USER MOD reduce.3.24.130724 H: found=0, std=0, add=544, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 546 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 78 THR OG1 : rot 180:sc= 0.57 USER MOD Set 1.2: A 83 THR OG1 : rot -97:sc= 0.528 USER MOD Set 2.1: A 36 SER OG : rot -15:sc= 0.988 USER MOD Set 2.2: A 99 TYR OH : rot 167:sc= -0.0725 USER MOD Single : A 28 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ 170:sc= -0.0103 (180deg=-0.146) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 79:sc= 1.1 USER MOD Single : A 52 ASN : amide:sc= 0 K(o=0,f=-0.87) USER MOD Single : A 54 MET CE :methyl -117:sc= -0.653 (180deg=-0.891) USER MOD Single : A 56 THR OG1 : rot 45:sc= -0.168 USER MOD Single : A 57 SER OG : rot -29:sc= 0.0457 USER MOD Single : A 58 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 THR OG1 : rot 24:sc= 1.4 USER MOD Single : A 62 TYR OH : rot -111:sc= 0.0483 USER MOD Single : A 63 SER OG : rot 72:sc= 1.16 USER MOD Single : A 67 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0204) USER MOD Single : A 68 THR OG1 : rot 180:sc= -0.0213 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 76 ASN : amide:sc= -0.101 K(o=-0.1,f=-1.9!) USER MOD Single : A 79 THR OG1 : rot -32:sc= 1.25 USER MOD Single : A 81 GLN : amide:sc= 0.859 K(o=0.86,f=-2.4!) USER MOD Single : A 85 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 87 LYS NZ :NH3+ 157:sc= 1.33 (180deg=0.715) USER MOD Single : A 88 THR OG1 : rot -179:sc= 1.22 USER MOD Single : A 100 MET CE :methyl -172:sc= -0.239 (180deg=-0.383) USER MOD Single : A 104 THR OG1 : rot 48:sc= 0.869 USER MOD Single : A 105 SER OG : rot -91:sc= 1.14 USER MOD Single : A 106 ASN : amide:sc= -0.306 X(o=-0.31,f=-0.56) USER MOD ----------------------------------------------------------------- ATOM 32 N ASP A 25 0.580 -6.371 0.470 1.00 0.00 N ATOM 33 CA ASP A 25 1.988 -6.169 0.813 1.00 0.00 C ATOM 34 C ASP A 25 2.196 -4.714 1.201 1.00 0.00 C ATOM 35 O ASP A 25 3.270 -4.147 1.022 1.00 0.00 O ATOM 36 CB ASP A 25 2.910 -6.551 -0.360 1.00 0.00 C ATOM 37 CG ASP A 25 4.379 -6.588 0.028 1.00 0.00 C ATOM 38 OD1 ASP A 25 4.738 -7.354 0.947 1.00 0.00 O ATOM 39 OD2 ASP A 25 5.185 -5.864 -0.596 1.00 0.00 O ATOM 0 HA ASP A 25 2.245 -6.816 1.652 1.00 0.00 H new ATOM 0 HB2 ASP A 25 2.616 -7.528 -0.743 1.00 0.00 H new ATOM 0 HB3 ASP A 25 2.772 -5.836 -1.171 1.00 0.00 H new ATOM 44 N GLY A 26 1.154 -4.122 1.761 1.00 0.00 N ATOM 45 CA GLY A 26 1.191 -2.718 2.090 1.00 0.00 C ATOM 46 C GLY A 26 0.689 -1.864 0.950 1.00 0.00 C ATOM 47 O GLY A 26 1.136 -2.006 -0.190 1.00 0.00 O ATOM 0 H GLY A 26 0.280 -4.593 1.994 1.00 0.00 H new ATOM 0 HA2 GLY A 26 0.583 -2.536 2.976 1.00 0.00 H new ATOM 0 HA3 GLY A 26 2.212 -2.429 2.339 1.00 0.00 H new ATOM 51 N VAL A 27 -0.250 -0.988 1.256 1.00 0.00 N ATOM 52 CA VAL A 27 -0.799 -0.087 0.257 1.00 0.00 C ATOM 53 C VAL A 27 0.252 0.929 -0.144 1.00 0.00 C ATOM 54 O VAL A 27 1.026 1.385 0.692 1.00 0.00 O ATOM 55 CB VAL A 27 -2.053 0.654 0.768 1.00 0.00 C ATOM 56 CG1 VAL A 27 -3.255 -0.270 0.780 1.00 0.00 C ATOM 57 CG2 VAL A 27 -1.811 1.229 2.155 1.00 0.00 C ATOM 0 H VAL A 27 -0.649 -0.880 2.188 1.00 0.00 H new ATOM 0 HA VAL A 27 -1.094 -0.691 -0.601 1.00 0.00 H new ATOM 0 HB VAL A 27 -2.260 1.478 0.086 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -4.128 0.273 1.144 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -3.447 -0.630 -0.231 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -3.056 -1.118 1.436 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -2.708 1.747 2.496 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -1.573 0.421 2.847 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -0.978 1.931 2.117 1.00 0.00 H new ATOM 67 N GLN A 28 0.314 1.280 -1.414 1.00 0.00 N ATOM 68 CA GLN A 28 1.325 2.227 -1.836 1.00 0.00 C ATOM 69 C GLN A 28 0.720 3.413 -2.565 1.00 0.00 C ATOM 70 O GLN A 28 -0.347 3.315 -3.163 1.00 0.00 O ATOM 71 CB GLN A 28 2.384 1.550 -2.695 1.00 0.00 C ATOM 72 CG GLN A 28 1.932 1.174 -4.091 1.00 0.00 C ATOM 73 CD GLN A 28 3.117 0.997 -5.009 1.00 0.00 C ATOM 74 OE1 GLN A 28 3.646 -0.105 -5.175 1.00 0.00 O ATOM 75 NE2 GLN A 28 3.567 2.100 -5.583 1.00 0.00 N ATOM 0 H GLN A 28 -0.303 0.936 -2.150 1.00 0.00 H new ATOM 0 HA GLN A 28 1.805 2.607 -0.934 1.00 0.00 H new ATOM 0 HB2 GLN A 28 3.245 2.214 -2.775 1.00 0.00 H new ATOM 0 HB3 GLN A 28 2.723 0.649 -2.184 1.00 0.00 H new ATOM 0 HG2 GLN A 28 1.354 0.251 -4.054 1.00 0.00 H new ATOM 0 HG3 GLN A 28 1.273 1.948 -4.485 1.00 0.00 H new ATOM 0 HE21 GLN A 28 3.097 2.990 -5.417 1.00 0.00 H new ATOM 0 HE22 GLN A 28 4.384 2.061 -6.192 1.00 0.00 H new ATOM 84 N ILE A 29 1.417 4.534 -2.493 1.00 0.00 N ATOM 85 CA ILE A 29 0.975 5.772 -3.109 1.00 0.00 C ATOM 86 C ILE A 29 1.224 5.748 -4.613 1.00 0.00 C ATOM 87 O ILE A 29 2.321 5.412 -5.068 1.00 0.00 O ATOM 88 CB ILE A 29 1.718 6.984 -2.498 1.00 0.00 C ATOM 89 CG1 ILE A 29 1.617 6.959 -0.970 1.00 0.00 C ATOM 90 CG2 ILE A 29 1.166 8.293 -3.051 1.00 0.00 C ATOM 91 CD1 ILE A 29 2.475 8.004 -0.287 1.00 0.00 C ATOM 0 H ILE A 29 2.309 4.611 -2.004 1.00 0.00 H new ATOM 0 HA ILE A 29 -0.094 5.868 -2.920 1.00 0.00 H new ATOM 0 HB ILE A 29 2.770 6.916 -2.776 1.00 0.00 H new ATOM 0 HG12 ILE A 29 0.577 7.110 -0.681 1.00 0.00 H new ATOM 0 HG13 ILE A 29 1.908 5.972 -0.611 1.00 0.00 H new ATOM 0 HG21 ILE A 29 1.704 9.131 -2.607 1.00 0.00 H new ATOM 0 HG22 ILE A 29 1.293 8.313 -4.133 1.00 0.00 H new ATOM 0 HG23 ILE A 29 0.106 8.372 -2.808 1.00 0.00 H new ATOM 0 HD11 ILE A 29 2.352 7.926 0.793 1.00 0.00 H new ATOM 0 HD12 ILE A 29 3.521 7.842 -0.546 1.00 0.00 H new ATOM 0 HD13 ILE A 29 2.170 8.997 -0.616 1.00 0.00 H new ATOM 103 N ASP A 30 0.203 6.096 -5.376 1.00 0.00 N ATOM 104 CA ASP A 30 0.326 6.223 -6.819 1.00 0.00 C ATOM 105 C ASP A 30 0.727 7.642 -7.190 1.00 0.00 C ATOM 106 O ASP A 30 1.687 7.847 -7.937 1.00 0.00 O ATOM 107 CB ASP A 30 -0.981 5.849 -7.519 1.00 0.00 C ATOM 108 CG ASP A 30 -1.115 4.358 -7.746 1.00 0.00 C ATOM 109 OD1 ASP A 30 -1.615 3.652 -6.847 1.00 0.00 O ATOM 110 OD2 ASP A 30 -0.733 3.883 -8.839 1.00 0.00 O ATOM 0 H ASP A 30 -0.730 6.298 -5.016 1.00 0.00 H new ATOM 0 HA ASP A 30 1.101 5.533 -7.153 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -1.822 6.198 -6.920 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -1.036 6.365 -8.478 1.00 0.00 H new ATOM 115 N SER A 31 0.006 8.625 -6.653 1.00 0.00 N ATOM 116 CA SER A 31 0.288 10.023 -6.948 1.00 0.00 C ATOM 117 C SER A 31 -0.349 10.938 -5.908 1.00 0.00 C ATOM 118 O SER A 31 -1.174 10.499 -5.110 1.00 0.00 O ATOM 119 CB SER A 31 -0.230 10.373 -8.346 1.00 0.00 C ATOM 120 OG SER A 31 -1.582 9.975 -8.501 1.00 0.00 O ATOM 0 H SER A 31 -0.775 8.477 -6.014 1.00 0.00 H new ATOM 0 HA SER A 31 1.367 10.172 -6.916 1.00 0.00 H new ATOM 0 HB2 SER A 31 -0.142 11.447 -8.512 1.00 0.00 H new ATOM 0 HB3 SER A 31 0.386 9.882 -9.099 1.00 0.00 H new ATOM 0 HG SER A 31 -1.891 10.210 -9.401 1.00 0.00 H new ATOM 126 N VAL A 32 0.055 12.198 -5.909 1.00 0.00 N ATOM 127 CA VAL A 32 -0.543 13.207 -5.052 1.00 0.00 C ATOM 128 C VAL A 32 -1.339 14.192 -5.908 1.00 0.00 C ATOM 129 O VAL A 32 -0.911 14.545 -7.010 1.00 0.00 O ATOM 130 CB VAL A 32 0.534 13.978 -4.252 1.00 0.00 C ATOM 131 CG1 VAL A 32 -0.103 14.973 -3.292 1.00 0.00 C ATOM 132 CG2 VAL A 32 1.443 13.018 -3.500 1.00 0.00 C ATOM 0 H VAL A 32 0.806 12.549 -6.503 1.00 0.00 H new ATOM 0 HA VAL A 32 -1.201 12.705 -4.343 1.00 0.00 H new ATOM 0 HB VAL A 32 1.140 14.536 -4.965 1.00 0.00 H new ATOM 0 HG11 VAL A 32 0.678 15.500 -2.743 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -0.699 15.691 -3.855 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -0.744 14.441 -2.589 1.00 0.00 H new ATOM 0 HG21 VAL A 32 2.191 13.584 -2.946 1.00 0.00 H new ATOM 0 HG22 VAL A 32 0.849 12.424 -2.805 1.00 0.00 H new ATOM 0 HG23 VAL A 32 1.941 12.357 -4.210 1.00 0.00 H new ATOM 142 N VAL A 33 -2.498 14.611 -5.414 1.00 0.00 N ATOM 143 CA VAL A 33 -3.341 15.554 -6.136 1.00 0.00 C ATOM 144 C VAL A 33 -2.592 16.878 -6.358 1.00 0.00 C ATOM 145 O VAL A 33 -1.847 17.326 -5.486 1.00 0.00 O ATOM 146 CB VAL A 33 -4.670 15.807 -5.372 1.00 0.00 C ATOM 147 CG1 VAL A 33 -4.439 16.590 -4.086 1.00 0.00 C ATOM 148 CG2 VAL A 33 -5.688 16.511 -6.254 1.00 0.00 C ATOM 0 H VAL A 33 -2.875 14.312 -4.515 1.00 0.00 H new ATOM 0 HA VAL A 33 -3.583 15.121 -7.106 1.00 0.00 H new ATOM 0 HB VAL A 33 -5.074 14.832 -5.099 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -5.391 16.747 -3.580 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -3.770 16.029 -3.434 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -3.990 17.555 -4.323 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -6.607 16.674 -5.691 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -5.286 17.471 -6.578 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -5.902 15.894 -7.127 1.00 0.00 H new ATOM 158 N PRO A 34 -2.742 17.496 -7.546 1.00 0.00 N ATOM 159 CA PRO A 34 -2.144 18.805 -7.847 1.00 0.00 C ATOM 160 C PRO A 34 -2.804 19.936 -7.058 1.00 0.00 C ATOM 161 O PRO A 34 -3.449 20.822 -7.629 1.00 0.00 O ATOM 162 CB PRO A 34 -2.391 18.988 -9.356 1.00 0.00 C ATOM 163 CG PRO A 34 -2.813 17.647 -9.858 1.00 0.00 C ATOM 164 CD PRO A 34 -3.471 16.960 -8.701 1.00 0.00 C ATOM 0 HA PRO A 34 -1.089 18.838 -7.573 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -3.162 19.736 -9.539 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -1.489 19.330 -9.862 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -3.502 17.744 -10.697 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -1.955 17.076 -10.214 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -4.536 17.187 -8.648 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -3.380 15.876 -8.769 1.00 0.00 H new ATOM 172 N GLY A 35 -2.643 19.892 -5.745 1.00 0.00 N ATOM 173 CA GLY A 35 -3.219 20.895 -4.878 1.00 0.00 C ATOM 174 C GLY A 35 -3.201 20.450 -3.435 1.00 0.00 C ATOM 175 O GLY A 35 -2.559 19.448 -3.115 1.00 0.00 O ATOM 0 H GLY A 35 -2.115 19.167 -5.259 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -2.665 21.828 -4.980 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -4.245 21.098 -5.185 1.00 0.00 H new ATOM 179 N SER A 36 -3.902 21.191 -2.575 1.00 0.00 N ATOM 180 CA SER A 36 -4.000 20.891 -1.140 1.00 0.00 C ATOM 181 C SER A 36 -2.605 20.813 -0.481 1.00 0.00 C ATOM 182 O SER A 36 -1.585 21.051 -1.138 1.00 0.00 O ATOM 183 CB SER A 36 -4.808 19.592 -0.921 1.00 0.00 C ATOM 184 OG SER A 36 -4.091 18.431 -1.301 1.00 0.00 O ATOM 0 H SER A 36 -4.422 22.023 -2.854 1.00 0.00 H new ATOM 0 HA SER A 36 -4.532 21.709 -0.654 1.00 0.00 H new ATOM 0 HB2 SER A 36 -5.086 19.515 0.130 1.00 0.00 H new ATOM 0 HB3 SER A 36 -5.735 19.645 -1.492 1.00 0.00 H new ATOM 0 HG SER A 36 -3.318 18.688 -1.846 1.00 0.00 H new ATOM 190 N PRO A 37 -2.528 20.555 0.841 1.00 0.00 N ATOM 191 CA PRO A 37 -1.254 20.246 1.499 1.00 0.00 C ATOM 192 C PRO A 37 -0.761 18.841 1.143 1.00 0.00 C ATOM 193 O PRO A 37 -1.146 18.290 0.113 1.00 0.00 O ATOM 194 CB PRO A 37 -1.597 20.331 2.989 1.00 0.00 C ATOM 195 CG PRO A 37 -3.051 20.021 3.058 1.00 0.00 C ATOM 196 CD PRO A 37 -3.648 20.591 1.803 1.00 0.00 C ATOM 0 HA PRO A 37 -0.454 20.922 1.196 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -1.012 19.619 3.572 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -1.384 21.322 3.389 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -3.220 18.946 3.119 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -3.504 20.465 3.944 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -4.494 19.998 1.456 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -4.012 21.607 1.957 1.00 0.00 H new ATOM 204 N ALA A 38 0.126 18.295 1.980 1.00 0.00 N ATOM 205 CA ALA A 38 0.585 16.901 1.877 1.00 0.00 C ATOM 206 C ALA A 38 1.611 16.709 0.762 1.00 0.00 C ATOM 207 O ALA A 38 2.533 15.899 0.895 1.00 0.00 O ATOM 208 CB ALA A 38 -0.587 15.941 1.702 1.00 0.00 C ATOM 0 H ALA A 38 0.550 18.808 2.753 1.00 0.00 H new ATOM 0 HA ALA A 38 1.082 16.667 2.819 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -0.213 14.920 1.629 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -1.255 16.022 2.559 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -1.132 16.194 0.792 1.00 0.00 H new ATOM 214 N SER A 39 1.467 17.468 -0.313 1.00 0.00 N ATOM 215 CA SER A 39 2.365 17.366 -1.458 1.00 0.00 C ATOM 216 C SER A 39 3.787 17.790 -1.082 1.00 0.00 C ATOM 217 O SER A 39 4.750 17.420 -1.752 1.00 0.00 O ATOM 218 CB SER A 39 1.838 18.221 -2.614 1.00 0.00 C ATOM 219 OG SER A 39 2.653 18.093 -3.767 1.00 0.00 O ATOM 0 H SER A 39 0.732 18.167 -0.419 1.00 0.00 H new ATOM 0 HA SER A 39 2.400 16.324 -1.775 1.00 0.00 H new ATOM 0 HB2 SER A 39 0.817 17.922 -2.853 1.00 0.00 H new ATOM 0 HB3 SER A 39 1.801 19.266 -2.307 1.00 0.00 H new ATOM 0 HG SER A 39 2.290 18.649 -4.488 1.00 0.00 H new ATOM 225 N LYS A 40 3.911 18.561 -0.007 1.00 0.00 N ATOM 226 CA LYS A 40 5.219 18.998 0.471 1.00 0.00 C ATOM 227 C LYS A 40 5.679 18.124 1.632 1.00 0.00 C ATOM 228 O LYS A 40 6.762 18.321 2.181 1.00 0.00 O ATOM 229 CB LYS A 40 5.171 20.460 0.921 1.00 0.00 C ATOM 230 CG LYS A 40 4.743 21.429 -0.165 1.00 0.00 C ATOM 231 CD LYS A 40 4.761 22.861 0.345 1.00 0.00 C ATOM 232 CE LYS A 40 4.324 23.848 -0.725 1.00 0.00 C ATOM 233 NZ LYS A 40 2.915 23.627 -1.154 1.00 0.00 N ATOM 0 H LYS A 40 3.124 18.896 0.549 1.00 0.00 H new ATOM 0 HA LYS A 40 5.927 18.905 -0.353 1.00 0.00 H new ATOM 0 HB2 LYS A 40 4.484 20.547 1.762 1.00 0.00 H new ATOM 0 HB3 LYS A 40 6.157 20.750 1.284 1.00 0.00 H new ATOM 0 HG2 LYS A 40 5.409 21.336 -1.023 1.00 0.00 H new ATOM 0 HG3 LYS A 40 3.741 21.175 -0.510 1.00 0.00 H new ATOM 0 HD2 LYS A 40 4.102 22.947 1.209 1.00 0.00 H new ATOM 0 HD3 LYS A 40 5.766 23.113 0.683 1.00 0.00 H new ATOM 0 HE2 LYS A 40 4.431 24.864 -0.345 1.00 0.00 H new ATOM 0 HE3 LYS A 40 4.983 23.760 -1.589 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 2.606 24.419 -1.754 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 2.851 22.739 -1.692 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 2.302 23.568 -0.316 1.00 0.00 H new ATOM 247 N VAL A 41 4.849 17.156 1.998 1.00 0.00 N ATOM 248 CA VAL A 41 5.129 16.307 3.148 1.00 0.00 C ATOM 249 C VAL A 41 5.588 14.922 2.703 1.00 0.00 C ATOM 250 O VAL A 41 6.650 14.451 3.112 1.00 0.00 O ATOM 251 CB VAL A 41 3.896 16.164 4.071 1.00 0.00 C ATOM 252 CG1 VAL A 41 4.233 15.346 5.310 1.00 0.00 C ATOM 253 CG2 VAL A 41 3.356 17.531 4.461 1.00 0.00 C ATOM 0 H VAL A 41 3.977 16.939 1.515 1.00 0.00 H new ATOM 0 HA VAL A 41 5.928 16.791 3.710 1.00 0.00 H new ATOM 0 HB VAL A 41 3.121 15.633 3.518 1.00 0.00 H new ATOM 0 HG11 VAL A 41 3.349 15.261 5.942 1.00 0.00 H new ATOM 0 HG12 VAL A 41 4.562 14.351 5.011 1.00 0.00 H new ATOM 0 HG13 VAL A 41 5.030 15.840 5.866 1.00 0.00 H new ATOM 0 HG21 VAL A 41 2.489 17.408 5.110 1.00 0.00 H new ATOM 0 HG22 VAL A 41 4.128 18.090 4.989 1.00 0.00 H new ATOM 0 HG23 VAL A 41 