATOM 772 CB ILE A 49 1.857 -3.659 0.043 1.00 10.12 C ATOM 773 CG1 ILE A 49 0.613 -4.451 -0.481 1.00 34.02 C ATOM 774 CG2 ILE A 49 1.476 -2.815 1.277 1.00 40.41 C ATOM 775 CD1 ILE A 49 -0.090 -5.324 0.563 1.00 71.23 C ATOM 0 H ILE A 49 3.137 -4.621 -1.908 1.00 31.23 H new ATOM 0 HA ILE A 49 1.706 -2.190 -1.558 1.00 12.11 H new ATOM 0 HB ILE A 49 2.618 -4.373 0.356 1.00 10.12 H new ATOM 0 HG12 ILE A 49 -0.109 -3.739 -0.882 1.00 34.02 H new ATOM 0 HG13 ILE A 49 0.928 -5.086 -1.309 1.00 34.02 H new ATOM 0 HG21 ILE A 49 1.037 -3.460 2.038 1.00 40.41 H new ATOM 0 HG22 ILE A 49 2.368 -2.335 1.679 1.00 40.41 H new ATOM 0 HG23 ILE A 49 0.753 -2.053 0.987 1.00 40.41 H new ATOM 0 HD11 ILE A 49 -0.938 -5.831 0.102 1.00 71.23 H new ATOM 0 HD12 ILE A 49 0.610 -6.065 0.948 1.00 71.23 H new ATOM 0 HD13 ILE A 49 -0.443 -4.698 1.382 1.00 71.23 H new ATOM 787 N ILE A 50 4.690 -2.402 -0.066 1.00 50.14 N ATOM 788 CA ILE A 50 5.770 -1.621 0.567 1.00 10.11 C ATOM 789 C ILE A 50 6.487 -0.736 -0.490 1.00 44.41 C ATOM 790 O ILE A 50 6.746 0.451 -0.249 1.00 62.01 O ATOM 791 CB ILE A 50 6.783 -2.574 1.338 1.00 72.54 C ATOM 792 CG1 ILE A 50 6.177 -3.109 2.688 1.00 40.42 C ATOM 793 CG2 ILE A 50 8.145 -1.883 1.605 1.00 23.52 C ATOM 794 CD1 ILE A 50 4.923 -3.970 2.577 1.00 51.53 C ATOM 0 H ILE A 50 4.874 -3.404 -0.116 1.00 50.14 H new ATOM 0 HA ILE A 50 5.333 -0.955 1.311 1.00 10.11 H new ATOM 0 HB ILE A 50 6.956 -3.425 0.680 1.00 72.54 H new ATOM 0 HG12 ILE A 50 6.945 -3.689 3.200 1.00 40.42 H new ATOM 0 HG13 ILE A 50 5.948 -2.253 3.322 1.00 40.42 H new ATOM 0 HG21 ILE A 50 8.805 -2.571 2.133 1.00 23.52 H new ATOM 0 HG22 ILE A 50 8.601 -1.599 0.657 1.00 23.52 H new ATOM 0 HG23 ILE A 50 7.988 -0.992 2.213 1.00 23.52 H new ATOM 0 HD11 ILE A 50 4.603 -4.277 3.573 1.00 51.53 H new ATOM 0 HD12 ILE A 50 4.128 -3.396 2.101 1.00 51.53 H new ATOM 0 HD13 ILE A 50 5.141 -4.854 1.978 1.00 51.53 H new ATOM 806 N GLU A 51 6.742 -1.324 -1.672 1.00 31.13 N ATOM 807 CA GLU A 51 7.446 -0.656 -2.785 1.00 62.32 C ATOM 808 C GLU A 51 6.639 0.530 -3.335 1.00 44.25 C ATOM 809 O GLU A 51 7.211 1.575 -3.597 1.00 14.25 O ATOM 810 CB GLU A 51 7.731 -1.682 -3.907 1.00 14.45 C ATOM 811 CG GLU A 51 8.416 -1.157 -5.175 1.00 34.35 C ATOM 812 CD GLU A 51 8.708 -2.282 -6.181 1.00 32.42 C ATOM 813 OE1 GLU A 51 9.801 -2.891 -6.106 1.00 20.42 O ATOM 814 OE2 GLU A 51 7.845 -2.569 -7.043 1.00 60.41 O ATOM 0 H GLU A 51 6.464 -2.282 -1.885 1.00 31.13 H new ATOM 0 HA GLU A 51 8.388 -0.260 -2.405 1.00 62.32 H new ATOM 0 HB2 GLU A 51 8.352 -2.475 -3.491 1.00 14.45 H new ATOM 0 HB3 GLU A 51 6.784 -2.138 -4.198 1.00 14.45 H new ATOM 0 HG2 GLU A 51 7.781 -0.406 -5.645 1.00 34.35 H new ATOM 0 HG3 GLU A 51 9.349 -0.662 -4.904 1.00 34.35 H new ATOM 821 N LEU A 52 5.314 0.347 -3.483 1.00 34.45 N ATOM 822 CA LEU A 52 4.413 1.383 -4.047 1.00 5.50 C ATOM 823 C LEU A 52 4.031 2.425 -3.007 1.00 65.50 C ATOM 824 O LEU A 52 3.677 3.545 -3.375 1.00 62.02 O ATOM 825 CB LEU A 52 3.144 0.765 -4.692 1.00 13.40 C ATOM 826 CG LEU A 52 3.357 0.115 -6.091 1.00 13.33 C ATOM 827 CD1 LEU A 52 2.114 -0.690 -6.522 1.00 65.34 C ATOM 828 CD2 LEU A 52 3.731 1.193 -7.129 1.00 35.00 C ATOM 0 H LEU A 52 4.836 -0.514 -3.219 1.00 34.45 H new ATOM 0 HA LEU A 52 4.975 1.883 -4.836 1.00 5.50 H new ATOM 0 HB2 LEU A 52 2.744 0.009 -4.016 1.00 13.40 H new ATOM 0 HB3 LEU A 52 2.387 1.544 -4.783 1.00 13.40 H new ATOM 0 HG LEU A 52 4.187 -0.589 -6.027 1.00 13.33 H new ATOM 0 HD11 LEU A 52 2.289 -1.133 -7.502 1.00 65.34 H new ATOM 0 HD12 LEU A 52 1.922 -1.480 -5.796 1.00 65.34 H new ATOM 0 HD13 LEU A 52 1.251 -0.027 -6.573 1.00 65.34 H new ATOM 0 HD21 LEU A 52 3.877 0.725 -8.103 1.00 35.00 H new ATOM 0 HD22 LEU A 52 2.928 1.928 -7.196 1.00 35.00 H new ATOM 0 HD23 LEU A 52 4.652 1.689 -6.823 1.00 35.00 H new ATOM 840 N ALA A 53 4.080 2.051 -1.716 1.00 52.14 N ATOM 841 CA ALA A 53 4.046 3.034 -0.629 1.00 42.41 C ATOM 842 C ALA A 53 5.238 3.990 -0.817 1.00 42.42 C ATOM 843 O ALA A 53 5.063 5.197 -0.996 1.00 64.43 O ATOM 844 CB ALA A 53 4.091 2.341 0.747 1.00 44.45 C ATOM 0 H ALA A 53 4.143 1.081 -1.406 1.00 52.14 H new ATOM 0 HA ALA A 53 3.113 3.597 -0.662 1.00 42.41 H new ATOM 0 HB1 ALA A 53 4.065 3.094 1.535 1.00 44.45 H new ATOM 0 HB2 ALA A 53 3.231 1.679 0.849 1.00 44.45 H new ATOM 0 HB3 ALA A 53 5.009 1.760 0.832 1.00 44.45 H new ATOM 850 N ARG A 54 6.444 3.398 -0.875 1.00 51.02 N ATOM 851 CA ARG A 54 7.701 4.144 -1.066 1.00 12.33 C ATOM 852 C ARG A 54 7.776 4.867 -2.435 1.00 5.31 C ATOM 853 O ARG A 54 8.382 5.930 -2.532 1.00 72.33 O ATOM 854 CB ARG A 54 8.917 3.196 -0.893 1.00 53.41 C ATOM 855 CG ARG A 54 9.304 2.880 0.587 1.00 53.00 C ATOM 856 CD ARG A 54 10.789 3.173 0.893 1.00 53.34 C ATOM 857 NE ARG A 54 11.116 4.620 0.800 1.00 13.04 N ATOM 858 CZ ARG A 54 11.660 5.245 -0.270 1.00 72.02 C ATOM 859 NH1 ARG A 54 11.949 4.575 -1.382 1.00 4.23 N ATOM 860 NH2 ARG A 54 11.904 6.548 -0.219 1.00 22.43 N ATOM 0 H ARG A 54 6.575 2.390 -0.791 1.00 51.02 H new ATOM 0 HA ARG A 54 7.726 4.920 -0.301 1.00 12.33 H new ATOM 0 HB2 ARG A 54 8.702 2.258 -1.405 1.00 53.41 H new ATOM 0 HB3 ARG A 54 9.779 3.641 -1.391 1.00 53.41 H new ATOM 0 HG2 ARG A 54 8.677 3.470 1.256 1.00 53.00 H new ATOM 0 HG3 ARG A 54 9.095 1.831 0.796 1.00 53.00 H new ATOM 0 HD2 ARG A 54 11.028 2.814 1.894 1.00 53.34 H new ATOM 0 HD3 ARG A 54 11.416 2.617 0.197 1.00 53.34 H new ATOM 0 HE ARG A 54 10.912 5.195 1.618 1.00 13.04 H new ATOM 0 HH11 ARG A 54 11.761 3.574 -1.438 1.00 4.23 H new ATOM 0 HH12 ARG A 54 12.359 5.062 -2.179 1.00 4.23 H new ATOM 0 HH21 ARG A 54 11.682 7.076 0.625 1.00 22.43 H new ATOM 0 HH22 ARG A 54 12.314 7.022 -1.024 1.00 22.43 H new ATOM 874 N ASP A 55 7.156 4.279 -3.471 1.00 3.24 N ATOM 875 CA ASP A 55 7.205 4.799 -4.857 1.00 31.42 C ATOM 876 C ASP A 55 6.311 6.043 -4.984 1.00 52.41 C ATOM 877 O ASP A 55 6.723 7.080 -5.544 1.00 43.23 O ATOM 878 CB ASP A 55 6.764 3.697 -5.862 1.00 51.42 C ATOM 879 CG ASP A 55 6.971 4.082 -7.337 1.00 71.50 C ATOM 880 OD1 ASP A 55 8.066 4.578 -7.677 1.00 63.13 O ATOM 881 OD2 ASP A 55 6.077 3.840 -8.173 1.00 11.22 O ATOM 0 H ASP A 55 6.604 3.427 -3.376 1.00 3.24 H new ATOM 0 HA ASP A 55 8.230 5.085 -5.093 1.00 31.42 H new ATOM 0 HB2 ASP A 55 7.321 2.784 -5.653 1.00 51.42 H new ATOM 0 HB3 ASP A 55 5.710 3.471 -5.700 1.00 51.42 H new ATOM 886 N CYS A 56 5.094 5.923 -4.410 1.00 30.22 N ATOM 887 CA CYS A 56 4.155 7.040 -4.260 1.00 41.24 C ATOM 888 C CYS A 56 4.815 8.166 -3.459 1.00 33.50 C ATOM 889 O CYS A 56 4.740 9.328 -3.848 1.00 11.15 O ATOM 890 CB CYS A 56 2.856 6.575 -3.563 1.00 24.20 C ATOM 891 SG CYS A 56 1.619 7.870 -3.319 1.00 24.23 S ATOM 0 H CYS A 56 4.740 5.042 -4.038 1.00 30.22 H new ATOM 0 HA CYS A 56 3.893 7.412 -5.251 1.00 41.24 H new ATOM 0 HB2 CYS A 56 2.411 5.774 -4.153 1.00 24.20 H new ATOM 0 HB3 CYS A 56 3.113 6.151 -2.592 1.00 24.20 H new ATOM 0 HG CYS A 56 0.575 7.367 -2.730 1.00 24.23 H new ATOM 897 N LEU A 57 5.522 7.777 -2.373 1.00 42.12 N ATOM 898 CA LEU A 57 6.209 8.726 -1.485 1.00 74.11 C ATOM 899 C LEU A 57 7.344 9.469 -2.215 1.00 63.24 C ATOM 900 O LEU A 57 7.517 10.675 -2.023 1.00 33.14 O ATOM 901 CB LEU A 57 6.781 8.011 -0.237 1.00 62.54 C ATOM 902 CG LEU A 57 7.322 8.966 0.867 1.00 23.22 C ATOM 903 CD1 LEU A 57 6.186 9.847 1.426 1.00 64.12 C ATOM 904 CD2 LEU A 57 8.065 8.190 1.977 1.00 74.45 C ATOM 0 H LEU A 57 5.628 6.802 -2.094 1.00 42.12 H new ATOM 0 HA LEU A 57 5.464 9.455 -1.168 1.00 74.11 H new ATOM 0 HB2 LEU A 57 6.002 7.383 0.195 1.00 62.54 H new ATOM 0 HB3 LEU A 57 7.587 7.348 -0.552 1.00 62.54 H new ATOM 0 HG LEU A 57 8.058 9.630 0.413 1.00 23.22 H new ATOM 0 HD11 LEU