3.063 18.076 3.564 1.00 0.00 H new ATOM 263 N LEU A 42 4.793 14.278 1.857 1.00 0.00 N ATOM 264 CA LEU A 42 5.114 12.937 1.388 1.00 0.00 C ATOM 265 C LEU A 42 5.573 12.974 -0.061 1.00 0.00 C ATOM 266 O LEU A 42 5.364 13.960 -0.767 1.00 0.00 O ATOM 267 CB LEU A 42 3.914 11.988 1.515 1.00 0.00 C ATOM 268 CG LEU A 42 3.371 11.768 2.931 1.00 0.00 C ATOM 269 CD1 LEU A 42 2.418 12.884 3.329 1.00 0.00 C ATOM 270 CD2 LEU A 42 2.682 10.417 3.033 1.00 0.00 C ATOM 0 H LEU A 42 3.925 14.661 1.483 1.00 0.00 H new ATOM 0 HA LEU A 42 5.919 12.561 2.019 1.00 0.00 H new ATOM 0 HB2 LEU A 42 3.105 12.374 0.894 1.00 0.00 H new ATOM 0 HB3 LEU A 42 4.198 11.020 1.103 1.00 0.00 H new ATOM 0 HG LEU A 42 4.214 11.781 3.622 1.00 0.00 H new ATOM 0 HD11 LEU A 42 2.047 12.703 4.338 1.00 0.00 H new ATOM 0 HD12 LEU A 42 2.944 13.839 3.301 1.00 0.00 H new ATOM 0 HD13 LEU A 42 1.579 12.911 2.634 1.00 0.00 H new ATOM 0 HD21 LEU A 42 2.303 10.278 4.045 1.00 0.00 H new ATOM 0 HD22 LEU A 42 1.853 10.377 2.326 1.00 0.00 H new ATOM 0 HD23 LEU A 42 3.395 9.626 2.801 1.00 0.00 H new ATOM 282 N THR A 43 6.194 11.894 -0.495 1.00 0.00 N ATOM 283 CA THR A 43 6.631 11.767 -1.872 1.00 0.00 C ATOM 284 C THR A 43 5.770 10.733 -2.597 1.00 0.00 C ATOM 285 O THR A 43 5.632 9.599 -2.135 1.00 0.00 O ATOM 286 CB THR A 43 8.116 11.351 -1.947 1.00 0.00 C ATOM 287 OG1 THR A 43 8.918 12.265 -1.188 1.00 0.00 O ATOM 288 CG2 THR A 43 8.609 11.322 -3.388 1.00 0.00 C ATOM 0 H THR A 43 6.408 11.087 0.091 1.00 0.00 H new ATOM 0 HA THR A 43 6.521 12.738 -2.355 1.00 0.00 H new ATOM 0 HB THR A 43 8.205 10.347 -1.531 1.00 0.00 H new ATOM 0 HG1 THR A 43 9.859 11.994 -1.238 1.00 0.00 H new ATOM 0 HG21 THR A 43 9.658 11.026 -3.408 1.00 0.00 H new ATOM 0 HG22 THR A 43 8.019 10.606 -3.960 1.00 0.00 H new ATOM 0 HG23 THR A 43 8.504 12.313 -3.829 1.00 0.00 H new ATOM 296 N PRO A 44 5.148 11.121 -3.717 1.00 0.00 N ATOM 297 CA PRO A 44 4.338 10.206 -4.516 1.00 0.00 C ATOM 298 C PRO A 44 5.144 9.020 -5.012 1.00 0.00 C ATOM 299 O PRO A 44 6.265 9.174 -5.497 1.00 0.00 O ATOM 300 CB PRO A 44 3.859 11.052 -5.698 1.00 0.00 C ATOM 301 CG PRO A 44 4.724 12.267 -5.704 1.00 0.00 C ATOM 302 CD PRO A 44 5.178 12.476 -4.284 1.00 0.00 C ATOM 0 HA PRO A 44 3.520 9.785 -3.932 1.00 0.00 H new ATOM 0 HB2 PRO A 44 3.950 10.502 -6.635 1.00 0.00 H new ATOM 0 HB3 PRO A 44 2.808 11.320 -5.587 1.00 0.00 H new ATOM 0 HG2 PRO A 44 5.578 12.132 -6.368 1.00 0.00 H new ATOM 0 HG3 PRO A 44 4.172 13.134 -6.066 1.00 0.00 H new ATOM 0 HD2 PRO A 44 6.178 12.908 -4.241 1.00 0.00 H new ATOM 0 HD3 PRO A 44 4.515 13.152 -3.745 1.00 0.00 H new ATOM 310 N GLY A 45 4.568 7.840 -4.880 1.00 0.00 N ATOM 311 CA GLY A 45 5.245 6.637 -5.312 1.00 0.00 C ATOM 312 C GLY A 45 5.725 5.782 -4.158 1.00 0.00 C ATOM 313 O GLY A 45 6.035 4.605 -4.344 1.00 0.00 O ATOM 0 H GLY A 45 3.641 7.691 -4.481 1.00 0.00 H new ATOM 0 HA2 GLY A 45 4.570 6.051 -5.935 1.00 0.00 H new ATOM 0 HA3 GLY A 45 6.097 6.910 -5.934 1.00 0.00 H new ATOM 317 N LEU A 46 5.783 6.364 -2.968 1.00 0.00 N ATOM 318 CA LEU A 46 6.231 5.633 -1.787 1.00 0.00 C ATOM 319 C LEU A 46 5.179 4.620 -1.351 1.00 0.00 C ATOM 320 O LEU A 46 4.021 4.696 -1.762 1.00 0.00 O ATOM 321 CB LEU A 46 6.527 6.593 -0.629 1.00 0.00 C ATOM 322 CG LEU A 46 7.605 7.647 -0.897 1.00 0.00 C ATOM 323 CD1 LEU A 46 7.852 8.482 0.350 1.00 0.00 C ATOM 324 CD2 LEU A 46 8.896 6.991 -1.356 1.00 0.00 C ATOM 0 H LEU A 46 5.527 7.336 -2.793 1.00 0.00 H new ATOM 0 HA LEU A 46 7.148 5.106 -2.052 1.00 0.00 H new ATOM 0 HB2 LEU A 46 5.603 7.105 -0.361 1.00 0.00 H new ATOM 0 HB3 LEU A 46 6.828 6.005 0.238 1.00 0.00 H new ATOM 0 HG LEU A 46 7.251 8.303 -1.692 1.00 0.00 H new ATOM 0 HD11 LEU A 46 8.621 9.226 0.143 1.00 0.00 H new ATOM 0 HD12 LEU A 46 6.929 8.984 0.640 1.00 0.00 H new ATOM 0 HD13 LEU A 46 8.183 7.834 1.162 1.00 0.00 H new ATOM 0 HD21 LEU A 46 9.648 7.758 -1.541 1.00 0.00 H new ATOM 0 HD22 LEU A 46 9.253 6.311 -0.583 1.00 0.00 H new ATOM 0 HD23 LEU A 46 8.714 6.433 -2.274 1.00 0.00 H new ATOM 336 N VAL A 47 5.584 3.683 -0.510 1.00 0.00 N ATOM 337 CA VAL A 47 4.673 2.660 -0.016 1.00 0.00 C ATOM 338 C VAL A 47 4.334 2.928 1.455 1.00 0.00 C ATOM 339 O VAL A 47 5.199 3.358 2.218 1.00 0.00 O ATOM 340 CB VAL A 47 5.285 1.242 -0.142 1.00 0.00 C ATOM 341 CG1 VAL A 47 4.261 0.175 0.209 1.00 0.00 C ATOM 342 CG2 VAL A 47 5.829 1.009 -1.540 1.00 0.00 C ATOM 0 H VAL A 47 6.537 3.608 -0.154 1.00 0.00 H new ATOM 0 HA VAL A 47 3.770 2.703 -0.625 1.00 0.00 H new ATOM 0 HB VAL A 47 6.111 1.173 0.566 1.00 0.00 H new ATOM 0 HG11 VAL A 47 4.715 -0.811 0.113 1.00 0.00 H new ATOM 0 HG12 VAL A 47 3.922 0.320 1.235 1.00 0.00 H new ATOM 0 HG13 VAL A 47 3.410 0.250 -0.468 1.00 0.00 H new ATOM 0 HG21 VAL A 47 6.253 0.007 -1.603 1.00 0.00 H new ATOM 0 HG22 VAL A 47 5.022 1.108 -2.266 1.00 0.00 H new ATOM 0 HG23 VAL A 47 6.603 1.745 -1.756 1.00 0.00 H new ATOM 352 N ILE A 48 3.091 2.672 1.841 1.00 0.00 N ATOM 353 CA ILE A 48 2.642 2.877 3.218 1.00 0.00 C ATOM 354 C ILE A 48 2.981 1.654 4.056 1.00 0.00 C ATOM 355 O ILE A 48 2.621 0.528 3.703 1.00 0.00 O ATOM 356 CB ILE A 48 1.114 3.107 3.282 1.00 0.00 C ATOM 357 CG1 ILE A 48 0.694 4.290 2.397 1.00 0.00 C ATOM 358 CG2 ILE A 48 0.666 3.335 4.720 1.00 0.00 C ATOM 359 CD1 ILE A 48 0.982 5.646 3.006 1.00 0.00 C ATOM 0 H ILE A 48 2.367 2.318 1.215 1.00 0.00 H new ATOM 0 HA ILE A 48 3.150 3.760 3.605 1.00 0.00 H new ATOM 0 HB ILE A 48 0.625 2.210 2.902 1.00 0.00 H new ATOM 0 HG12 ILE A 48 1.210 4.216 1.440 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -0.374 4.215 2.190 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -0.412 3.495 4.744 1.00 0.00 H new ATOM 0 HG22 ILE A 48 0.917 2.462 5.322 1.00 0.00 H new ATOM 0 HG23 ILE A 48 1.172 4.212 5.124 1.00 0.00 H new ATOM 0 HD11 ILE A 48 0.657 6.429 2.321 1.00 0.00 H new ATOM 0 HD12 ILE A 48 0.444 5.743 3.949 1.00 0.00 H new ATOM 0 HD13 ILE A 48 2.052 5.744 3.187 1.00 0.00 H new ATOM 371 N GLU A 49 3.683 1.872 5.153 1.00 0.00 N ATOM 372 CA GLU A 49 3.992 0.795 6.069 1.00 0.00 C ATOM 373 C GLU A 49 2.896 0.688 7.112 1.00 0.00 C ATOM 374 O GLU A 49 2.292 -0.372 7.294 1.00 0.00 O ATOM 375 CB GLU A 49 5.333 1.025 6.766 1.00 0.00 C ATOM 376 CG GLU A 49 5.842 -0.210 7.495 1.00 0.00 C ATOM 377 CD GLU A 49 6.327 0.090 8.897 1.00 0.00 C ATOM 378 OE1 GLU A 49 5.529 0.608 9.705 1.00 0.00 O ATOM 379 OE2 GLU A 49 7.494 -0.218 9.215 1.00 0.00 O ATOM 0 H GLU A 49 4.048 2.784 5.429 1.00 0.00 H new ATOM 0 HA GLU A 49 4.058 -0.130 5.496 1.00 0.00 H new ATOM 0 HB2 GLU A 49 6.072 1.335 6.027 1.00 0.00 H new ATOM 0 HB3 GLU A 49 5.231 1.844 7.478 1.00 0.00 H new ATOM 0 HG2 GLU A 49 5.044 -0.951 7.543 1.00 0.00 H new ATOM 0 HG3 GLU A 49 6.656 -0.654 6.922 1.00 0.00 H new ATOM 386 N SER A 50 2.618 1.801 7.777 1.00 0.00 N ATOM 387 CA SER A 50 1.672 1.797 8.880 1.00 0.00 C ATOM 388 C SER A 50 1.045 3.162 9.076 1.00 0.00 C ATOM 389 O SER A 50 1.645 4.192 8.754 1.00 0.00 O ATOM 390 CB SER A 50 2.363 1.380 10.181 1.00 0.00 C ATOM 391 OG SER A 50 3.025 0.136 10.044 1.00 0.00 O ATOM 0 H SER A 50 3.031 2.711 7.573 1.00 0.00 H new ATOM 0 HA SER A 50 0.890 1.080 8.630 1.00 0.00 H new ATOM 0 HB2 SER A 50 3.082 2.145 10.473 1.00 0.00 H new ATOM 0 HB3 SER A 50 1.625 1.314 10.981 1.00 0.00 H new ATOM 0 HG SER A 50 3.876 0.268 9.577 1.00 0.00 H new ATOM 397 N ILE A 51 -0.158 3.150 9.612 1.00 0.00 N ATOM 398 CA ILE A 51 -0.830 4.362 10.027 1.00 0.00 C ATOM 399 C ILE A 51 -0.650 4.497 11.540 1.00 0.00 C ATOM 400 O ILE A 51 -0.203 3.554 12.193 1.00 0.00 O ATOM 401 CB ILE A 51 -2.337 4.325 9.645 1.00 0.00 C ATOM 402 CG1 ILE A 51 -2.501 4.055 8.147 1.00 0.00 C ATOM 403 CG2 ILE A 51 -3.047 5.627 10.011 1.00 0.00 C ATOM 404 CD1 ILE A 51 -1.839 5.090 7.260 1.00 0.00 C ATOM 0 H ILE A 51 -0.697 2.299 9.772 1.00 0.00 H new ATOM 0 HA ILE A 51 -0.399 5.224 9.518 1.00 0.00 H new ATOM 0 HB ILE A 51 -2.796 3.517 10.215 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -2.085 3.074 7.917 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -3.564 4.014 7.910 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -4.097 5.561 9.728 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -2.971 5.793 11.085 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -2.580 6.457 9.481 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -2.000 4.829 6.214 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -2.271 6.070 7.460 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -0.769 5.116 7.467 1.00 0.00 H new ATOM 416 N ASN A 52 -0.964 5.664 12.082 1.00 0.00 N ATOM 417 CA ASN A 52 -0.779 5.955 13.502 1.00 0.00 C ATOM 418 C ASN A 52 -1.385 4.876 14.399 1.00 0.00 C ATOM 419 O ASN A 52 -2.602 4.799 14.558 1.00 0.00 O ATOM 420 CB ASN A 52 -1.395 7.310 13.829 1.00 0.00 C ATOM 421 CG ASN A 52 -1.129 7.752 15.254 1.00 0.00 C ATOM 422 OD1 ASN A 52 -0.171 7.313 15.891 1.00 0.00 O ATOM 423 ND2 ASN A 52 -1.947 8.665 15.740 1.00 0.00 N ATOM 0 H ASN A 52 -1.356 6.441 11.550 1.00 0.00 H new ATOM 0 HA ASN A 52 0.293 5.973 13.699 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -0.999 8.058 13.142 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -2.471 7.263 13.664 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -1.798 9.035 16.679 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -2.729 9.001 15.177 1.00 0.00 H new ATOM 430 N GLY A 53 -0.522 4.028 14.952 1.00 0.00 N ATOM 431 CA GLY A 53 -0.958 2.997 15.875 1.00 0.00 C ATOM 432 C GLY A 53 -1.473 1.751 15.175 1.00 0.00 C ATOM 433 O GLY A 53 -1.589 0.693 15.789 1.00 0.00 O ATOM 0 H GLY A 53 0.482 4.039 14.774 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -0.127 2.724 16.525 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -1.744 3.399 16.514 1.00 0.00 H new ATOM 437 N MET A 54 -1.757 1.864 13.885 1.00 0.00 N ATOM 438 CA MET A 54 -2.386 0.785 13.138 1.00 0.00 C ATOM 439 C MET A 54 -1.626 0.503 11.848 1.00 0.00 C ATOM 440 O MET A 54 -1.681 1.289 10.903 1.00 0.00 O ATOM 441 CB MET A 54 -3.835 1.162 12.828 1.00 0.00 C ATOM 442 CG MET A 54 -4.698 1.323 14.074 1.00 0.00 C ATOM 443 SD MET A 54 -6.252 2.181 13.752 1.00 0.00 S ATOM 444 CE MET A 54 -5.646 3.809 13.299 1.00 0.00 C ATOM 0 H MET A 54 -1.560 2.698 13.332 1.00 0.00 H new ATOM 0 HA MET A 54 -2.367 -0.121 13.743 1.00 0.00 H new ATOM 0 HB2 MET A 54 -3.847 2.094 12.263 1.00 0.00 H new ATOM 0 HB3 MET A 54 -4.273 0.396 12.188 1.00 0.00 H new ATOM 0 HG2 MET A 54 -4.913 0.339 14.490 1.00 0.00 H new ATOM 0 HG3 MET A 54 -4.136 1.872 14.829 1.00 0.00 H new ATOM 0 HE1 MET A 54 -6.001 4.543 14.022 1.00 0.00 H new ATOM 0 HE2 MET A 54 -4.556 3.803 13.293 1.00 0.00 H new ATOM 0 HE3 MET A 54 -6.013 4.071 12.306 1.00 0.00 H new ATOM 454 N PRO A 55 -0.895 -0.622 11.797 1.00 0.00 N ATOM 455 CA PRO A 55 -0.114 -1.003 10.615 1.00 0.00 C ATOM 456 C PRO A 55 -1.003 -1.366 9.429 1.00 0.00 C ATOM 457 O PRO A 55 -2.116 -1.865 9.604 1.00 0.00 O ATOM 458 CB PRO A 55 0.681 -2.218 11.087 1.00 0.00 C ATOM 459 CG PRO A 55 -0.108 -2.783 12.218 1.00 0.00 C ATOM 460 CD PRO A 55 -0.783 -1.617 12.881 1.00 0.00 C ATOM 0 HA PRO A 55 0.513 -0.186 10.259 1.00 0.00 H new ATOM 0 HB2 PRO A 55 0.799 -2.947 10.286 1.00 0.00 H new ATOM 0 HB3 PRO A 55 1.683 -1.933 11.409 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -0.842 -3.505 11.859 1.00 0.00 H new ATOM 0 HG3 PRO A 55 0.539 -3.309 12.920 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -1.761 -1.891 13.277 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -0.196 -1.236 13.717 1.00 0.00 H new ATOM 468 N THR A 56 -0.513 -1.109 8.224 1.00 0.00 N ATOM 469 CA THR A 56 -1.310 -1.324 7.027 1.00 0.00 C ATOM 470 C THR A 56 -0.590 -2.202 6.008 1.00 0.00 C ATOM 471 O THR A 56 0.242 -1.724 5.240 1.00 0.00 O ATOM 472 CB THR A 56 -1.674 0.017 6.370 1.00 0.00 C ATOM 473 OG1 THR A 56 -0.502 0.830 6.249 1.00 0.00 O ATOM 474 CG2 THR A 56 -2.721 0.752 7.188 1.00 0.00 C ATOM 0 H THR A 56 0.427 -0.753 8.051 1.00 0.00 H new ATOM 0 HA THR A 56 -2.217 -1.839 7.342 1.00 0.00 H new ATOM 0 HB THR A 56 -2.085 -0.184 5.381 1.00 0.00 H new ATOM 0 HG1 THR A 56 0.239 0.287 5.906 1.00 0.00 H new ATOM 0 HG21 THR A 56 -2.963 1.698 6.704 1.00 0.00 H new ATOM 0 HG22 THR A 56 -3.621 0.141 7.261 1.00 0.00 H new ATOM 0 HG23 THR A 56 -2.332 0.945 8.188 1.00 0.00 H new ATOM 482 N SER A 57 -0.903 -3.487 6.016 1.00 0.00 N ATOM 483 CA SER A 57 -0.367 -4.405 5.021 1.00 0.00 C ATOM 484 C SER A 57 -1.429 -4.693 3.959 1.00 0.00 C ATOM 485 O SER A 57 -1.134 -5.210 2.882 1.00 0.00 O ATOM 486 CB SER A 57 0.099 -5.705 5.693 1.00 0.00 C ATOM 487 OG SER A 57 0.771 -6.557 4.777 1.00 0.00 O ATOM 0 H SER A 57 -1.525 -3.919 6.699 1.00 0.00 H new ATOM 0 HA SER A 57 0.495 -3.946 4.537 1.00 0.00 H new ATOM 0 HB2 SER A 57 0.763 -5.467 6.524 1.00 0.00 H new ATOM 0 HB3 SER A 57 -0.761 -6.227 6.112 1.00 0.00 H new ATOM 0 HG SER A 57 0.425 -6.403 3.873 1.00 0.00 H new ATOM 493 N ASN A 58 -2.667 -4.331 4.269 1.00 0.00 N ATOM 494 CA ASN A 58 -3.786 -4.571 3.367 1.00 0.00 C ATOM 495 C ASN A 58 -4.508 -3.266 3.068 1.00 0.00 C ATOM 496 O ASN A 58 -4.288 -2.254 3.741 1.00 0.00 O ATOM 497 CB ASN A 58 -4.783 -5.556 3.994 1.00 0.00 C ATOM 498 CG ASN A 58 -4.206 -6.945 4.185 1.00 0.00 C ATOM 499 OD1 ASN A 58 -4.349 -7.809 3.326 1.00 0.00 O ATOM 500 ND2 ASN A 58 -3.568 -7.175 5.321 1.00 0.00 N ATOM 0 H ASN A 58 -2.922 -3.868 5.141 1.00 0.00 H new ATOM 0 HA ASN A 58 -3.390 -4.994 2.444 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -5.109 -5.169 4.959 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -5.668 -5.620 3.361 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -3.174 -8.097 5.507 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -3.470 -6.430 6.011 1.00 0.00 H new ATOM 507 N LEU A 59 -5.376 -3.291 2.069 1.00 0.00 N ATOM 508 CA LEU A 59 -6.230 -2.150 1.778 1.00 0.00 C ATOM 509 C LEU A 59 -7.259 -1.973 2.889 1.00 0.00 C ATOM 510 O LEU A 59 -7.607 -0.849 3.257 1.00 0.00 O ATOM 511 CB LEU A 59 -6.930 -2.335 0.429 1.00 0.00 C ATOM 512 CG LEU A 59 -6.526 -1.339 -0.660 1.00 0.00 C ATOM 513 CD1 LEU A 59 -7.244 -1.653 -1.960 1.00 0.00 C ATOM 514 CD2 LEU A 59 -6.824 0.086 -0.220 1.00 0.00 C ATOM 0 H LEU A 59 -5.508 -4.088 1.446 1.00 0.00 H new ATOM 0 HA LEU A 59 -5.611 -1.254 1.724 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -6.728 -3.344 0.069 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -8.006 -2.262 0.584 1.00 0.00 H new ATOM 0 HG LEU A 59 -5.453 -1.430 -0.826 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -6.945 -0.935 -2.723 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -6.982 -2.660 -2.286 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -8.321 -1.590 -1.805 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -6.530 0.779 -1.008 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -7.891 0.191 -0.025 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -6.265 0.311 0.688 1.00 0.00 H new ATOM 526 N THR A 60 -7.717 -3.093 3.439 1.00 0.00 N ATOM 527 CA THR A 60 -8.694 -3.084 