A 57 6.583 10.508 2.196 1.00 64.12 H new ATOM 0 HD12 LEU A 57 5.759 10.444 0.621 1.00 64.12 H new ATOM 0 HD13 LEU A 57 5.412 9.212 1.857 1.00 64.12 H new ATOM 0 HD21 LEU A 57 8.428 8.890 2.730 1.00 74.45 H new ATOM 0 HD22 LEU A 57 7.383 7.478 2.442 1.00 74.45 H new ATOM 0 HD23 LEU A 57 8.909 7.653 1.543 1.00 74.45 H new ATOM 916 N THR A 58 8.106 8.728 -3.043 1.00 71.33 N ATOM 917 CA THR A 58 9.203 9.285 -3.853 1.00 31.05 C ATOM 918 C THR A 58 8.652 10.377 -4.786 1.00 53.45 C ATOM 919 O THR A 58 9.023 11.547 -4.677 1.00 54.43 O ATOM 920 CB THR A 58 9.922 8.163 -4.687 1.00 65.41 C ATOM 921 OG1 THR A 58 10.481 7.178 -3.795 1.00 31.41 O ATOM 922 CG2 THR A 58 11.036 8.716 -5.597 1.00 11.31 C ATOM 0 H THR A 58 7.976 7.724 -3.168 1.00 71.33 H new ATOM 0 HA THR A 58 9.942 9.722 -3.181 1.00 31.05 H new ATOM 0 HB THR A 58 9.167 7.713 -5.332 1.00 65.41 H new ATOM 0 HG1 THR A 58 9.770 6.804 -3.234 1.00 31.41 H new ATOM 0 HG21 THR A 58 11.496 7.896 -6.148 1.00 11.31 H new ATOM 0 HG22 THR A 58 10.610 9.431 -6.300 1.00 11.31 H new ATOM 0 HG23 THR A 58 11.791 9.212 -4.987 1.00 11.31 H new ATOM 930 N LYS A 59 7.686 9.980 -5.623 1.00 45.21 N ATOM 931 CA LYS A 59 7.053 10.865 -6.618 1.00 11.32 C ATOM 932 C LYS A 59 6.235 12.003 -5.959 1.00 51.14 C ATOM 933 O LYS A 59 6.003 13.041 -6.578 1.00 23.13 O ATOM 934 CB LYS A 59 6.188 10.000 -7.571 1.00 42.10 C ATOM 935 CG LYS A 59 7.022 8.989 -8.401 1.00 42.43 C ATOM 936 CD LYS A 59 6.153 7.945 -9.137 1.00 33.42 C ATOM 937 CE LYS A 59 6.994 6.931 -9.924 1.00 55.45 C ATOM 938 NZ LYS A 59 6.172 5.787 -10.413 1.00 45.21 N ATOM 0 H LYS A 59 7.316 9.029 -5.632 1.00 45.21 H new ATOM 0 HA LYS A 59 7.831 11.366 -7.194 1.00 11.32 H new ATOM 0 HB2 LYS A 59 5.447 9.456 -6.986 1.00 42.10 H new ATOM 0 HB3 LYS A 59 5.641 10.654 -8.250 1.00 42.10 H new ATOM 0 HG2 LYS A 59 7.621 9.534 -9.131 1.00 42.43 H new ATOM 0 HG3 LYS A 59 7.718 8.472 -7.740 1.00 42.43 H new ATOM 0 HD2 LYS A 59 5.535 7.415 -8.412 1.00 33.42 H new ATOM 0 HD3 LYS A 59 5.475 8.457 -9.819 1.00 33.42 H new ATOM 0 HE2 LYS A 59 7.463 7.429 -10.772 1.00 55.45 H new ATOM 0 HE3 LYS A 59 7.797 6.556 -9.290 1.00 55.45 H new ATOM 0 HZ1 LYS A 59 6.745 4.919 -10.405 1.00 45.21 H new ATOM 0 HZ2 LYS A 59 5.347 5.662 -9.793 1.00 45.21 H new ATOM 0 HZ3 LYS A 59 5.850 5.980 -11.383 1.00 45.21 H new ATOM 952 N SER A 60 5.799 11.789 -4.708 1.00 65.21 N ATOM 953 CA SER A 60 5.145 12.835 -3.886 1.00 21.33 C ATOM 954 C SER A 60 6.149 13.951 -3.536 1.00 41.23 C ATOM 955 O SER A 60 5.848 15.143 -3.677 1.00 11.20 O ATOM 956 CB SER A 60 4.560 12.216 -2.593 1.00 44.11 C ATOM 957 OG SER A 60 3.921 13.184 -1.780 1.00 43.22 O ATOM 0 H SER A 60 5.887 10.891 -4.233 1.00 65.21 H new ATOM 0 HA SER A 60 4.330 13.270 -4.465 1.00 21.33 H new ATOM 0 HB2 SER A 60 3.846 11.436 -2.856 1.00 44.11 H new ATOM 0 HB3 SER A 60 5.359 11.738 -2.027 1.00 44.11 H new ATOM 0 HG SER A 60 3.565 12.752 -0.976 1.00 43.22 H new ATOM 963 N ARG A 61 7.363 13.527 -3.128 1.00 31.53 N ATOM 964 CA ARG A 61 8.453 14.427 -2.690 1.00 21.01 C ATOM 965 C ARG A 61 9.227 15.019 -3.895 1.00 51.33 C ATOM 966 O ARG A 61 10.195 15.765 -3.711 1.00 23.35 O ATOM 967 CB ARG A 61 9.386 13.648 -1.714 1.00 71.30 C ATOM 968 CG ARG A 61 8.682 13.223 -0.396 1.00 65.32 C ATOM 969 CD ARG A 61 9.464 12.186 0.438 1.00 5.43 C ATOM 970 NE ARG A 61 10.750 12.699 0.952 1.00 64.44 N ATOM 971 CZ ARG A 61 11.254 12.442 2.179 1.00 61.10 C ATOM 972 NH1 ARG A 61 10.590 11.699 3.064 1.00 34.11 N ATOM 973 NH2 ARG A 61 12.431 12.942 2.517 1.00 1.34 N ATOM 0 H ARG A 61 7.618 12.540 -3.093 1.00 31.53 H new ATOM 0 HA ARG A 61 8.028 15.281 -2.163 1.00 21.01 H new ATOM 0 HB2 ARG A 61 9.765 12.759 -2.218 1.00 71.30 H new ATOM 0 HB3 ARG A 61 10.248 14.270 -1.473 1.00 71.30 H new ATOM 0 HG2 ARG A 61 8.514 14.110 0.214 1.00 65.32 H new ATOM 0 HG3 ARG A 61 7.702 12.812 -0.638 1.00 65.32 H new ATOM 0 HD2 ARG A 61 8.847 11.866 1.278 1.00 5.43 H new ATOM 0 HD3 ARG A 61 9.651 11.304 -0.175 1.00 5.43 H new ATOM 0 HE ARG A 61 11.301 13.294 0.333 1.00 64.44 H new ATOM 0 HH11 ARG A 61 9.679 11.309 2.821 1.00 34.11 H new ATOM 0 HH12 ARG A 61 10.993 11.520 3.984 1.00 34.11 H new ATOM 0 HH21 ARG A 61 12.951 13.517 1.853 1.00 1.34 H new ATOM 0 HH22 ARG A 61 12.819 12.753 3.441 1.00 1.34 H new ATOM 987 N ASP A 62 8.793 14.660 -5.123 1.00 42.25 N ATOM 988 CA ASP A 62 9.199 15.357 -6.369 1.00 23.41 C ATOM 989 C ASP A 62 8.166 16.446 -6.729 1.00 2.41 C ATOM 990 O ASP A 62 8.524 17.472 -7.320 1.00 41.22 O ATOM 991 CB ASP A 62 9.310 14.368 -7.574 1.00 41.23 C ATOM 992 CG ASP A 62 10.565 13.484 -7.559 1.00 12.13 C ATOM 993 OD1 ASP A 62 10.562 12.424 -6.906 1.00 4.52 O ATOM 994 OD2 ASP A 62 11.568 13.858 -8.203 1.00 1.45 O ATOM 0 H ASP A 62 8.153 13.882 -5.281 1.00 42.25 H new ATOM 0 HA ASP A 62 10.177 15.802 -6.184 1.00 23.41 H new ATOM 0 HB2 ASP A 62 8.429 13.726 -7.583 1.00 41.23 H new ATOM 0 HB3 ASP A 62 9.296 14.942 -8.501 1.00 41.23 H new ATOM 999 N GLY A 63 6.887 16.205 -6.358 1.00 31.12 N ATOM 1000 CA GLY A 63 5.749 16.970 -6.896 1.00 14.21 C ATOM 1001 C GLY A 63 5.338 16.440 -8.270 1.00 41.23 C ATOM 1002 O GLY A 63 4.758 17.164 -9.088 1.00 35.25 O ATOM 0 H GLY A 63 6.622 15.484 -5.687 1.00 31.12 H new ATOM 0 HA2 GLY A 63 4.905 16.906 -6.209 1.00 14.21 H new ATOM 0 HA3 GLY A 63 6.018 18.024 -6.973 1.00 14.21 H new ATOM 1006 N LEU A 64 5.660 15.159 -8.495 1.00 65.23 N ATOM 1007 CA LEU A 64 5.449 14.448 -9.767 1.00 42.51 C ATOM 1008 C LEU A 64 4.043 13.821 -9.807 1.00 73.01 C ATOM 1009 O LEU A 64 3.479 13.645 -10.896 1.00 74.14 O ATOM 1010 CB LEU A 64 6.581 13.383 -9.920 1.00 22.22 C ATOM 1011 CG LEU A 64 6.725 12.616 -11.294 1.00 61.33 C ATOM 1012 CD1 LEU A 64 8.191 12.175 -11.513 1.00 2.44 C ATOM 1013 CD2 LEU A 64 5.777 11.387 -11.400 1.00 14.34 C ATOM 0 H LEU A 64 6.086 14.571 -7.779 1.00 65.23 H new ATOM 0 HA LEU A 64 5.500 15.138 -10.609 1.00 42.51 H new ATOM 0 HB2 LEU A 64 7.530 13.879 -9.718 1.00 22.22 H new ATOM 0 HB3 LEU A 64 6.439 12.636 -9.139 1.00 22.22 H new ATOM 0 HG LEU A 64 6.431 13.316 -12.077 1.00 61.33 H new ATOM 0 HD11 LEU A 64 8.274 11.648 -12.463 1.00 2.44 H new ATOM 0 HD12 LEU A 64 8.837 13.053 -11.527 1.00 2.44 H new ATOM 0 HD13 LEU A 64 8.497 11.513 -10.703 1.00 2.44 H new ATOM 0 HD21 LEU A 64 5.920 10.900 -12.364 1.00 14.34 H new ATOM 0 HD22 LEU A 64 6.004 10.682 -10.600 1.00 14.34 H new ATOM 0 HD23 LEU A 64 4.742 11.717 -11.310 1.00 14.34 H new ATOM 1025 N ILE A 65 3.491 13.470 -8.615 1.00 64.01 N ATOM 1026 CA ILE A 65 2.131 12.907 -8.494 1.00 73.52 C ATOM 1027 C ILE A 65 1.083 13.882 -9.058 1.00 52.22 C ATOM 1028 O ILE A 65 1.031 15.052 -8.666 1.00 4.12 O ATOM 1029 CB ILE A 65 1.758 12.529 -7.001 1.00 14.42 C ATOM 1030 CG1 ILE A 65 2.565 11.280 -6.535 1.00 1.34 C ATOM 1031 CG2 ILE A 65 0.227 12.301 -6.810 1.00 23.43 C ATOM 1032 CD1 ILE A 65 2.185 10.755 -5.159 1.00 4.44 C ATOM 0 H ILE A 65 3.975 13.570 -7.723 1.00 64.01 H new ATOM 0 HA ILE A 65 2.126 11.987 -9.079 1.00 73.52 H new ATOM 0 HB ILE A 65 2.032 13.379 -6.377 1.00 14.42 H new ATOM 0 HG12 ILE A 65 2.426 10.482 -7.264 1.00 1.34 H new ATOM 0 HG13 ILE A 65 3.626 11.530 -6.533 1.00 1.34 H new ATOM 0 HG21 ILE A 65 0.024 12.045 -5.770 1.00 23.43 H new ATOM 0 HG22 ILE A 65 -0.312 13.212 -7.071 1.00 23.43 H new ATOM 0 HG23 ILE A 65 -0.103 11.487 -7.455 1.00 23.43 H new ATOM 0 HD11 ILE A 65 2.798 9.886 -4.919 1.00 4.44 H new ATOM 0 HD12 ILE A 65 2.351 11.533 -4.414 1.00 4.44 H new ATOM 0 HD13 ILE A 65 1.133 10.469 -5.156 1.00 4.44 H new ATOM 1044 N THR A 66 0.279 13.379 -9.999 1.00 64.15 N ATOM 1045 CA THR A 66 -0.879 14.095 -10.548 1.00 1.24 C ATOM 1046 C THR A 66 -2.156 13.231 -10.274 1.00 43.45 C ATOM 1047 O THR A 66 -2.058 12.208 -9.575 1.00 64.04 O ATOM 1048 CB THR A 66 -0.639 14.391 -12.078 1.00 63.42 C ATOM 1049 OG1 THR A 66 0.751 14.689 -12.307 1.00 21.22 O ATOM 1050 CG2 THR A 66 -1.466 15.586 -12.594 1.00 3.45 C ATOM 0 H THR A 66 0.414 12.454 -10.406 1.00 64.15 H new ATOM 0 HA THR A 66 -1.022 15.064 -10.069 1.00 1.24 H new ATOM 0 HB THR A 66 -0.951 13.496 -12.616 1.00 63.42 H new ATOM 0 HG1 THR A 66 0.894 14.870 -13.259 1.00 21.22 H new ATOM 0 HG21 THR A 66 -1.259 15.742 -13.653 1.00 3.45 H new ATOM 0 HG22 THR A 66 -2.528 15.379 -12.458 1.00 3.45 H new ATOM 0 HG23 THR A 66 -1.197 16.483 -12.036 1.00 3.45 H new ATOM 1058 N THR A 67 -3.319 13.627 -10.836 1.00 34.21 N ATOM 1059 CA THR A 67 -4.660 13.127 -10.450 1.00 62.14 C ATOM 1060 C THR A 67 -4.798 11.573 -10.413 1.00 4.20 C ATOM 1061 O THR A 67 -5.416 11.028 -9.488 1.00 65.31 O ATOM 1062 CB THR A 67 -5.728 13.719 -11.435 1.00 71.03 C ATOM 1063 OG1 THR A 67 -5.544 15.144 -11.575 1.00 74.24 O ATOM 1064 CG2 THR A 67 -7.176 13.444 -10.985 1.00 31.23 C ATOM 0 H THR A 67 -3.354 14.317 -11.586 1.00 34.21 H new ATOM 0 HA THR A 67 -4.821 13.460 -9.425 1.00 62.14 H new ATOM 0 HB THR A 67 -5.575 13.218 -12.391 1.00 71.03 H new ATOM 0 HG1 THR A 67 -6.215 15.501 -12.193 1.00 74.24 H new ATOM 0 HG21 THR A 67 -7.869 13.877 -11.706 1.00 31.23 H new ATOM 0 HG22 THR A 67 -7.340 12.368 -10.925 1.00 31.23 H new ATOM 0 HG23 THR A 67 -7.344 13.892 -10.005 1.00 31.23 H new ATOM 1072 N VAL A 68 -4.196 10.875 -11.400 1.00 51.14 N ATOM 1073 CA VAL A 68 -4.414 9.423 -11.617 1.00 34.15 C ATOM 1074 C VAL A 68 -3.856 8.540 -10.464 1.00 10.10 C ATOM 1075 O VAL A 68 -4.402 7.470 -10.174 1.00 24.13 O ATOM 1076 CB VAL A 68 -3.756 8.946 -12.973 1.00 2.22 C ATOM 1077 CG1 VAL A 68 -4.079 7.459 -13.275 1.00 13.03 C ATOM 1078 CG2 VAL A 68 -4.177 9.855 -14.149 1.00 34.55 C ATOM 0 H VAL A 68 -3.549 11.296 -12.066 1.00 51.14 H new ATOM 0 HA VAL A 68 -5.496 9.295 -11.652 1.00 34.15 H new ATOM 0 HB VAL A 68 -2.676 9.028 -12.855 1.00 2.22 H new ATOM 0 HG11 VAL A 68 -3.609 7.168 -14.215 1.00 13.03 H new ATOM 0 HG12 VAL A 68 -3.696 6.833 -12.469 1.00 13.03 H new ATOM 0 HG13 VAL A 68 -5.158 7.330 -13.354 1.00 13.03 H new ATOM 0 HG21 VAL A 68 -3.709 9.502 -15.068 1.00 34.55 H new ATOM 0 HG22 VAL A 68 -5.261 9.827 -14.260 1.00 34.55 H new ATOM 0 HG23 VAL A 68 -3.859 10.878 -13.950 1.00 34.55 H new ATOM 1088 N TYR A 69 -2.796 9.023 -9.790 1.00 4.33 N ATOM 1089 CA TYR A 69 -1.881 8.159 -9.023 1.00 75.12 C ATOM 1090 C TYR A 69 -2.570 7.406 -7.860 1.00 42.02 C ATOM 1091 O TYR A 69 -2.401 6.196 -7.733 1.00 52.43 O ATOM 1092 CB TYR A 69 -0.641 8.954 -8.507 1.00 30.21 C ATOM 1093 CG TYR A 69 0.610 8.078 -8.492 1.00 52.10 C ATOM 1094 CD1 TYR A 69 1.182 7.685 -9.698 1.00 72.30 C ATOM 1095 CD2 TYR A 69 1.212 7.632 -7.312 1.00 10.43 C ATOM 1096 CE1 TYR A 69 2.280 6.859 -9.740 1.00 72.01 C ATOM 1097 CE2 TYR A 69 2.324 6.805 -7.349 1.00 54.45 C ATOM 1098 CZ TYR A 69 2.863 6.431 -8.562 1.00 4.12 C ATOM 1099 OH TYR A 69 3.976 5.599 -8.600 1.00 23.11 O ATOM 0 H TYR A 69 -2.552 10.013 -9.762 1.00 4.33 H new ATOM 0 HA TYR A 69 -1.541 7.398 -9.725 1.00 75.12 H new ATOM 0 HB2 TYR A 69 -0.472 9.823 -9.143 1.00 30.21 H new ATOM 0 HB3 TYR A 69 -0.838 9.328 -7.502 1.00 30.21 H new ATOM 0 HD1 TYR A 69 0.753 8.038 -10.624 1.00 72.30 H new ATOM 0 HD2 TYR A 69 0.805 7.936 -6.359 1.00 10.43 H new ATOM 0 HE1 TYR A 69 2.686 6.545 -10.690 1.00 72.01 H new ATOM 0 HE2 TYR A 69 2.768 6.454 -6.429 1.00 54.45 H new ATOM 0 HH TYR A 69 4.262 5.393 -7.686 1.00 23.11 H new ATOM 1109 N PHE A 70 -3.357 8.118 -7.029 1.00 51.32 N ATOM 1110 CA PHE A 70 -4.039 7.485 -5.867 1.00 1.40 C ATOM 1111 C PHE A 70 -5.215 6.590 -6.308 1.00 55.34 C ATOM 1112 O PHE A 70 -5.579 5.649 -5.590 1.00 64.53 O ATOM 1113 CB PHE A 70 -4.481 8.540 -4.819 1.00 71.40 C ATOM 1114 CG PHE A 70 -3.298 9.255 -4.156 1.00 62.41 C ATOM 1115 CD1 PHE A 70 -2.548 8.617 -3.162 1.00 33.52 C ATOM 1116 CD2 PHE A 70 -2.915 10.544 -4.541 1.00 61.44 C ATOM 1117 CE1 PHE A 70 -1.466 9.247 -2.570 1.00 54.12 C ATOM 1118 CE2 PHE A 70 -1.827 11.171 -3.946 1.00 23.23 C ATOM 1119 CZ PHE A 70 -1.104 10.520 -2.963 1.00 33.34 C ATOM 0 H PHE A 70 -3.539 9.116 -7.132 1.00 51.32 H new ATOM 0 HA PHE A 70 -3.310 6.835 -5.383 1.00 1.40 H new ATOM 0 HB2 PHE A 70 -5.121 9.279 -5.302 1.00 71.40 H new ATOM 0 HB3 PHE A 70 -5.081 8.052 -4.051 1.00 71.40 H new ATOM 0 HD1 PHE A 70 -2.817 7.618 -2.852 1.00 33.52 H new ATOM 0 HD2 PHE A 70 -3.472 11.058 -5.310 1.00 61.44 H new ATOM 0 HE1 PHE A 70 -0.904 8.741 -1.799 1.00 54.12 H new ATOM 0 HE2 PHE A 70 -1.546 12.168 -4.252 1.00 23.23 H new ATOM 0 HZ PHE A 70 -0.257 11.007 -2.503 1.00 33.34 H new ATOM 1129 N TYR A 71 -5.792 6.868 -7.497 1.00 42.32 N ATOM 1130 CA TYR A 71 -6.769 5.958 -8.138 1.00 10.15 C ATOM 1131 C TYR A 71 -6.082 4.638 -8.509 1.00 44.40 C ATOM 1132 O TYR A 71 -6.652 3.562 -8.322 1.00 5.04 O ATOM 1133 CB TYR A 71 -7.377 6.568 -9.426 1.00 62.34 C ATOM 1134 CG TYR A 71 -8.152 7.872 -9.233 1.00 43.10 C ATOM 1135 CD1 TYR A 71 -9.136 7.990 -8.250 1.00 12.21 C ATOM 1136 CD2 TYR A 71 -7.920 8.974 -10.059 1.00 61.43 C ATOM 1137 CE1 TYR A 71 -9.869 9.154 -8.114 1.00 31.14 C ATOM 1138 CE2 TYR A 71 -8.645 10.138 -9.919 1.00 21.04 C ATOM 1139 CZ TYR A 71 -9.613 10.227 -8.943 1.00 25.54 C ATOM 1140 OH TYR A 71 -10.352 11.386 -8.816 1.00 4.30 O ATOM 0 H TYR A 71 -5.599 7.714 -8.033 1.00 42.32 H new ATOM 0 HA TYR A 71 -7.572 5.793 -7.419 1.00 10.15 H new ATOM 0 HB2 TYR A 71 -6.571 6.746 -10.138 1.00 62.34 H new ATOM 0 HB3 TYR A 71 -8.044 5.832 -9.876 1.00 62.34 H new ATOM 0 HD1 TYR A 71 -9.327 7.160 -7.586 1.00 12.21 H new ATOM 0 HD2 TYR A 71 -7.158 8.913 -10.822 1.00 61.43 H new ATOM 0 HE1 TYR A 71 -10.640 9.223 -7.361 1.00 31.14 H new ATOM 0 HE2 TYR A 71 -8.455 10.977 -10.572 1.00 21.04 H new ATOM 0 HH TYR A 71 -10.045 12.044 -9.474 1.00 4.30 H new ATOM 1150 N GLU A 72 -4.850 4.768 -9.054 1.00 73.11 N ATOM 1151 CA GLU A 72 -4.011 3.623 -9.460 1.00 64.20 C ATOM 1152 C GLU A 72 -3.657 2.776 -8.224 1.00 62.32 C ATOM 1153 O GLU A 72 -3.728 1.564 -8.278 1.00 50.23 O ATOM 1154 CB GLU A 72 -2.712 4.112 -10.193 1.00 3.32 C ATOM 1155 CG GLU A 72 -2.137 3.146 -11.270 1.00 53.05 C ATOM 1156 CD GLU A 72 -1.724 1.751 -10.741 1.00 3.24 C ATOM 1157 OE1 GLU A 72 -0.725 1.666 -9.995 1.00 72.41 O ATOM 1158 OE2 GLU A 72 -2.390 0.743 -11.076 1.00 51.52 O ATOM 0 H GLU A 72 -4.412 5.673 -9.224 1.00 73.11 H new ATOM 0 HA GLU A 72 -4.573 3.006 -10.162 1.00 64.20 H new ATOM 0 HB2 GLU A 72 -2.924 5.070 -10.668 1.00 3.32 H new ATOM 0 HB3 GLU A 72 -1.941 4.291 -9.444 1.00 3.32 H new ATOM 0 HG2 GLU A 72 -2.882 3.015 -12.054 1.00 53.05 H new ATOM 0 HG3 GLU A 72 -1.268 3.615 -11.731 1.00 53.05 H new ATOM 1165 N LEU A 73 -3.287 3.447 -7.115 1.00 44.00 N ATOM 1166 CA LEU A 73 -2.970 2.777 -5.837 1.00 50.45 C ATOM 1167 C LEU A 73 -4.189 2.002 -5.295 1.00 53.52 C ATOM 1168 O LEU A 73 -4.059 0.842 -4.915 1.00 40.42 O ATOM 1169 CB LEU A 73 -2.422 3.797 -4.782 1.00 43.04 C ATOM 1170 CG LEU A 73 -0.859 3.946 -4.720 1.00 32.31 C ATOM 1171 CD1 LEU A 73 -0.186 2.613 -4.288 1.00 43.15 C ATOM 1172 CD2 LEU A 73 -0.280 4.464 -6.064 1.00 61.02 C ATOM 0 H LEU A 73 -3.200 4.463 -7.079 1.00 44.00 H new ATOM 0 HA LEU A 73 -2.180 2.051 -6.030 1.00 50.45 H new ATOM 0 HB2 LEU A 73 -2.853 4.776 -4.993 1.00 43.04 H new ATOM 0 HB3 LEU A 73 -2.779 3.498 -3.796 1.00 43.04 H new ATOM 0 HG LEU A 73 -0.631 4.694 -3.961 1.00 32.31 H new ATOM 0 HD11 LEU A 73 0.895 2.746 -4.254 1.00 43.15 H new ATOM 0 HD12 LEU A 73 -0.548 2.326 -3.301 1.00 43.15 H new ATOM 0 HD13 LEU A 73 -0.433 