4.518 1.00 0.00 C ATOM 528 C THR A 60 -8.124 -2.424 5.776 1.00 0.00 C ATOM 529 O THR A 60 -8.822 -1.681 6.460 1.00 0.00 O ATOM 530 CB THR A 60 -9.154 -4.518 4.846 1.00 0.00 C ATOM 531 OG1 THR A 60 -9.523 -5.190 3.633 1.00 0.00 O ATOM 532 CG2 THR A 60 -10.333 -4.511 5.809 1.00 0.00 C ATOM 0 H THR A 60 -7.423 -4.026 3.150 1.00 0.00 H new ATOM 0 HA THR A 60 -9.552 -2.502 4.180 1.00 0.00 H new ATOM 0 HB THR A 60 -8.328 -5.044 5.325 1.00 0.00 H new ATOM 0 HG1 THR A 60 -9.814 -6.103 3.840 1.00 0.00 H new ATOM 0 HG21 THR A 60 -10.635 -5.536 6.022 1.00 0.00 H new ATOM 0 HG22 THR A 60 -10.042 -4.019 6.737 1.00 0.00 H new ATOM 0 HG23 THR A 60 -11.167 -3.973 5.359 1.00 0.00 H new ATOM 540 N THR A 61 -6.848 -2.673 6.068 1.00 0.00 N ATOM 541 CA THR A 61 -6.211 -2.062 7.231 1.00 0.00 C ATOM 542 C THR A 61 -6.082 -0.550 7.050 1.00 0.00 C ATOM 543 O THR A 61 -6.194 0.209 8.007 1.00 0.00 O ATOM 544 CB THR A 61 -4.831 -2.690 7.528 1.00 0.00 C ATOM 545 OG1 THR A 61 -4.122 -2.933 6.306 1.00 0.00 O ATOM 546 CG2 THR A 61 -4.990 -3.995 8.291 1.00 0.00 C ATOM 0 H THR A 61 -6.242 -3.286 5.522 1.00 0.00 H new ATOM 0 HA THR A 61 -6.854 -2.257 8.089 1.00 0.00 H new ATOM 0 HB THR A 61 -4.263 -1.989 8.140 1.00 0.00 H new ATOM 0 HG1 THR A 61 -4.462 -2.337 5.606 1.00 0.00 H new ATOM 0 HG21 THR A 61 -4.007 -4.422 8.491 1.00 0.00 H new ATOM 0 HG22 THR A 61 -5.502 -3.805 9.235 1.00 0.00 H new ATOM 0 HG23 THR A 61 -5.576 -4.696 7.696 1.00 0.00 H new ATOM 554 N TYR A 62 -5.878 -0.120 5.807 1.00 0.00 N ATOM 555 CA TYR A 62 -5.818 1.305 5.494 1.00 0.00 C ATOM 556 C TYR A 62 -7.217 1.905 5.605 1.00 0.00 C ATOM 557 O TYR A 62 -7.391 3.044 6.033 1.00 0.00 O ATOM 558 CB TYR A 62 -5.257 1.513 4.083 1.00 0.00 C ATOM 559 CG TYR A 62 -4.931 2.957 3.753 1.00 0.00 C ATOM 560 CD1 TYR A 62 -3.739 3.533 4.180 1.00 0.00 C ATOM 561 CD2 TYR A 62 -5.808 3.742 3.013 1.00 0.00 C ATOM 562 CE1 TYR A 62 -3.430 4.846 3.878 1.00 0.00 C ATOM 563 CE2 TYR A 62 -5.506 5.058 2.709 1.00 0.00 C ATOM 564 CZ TYR A 62 -4.317 5.604 3.144 1.00 0.00 C ATOM 565 OH TYR A 62 -4.004 6.910 2.840 1.00 0.00 O ATOM 0 H TYR A 62 -5.752 -0.735 5.003 1.00 0.00 H new ATOM 0 HA TYR A 62 -5.157 1.805 6.202 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -4.354 0.913 3.971 1.00 0.00 H new ATOM 0 HB3 TYR A 62 -5.980 1.140 3.358 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -3.042 2.944 4.758 1.00 0.00 H new ATOM 0 HD2 TYR A 62 -6.740 3.318 2.670 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -2.498 5.276 4.215 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -6.199 5.655 2.134 1.00 0.00 H new ATOM 0 HH TYR A 62 -4.593 7.513 3.341 1.00 0.00 H new ATOM 575 N SER A 63 -8.209 1.108 5.228 1.00 0.00 N ATOM 576 CA SER A 63 -9.598 1.498 5.298 1.00 0.00 C ATOM 577 C SER A 63 -10.054 1.669 6.746 1.00 0.00 C ATOM 578 O SER A 63 -10.636 2.694 7.114 1.00 0.00 O ATOM 579 CB SER A 63 -10.426 0.427 4.608 1.00 0.00 C ATOM 580 OG SER A 63 -10.114 0.340 3.223 1.00 0.00 O ATOM 0 H SER A 63 -8.063 0.167 4.863 1.00 0.00 H new ATOM 0 HA SER A 63 -9.730 2.460 4.802 1.00 0.00 H new ATOM 0 HB2 SER A 63 -10.246 -0.537 5.084 1.00 0.00 H new ATOM 0 HB3 SER A 63 -11.486 0.650 4.730 1.00 0.00 H new ATOM 0 HG SER A 63 -9.231 -0.071 3.112 1.00 0.00 H new ATOM 586 N ALA A 64 -9.770 0.663 7.562 1.00 0.00 N ATOM 587 CA ALA A 64 -10.173 0.659 8.965 1.00 0.00 C ATOM 588 C ALA A 64 -9.506 1.790 9.738 1.00 0.00 C ATOM 589 O ALA A 64 -10.087 2.340 10.673 1.00 0.00 O ATOM 590 CB ALA A 64 -9.844 -0.680 9.610 1.00 0.00 C ATOM 0 H ALA A 64 -9.257 -0.170 7.274 1.00 0.00 H new ATOM 0 HA ALA A 64 -11.251 0.815 9.000 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -10.151 -0.665 10.656 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -10.374 -1.476 9.087 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -8.770 -0.859 9.550 1.00 0.00 H new ATOM 596 N ALA A 65 -8.296 2.140 9.331 1.00 0.00 N ATOM 597 CA ALA A 65 -7.551 3.204 9.988 1.00 0.00 C ATOM 598 C ALA A 65 -8.081 4.569 9.568 1.00 0.00 C ATOM 599 O ALA A 65 -8.118 5.508 10.360 1.00 0.00 O ATOM 600 CB ALA A 65 -6.066 3.088 9.668 1.00 0.00 C ATOM 0 H ALA A 65 -7.808 1.703 8.549 1.00 0.00 H new ATOM 0 HA ALA A 65 -7.683 3.102 11.065 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -5.523 3.891 10.167 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -5.693 2.125 10.017 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -5.919 3.165 8.591 1.00 0.00 H new ATOM 606 N LEU A 66 -8.508 4.662 8.319 1.00 0.00 N ATOM 607 CA LEU A 66 -8.992 5.913 7.753 1.00 0.00 C ATOM 608 C LEU A 66 -10.313 6.322 8.390 1.00 0.00 C ATOM 609 O LEU A 66 -10.507 7.481 8.748 1.00 0.00 O ATOM 610 CB LEU A 66 -9.169 5.744 6.241 1.00 0.00 C ATOM 611 CG LEU A 66 -8.870 6.977 5.384 1.00 0.00 C ATOM 612 CD1 LEU A 66 -8.897 6.609 3.910 1.00 0.00 C ATOM 613 CD2 LEU A 66 -9.863 8.094 5.664 1.00 0.00 C ATOM 0 H LEU A 66 -8.529 3.876 7.670 1.00 0.00 H new ATOM 0 HA LEU A 66 -8.263 6.698 7.955 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -8.523 4.931 5.909 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -10.196 5.434 6.049 1.00 0.00 H new ATOM 0 HG LEU A 66 -7.874 7.337 5.644 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -8.683 7.494 3.310 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -8.145 5.846 3.712 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -9.883 6.224 3.649 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -9.626 8.956 5.041 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -10.872 7.749 5.437 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -9.804 8.378 6.715 1.00 0.00 H new ATOM 625 N LYS A 67 -11.212 5.355 8.543 1.00 0.00 N ATOM 626 CA LYS A 67 -12.566 5.630 9.021 1.00 0.00 C ATOM 627 C LYS A 67 -12.563 6.253 10.420 1.00 0.00 C ATOM 628 O LYS A 67 -13.512 6.938 10.801 1.00 0.00 O ATOM 629 CB LYS A 67 -13.416 4.350 9.004 1.00 0.00 C ATOM 630 CG LYS A 67 -13.025 3.320 10.058 1.00 0.00 C ATOM 631 CD LYS A 67 -13.780 2.007 9.878 1.00 0.00 C ATOM 632 CE LYS A 67 -15.290 2.200 9.919 1.00 0.00 C ATOM 633 NZ LYS A 67 -15.757 2.709 11.235 1.00 0.00 N ATOM 0 H LYS A 67 -11.029 4.372 8.343 1.00 0.00 H new ATOM 0 HA LYS A 67 -13.009 6.357 8.340 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -14.462 4.621 9.149 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -13.339 3.891 8.019 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -11.953 3.133 10.002 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -13.227 3.722 11.051 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -13.499 1.556 8.926 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -13.483 1.309 10.661 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -15.586 2.898 9.136 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -15.782 1.251 9.703 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -16.796 2.760 11.239 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -15.440 2.066 11.988 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -15.363 3.657 11.400 1.00 0.00 H new ATOM 647 N THR A 68 -11.500 6.027 11.178 1.00 0.00 N ATOM 648 CA THR A 68 -11.402 6.572 12.523 1.00 0.00 C ATOM 649 C THR A 68 -10.802 7.978 12.530 1.00 0.00 C ATOM 650 O THR A 68 -10.887 8.689 13.529 1.00 0.00 O ATOM 651 CB THR A 68 -10.580 5.654 13.442 1.00 0.00 C ATOM 652 OG1 THR A 68 -9.365 5.256 12.794 1.00 0.00 O ATOM 653 CG2 THR A 68 -11.383 4.422 13.828 1.00 0.00 C ATOM 0 H THR A 68 -10.696 5.472 10.885 1.00 0.00 H new ATOM 0 HA