1.831 -5.006 1.00 43.15 H new ATOM 0 HD21 LEU A 73 0.803 4.554 -5.983 1.00 61.02 H new ATOM 0 HD22 LEU A 73 -0.527 3.763 -6.861 1.00 61.02 H new ATOM 0 HD23 LEU A 73 -0.709 5.439 -6.293 1.00 61.02 H new ATOM 1184 N GLN A 74 -5.373 2.651 -5.288 1.00 64.31 N ATOM 1185 CA GLN A 74 -6.643 1.989 -4.881 1.00 23.35 C ATOM 1186 C GLN A 74 -6.933 0.753 -5.760 1.00 21.42 C ATOM 1187 O GLN A 74 -7.252 -0.323 -5.243 1.00 31.42 O ATOM 1188 CB GLN A 74 -7.833 2.984 -4.952 1.00 73.13 C ATOM 1189 CG GLN A 74 -7.786 4.113 -3.908 1.00 64.22 C ATOM 1190 CD GLN A 74 -8.938 5.105 -4.063 1.00 52.31 C ATOM 1191 OE1 GLN A 74 -9.997 4.960 -3.451 1.00 4.21 O ATOM 1192 NE2 GLN A 74 -8.750 6.108 -4.910 1.00 24.01 N ATOM 0 H GLN A 74 -5.482 3.629 -5.557 1.00 64.31 H new ATOM 0 HA GLN A 74 -6.525 1.658 -3.849 1.00 23.35 H new ATOM 0 HB2 GLN A 74 -7.860 3.428 -5.947 1.00 73.13 H new ATOM 0 HB3 GLN A 74 -8.762 2.428 -4.826 1.00 73.13 H new ATOM 0 HG2 GLN A 74 -7.816 3.680 -2.908 1.00 64.22 H new ATOM 0 HG3 GLN A 74 -6.839 4.645 -3.996 1.00 64.22 H new ATOM 0 HE21 GLN A 74 -7.861 6.201 -5.402 1.00 24.01 H new ATOM 0 HE22 GLN A 74 -9.494 6.787 -5.070 1.00 24.01 H new ATOM 1201 N GLU A 75 -6.750 0.933 -7.080 1.00 63.42 N ATOM 1202 CA GLU A 75 -7.006 -0.094 -8.108 1.00 70.43 C ATOM 1203 C GLU A 75 -6.112 -1.326 -7.883 1.00 4.22 C ATOM 1204 O GLU A 75 -6.598 -2.455 -7.739 1.00 40.34 O ATOM 1205 CB GLU A 75 -6.705 0.519 -9.506 1.00 61.52 C ATOM 1206 CG GLU A 75 -6.965 -0.404 -10.716 1.00 43.32 C ATOM 1207 CD GLU A 75 -8.454 -0.704 -10.960 1.00 41.54 C ATOM 1208 OE1 GLU A 75 -9.185 0.218 -11.374 1.00 34.11 O ATOM 1209 OE2 GLU A 75 -8.893 -1.859 -10.754 1.00 63.32 O ATOM 0 H GLU A 75 -6.414 1.813 -7.471 1.00 63.42 H new ATOM 0 HA GLU A 75 -8.047 -0.412 -8.047 1.00 70.43 H new ATOM 0 HB2 GLU A 75 -7.308 1.419 -9.624 1.00 61.52 H new ATOM 0 HB3 GLU A 75 -5.660 0.830 -9.528 1.00 61.52 H new ATOM 0 HG2 GLU A 75 -6.546 0.058 -11.610 1.00 43.32 H new ATOM 0 HG3 GLU A 75 -6.435 -1.344 -10.564 1.00 43.32 H new ATOM 1216 N ASN A 76 -4.802 -1.065 -7.819 1.00 61.41 N ATOM 1217 CA ASN A 76 -3.762 -2.083 -7.732 1.00 21.02 C ATOM 1218 C ASN A 76 -3.896 -2.855 -6.405 1.00 10.11 C ATOM 1219 O ASN A 76 -3.961 -4.079 -6.422 1.00 11.31 O ATOM 1220 CB ASN A 76 -2.352 -1.412 -7.928 1.00 21.12 C ATOM 1221 CG ASN A 76 -1.340 -1.635 -6.794 1.00 25.32 C ATOM 1222 OD1 ASN A 76 -1.259 -0.844 -5.856 1.00 31.21 O ATOM 1223 ND2 ASN A 76 -0.593 -2.729 -6.837 1.00 74.33 N ATOM 0 H ASN A 76 -4.432 -0.115 -7.827 1.00 61.41 H new ATOM 0 HA ASN A 76 -3.875 -2.818 -8.529 1.00 21.02 H new ATOM 0 HB2 ASN A 76 -1.918 -1.787 -8.855 1.00 21.12 H new ATOM 0 HB3 ASN A 76 -2.496 -0.339 -8.055 1.00 21.12 H new ATOM 0 HD21 ASN A 76 0.064 -2.928 -6.083 1.00 74.33 H new ATOM 0 HD22 ASN A 76 -0.676 -3.372 -7.624 1.00 74.33 H new ATOM 1230 N LEU A 77 -4.000 -2.115 -5.273 1.00 65.33 N ATOM 1231 CA LEU A 77 -4.086 -2.715 -3.925 1.00 22.12 C ATOM 1232 C LEU A 77 -5.388 -3.517 -3.746 1.00 44.12 C ATOM 1233 O LEU A 77 -5.387 -4.528 -3.052 1.00 34.03 O ATOM 1234 CB LEU A 77 -3.952 -1.635 -2.807 1.00 32.33 C ATOM 1235 CG LEU A 77 -2.582 -0.891 -2.713 1.00 54.22 C ATOM 1236 CD1 LEU A 77 -2.602 0.155 -1.573 1.00 64.34 C ATOM 1237 CD2 LEU A 77 -1.410 -1.884 -2.552 1.00 72.43 C ATOM 0 H LEU A 77 -4.026 -1.095 -5.272 1.00 65.33 H new ATOM 0 HA LEU A 77 -3.247 -3.405 -3.830 1.00 22.12 H new ATOM 0 HB2 LEU A 77 -4.734 -0.891 -2.957 1.00 32.33 H new ATOM 0 HB3 LEU A 77 -4.147 -2.113 -1.847 1.00 32.33 H new ATOM 0 HG LEU A 77 -2.424 -0.359 -3.651 1.00 54.22 H new ATOM 0 HD11 LEU A 77 -1.638 0.661 -1.526 1.00 64.34 H new ATOM 0 HD12 LEU A 77 -3.387 0.887 -1.765 1.00 64.34 H new ATOM 0 HD13 LEU A 77 -2.796 -0.345 -0.624 1.00 64.34 H new ATOM 0 HD21 LEU A 77 -0.472 -1.333 -2.490 1.00 72.43 H new ATOM 0 HD22 LEU A 77 -1.549 -2.467 -1.642 1.00 72.43 H new ATOM 0 HD23 LEU A 77 -1.380 -2.554 -3.411 1.00 72.43 H new ATOM 1249 N GLU A 78 -6.492 -3.061 -4.379 1.00 75.21 N ATOM 1250 CA GLU A 78 -7.777 -3.789 -4.344 1.00 24.32 C ATOM 1251 C GLU A 78 -7.694 -5.083 -5.172 1.00 2.00 C ATOM 1252 O GLU A 78 -8.272 -6.109 -4.799 1.00 41.00 O ATOM 1253 CB GLU A 78 -8.935 -2.887 -4.829 1.00 55.44 C ATOM 1254 CG GLU A 78 -10.330 -3.535 -4.723 1.00 1.50 C ATOM 1255 CD GLU A 78 -11.474 -2.544 -4.955 1.00 63.04 C ATOM 1256 OE1 GLU A 78 -11.782 -1.769 -4.027 1.00 63.34 O ATOM 1257 OE2 GLU A 78 -12.064 -2.528 -6.056 1.00 2.34 O ATOM 0 H GLU A 78 -6.518 -2.195 -4.918 1.00 75.21 H new ATOM 0 HA GLU A 78 -7.983 -4.067 -3.310 1.00 24.32 H new ATOM 0 HB2 GLU A 78 -8.930 -1.965 -4.247 1.00 55.44 H new ATOM 0 HB3 GLU A 78 -8.754 -2.610 -5.867 1.00 55.44 H new ATOM 0 HG2 GLU A 78 -10.405 -4.343 -5.451 1.00 1.50 H new ATOM 0 HG3 GLU A 78 -10.441 -3.984 -3.736 1.00 1.50 H new ATOM 1264 N LYS A 79 -6.950 -5.024 -6.288 1.00 5.21 N ATOM 1265 CA LYS A 79 -6.664 -6.207 -7.121 1.00 50.41 C ATOM 1266 C LYS A 79 -5.817 -7.227 -6.316 1.00 64.05 C ATOM 1267 O LYS A 79 -6.107 -8.422 -6.328 1.00 40.02 O ATOM 1268 CB LYS A 79 -5.948 -5.783 -8.435 1.00 55.44 C ATOM 1269 CG LYS A 79 -5.574 -6.926 -9.426 1.00 44.41 C ATOM 1270 CD LYS A 79 -6.788 -7.647 -10.097 1.00 51.51 C ATOM 1271 CE LYS A 79 -7.233 -8.925 -9.358 1.00 0.01 C ATOM 1272 NZ LYS A 79 -6.136 -9.936 -9.269 1.00 3.12 N ATOM 0 H LYS A 79 -6.532 -4.162 -6.638 1.00 5.21 H new ATOM 0 HA LYS A 79 -7.602 -6.689 -7.397 1.00 50.41 H new ATOM 0 HB2 LYS A 79 -6.589 -5.074 -8.959 1.00 55.44 H new ATOM 0 HB3 LYS A 79 -5.035 -5.250 -8.169 1.00 55.44 H new ATOM 0 HG2 LYS A 79 -4.939 -6.513 -10.209 1.00 44.41 H new ATOM 0 HG3 LYS A 79 -4.980 -7.668 -8.893 1.00 44.41 H new ATOM 0 HD2 LYS A 79 -7.629 -6.955 -10.147 1.00 51.51 H new ATOM 0 HD3 LYS A 79 -6.525 -7.904 -11.123 1.00 51.51 H new ATOM 0 HE2 LYS A 79 -7.567 -8.664 -8.354 1.00 0.01 H new ATOM 0 HE3 LYS A 79 -8.087 -9.363 -9.875 1.00 0.01 H new ATOM 0 HZ1 LYS A 79 -6.518 -10.832 -8.904 1.00 3.12 H new ATOM 0 HZ2 LYS A 79 -5.730 -10.092 -10.214 1.00 3.12 H new ATOM 0 HZ3 LYS A 79 -5.395 -9.589 -8.627 1.00 3.12 H new ATOM 1286 N LEU A 80 -4.821 -6.712 -5.565 1.00 14.05 N ATOM 1287 CA LEU A 80 -3.936 -7.531 -4.704 1.00 55.31 C ATOM 1288 C LEU A 80 -4.733 -8.139 -3.537 1.00 20.20 C ATOM 1289 O LEU A 80 -4.466 -9.251 -3.086 1.00 15.14 O ATOM 1290 CB LEU A 80 -2.781 -6.665 -4.141 1.00 35.25 C ATOM 1291 CG LEU A 80 -1.831 -6.001 -5.183 1.00 75.51 C ATOM 1292 CD1 LEU A 80 -0.750 -5.154 -4.480 1.00 74.31 C ATOM 1293 CD2 LEU A 80 -1.213 -7.038 -6.143 1.00 63.11 C ATOM 0 H LEU A 80 -4.606 -5.715 -5.537 1.00 14.05 H new ATOM 0 HA LEU A 80 -3.521 -8.335 -5.311 1.00 55.31 H new ATOM 0 HB2 LEU A 80 -3.215 -5.877 -3.526 1.00 35.25 H new ATOM 0 HB3 LEU A 80 -2.179 -7.289 -3.481 1.00 35.25 H new ATOM 0 HG LEU A 80 -2.432 -5.330 -5.796 1.00 75.51 H new ATOM 0 HD11 LEU A 80 -0.099 -4.701 -5.228 1.00 74.31 H new ATOM 0 HD12 LEU A 80 -1.227 -4.370 -3.892 1.00 74.31 H new ATOM 0 HD13 LEU A 80 -0.158 -5.792 -3.823 1.00 74.31 H new ATOM 0 HD21 LEU A 80 -0.558 -6.532 -6.852 1.00 63.11 H new ATOM 0 HD22 LEU A 80 -0.636 -7.765 -5.571 1.00 63.11 H new ATOM 0 HD23 LEU A 80 -2.008 -7.551 -6.685 1.00 63.11 H new ATOM 1305 N LEU A 81 -5.704 -7.362 -3.059 1.00 72.54 N ATOM 1306 CA LEU A 81 -6.667 -7.771 -2.024 1.00 64.13 C ATOM 1307 C LEU A 81 -7.535 -8.936 -2.536 1.00 72.22 C ATOM 1308 O LEU A 81 -7.806 -9.891 -1.800 1.00 72.33 O ATOM 1309 CB LEU A 81 -7.494 -6.516 -1.604 1.00 41.00 C ATOM 1310 CG LEU A 81 -8.845 -6.740 -0.822 1.00 13.42 C ATOM 1311 CD1 LEU A 81 -8.979 -5.784 0.385 1.00 2.44 C ATOM 1312 CD2 LEU A 81 -10.069 -6.586 -1.767 1.00 63.22 C ATOM 0 H LEU A 81 -5.851 -6.407 -3.385 