THR A 68 -12.421 6.634 12.905 1.00 0.00 H new ATOM 0 HB THR A 68 -10.336 6.211 14.346 1.00 0.00 H new ATOM 0 HG1 THR A 68 -8.851 4.673 13.391 1.00 0.00 H new ATOM 0 HG21 THR A 68 -10.783 3.786 14.478 1.00 0.00 H new ATOM 0 HG22 THR A 68 -12.288 4.727 14.353 1.00 0.00 H new ATOM 0 HG23 THR A 68 -11.655 3.868 12.929 1.00 0.00 H new ATOM 661 N ILE A 69 -10.200 8.384 11.414 1.00 0.00 N ATOM 662 CA ILE A 69 -9.558 9.689 11.338 1.00 0.00 C ATOM 663 C ILE A 69 -10.573 10.766 10.962 1.00 0.00 C ATOM 664 O ILE A 69 -11.410 10.565 10.080 1.00 0.00 O ATOM 665 CB ILE A 69 -8.401 9.709 10.311 1.00 0.00 C ATOM 666 CG1 ILE A 69 -7.502 8.482 10.480 1.00 0.00 C ATOM 667 CG2 ILE A 69 -7.581 10.982 10.452 1.00 0.00 C ATOM 668 CD1 ILE A 69 -6.920 8.322 11.868 1.00 0.00 C ATOM 0 H ILE A 69 -10.145 7.832 10.558 1.00 0.00 H new ATOM 0 HA ILE A 69 -9.146 9.894 12.326 1.00 0.00 H new ATOM 0 HB ILE A 69 -8.837 9.683 9.312 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -8.076 7.589 10.235 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -6.685 8.543 9.761 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -6.772 10.977 9.721 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -8.220 11.848 10.280 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -7.162 11.035 11.457 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -6.296 7.429 11.900 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -6.315 9.196 12.112 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -7.729 8.226 12.593 1.00 0.00 H new ATOM 680 N SER A 70 -10.500 11.905 11.636 1.00 0.00 N ATOM 681 CA SER A 70 -11.392 13.022 11.357 1.00 0.00 C ATOM 682 C SER A 70 -10.645 14.141 10.638 1.00 0.00 C ATOM 683 O SER A 70 -9.417 14.167 10.640 1.00 0.00 O ATOM 684 CB SER A 70 -11.993 13.550 12.661 1.00 0.00 C ATOM 685 OG SER A 70 -12.708 12.535 13.345 1.00 0.00 O ATOM 0 H SER A 70 -9.829 12.080 12.384 1.00 0.00 H new ATOM 0 HA SER A 70 -12.194 12.669 10.709 1.00 0.00 H new ATOM 0 HB2 SER A 70 -11.199 13.933 13.301 1.00 0.00 H new ATOM 0 HB3 SER A 70 -12.659 14.385 12.445 1.00 0.00 H new ATOM 0 HG SER A 70 -13.080 12.900 14.175 1.00 0.00 H new ATOM 691 N VAL A 71 -11.398 15.046 10.012 1.00 0.00 N ATOM 692 CA VAL A 71 -10.831 16.230 9.364 1.00 0.00 C ATOM 693 C VAL A 71 -10.125 17.118 10.392 1.00 0.00 C ATOM 694 O VAL A 71 -10.649 17.348 11.482 1.00 0.00 O ATOM 695 CB VAL A 71 -11.938 17.062 8.671 1.00 0.00 C ATOM 696 CG1 VAL A 71 -11.379 18.363 8.112 1.00 0.00 C ATOM 697 CG2 VAL A 71 -12.604 16.252 7.573 1.00 0.00 C ATOM 0 H VAL A 71 -12.413 14.980 9.940 1.00 0.00 H new ATOM 0 HA VAL A 71 -10.114 15.885 8.619 1.00 0.00 H new ATOM 0 HB VAL A 71 -12.688 17.314 9.421 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -12.179 18.926 7.631 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -10.955 18.955 8.923 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -10.602 18.141 7.381 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -13.379 16.853 7.097 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -11.860 15.965 6.830 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -13.052 15.356 8.003 1.00 0.00 H new ATOM 707 N GLY A 72 -8.933 17.595 10.052 1.00 0.00 N ATOM 708 CA GLY A 72 -8.223 18.515 10.922 1.00 0.00 C ATOM 709 C GLY A 72 -7.245 17.812 11.841 1.00 0.00 C ATOM 710 O GLY A 72 -6.363 18.443 12.425 1.00 0.00 O ATOM 0 H GLY A 72 -8.445 17.361 9.188 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -7.685 19.242 10.314 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -8.944 19.071 11.522 1.00 0.00 H new ATOM 714 N GLU A 73 -7.388 16.498 11.951 1.00 0.00 N ATOM 715 CA GLU A 73 -6.551 15.712 12.843 1.00 0.00 C ATOM 716 C GLU A 73 -5.199 15.437 12.197 1.00 0.00 C ATOM 717 O GLU A 73 -5.082 15.358 10.971 1.00 0.00 O ATOM 718 CB GLU A 73 -7.245 14.399 13.201 1.00 0.00 C ATOM 719 CG GLU A 73 -6.538 13.594 14.284 1.00 0.00 C ATOM 720 CD GLU A 73 -6.380 14.369 15.577 1.00 0.00 C ATOM 721 OE1 GLU A 73 -7.324 14.378 16.391 1.00 0.00 O ATOM 722 OE2 GLU A 73 -5.304 14.974 15.783 1.00 0.00 O ATOM 0 H GLU A 73 -8.078 15.955 11.432 1.00 0.00 H new ATOM 0 HA GLU A 73 -6.389 16.281 13.758 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -8.261 14.616 13.530 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -7.325 13.787 12.303 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -7.101 12.681 14.478 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -5.555 13.292 13.923 1.00 0.00 H new ATOM 729 N VAL A 74 -4.184 15.303 13.030 1.00 0.00 N ATOM 730 CA VAL A 74 -2.843 15.020 12.561 1.00 0.00 C ATOM 731 C VAL A 74 -2.489 13.572 12.867 1.00 0.00 C ATOM 732 O VAL A 74 -2.578 13.134 14.017 1.00 0.00 O ATOM 733 CB VAL A 74 -1.801 15.957 13.217 1.00 0.00 C ATOM 734 CG1 VAL A 74 -0.409 15.700 12.659 1.00 0.00 C ATOM 735 CG2 VAL A 74 -2.194 17.412 13.021 1.00 0.00 C ATOM 0 H VAL A 74 -4.266 15.387 14.043 1.00 0.00 H new ATOM 0 HA VAL A 74 -2.821 15.191 11.485 1.00 0.00 H new ATOM 0 HB VAL A 74 -1.781 15.744 14.286 1.00 0.00 H new ATOM 0 HG11 VAL A 74 0.304 16.372 13.137 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -0.123 14.667 12.856 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -0.410 15.877 11.583 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -1.450 18.056 13.489 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -2.247 17.634 11.955 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -3.167 17.591 13.478 1.00 0.00 H new ATOM 745 N ILE A 75 -2.104 12.833 11.843 1.00 0.00 N ATOM 746 CA ILE A 75 -1.806 11.419 11.991 1.00 0.00 C ATOM 747 C ILE A 75 -0.367 11.100 11.613 1.00 0.00 C ATOM 748 O ILE A 75 0.277 11.835 10.865 1.00 0.00 O ATOM 749 CB ILE A 75 -2.753 10.545 11.146 1.00 0.00 C ATOM 750 CG1 ILE A 75 -2.805 11.044 9.697 1.00 0.00 C ATOM 751 CG2 ILE A 75 -4.137 10.529 11.772 1.00 0.00 C ATOM 752 CD1 ILE A 75 -3.681 10.203 8.791 1.00 0.00 C ATOM 0 H ILE A 75 -1.990 13.190 10.894 1.00 0.00 H new ATOM 0 HA ILE A 75 -1.954 11.188 13.046 1.00 0.00 H new ATOM 0 HB ILE A 75 -2.371 9.524 11.128 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -3.171 12.071 9.689 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -1.793 11.063 9.293 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -4.802 9.909 11.170 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -4.075 10.121 12.781 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -4.529 11.545 11.815 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -3.667 10.619 7.783 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -3.304 9.181 8.767 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -4.703 10.204 9.170 1.00 0.00 H new ATOM 764 N ASN A 76 0.113 9.991 12.143 1.00 0.00 N ATOM 765 CA ASN A 76 1.463 9.510 11.892 1.00 0.00 C ATOM 766 C ASN A 76 1.440 8.421 10.819 1.00 0.00 C ATOM 767 O ASN A 76 0.687 7.460 10.926 1.00 0.00 O ATOM 768 CB ASN A 76 2.049 8.977 13.207 1.00 0.00 C ATOM 769 CG ASN A 76 3.320 8.178 13.024 1.00 0.00 C ATOM 770 OD1 ASN A 76 4.421 8.730 13.023 1.00 0.00 O ATOM 771 ND2 ASN A 76 3.173 6.868 12.899 1.00 0.00 N ATOM 0 H ASN A 76 -0.427 9.391 12.767 1.00 0.00 H new ATOM 0 HA ASN A 76 2.090 10.324 11.527 1.00 0.00 H new ATOM 0 HB2 ASN A 76 2.250 9.817 13.872 1.00 0.00 H new ATOM 0 HB3 ASN A 76 1.304 8.352 13.700 1.00 0.00 H new ATOM 0 HD21 ASN A 76 3.993 6.270 12.796 1.00 0.00 H new ATOM 0 HD22 ASN A 76 2.240 6.457 12.906 1.00 0.00 H new ATOM 778 N ILE A 77 2.250 8.585 9.783 1.00 0.00 N ATOM 779 CA ILE A 77 2.280 7.641 8.666 1.00 0.00 C ATOM 780 C ILE A 77 3.712 7.265 8.325 1.00 0.00 C ATOM 781 O ILE A 77 4.494 8.095 7.864 1.00 0.00 O ATOM 782 CB ILE A 77 1.602 8.230 7.405 1.00 0.00 C ATOM 783 CG1 ILE A 77 0.153 8.623 7.707 1.00 0.00 C ATOM 784 CG2 ILE A 77 1.651 7.227 6.258 1.00 0.00 C ATOM 785 CD1 ILE A 77 -0.545 9.317 6.556 1.00 0.00 C ATOM 0 H ILE A 77 2.900 9.366 9.689 1.00 0.00 H new ATOM 0 HA ILE A 77 1.729 6.755 8.980 1.00 0.00 H new ATOM 0 HB ILE A 77 2.147 9.126 7.108 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -0.408 7.727 7.973 1.00 0.00 H new ATOM 0 HG13 ILE A 77 0.138 9.279 8.577 1.00 0.00 H new ATOM 0 HG21 ILE A 77 1.170 7.656 5.379 1.00 0.00 H new ATOM 0 HG22 ILE A 77 2.689 6.991 6.025 1.00 0.00 H new ATOM 0 HG23 ILE A 77 1.128 6.316 6.549 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -1.566 9.564 6.846 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -0.008 10.231 6.303 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -0.563 8.656 5.690 1.00 0.00 H new ATOM 797 N THR A 78 4.055 6.014 8.566 1.00 0.00 N ATOM 798 CA THR A 78 5.370 5.512 8.234 1.00 0.00 C ATOM 799 C THR A 78 5.369 4.929 6.828 1.00 0.00 C ATOM 800 O THR A 78 4.550 4.070 6.507 1.00 0.00 O ATOM 801 CB THR A 78 5.822 4.432 9.236 1.00 0.00 C ATOM 802 OG1 THR A 78 5.860 4.987 10.558 1.00 0.00 O ATOM 803 CG2 THR A 78 7.197 3.883 8.875 1.00 0.00 C ATOM 0 H THR A 78 3.436 5.325 8.993 1.00 0.00 H new ATOM 0 HA THR A 78 6.069 6.347 8.284 1.00 0.00 H new ATOM 0 HB THR A 78 5.105 3.612 9.197 1.00 0.00 H new ATOM 0 HG1 THR A 78 6.146 4.298 11.194 1.00 0.00 H new ATOM 0 HG21 THR A 78 7.487 3.123 9.601 1.00 0.00 H new ATOM 0 HG22 THR A 78 7.162 3.440 7.880 1.00 0.00 H new ATOM 0 HG23 THR A 78 7.926 4.693 8.886 1.00 0.00 H new ATOM 811 N THR A 79 6.260 5.417 5.987 1.00 0.00 N ATOM 812 CA THR A 79 6.423 4.857 4.661 1.00 0.00 C ATOM 813 C THR A 79 7.730 4.080 4.596 1.00 0.00 C ATOM 814 O THR A 79 8.523 4.115 5.539 1.00 0.00 O ATOM 815 CB THR A 79 6.412 5.942 3.563 1.00 0.00 C ATOM 816 OG1 THR A 79 7.553 6.799 3.688 1.00 0.00 O ATOM 817 CG2 THR A 79 5.139 6.776 3.633 1.00 0.00 C ATOM 0 H THR A 79 6.881 6.198 6.198 1.00 0.00 H new ATOM 0 HA THR A 79 5.577 4.195 4.476 1.00 0.00 H new ATOM 0 HB THR A 79 6.448 5.436 2.598 1.00 0.00 H new ATOM 0 HG1 THR A 79 7.802 6.876 4.633 1.00 0.00 H new ATOM 0 HG21 THR A 79 5.156 7.533 2.849 1.00 0.00 H new ATOM 0 HG22 THR A 79 4.272 6.130 3.494 1.00 0.00 H new ATOM 0 HG23 THR A 79 5.076 7.263 4.606 1.00 0.00 H new ATOM 825 N ASP A 80 7.957 3.394 3.489 1.00 0.00 N ATOM 826 CA ASP A 80 9.166 2.591 3.318 1.00 0.00 C ATOM 827 C ASP A 80 10.422 3.467 3.339 1.00 0.00 C ATOM 828 O ASP A 80 11.510 3.006 3.682 1.00 0.00 O ATOM 829 CB ASP A 80 9.089 1.799 2.007 1.00 0.00 C ATOM 830 CG ASP A 80 10.202 0.773 1.867 1.00 0.00 C ATOM 831 OD1 ASP A 80 10.289 -0.136 2.729 1.00 0.00 O ATOM 832 OD2 ASP A 80 10.984 0.863 0.898 1.00 0.00 O ATOM 0 H ASP A 80 7.322 3.374 2.691 1.00 0.00 H new ATOM 0 HA ASP A 80 9.232 1.893 4.153 1.00 0.00 H new ATOM 0 HB2 ASP A 80 8.126 1.292 1.951 1.00 0.00 H new ATOM 0 HB3 ASP A 80 9.133 2.492 1.167 1.00 0.00 H new ATOM 837 N GLN A 81 10.260 4.742 3.001 1.00 0.00 N ATOM 838 CA GLN A 81 11.390 5.661 2.937 1.00 0.00 C ATOM 839 C GLN A 81 11.385 6.643 4.111 1.00 0.00 C ATOM 840 O GLN A 81 12.067 7.666 4.071 1.00 0.00 O ATOM 841 CB GLN A 81 11.389 6.433 1.611 1.00 0.00 C ATOM 842 CG GLN A 81 12.115 5.732 0.464 1.00 0.00 C ATOM 843 CD GLN A 81 11.551 4.363 0.139 1.00 0.00 C ATOM 844 OE1 GLN A 81 10.627 4.232 -0.664 1.00 0.00 O ATOM 845 NE2 GLN A 81 12.117 3.334 0.745 1.00 0.00 N ATOM 0 H GLN A 81 9.360 5.161 2.768 1.00 0.00 H new ATOM 0 HA GLN A 81 12.298 5.061 2.999 1.00 0.00 H new ATOM 0 HB2 GLN A 81 10.356 6.614 1.313 1.00 0.00 H new ATOM 0 HB3 GLN A 81 11.850 7.407 1.773 1.00 0.00 H new ATOM 0 HG2 GLN A 81 12.062 6.359 -0.426 1.00 0.00 H new ATOM 0 HG3 GLN A 81 13.170 5.630 0.720 1.00 0.00 H new ATOM 0 HE21 GLN A 81 12.880 3.487 1.404 1.00 0.00 H new ATOM 0 HE22 GLN A 81 11.790 2.387 0.554 1.00 0.00 H new ATOM 854 N GLY A 82 10.627 6.332 5.156 1.00 0.00 N ATOM 855 CA GLY A 82 10.638 7.173 6.344 1.00 0.00 C ATOM 856 C GLY A 82 9.251 7.477 6.875 1.00 0.00 C ATOM 857 O GLY A 82 8.251 7.242 6.195 1.00 0.00 O ATOM 0 H GLY A 82 10.010 5.521 5.205 1.00 0.00 H new ATOM 0 HA2 GLY A 82 11.219 6.681 7.124 1.00 0.00 H new ATOM 0 HA3 GLY A 82 11.145 8.110 6.113 1.00 0.00 H new ATOM 861 N THR A 83 9.188 8.000 8.090 1.00 0.00 N ATOM 862 CA THR A 83 7.918 8.333 8.720 1.00 0.00 C ATOM 863 C THR A 83 7.598 9.820 8.567 1.00 0.00 C ATOM 864 O THR A 83 8.474 10.674 8.709 1.00 0.00 O ATOM 865 CB THR A 83 7.937 7.972 10.220 1.00 0.00 C ATOM 866 OG1 THR A 83 8.315 6.600 10.393 1.00 0.00 O ATOM 867 CG2 THR A 83 6.577 8.203 10.855 1.00 0.00 C ATOM 0 H THR A 83 10.007 8.204 8.663 1.00 0.00 H new ATOM 0 HA THR A 83 7.146 7.750 8.218 1.00 0.00 H new ATOM 0 HB THR A 83 8.666 8.618 10.710 1.00 0.00 H new ATOM 0 HG1 THR A 83 7.511 6.050 10.500 1.00 0.00 H new ATOM 0 HG21 THR A 83 6.620 7.940 11.912 1.00 0.00 H new ATOM 0 HG22 THR A 83 6.301 9.253 10.753 1.00 0.00 H new ATOM 0 HG23 THR A 83 5.833 7.582 10.357 1.00 0.00 H new ATOM 875 N PHE A 84 6.342 10.122 8.266 1.00 0.00 N ATOM 876 CA PHE A 84 5.886 11.499 8.143 1.00 0.00 C ATOM 877 C PHE A 84 4.614 11.704 8.961 1.00 0.00 C ATOM 878 O PHE A 84 3.912 10.746 9.275 1.00 0.00 O ATOM 879 CB PHE A 84 5.613 11.850 6.676 1.00 0.00 C ATOM 880 CG PHE A 84 6.780 11.612 5.756 1.00 0.00 C ATOM 881 CD1 PHE A 84 7.821 12.522 5.685 1.00 0.00 C ATOM 882 CD2 PHE A 84 6.833 10.477 4.963 1.00 0.00 C ATOM 883 CE1 PHE A 84 8.893 12.306 4.838 1.00 0.00 C ATOM 884 CE2 PHE A 84 7.902 10.255 4.116 1.00 0.00 C ATOM 885 CZ PHE A 84 8.934 11.169 4.054 1.00 0.00 C ATOM 0 H PHE A 84 5.616 9.425 8.101 1.00 0.00 H new ATOM 0 HA PHE A 84 6.671 12.154 8.521 1.00 0.00 H new ATOM 0 HB2 PHE A 84 4.764 11.263 6.326 1.00 0.00 H new ATOM 0 HB3 PHE A 84 5.324 12.899 6.613 1.00 0.00 H new ATOM 0 HD1 PHE A 84 7.796 13.411 6.298 1.00 0.00 H new ATOM 0 HD2 PHE A 84 6.029 9.757 5.007 1.00 0.00 H new ATOM 0 HE1 PHE A 84 9.697 13.025 4.790 1.00 0.00 H new ATOM 0 HE2 PHE A 84 7.930 9.366 3.503 1.00 0.00 H new ATOM 0 HZ PHE A 84 9.772 10.996 3.394 1.00 0.00 H new ATOM 895 N HIS A 85 4.324 12.948 9.315 1.00 0.00 N ATOM 896 CA HIS A 85 3.077 13.263 9.989 1.00 0.00 C ATOM 897 C HIS A 85 2.199 14.097 9.074 1.00 0.00 C ATOM 898 O HIS A 85 2.647 15.090 8.496 1.00 0.00 O ATOM 899 CB HIS A 85 3.308 13.974 11.333 1.00 0.00 C ATOM 900 CG HIS A 85 4.034 15.287 11.258 1.00 0.00 C ATOM 901 ND1 HIS A 85 5.404 15.388 11.272 1.00 0.00 N ATOM 902 CD2 HIS A 85 3.567 16.557 11.205 1.00 0.00 C ATOM 903 CE1 HIS A 85 5.752 16.659 11.231 1.00 0.00 C ATOM 904 NE2 HIS A 85 4.655 17.393 11.191 1.00 0.00 N ATOM 0 H HIS A 85 4.932 13.749 9.147 1.00 0.00 H new ATOM 0 HA HIS A 85 2.569 12.326 10.217 1.00 0.00 H new ATOM 0 HB2 HIS A 85 2.340 14.141 11.806 1.00 0.00 H new ATOM 0 HB3 HIS A 85 3.870 13.305 11.985 1.00 0.00 H new ATOM 0 HD2 HIS A 85 2.530 16.857 11.179 1.00 0.00 H new ATOM 0 HE1 HIS A 85 6.764 17.036 11.230 1.00 0.00 H new ATOM 0 HE2 HIS A 85 4.622 18.412 11.156 1.00 0.00 H new ATOM 913 N LEU A 86 0.954 13.684 8.940 1.00 0.00 N ATOM 914 CA LEU A 86 0.045 14.293 7.985 1.00 0.00 C ATOM 915 C LEU A 86 -1.150 14.922 8.693 1.00 0.00 C ATOM 916 O LEU A 86 -1.545 14.480 9.767 1.00 0.00 O ATOM 917 CB LEU A 86 -0.440 13.238 6.986 1.00 0.00 C ATOM 918 CG LEU A 86 -1.205 