1.00 72.54 H new ATOM 0 HA LEU A 81 -6.159 -8.148 -1.137 1.00 64.13 H new ATOM 0 HB2 LEU A 81 -6.853 -5.886 -0.987 1.00 41.00 H new ATOM 0 HB3 LEU A 81 -7.722 -5.950 -2.507 1.00 41.00 H new ATOM 0 HG LEU A 81 -8.824 -7.760 -0.439 1.00 13.42 H new ATOM 0 HD11 LEU A 81 -9.924 -5.972 0.895 1.00 2.44 H new ATOM 0 HD12 LEU A 81 -8.153 -5.953 1.076 1.00 2.44 H new ATOM 0 HD13 LEU A 81 -8.955 -4.752 0.036 1.00 2.44 H new ATOM 0 HD21 LEU A 81 -10.987 -6.746 -1.202 1.00 63.22 H new ATOM 0 HD22 LEU A 81 -10.075 -5.583 -2.194 1.00 63.22 H new ATOM 0 HD23 LEU A 81 -10.004 -7.321 -2.569 1.00 63.22 H new ATOM 1324 N GLN A 82 -7.922 -8.858 -3.821 1.00 74.43 N ATOM 1325 CA GLN A 82 -8.610 -9.960 -4.522 1.00 15.04 C ATOM 1326 C GLN A 82 -7.668 -11.160 -4.750 1.00 1.50 C ATOM 1327 O GLN A 82 -8.125 -12.305 -4.765 1.00 70.34 O ATOM 1328 CB GLN A 82 -9.194 -9.457 -5.871 1.00 75.34 C ATOM 1329 CG GLN A 82 -10.359 -8.455 -5.737 1.00 1.10 C ATOM 1330 CD GLN A 82 -11.602 -9.064 -5.079 1.00 24.40 C ATOM 1331 OE1 GLN A 82 -11.683 -8.984 -3.769 1.00 0.51 O flip ATOM 1332 NE2 GLN A 82 -12.480 -9.610 -5.750 1.00 52.42 N flip ATOM 0 H GLN A 82 -7.768 -8.034 -4.402 1.00 74.43 H new ATOM 0 HA GLN A 82 -9.429 -10.302 -3.889 1.00 15.04 H new ATOM 0 HB2 GLN A 82 -8.394 -8.989 -6.445 1.00 75.34 H new ATOM 0 HB3 GLN A 82 -9.537 -10.317 -6.446 1.00 75.34 H new ATOM 0 HG2 GLN A 82 -10.028 -7.598 -5.151 1.00 1.10 H new ATOM 0 HG3 GLN A 82 -10.625 -8.081 -6.726 1.00 1.10 H new ATOM 0 HE21 GLN A 82 -12.391 -9.657 -6.765 1.00 52.42 H new ATOM 0 HE22 GLN A 82 -13.296 -10.014 -5.290 1.00 52.42 H new ATOM 1341 N ASP A 83 -6.356 -10.889 -4.935 1.00 61.00 N ATOM 1342 CA ASP A 83 -5.325 -11.948 -5.068 1.00 21.45 C ATOM 1343 C ASP A 83 -5.095 -12.661 -3.725 1.00 53.15 C ATOM 1344 O ASP A 83 -4.722 -13.838 -3.698 1.00 2.41 O ATOM 1345 CB ASP A 83 -3.978 -11.382 -5.607 1.00 32.43 C ATOM 1346 CG ASP A 83 -4.025 -10.942 -7.074 1.00 51.11 C ATOM 1347 OD1 ASP A 83 -4.330 -11.789 -7.937 1.00 15.45 O ATOM 1348 OD2 ASP A 83 -3.745 -9.760 -7.386 1.00 22.04 O ATOM 0 H ASP A 83 -5.983 -9.942 -4.996 1.00 61.00 H new ATOM 0 HA ASP A 83 -5.701 -12.669 -5.793 1.00 21.45 H new ATOM 0 HB2 ASP A 83 -3.683 -10.531 -4.993 1.00 32.43 H new ATOM 0 HB3 ASP A 83 -3.205 -12.142 -5.492 1.00 32.43 H new ATOM 1353 N ALA A 84 -5.306 -11.923 -2.616 1.00 61.01 N ATOM 1354 CA ALA A 84 -5.256 -12.482 -1.254 1.00 31.21 C ATOM 1355 C ALA A 84 -6.497 -13.338 -0.983 1.00 51.15 C ATOM 1356 O ALA A 84 -6.390 -14.407 -0.385 1.00 50.30 O ATOM 1357 CB ALA A 84 -5.128 -11.359 -0.219 1.00 50.45 C ATOM 0 H ALA A 84 -5.515 -10.925 -2.642 1.00 61.01 H new ATOM 0 HA ALA A 84 -4.377 -13.121 -1.170 1.00 31.21 H new ATOM 0 HB1 ALA A 84 -5.092 -11.789 0.782 1.00 50.45 H new ATOM 0 HB2 ALA A 84 -4.214 -10.796 -0.405 1.00 50.45 H new ATOM 0 HB3 ALA A 84 -5.987 -10.693 -0.297 1.00 50.45 H new ATOM 1363 N TYR A 85 -7.671 -12.850 -1.447 1.00 11.43 N ATOM 1364 CA TYR A 85 -8.947 -13.604 -1.375 1.00 15.45 C ATOM 1365 C TYR A 85 -8.915 -14.859 -2.275 1.00 62.32 C ATOM 1366 O TYR A 85 -9.668 -15.811 -2.049 1.00 14.33 O ATOM 1367 CB TYR A 85 -10.141 -12.689 -1.758 1.00 62.21 C ATOM 1368 CG TYR A 85 -10.586 -11.697 -0.663 1.00 61.23 C ATOM 1369 CD1 TYR A 85 -10.894 -12.145 0.622 1.00 10.41 C ATOM 1370 CD2 TYR A 85 -10.721 -10.329 -0.914 1.00 21.31 C ATOM 1371 CE1 TYR A 85 -11.332 -11.270 1.602 1.00 61.11 C ATOM 1372 CE2 TYR A 85 -11.152 -9.457 0.068 1.00 32.44 C ATOM 1373 CZ TYR A 85 -11.448 -9.929 1.324 1.00 72.33 C ATOM 1374 OH TYR A 85 -11.879 -9.049 2.298 1.00 70.04 O ATOM 0 H TYR A 85 -7.762 -11.930 -1.879 1.00 11.43 H new ATOM 0 HA TYR A 85 -9.078 -13.938 -0.346 1.00 15.45 H new ATOM 0 HB2 TYR A 85 -9.873 -12.124 -2.651 1.00 62.21 H new ATOM 0 HB3 TYR A 85 -10.990 -13.319 -2.022 1.00 62.21 H new ATOM 0 HD1 TYR A 85 -10.789 -13.194 0.857 1.00 10.41 H new ATOM 0 HD2 TYR A 85 -10.484 -9.945 -1.895 1.00 21.31 H new ATOM 0 HE1 TYR A 85 -11.582 -11.641 2.585 1.00 61.11 H new ATOM 0 HE2 TYR A 85 -11.256 -8.405 -0.152 1.00 32.44 H new ATOM 0 HH TYR A 85 -11.902 -8.141 1.931 1.00 70.04 H new ATOM 1384 N GLU A 86 -8.055 -14.830 -3.303 1.00 15.34 N ATOM 1385 CA GLU A 86 -7.721 -16.023 -4.103 1.00 32.54 C ATOM 1386 C GLU A 86 -6.675 -16.880 -3.361 1.00 1.31 C ATOM 1387 O GLU A 86 -6.273 -16.551 -2.236 1.00 73.13 O ATOM 1388 CB GLU A 86 -7.235 -15.612 -5.522 1.00 21.25 C ATOM 1389 CG GLU A 86 -8.365 -15.250 -6.511 1.00 63.14 C ATOM 1390 CD GLU A 86 -9.211 -16.472 -6.932 1.00 43.45 C ATOM 1391 OE1 GLU A 86 -8.770 -17.230 -7.825 1.00 54.03 O ATOM 1392 OE2 GLU A 86 -10.308 -16.692 -6.368 1.00 3.53 O ATOM 0 H GLU A 86 -7.572 -13.984 -3.605 1.00 15.34 H new ATOM 0 HA GLU A 86 -8.617 -16.630 -4.233 1.00 32.54 H new ATOM 0 HB2 GLU A 86 -6.565 -14.757 -5.428 1.00 21.25 H new ATOM 0 HB3 GLU A 86 -6.651 -16.431 -5.943 1.00 21.25 H new ATOM 0 HG2 GLU A 86 -9.016 -14.504 -6.054 1.00 63.14 H new ATOM 0 HG3 GLU A 86 -7.930 -14.792 -7.400 1.00 63.14 H new ATOM 1399 N ARG A 87 -6.250 -17.980 -4.009 1.00 30.13 N ATOM 1400 CA ARG A 87 -5.406 -19.020 -3.399 1.00 22.52 C ATOM 1401 C ARG A 87 -6.196 -19.722 -2.258 1.00 72.45 C ATOM 1402 O ARG A 87 -6.910 -20.698 -2.526 1.00 64.13 O ATOM 1403 CB ARG A 87 -3.997 -18.469 -2.942 1.00 23.14 C ATOM 1404 CG ARG A 87 -3.070 -19.449 -2.161 1.00 32.22 C ATOM 1405 CD ARG A 87 -2.707 -20.733 -2.931 1.00 73.11 C ATOM 1406 NE ARG A 87 -3.823 -21.701 -2.968 1.00 32.21 N ATOM 1407 CZ ARG A 87 -4.019 -22.636 -3.923 1.00 21.42 C ATOM 1408 NH1 ARG A 87 -3.160 -22.770 -4.949 1.00 32.34 N ATOM 1409 NH2 ARG A 87 -5.086 -23.421 -3.864 1.00 2.11 N ATOM 0 H ARG A 87 -6.487 -18.172 -4.982 1.00 30.13 H new ATOM 0 HA ARG A 87 -5.170 -19.770 -4.154 1.00 22.52 H new ATOM 0 HB2 ARG A 87 -3.462 -18.132 -3.830 1.00 23.14 H new ATOM 0 HB3 ARG A 87 -4.163 -17.591 -2.318 1.00 23.14 H new ATOM 0 HG2 ARG A 87 -2.151 -18.927 -1.896 1.00 32.22 H new ATOM 0 HG3 ARG A 87 -3.559 -19.726 -1.227 1.00 32.22 H new ATOM 0 HD2 ARG A 87 -2.420 -20.474 -3.950 1.00 73.11 H new ATOM 0 HD3 ARG A 87 -1.839 -21.200 -2.465 1.00 73.11 H new ATOM 0 HE ARG A 87 -4.503 -21.660 -2.208 1.00 32.21 H new ATOM 0 HH11 ARG A 87 -2.345 -22.160 -5.015 1.00 32.34 H new ATOM 0 HH12 ARG A 87 -3.323 -23.481 -5.661 1.00 32.34 H new ATOM 0 HH21 ARG A 87 -5.754 -23.317 -3.100 1.00 2.11 H new ATOM 0 HH22 ARG A 87 -5.239 -24.129 -4.583 1.00 2.11 H new ATOM 1423 N SER A 88 -6.120 -19.183 -1.025 1.00 2.12 N ATOM 1424 CA SER A 88 -6.695 -19.824 0.186 1.00 30.20 C ATOM 1425 C SER A 88 -6.737 -18.824 1.356 1.00 20.24 C ATOM 1426 O SER A 88 -5.973 -17.848 1.374 1.00 11.51 O ATOM 1427 CB SER A 88 -5.859 -21.067 0.627 1.00 71.41 C ATOM 1428 OG SER A 88 -5.809 -22.056 -0.382 1.00 33.21 O ATOM 0 H SER A 88 -5.660 -18.293 -0.835 1.00 2.12 H new ATOM 0 HA SER A 88 -7.705 -20.145 -0.070 1.00 30.20 H new ATOM 0 HB2 SER A 88 -4.846 -20.752 0.877 1.00 71.41 H new ATOM 0 HB3 SER A 88 -6.293 -21.493 1.532 1.00 71.41 H new ATOM 0 HG SER A 88 -5.276 -22.816 -0.069 1.00 33.21 H new ATOM 1434 N GLU A 89 -7.621 -19.092 2.344 1.00 13.51 N ATOM 1435 CA GLU A 89 -7.623 -18.387 3.642 1.00 4.04 C ATOM 1436 C GLU A 89 -7.417 -19.392 4.788 1.00 40.33 C ATOM 1437 O GLU A 89 -8.095 -20.418 4.860 1.00 43.04 O ATOM 1438 CB GLU A 89 -8.944 -17.594 3.892 1.00 35.01 C ATOM 1439 CG GLU A 89 -8.920 -16.769 5.210 1.00 4.44 C ATOM 1440 CD GLU A 89 -10.178 -15.920 5.477 1.00 44.01 C ATOM 1441 OE1 GLU A 89 -10.718 -15.307 4.527 1.00 12.11 O ATOM 1442 OE2 GLU A 89 -10.614 -15.839 6.654 1.00 52.21 O ATOM 0 H GLU A 89 -8.350 -19.801 2.262 1.00 13.51 H new ATOM 0 HA GLU A 89 -6.803 -17.669 3.611 1.00 4.04 H new ATOM 0 HB2 GLU A 89 -9.121 -16.922 3.053 1.00 35.01 H new ATOM 0 HB3 GLU A 89 -9.780 -18.293 3.923 1.00 35.01 H new ATOM 0 HG2 GLU A 89 -8.780 -17.454 6.046 1.00 4.44 H new ATOM 0 HG3 GLU A 89 -8.053 -16.109 5.190 1.00 4.44 H new ATOM 1449 N SER A 90 -6.432 -19.103 5.635 1.00 75.32 N ATOM 1450 CA SER A 90 -6.255 -19.709 6.965 1.00 23.22 C ATOM 1451 C SER A 90 -5.829 -18.580 7.921 1.00 23.41 C ATOM 1452 O SER A 90 -6.350 -18.440 9.034 1.00 41.23 O ATOM 1453 CB SER A 90 -5.187 -20.828 6.899 1.00 63.04 C ATOM 1454 OG SER A 90 -5.512 -21.794 5.911 1.00 54.04 O ATOM 0 H SER A 90 -5.708 -18.419 5.413 1.00 75.32 H new ATOM 0 HA SER A 90 -7.177 -20.169 7.319 1.00 23.22 H new ATOM 0 HB2 SER A 90 -4.213 -20.391 6.677 1.00 63.04 H new ATOM 0 HB3 SER A 90 -5.105 -21.313 7.872 1.00 63.04 H new ATOM 0 HG SER A 90 -4.819 -22.487 5.891 1.00 54.04 H new ATOM 1460 N LEU A 91 -4.888 -17.759 7.432 1.00 42.32 N ATOM 1461 CA LEU A 91 -4.483 -16.480 8.051 1.00 72.33 C ATOM 1462 C LEU A 91 -4.076 -15.490 6.936 1.00 74.34 C ATOM 1463 O LEU A 91 -4.178 -14.278 7.106 1.00 41.01 O ATOM 1464 CB LEU A 91 -3.304 -16.727 9.070 1.00 22.33 C ATOM 1465 CG LEU A 91 -2.792 -15.515 9.962 1.00 63.12 C ATOM 1466 CD1 LEU A 91 -2.064 -16.041 11.217 1.00 34.03 C ATOM 1467 CD2 LEU A 91 -1.855 -14.539 9.195 1.00 40.12 C ATOM 0 H LEU A 91 -4.374 -17.967 6.576 1.00 42.32 H new ATOM 0 HA LEU A 91 -5.314 -16.049 8.609 1.00 72.33 H new ATOM 0 HB2 LEU A 91 -3.614 -17.525 9.745 1.00 22.33 H new ATOM 0 HB3 LEU A 91 -2.452 -17.102 8.503 1.00 22.33 H new ATOM 0 HG LEU A 91 -3.681 -14.953 10.247 1.00 63.12 H new ATOM 0 HD11 LEU A 91 -1.719 -15.199 11.817 1.00 34.03 H new ATOM 0 HD12 LEU A 91 -2.749 -16.651 11.806 1.00 34.03 H new ATOM 0 HD13 LEU A 91 -1.209 -16.645 10.915 1.00 34.03 H new ATOM 0 HD21 LEU A 91 -1.542 -13.735 9.862 1.00 40.12 H new ATOM 0 HD22 LEU A 91 -0.977 -15.080 8.842 1.00 40.12 H new ATOM 0 HD23 LEU A 91 -2.388 -14.117 8.343 1.00 40.12 H new ATOM 1479 N GLU A 92 -3.707 -16.038 5.771 1.00 43.40 N ATOM 1480 CA GLU A 92 -2.873 -15.375 4.751 1.00 1.23 C ATOM 1481 C GLU A 92 -3.544 -14.118 4.152 1.00 74.12 C ATOM 1482 O GLU A 92 -2.856 -13.135 3.811 1.00 71.13 O ATOM 1483 CB GLU A 92 -2.534 -16.405 3.635 1.00 14.42 C ATOM 1484 CG GLU A 92 -1.715 -17.651 4.089 1.00 53.51 C ATOM 1485 CD GLU A 92 -2.502 -18.613 5.002 1.00 62.05 C ATOM 1486 OE1 GLU A 92 -3.646 -18.962 4.638 1.00 5.52 O ATOM 1487 OE2 GLU A 92 -2.039 -18.939 6.113 1.00 54.33 O ATOM 0 H GLU A 92 -3.986 -16.981 5.501 1.00 43.40 H new ATOM 0 HA GLU A 92 -1.960 -15.027 5.234 1.00 1.23 H new ATOM 0 HB2 GLU A 92 -3.467 -16.750 3.189 1.00 14.42 H new ATOM 0 HB3 GLU A 92 -1.976 -15.893 2.851 1.00 14.42 H new ATOM 0 HG2 GLU A 92 -1.380 -18.195 3.206 1.00 53.51 H new ATOM 0 HG3 GLU A 92 -0.821 -17.315 4.615 1.00 53.51 H new ATOM 1494 N VAL A 93 -4.886 -14.161 4.045 1.00 73.24 N ATOM 1495 CA VAL A 93 -5.702 -13.034 3.540 1.00 53.41 C ATOM 1496 C VAL A 93 -5.523 -11.772 4.416 1.00 55.44 C ATOM 1497 O VAL A 93 -5.426 -10.657 3.889 1.00 24.32 O ATOM 1498 CB VAL A 93 -7.228 -13.422 3.485 1.00 12.32 C ATOM 1499 CG1 VAL A 93 -8.116 -12.240 3.023 1.00 73.41 C ATOM 1500 CG2 VAL A 93 -7.440 -14.650 2.589 1.00 63.33 C ATOM 0 H VAL A 93 -5.438 -14.978 4.306 1.00 73.24 H new ATOM 0 HA VAL A 93 -5.353 -12.812 2.531 1.00 53.41 H new ATOM 0 HB VAL A 93 -7.536 -13.673 4.500 1.00 12.32 H new ATOM 0 HG11 VAL A 93 -9.159 -12.556 3.001 1.00 73.41 H new ATOM 0 HG12 VAL A 93 -8.004 -11.407 3.717 1.00 73.41 H new ATOM 0 HG13 VAL A 93 -7.811 -11.924 2.025 1.00 73.41 H new ATOM 0 HG21 VAL A 93 -8.500 -14.903 2.563 1.00 63.33 H new ATOM 0 HG22 VAL A 93 -7.095 -14.427 1.579 1.00 63.33 H new ATOM 0 HG23 VAL A 93 -6.875 -15.493 2.987 1.00 63.33 H new ATOM 1510 N ALA A 94 -5.417 -11.997 5.743 1.00 12.45 N ATOM 1511 CA ALA A 94 -5.422 -10.937 6.761 1.00 2.50 C ATOM 1512 C ALA A 94 -4.337 -9.881 6.516 1.00 62.02 C ATOM 1513 O ALA A 94 -4.645 -8.700 6.553 1.00 73.41 O ATOM 1514 CB ALA A 94 -5.282 -11.541 8.163 1.00 64.12 C ATOM 0 H ALA A 94 -5.325 -12.933 6.137 1.00 12.45 H new ATOM 0 HA ALA A 94 -6.382 -10.426 6.687 1.00 2.50 H new ATOM 0 HB1 ALA A 94 -5.287 -10.743 8.905 1.00 64.12 H new ATOM 0 HB2 ALA A 94 -6.115 -12.218 8.352 1.00 64.12 H new ATOM 0 HB3 ALA A 94 -4.344 -12.092 8.230 1.00 64.12 H new ATOM 1520 N PHE A 95 -3.090 -10.336 6.228 1.00 23.14 N ATOM 1521 CA PHE A 95 -1.930 -9.441 6.015 1.00 41.30 C ATOM 1522 C PHE A 95 -2.220 -8.415 4.901 1.00 11.22 C ATOM 1523 O PHE A 95 -2.235 -7.203 5.149 1.00 40.14 O ATOM 1524 CB PHE A 95 -0.641 -10.258 5.672 1.00 13.14 C ATOM 1525 CG PHE A 95 0.593 -9.383 5.376 1.00 61.34 C ATOM 1526 CD1 PHE A 95 1.371 -8.849 6.412 1.00 64.43 C ATOM 1527 CD2 PHE A 95 0.954 -9.067 4.056 1.00 53.34 C ATOM 1528 CE1 PHE A 95 2.456 -8.029 6.134 1.00 54.32 C ATOM 1529 CE2 PHE A 95 2.037 -8.258 3.791 1.00 32.53 C ATOM 1530 CZ PHE A 95 2.782 -7.739 4.827 1.00 33.53 C ATOM 0 H PHE A 95 -2.865 -11.327 6.138 1.00 23.14 H new ATOM 0 HA PHE A 95 -1.758 -8.902 6.947 1.00 41.30 H new ATOM 0 HB2 PHE A 95 -0.412 -10.923 6.505 1.00 13.14 H new ATOM 0 HB3 PHE A 95 -0.842 -10.889 4.807 1.00 13.14 H new ATOM 0 HD1 PHE A 95 1.124 -9.078 7.438 1.00 64.43 H new ATOM 0 HD2 PHE A 95 0.374 -9.464 3.236 1.00 53.34 H new ATOM 0 HE1 PHE A 95 3.044 -7.619 6.941 1.00 54.32 H new ATOM 0 HE2 PHE A 95 2.302 -8.030 2.769 1.00 32.53 H new ATOM 0 HZ PHE A 95 3.627 -7.101 4.613 1.00 33.53 H new ATOM 1540 N VAL A 96 -2.472 -8.930 3.686 1.00 51.30 N ATOM 1541 CA VAL A 96 -2.671 -8.106 2.488 1.00 0.40 C ATOM 1542 C VAL A 96 -3.866 -7.159 2.661 1.00 54.22 C ATOM 1543 O VAL A 96 -3.707 -5.947 2.538 1.00 3.30 O ATOM 1544 CB VAL A 96 -2.882 -9.007 1.229 1.00 32.20 C ATOM 1545 CG1 VAL A 96 -3.241 -8.171 -0.025 1.00 0.31 C ATOM 1546 CG2 VAL A 96 -1.649 -9.914 0.990 1.00 23.43 C ATOM 0 H VAL A 96 -2.543 -9.932 3.509 1.00 51.30 H new ATOM 0 HA VAL A 96 -1.773 -7.505 2.346 1.00 0.40 H new ATOM 0 HB VAL A 96 -3.736 -9.656 1.422 1.00 32.20 H new ATOM 0 HG11 VAL A 96 -3.379 -8.835 -0.878 1.00 0.31 H new ATOM 0 HG12 VAL A 96 -4.163 -7.618 0.158 1.00 0.31 H new ATOM 0 HG13 VAL A 96 -2.434 -7.470 -0.238 1.00 0.31 H new ATOM 0 HG21 VAL A 96 -1.818 -10.533 0.109 1.00 23.43 H new ATOM 0 HG22 VAL A 96 -0.766 -9.294 0.835 1.00 23.43 H new ATOM 0 HG23 VAL A 96 -1.495 -10.554 1.858 1.00 23.43 H new ATOM 1556 N THR A 97 -5.031 -7.740 3.010 1.00 61.20 N ATOM 1557 CA THR A 97 -6.291 -6.998 3.196 1.00 24.41 C ATOM 1558 C THR A 97 -6.120 -5.847 4.213 1.00 75.12 C ATOM 1559 O THR A 97 -6.531 -4.715 3.947 1.00 12.34 O ATOM 1560 CB THR A 97 -7.434 -7.967 3.650 1.00 54.21 C ATOM 1561 OG1 THR A 97 -7.606 -8.986 2.651 1.00 61.13 O ATOM 1562 CG2 THR A 97 -8.785 -7.250 3.887 1.00 73.25 C ATOM 0 H THR A 97 -5.123 -8.743 3.171 1.00 61.20 H new ATOM 0 HA THR A 97 -6.566 -6.558 2.237 1.00 24.41 H new ATOM 0 HB THR A 97 -7.132 -8.396 4.606 1.00 54.21 H new ATOM 0 HG1 THR A 97 -6.973 -9.716 2.816 1.00 61.13 H new ATOM 0 HG21 THR A 97 -9.534 -7.978 4.199 1.00 73.25 H new ATOM 0 HG22 THR A 97 -8.665 -6.496 4.665 1.00 73.25 H new ATOM 0 HG23 THR A 97 -9.109 -6.770 2.964 1.00 73.25 H new ATOM 1570 N GLN A 98 -5.442 -6.149 5.331 1.00 5.22 N ATOM 1571 CA GLN A 98 -5.175 -5.184 6.410 1.00 62.23 C ATOM 1572 C GLN A 98 -4.278 -4.046 5.925 1.00 75.24 C ATOM 1573 O GLN A 98 -4.540 -2.887 6.232 1.00 23.21 O ATOM 1574 CB GLN A 98 -4.509 -5.911 7.602 1.00 53.23 C ATOM 1575 CG GLN A 98 -4.022 -5.017 8.757 1.00 24.04 C ATOM 1576 CD GLN A 98 -3.359 -5.815 9.880 1.00 0.23 C ATOM 1577 OE1 GLN A 98 -3.722 -6.961 10.154 1.00 62.14 O ATOM 1578 NE2 GLN A 98 -2.364 -5.229 10.523 1.00 71.01 N ATOM 0 H GLN A 98 -5.060 -7.077 5.514 1.00 5.22 H new ATOM 0 HA GLN A 98 -6.124 -4.752 6.728 1.00 62.23 H new ATOM 0 HB2 GLN A 98 -5.220 -6.633 8.004 1.00 53.23 H new ATOM 0 HB3 GLN A 98 -3.658 -6.478 7.225 1.00 53.23 H new ATOM 0 HG2 GLN A 98 -3.314 -4.284 8.370 1.00 24.04 H new ATOM 0 HG3 GLN A 98 -4.867 -4.461 9.162 1.00 24.04 H new ATOM 0 HE21 GLN A 98 -2.085 -4.280 10.275 1.00 71.01 H new ATOM 0 HE22 GLN A 98 -1.875 -5.726 11.267 1.00 71.01 H new ATOM 1587 N LEU A 99 -3.212 -4.392 5.173 1.00 31.40 N ATOM 1588 CA LEU A 99 -2.249 -3.398 4.649 1.00 60.30 C ATOM 1589 C LEU A 99 -2.859 -2.534 3.530 1.00 24.00 C ATOM 1590 O LEU A 99 -2.443 -1.386 3.353 1.00 75.43 O ATOM 1591 CB LEU A 99 -0.915 -4.068 4.185 1.00 32.21 C ATOM 1592 CG LEU A 99 0.204 -4.190 5.278 1.00 61.13 C ATOM 1593 CD1 LEU A 99 -0.173 -5.166 6.407 1.00 15.40 C ATOM 1594 CD2 LEU A 99 1.561 -4.534 4.628 1.00 3.34 C ATOM 0 H LEU A 99 -2.995 -5.355 4.914 1.00 31.40 H new ATOM 0 HA LEU A 99 -2.010 -2.731 5.477 1.00 60.30 H new ATOM 0 HB2 LEU A 99 -1.143 -5.067 3.812 1.00 32.21 H new ATOM 0 HB3 LEU A 99 -0.516 -3.497 3.346 1.00 32.21 H new ATOM 0 HG LEU A 99 0.303 -3.216 5.758 1.00 61.13 H new ATOM 0 HD11 LEU A 99 0.637 -5.211 7.135 1.00 15.40 H new ATOM 0 HD12 LEU A 99 -1.083 -4.821 6.898 1.00 15.40 H new ATOM 0 HD13 LEU A 99 -0.341 -6.159 5.989 1.00 15.40 H new ATOM 0 HD21 LEU A 99 2.325 -4.615 5.401 1.00 3.34 H new ATOM 0 HD22 LEU A 99 1.480 -5.483 4.098 1.00 3.34 H new ATOM 0 HD23 LEU A 99 1.838 -3.748 3.925 1.00 3.34 H new ATOM 1606 N VAL A 100 -3.832 -3.086 2.789 1.00 55.12 N ATOM 1607 CA VAL A 100 -4.620 -2.314 1.813 1.00 10.02 C ATOM 1608 C VAL A 100 -5.476 -1.283 2.572 1.00 41.15 C ATOM 1609 O VAL A 100 -5.422 -0.098 2.263 1.00 43.12 O ATOM 1610 CB VAL A 100 -5.530 -3.246 0.923 1.00 73.21 C ATOM 1611 CG1 VAL A 100 -6.489 -2.432 0.016 1.00 21.44 C ATOM 1612 CG2 VAL A 100 -4.666 -4.219 0.086 1.00 40.54 C ATOM 0 H VAL A 100 -4.094 -4.070 2.847 1.00 55.12 H new ATOM 0 HA VAL A 100 -3.935 -1.804 1.136 1.00 10.02 H new ATOM 0 HB VAL A 100 -6.152 -3.832 1.599 1.00 73.21 H new ATOM 0 HG11 VAL A 100 -7.095 -3.115 -0.578 1.00 21.44 H new ATOM 0 HG12 VAL A 100 -7.140 -1.815 0.636 1.00 21.44 H new ATOM 0 HG13 VAL A 100 -5.907 -1.793 -0.648 1.00 21.44 H new ATOM 0 HG21 VAL A 100 -5.314 -4.852 -0.520 1.00 40.54 H new ATOM 0 HG22 VAL A 100 -4.004 -3.649 -0.565 1.00 40.54 H new ATOM 0 HG23 VAL A 100 -4.071 -4.843 0.753 1.00 40.54 H new ATOM 1622 N LYS A 101 -6.208 -1.760 3.602 1.00 50.14 N ATOM 1623 CA LYS A 101 -7.038 -0.906 4.485 1.00 71.32 C ATOM 1624 C LYS A 101 -6.198 0.198 5.162 1.00 23.15 C ATOM 1625 O LYS A 101 -6.616 1.356 5.234 1.00 14.00 O ATOM 1626 CB LYS A 101 -7.761 -1.770 5.578 1.00 50.20 C ATOM 1627 CG LYS A 101 -9.213 -2.232 5.271 1.00 3.32 C ATOM 1628 CD LYS A 101 -9.362 -3.303 4.153 1.00 22.44 C ATOM 1629 CE LYS A 101 -9.399 -2.722 2.728 1.00 10.30 C ATOM 1630 NZ LYS A 101 -10.535 -1.777 2.538 1.00 21.01 N ATOM 0 H LYS A 101 -6.241 -2.750 3.847 1.00 50.14 H new ATOM 0 HA LYS A 101 -7.788 -0.426 3.856 1.00 71.32 H new ATOM 0 HB2 LYS A 101 -7.156 -2.658 5.762 1.00 50.20 H new ATOM 0 HB3 LYS A 101 -7.777 -1.197 6.505 1.00 50.20 H new ATOM 0 HG2 LYS A 101 -9.649 -2.628 6.188 1.00 3.32 H new ATOM 0 HG3 LYS A 101 -9.800 -1.358 4.991 1.00 3.32 H new ATOM 0 HD2 LYS A 101 -8.533 -4.007 4.226 1.00 22.44 H new ATOM 0 HD3 LYS A 101 -10.277 -3.870 4.327 1.00 22.44 H new ATOM 0 HE2 LYS A 101 -8.461 -2.207 2.523 1.00 10.30 H new ATOM 0 HE3 LYS A 101 -9.480 -3.536 2.007 1.00 10.30 H new ATOM 0 HZ1 LYS A 101 -10.734 -1.673 1.523 1.00 21.01 H new ATOM 0 HZ2 LYS A 101 -11.379 -2.147 3.020 1.00 21.01 H new ATOM 0 HZ3 LYS A 101 -10.286 -0.850 2.939 1.00 21.01 H new ATOM 1644 N LYS A 102 -5.006 -0.190 5.635 1.00 0.12 N ATOM 1645 CA LYS A 102 -4.148 0.671 6.460 1.00 2.14 C ATOM 1646 C LYS A 102 -3.488 1.750 5.594 1.00 40.02 C ATOM 1647 O LYS A 102 -3.485 2.929 5.960 1.00 3.12 O ATOM 1648 CB LYS A 102 -3.076 -0.189 7.186 1.00 31.04 C ATOM 1649 CG LYS A 102 -2.292 0.532 8.303 1.00 13.24 C ATOM 1650 CD LYS A 102 -3.206 1.109 9.417 1.00 60.32 C ATOM 1651 CE LYS A 102 -2.471 1.305 10.759 1.00 53.30 C ATOM 1652 NZ LYS A 102 -1.241 2.147 10.646 1.00 32.31 N ATOM 0 H LYS A 102 -4.609 -1.112 5.456 1.00 0.12 H new ATOM 0 HA LYS A 102 -4.760 1.168 7.213 1.00 2.14 H new ATOM 0 HB2 LYS A 102 -3.566 -1.063 7.616 1.00 31.04 H new ATOM 0 HB3 LYS A 102 -2.365 -0.554 6.445 1.00 31.04 H new ATOM 0 HG2 LYS A 102 -1.583 -0.166 8.749 1.00 13.24 H new ATOM 0 HG3 LYS A 102 -1.709 1.342 7.864 1.00 13.24 H new ATOM 0 HD2 LYS A 102 -3.611 2.066 9.088 1.00 60.32 H new ATOM 0 HD3 LYS A 102 -4.053 0.440 9.567 1.00 60.32 H new ATOM 0 HE2 LYS A 102 -3.153 1.765 11.474 1.00 53.30 H new ATOM 0 HE3 LYS A 102 -2.198 0.329 11.161 1.00 53.30 H new ATOM 0 HZ1 LYS A 102 -0.815 2.267 11.587 1.00 32.31 H new ATOM 0 HZ2 LYS A 102 -0.559 1.682 10.014 1.00 32.31 H new ATOM 0 HZ3 LYS A 102 -1.493 3.079 10.259 1.00 32.31 H new ATOM 1666 N LEU A 103 -2.952 1.327 4.429 1.00 75.45 N ATOM 1667 CA LEU A 103 -2.360 2.249 3.445 1.00 73.01 C ATOM 1668 C LEU A 103 -3.451 3.124 2.798 1.00 12.24 C ATOM 1669 O LEU A 103 -3.157 4.219 2.335 1.00 1.31 O ATOM 1670 CB LEU A 103 -1.518 1.481 2.380 1.00 63.13 C ATOM 1671 CG LEU A 103 -0.670 2.351 1.378 1.00 41.25 C ATOM 1672 CD1 LEU A 103 0.202 3.403 2.109 1.00 74.54 C ATOM 1673 CD2 LEU A 103 0.202 1.453 0.467 1.00 21.51 C ATOM 0 H LEU A 103 -2.919 0.347 4.149 1.00 75.45 H new ATOM 0 HA LEU A 103 -1.672 2.913 3.969 1.00 73.01 H new ATOM 0 HB2 LEU A 103 -0.838 0.810 2.905 1.00 63.13 H new ATOM 0 HB3 LEU A 103 -2.196 0.857 1.797 1.00 63.13 H new ATOM 0 HG LEU A 103 -1.377 2.897 0.753 1.00 41.25 H new ATOM 0 HD11 LEU A 103 0.768 3.978 1.377 1.00 74.54 H new ATOM 0 HD12 LEU A 103 -0.440 4.074 2.680 1.00 74.54 H new ATOM 0 HD13 LEU A 103 0.892 2.898 2.785 1.00 74.54 H new ATOM 0 HD21 LEU A 103 0.778 2.078 -0.216 1.00 21.51 H new ATOM 0 HD22 LEU A 103 0.883 0.864 1.081 1.00 21.51 H new ATOM 0 HD23 LEU A 103 -0.440 0.785 -0.107 1.00 21.51 H new ATOM 1685 N LEU A 104 -4.709 2.635 2.794 1.00 14.43 N ATOM 1686 CA LEU A 104 -5.880 3.424 2.364 1.00 52.11 C ATOM 1687 C LEU A 104 -6.149 4.557 3.387 1.00 15.02 C ATOM 1688 O LEU A 104 -6.408 5.700 3.001 1.00 11.32 O ATOM 1689 CB LEU A 104 -7.126 2.489 2.191 1.00 30.20 C ATOM 1690 CG LEU A 104 -8.330 3.024 1.339 1.00 1.02 C ATOM 1691 CD1 LEU A 104 -9.210 4.046 2.101 1.00 21.42 C ATOM 1692 CD2 LEU A 104 -7.820 3.587 -0.015 1.00 4.14 C ATOM 0 H LEU A 104 -4.940 1.686 3.088 1.00 14.43 H new ATOM 0 HA LEU A 104 -5.679 3.884 1.397 1.00 52.11 H new ATOM 0 HB2 LEU A 104 -6.785 1.557 1.741 1.00 30.20 H new ATOM 0 HB3 LEU A 104 -7.502 2.244 3.185 1.00 30.20 H new ATOM 0 HG LEU A 104 -8.986 2.177 1.137 1.00 1.02 H new ATOM 0 HD11 LEU A 104 -10.024 4.377 1.456 1.00 21.42 H new ATOM 0 HD12 LEU A 104 -9.622 3.577 2.994 1.00 21.42 H new ATOM 0 HD13 LEU A 104 -8.604 4.905 2.389 1.00 21.42 H new ATOM 0 HD21 LEU A 104 -8.665 3.955 -0.597 1.00 4.14 H new ATOM 0 HD22 LEU A 104 -7.123 4.404 0.170 1.00 4.14 H new ATOM 0 HD23 LEU A 104 -7.314 2.797 -0.570 1.00 4.14 H new ATOM 1704 N ILE A 105 -6.088 4.209 4.699 1.00 40.31 N ATOM 1705 CA ILE A 105 -6.241 5.185 5.812 1.00 32.34 C ATOM 1706 C ILE A 105 -5.111 6.245 5.764 1.00 24.21 C ATOM 1707 O ILE A 105 -5.340 7.423 6.058 1.00 20.32 O ATOM 1708 CB ILE A 105 -6.284 4.462 7.228 1.00 0.50 C ATOM 1709 CG1 ILE A 105 -7.571 3.578 7.355 1.00 2.11 C ATOM 1710 CG2 ILE A 105 -6.195 5.470 8.404 1.00 12.24 C ATOM 1711 CD1 ILE A 105 -7.717 2.835 8.676 1.00 4.22 C ATOM 0 H ILE A 105 -5.933 3.251 5.014 1.00 40.31 H new ATOM 0 HA ILE A 105 -7.197 5.692 5.680 1.00 32.34 H new ATOM 0 HB ILE A 105 -5.406 3.819 7.289 1.00 0.50 H new ATOM 0 HG12 ILE A 105 -8.445 4.214 7.215 1.00 2.11 H new ATOM 0 HG13 ILE A 105 -7.574 2.850 6.544 1.00 2.11 H new ATOM 0 HG21 ILE A 105 -6.228 4.929 9.350 1.00 12.24 H new ATOM 0 HG22 ILE A 105 -5.260 6.026 8.337 1.00 12.24 H new ATOM 0 HG23 ILE A 105 -7.034 6.164 8.353 1.00 12.24 H new ATOM 0 HD11 ILE A 105 -8.638 2.252 8.666 1.00 4.22 H new ATOM 0 HD12 ILE A 105 -6.867 2.167 8.814 1.00 4.22 H new ATOM 0 HD13 ILE A 105 -7.751 3.553 9.495 1.00 4.22 H new ATOM 1723 N ILE A 106 -3.898 5.805 5.372 1.00 20.22 N ATOM 1724 CA ILE A 106 -2.745 6.700 5.166 1.00 35.20 C ATOM 1725 C ILE A 106 -3.039 7.704 4.027 1.00 40.35 C ATOM 1726 O ILE A 106 -3.090 8.924 4.260 1.00 64.41 O ATOM 1727 CB ILE A 106 -1.442 5.873 4.851 1.00 33.32 C ATOM 1728 CG1 ILE A 106 -1.079 4.960 6.061 1.00 40.03 C ATOM 1729 CG2 ILE A 106 -0.257 6.789 4.472 1.00 34.10 C ATOM 1730 CD1 ILE A 106 0.031 3.975 5.784 1.00 32.51 C ATOM 0 H ILE A 106 -3.692 4.823 5.190 1.00 20.22 H new ATOM 0 HA ILE A 106 -2.577 7.258 6.087 1.00 35.20 H new ATOM 0 HB ILE A 106 -1.646 5.243 3.985 1.00 33.32 H new ATOM 0 HG12 ILE A 106 -0.789 5.590 6.902 1.00 40.03 H new ATOM 0 HG13 ILE A 106 -1.969 4.410 6.366 1.00 40.03 H new ATOM 0 HG21 ILE A 106 0.622 6.179 4.262 1.00 34.10 H new ATOM 0 HG22 ILE A 106 -0.515 7.370 3.587 1.00 34.10 H new ATOM 0 HG23 ILE A 106 -0.041 7.465 5.299 1.00 34.10 H new ATOM 0 HD11 ILE A 106 0.220 3.380 6.677 1.00 32.51 H new ATOM 0 HD12 ILE A 106 -0.262 3.318 4.965 1.00 32.51 H new ATOM 0 HD13 ILE A 106 0.937 4.515 5.509 1.00 32.51 H new ATOM 1742 N ILE A 107 -3.321 7.166 2.818 1.00 73.40 N ATOM 1743 CA ILE A 107 -3.533 7.986 1.595 1.00 30.32 C ATOM 1744 C ILE A 107 -5.003 8.468 1.483 1.00 54.11 C ATOM 1745 O ILE A 107 -5.479 8.787 0.379 1.00 24.43 O ATOM 1746 CB ILE A 107 -3.080 7.203 0.286 1.00 65.01 C ATOM 1747 CG1 ILE A 107 -4.043 6.014 -0.054 1.00 23.13 C ATOM 1748 CG2 ILE A 107 -1.613 6.703 0.425 1.00 23.42 C ATOM 1749 CD1 ILE A 107 -3.680 5.211 -1.305 1.00 4.30 C ATOM 0 H ILE A 107 -3.408 6.162 2.660 1.00 73.40 H new ATOM 0 HA ILE A 107 -2.904 8.872 1.683 1.00 30.32 H new ATOM 0 HB ILE A 107 -3.132 7.906 -0.545 1.00 65.01 H new ATOM 0 HG12 ILE A 107 -4.069 5.335 0.798 1.00 23.13 H new ATOM 0 HG13 ILE A 107 -5.051 6.409 -0.177 1.00 23.13 H new ATOM 0 HG21 ILE A 107 -1.323 6.170 -0.481 1.00 23.42 H new ATOM 0 HG22 ILE A 107 -0.950 7.556 0.572 1.00 23.42 H new ATOM 0 HG23 ILE A 107 -1.537 6.032 1.281 1.00 23.42 H new ATOM 0 HD11 ILE A 107 -4.409 4.413 -1.450 1.00 4.30 H new ATOM 0 HD12 ILE A 107 -3.685 5.869 -2.174 1.00 4.30 H new ATOM 0 HD13 ILE A 107 -2.687 4.778 -1.184 1.00 4.30 H new ATOM 1761 N SER A 108 -5.700 8.539 2.646 1.00 73.45 N ATOM 1762 CA SER A 108 -7.090 9.015 2.764 1.00 4.41 C ATOM 1763 C SER A 108 -7.271 10.372 2.042 1.00 74.22 C ATOM 1764 O SER A 108 -6.722 11.400 2.466 1.00 62.33 O ATOM 1765 CB SER A 108 -7.470 9.120 4.265 1.00 75.22 C ATOM 1766 OG SER A 108 -6.497 9.865 4.994 1.00 71.42 O ATOM 0 H SER A 108 -5.298 8.260 3.541 1.00 73.45 H new ATOM 0 HA SER A 108 -7.757 8.301 2.281 1.00 4.41 H new ATOM 0 HB2 SER A 108 -8.445 9.597 4.363 1.00 75.22 H new ATOM 0 HB3 SER A 108 -7.560 8.121 4.691 1.00 75.22 H new ATOM 0 HG SER A 108 -5.929 9.250 5.504 1.00 71.42 H new ATOM 1772 N ARG A 109 -7.980 10.302 0.894 1.00 12.20 N ATOM 1773 CA ARG A 109 -8.302 11.431 0.000 1.00 2.10 C ATOM 1774 C ARG A 109 -8.611 12.747 0.770 1.00 34.23 C ATOM 1775 O ARG A 109 -9.575 12.805 1.559 1.00 41.12 O ATOM 1776 CB ARG A 109 -9.478 11.054 -0.960 1.00 54.22 C ATOM 1777 CG ARG A 109 -10.852 10.695 -0.316 1.00 34.31 C ATOM 1778 CD ARG A 109 -10.847 9.404 0.524 1.00 23.45 C ATOM 1779 NE ARG A 109 -10.330 8.250 -0.229 1.00 21.43 N ATOM 1780 CZ ARG A 109 -10.557 6.955 0.073 1.00 75.11 C ATOM 1781 NH1 ARG A 109 -11.317 6.606 1.124 1.00 72.32 N ATOM 1782 NH2 ARG A 109 -10.039 6.001 -0.702 1.00 12.40 N ATOM 0 H ARG A 109 -8.359 9.419 0.552 1.00 12.20 H new ATOM 0 HA ARG A 109 -7.409 11.626 -0.594 1.00 2.10 H new ATOM 0 HB2 ARG A 109 -9.635 11.890 -1.642 1.00 54.22 H new ATOM 0 HB3 ARG A 109 -9.159 10.205 -1.564 1.00 54.22 H new ATOM 0 HG2 ARG A 109 -11.170 11.524 0.317 1.00 34.31 H new ATOM 0 HG3 ARG A 109 -11.595 10.595 -1.107 1.00 34.31 H new ATOM 0 HD2 ARG A 109 -10.238 9.556 1.415 1.00 23.45 H new ATOM 0 HD3 ARG A 109 -11.861 9.190 0.863 1.00 23.45 H new ATOM 0 HE ARG A 109 -9.752 8.446 -1.047 1.00 21.43 H new ATOM 0 HH11 ARG A 109 -11.736 7.326 1.712 1.00 72.32 H new ATOM 0 HH12 ARG A 109 -11.475 5.620 1.334 1.00 72.32 H new ATOM 0 HH21 ARG A 109 -9.477 6.253 -1.515 1.00 12.40 H new ATOM 0 HH22 ARG A 109 -10.205 5.019 -0.482 1.00 12.40 H new ATOM 1796 N PRO A 110 -7.737 13.797 0.615 1.00 51.52 N ATOM 1797 CA PRO A 110 -7.891 15.087 1.327 1.00 22.25 C ATOM 1798 C PRO A 110 -9.032 15.933 0.729 1.00 14.14 C ATOM 1799 O PRO A 110 -9.260 15.909 -0.489 1.00 63.11 O ATOM 1800 CB PRO A 110 -6.501 15.772 1.143 1.00 3.23 C ATOM 1801 CG PRO A 110 -5.605 14.738 0.508 1.00 51.50 C ATOM 1802 CD PRO A 110 -6.526 13.823 -0.251 1.00 62.50 C ATOM 0 HA PRO A 110 -8.161 14.962 2.376 1.00 22.25 H new ATOM 0 HB2 PRO A 110 -6.583 16.657 0.512 1.00 3.23 H new ATOM 0 HB3 PRO A 110 -6.099 16.100 2.101 1.00 3.23 H new ATOM 0 HG2 PRO A 110 -4.878 15.204 -0.157 1.00 51.50 H new ATOM 0 HG3 PRO A 110 -5.041 14.190 1.263 1.00 51.50 H new ATOM 0 HD2 PRO A 110 -6.747 14.205 -1.248 1.00 62.50 H new ATOM 0 HD3 PRO A 110 -6.097 12.829 -0.379 1.00 62.50 H new ATOM 1810 N ALA A 111 -9.734 16.672 1.588 1.00 35.10 N ATOM 1811 CA ALA A 111 -10.890 17.484 1.180 1.00 33.55 C ATOM 1812 C ALA A 111 -10.487 18.944 0.899 1.00 51.50 C ATOM 1813 O ALA A 111 -9.333 19.346 1.120 1.00 35.23 O ATOM 1814 CB ALA A 111 -11.970 17.401 2.263 1.00 51.14 C ATOM 0 H ALA A 111 -9.522 16.728 2.584 1.00 35.10 H new ATOM 0 HA ALA A 111 -11.289 17.087 0.247 1.00 33.55 H new ATOM 0 HB1 ALA A 111 -12.830 18.001 1.966 1.00 51.14 H new ATOM 0 HB2 ALA A 111 -12.278 16.363 2.390 1.00 51.14 H new ATOM 0 HB3 ALA A 111 -11.571 17.779 3.204 1.00 51.14 H new ATOM 1820 N ARG A 112 -11.465 19.720 0.406 1.00 22.21 N ATOM 1821 CA ARG A 112 -11.307 21.143 0.071 1.00 14.21 C ATOM 1822 C ARG A 112 -11.346 21.995 1.366 1.00 71.21 C ATOM 1823 O ARG A 112 -10.303 22.566 1.758 1.00 10.21 O ATOM 1824 CB ARG A 112 -12.438 21.575 -0.911 1.00 25.42 C ATOM 1825 CG ARG A 112 -12.464 20.792 -2.244 1.00 20.40 C ATOM 1826 CD ARG A 112 -11.211 21.042 -3.107 1.00 5.43 C ATOM 1827 NE ARG A 112 -11.232 20.270 -4.363 1.00 22.14 N ATOM 1828 CZ ARG A 112 -11.572 20.755 -5.571 1.00 20.33 C ATOM 1829 NH1 ARG A 112 -11.927 22.030 -5.721 1.00 61.14 N ATOM 1830 NH2 ARG A 112 -11.552 19.954 -6.628 1.00 22.05 N ATOM 1831 OXT ARG A 112 -12.416 22.032 2.022 1.00 38.55 O ATOM 0 H ARG A 112 -12.405 19.369 0.226 1.00 22.21 H new ATOM 0 HA ARG A 112 -10.344 21.301 -0.415 1.00 14.21 H new ATOM 0 HB2 ARG A 112 -13.400 21.452 -0.414 1.00 25.42 H new ATOM 0 HB3 ARG A 112 -12.325 22.637 -1.130 1.00 25.42 H new ATOM 0 HG2 ARG A 112 -12.547 19.726 -2.033 1.00 20.40 H new ATOM 0 HG3 ARG A 112 -13.352 21.075 -2.809 1.00 20.40 H new ATOM 0 HD2 ARG A 112 -11.138 22.105 -3.338 1.00 5.43 H new ATOM 0 HD3 ARG A 112 -10.321 20.778 -2.536 1.00 5.43 H new ATOM 0 HE ARG A 112 -10.967 19.286 -4.312 1.00 22.14 H new ATOM 0 HH11 ARG A 112 -11.944 22.653 -4.914 1.00 61.14 H new ATOM 0 HH12 ARG A 112 -12.182 22.383 -6.643 1.00 61.14 H new ATOM 0 HH21 ARG A 112 -11.280 18.977 -6.522 1.00 22.05 H new ATOM 0 HH22 ARG A 112 -11.809 20.315 -7.547 1.00 22.05 H new TER 1845 ARG A 112