13.784 5.782 1.00 0.00 C ATOM 919 CD1 LEU A 86 -0.324 14.723 4.981 1.00 0.00 C ATOM 920 CD2 LEU A 86 -1.710 12.649 4.907 1.00 0.00 C ATOM 0 H LEU A 86 0.545 12.924 9.484 1.00 0.00 H new ATOM 0 HA LEU A 86 0.581 15.079 7.454 1.00 0.00 H new ATOM 0 HB2 LEU A 86 0.423 12.679 6.625 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -1.080 12.530 7.512 1.00 0.00 H new ATOM 0 HG LEU A 86 -2.068 14.342 6.145 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -0.882 15.105 4.126 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -0.012 15.556 5.612 1.00 0.00 H new ATOM 0 HD13 LEU A 86 0.556 14.185 4.629 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -2.252 13.060 4.055 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -0.865 12.061 4.550 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -2.376 12.011 5.487 1.00 0.00 H new ATOM 932 N LYS A 87 -1.721 15.948 8.085 1.00 0.00 N ATOM 933 CA LYS A 87 -2.892 16.611 8.635 1.00 0.00 C ATOM 934 C LYS A 87 -4.043 16.511 7.641 1.00 0.00 C ATOM 935 O LYS A 87 -3.910 16.911 6.484 1.00 0.00 O ATOM 936 CB LYS A 87 -2.574 18.076 8.947 1.00 0.00 C ATOM 937 CG LYS A 87 -3.686 18.810 9.683 1.00 0.00 C ATOM 938 CD LYS A 87 -3.315 20.264 9.926 1.00 0.00 C ATOM 939 CE LYS A 87 -4.404 21.012 10.681 1.00 0.00 C ATOM 940 NZ LYS A 87 -4.575 20.508 12.071 1.00 0.00 N ATOM 0 H LYS A 87 -1.390 16.342 7.204 1.00 0.00 H new ATOM 0 HA LYS A 87 -3.182 16.122 9.565 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -1.665 18.120 9.547 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -2.365 18.598 8.013 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -4.607 18.759 9.102 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -3.883 18.318 10.635 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -2.384 20.311 10.491 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -3.133 20.756 8.971 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -4.160 22.074 10.709 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -5.347 20.916 10.143 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -5.011 21.248 12.657 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -5.187 19.668 12.063 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -3.646 20.256 12.465 1.00 0.00 H new ATOM 954 N THR A 88 -5.159 15.960 8.089 1.00 0.00 N ATOM 955 CA THR A 88 -6.318 15.757 7.228 1.00 0.00 C ATOM 956 C THR A 88 -7.021 17.074 6.912 1.00 0.00 C ATOM 957 O THR A 88 -7.191 17.934 7.779 1.00 0.00 O ATOM 958 CB THR A 88 -7.308 14.792 7.889 1.00 0.00 C ATOM 959 OG1 THR A 88 -7.573 15.220 9.223 1.00 0.00 O ATOM 960 CG2 THR A 88 -6.748 13.377 7.905 1.00 0.00 C ATOM 0 H THR A 88 -5.289 15.643 9.050 1.00 0.00 H new ATOM 0 HA THR A 88 -5.960 15.329 6.292 1.00 0.00 H new ATOM 0 HB THR A 88 -8.234 14.792 7.314 1.00 0.00 H new ATOM 0 HG1 THR A 88 -8.200 14.598 9.648 1.00 0.00 H new ATOM 0 HG21 THR A 88 -7.466 12.707 8.378 1.00 0.00 H new ATOM 0 HG22 THR A 88 -6.563 13.047 6.883 1.00 0.00 H new ATOM 0 HG23 THR A 88 -5.813 13.362 8.466 1.00 0.00 H new ATOM 968 N GLY A 89 -7.409 17.229 5.657 1.00 0.00 N ATOM 969 CA GLY A 89 -8.142 18.405 5.236 1.00 0.00 C ATOM 970 C GLY A 89 -9.607 18.097 4.988 1.00 0.00 C ATOM 971 O GLY A 89 -10.123 17.090 5.475 1.00 0.00 O ATOM 0 H GLY A 89 -7.227 16.554 4.914 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -8.057 19.179 5.999 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -7.696 18.805 4.326 1.00 0.00 H new ATOM 1101 N ALA A 98 -11.441 13.244 6.231 1.00 0.00 N ATOM 1102 CA ALA A 98 -10.068 12.763 6.103 1.00 0.00 C ATOM 1103 C ALA A 98 -9.843 12.327 4.663 1.00 0.00 C ATOM 1104 O ALA A 98 -9.727 11.141 4.357 1.00 0.00 O ATOM 1105 CB ALA A 98 -9.781 11.627 7.081 1.00 0.00 C ATOM 0 HA ALA A 98 -9.376 13.567 6.353 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -8.751 11.293 6.959 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -9.929 11.979 8.102 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -10.458 10.796 6.882 1.00 0.00 H new ATOM 1111 N TYR A 99 -9.792 13.313 3.789 1.00 0.00 N ATOM 1112 CA TYR A 99 -9.999 13.096 2.363 1.00 0.00 C ATOM 1113 C TYR A 99 -8.896 12.274 1.703 1.00 0.00 C ATOM 1114 O TYR A 99 -9.164 11.544 0.749 1.00 0.00 O ATOM 1115 CB TYR A 99 -10.140 14.446 1.663 1.00 0.00 C ATOM 1116 CG TYR A 99 -8.869 15.262 1.617 1.00 0.00 C ATOM 1117 CD1 TYR A 99 -8.307 15.761 2.777 1.00 0.00 C ATOM 1118 CD2 TYR A 99 -8.232 15.532 0.412 1.00 0.00 C ATOM 1119 CE1 TYR A 99 -7.149 16.499 2.748 1.00 0.00 C ATOM 1120 CE2 TYR A 99 -7.067 16.275 0.373 1.00 0.00 C ATOM 1121 CZ TYR A 99 -6.530 16.757 1.546 1.00 0.00 C ATOM 1122 OH TYR A 99 -5.366 17.486 1.522 1.00 0.00 O ATOM 0 H TYR A 99 -9.607 14.284 4.041 1.00 0.00 H new ATOM 0 HA TYR A 99 -10.913 12.511 2.259 1.00 0.00 H new ATOM 0 HB2 TYR A 99 -10.486 14.278 0.643 1.00 0.00 H new ATOM 0 HB3 TYR A 99 -10.911 15.026 2.170 1.00 0.00 H new ATOM 0 HD1 TYR A 99 -8.788 15.567 3.724 1.00 0.00 H new ATOM 0 HD2 TYR A 99 -8.654 15.156 -0.508 1.00 0.00 H new ATOM 0 HE1 TYR A 99 -6.725 16.876 3.667 1.00 0.00 H new ATOM 0 HE2 TYR A 99 -6.581 16.476 -0.571 1.00 0.00 H new ATOM 0 HH TYR A 99 -4.947 17.405 0.640 1.00 0.00 H new ATOM 1132 N MET A 100 -7.673 12.381 2.222 1.00 0.00 N ATOM 1133 CA MET A 100 -6.502 11.760 1.599 1.00 0.00 C ATOM 1134 C MET A 100 -6.291 12.310 0.190 1.00 0.00 C ATOM 1135 O MET A 100 -6.894 11.841 -0.778 1.00 0.00 O ATOM 1136 CB MET A 100 -6.625 10.231 1.560 1.00 0.00 C ATOM 1137 CG MET A 100 -6.741 9.595 2.936 1.00 0.00 C ATOM 1138 SD MET A 100 -5.354 10.002 4.013 1.00 0.00 S ATOM 1139 CE MET A 100 -5.781 9.075 5.483 1.00 0.00 C ATOM 0 H MET A 100 -7.466 12.895 3.078 1.00 0.00 H new ATOM 0 HA MET A 100 -5.634 12.008 2.210 1.00 0.00 H new ATOM 0 HB2 MET A 100 -7.500 9.960 0.969 1.00 0.00 H new ATOM 0 HB3 MET A 100 -5.755 9.818 1.050 1.00 0.00 H new ATOM 0 HG2 MET A 100 -7.668 9.923 3.406 1.00 0.00 H new ATOM 0 HG3 MET A 100 -6.805 8.512 2.827 1.00 0.00 H new ATOM 0 HE1 MET A 100 -5.095 9.336 6.289 1.00 0.00 H new ATOM 0 HE2 MET A 100 -6.801 9.316 5.782 1.00 0.00 H new ATOM 0 HE3 MET A 100 -5.707 8.008 5.274 1.00 0.00 H new ATOM 1149 N GLY A 101 -5.428 13.312 0.080 1.00 0.00 N ATOM 1150 CA GLY A 101 -5.222 13.980 -1.192 1.00 0.00 C ATOM 1151 C GLY A 101 -4.236 13.259 -2.080 1.00 0.00 C ATOM 1152 O GLY A 101 -3.551 13.874 -2.892 1.00 0.00 O ATOM 0 H GLY A 101 -4.866 13.675 0.850 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -6.177 14.065 -1.711 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -4.866 14.994 -1.011 1.00 0.00 H new ATOM 1156 N ILE A 102 -4.161 11.951 -1.928 1.00 0.00 N ATOM 1157 CA ILE A 102 -3.249 11.149 -2.716 1.00 0.00 C ATOM 1158 C ILE A 102 -3.945 9.884 -3.188 1.00 0.00 C ATOM 1159 O ILE A 102 -4.913 9.426 -2.579 1.00 0.00 O ATOM 1160 CB ILE A 102 -1.978 10.763 -1.923 1.00 0.00 C ATOM 1161 CG1 ILE A 102 -2.325 9.816 -0.771 1.00 0.00 C ATOM 1162 CG2 ILE A 102 -1.284 12.011 -1.392 1.00 0.00 C ATOM 1163 CD1 ILE A 102 -1.111 9.234 -0.082 1.00 0.00 C ATOM 0 H ILE A 102 -4.724 11.421 -1.263 1.00 0.00 H new ATOM 0 HA ILE A 102 -2.944 11.754 -3.570 1.00 0.00 H new ATOM 0 HB ILE A 102 -1.297 10.246 -2.599 1.00 0.00 H new ATOM 0 HG12 ILE A 102 -2.926 10.354 -0.038 1.00 0.00 H new ATOM 0 HG13 ILE A 102 -2.941 9.002 -1.153 1.00 0.00 H new ATOM 0 HG21 ILE A 102 -0.392 11.723 -0.836 1.00 0.00 H new ATOM 0 HG22 ILE A 102 -1.000 12.652 -2.226 1.00 0.00 H new ATOM 0 HG23 ILE A 102 -1.963 12.552 -0.733 1.00 0.00 H new ATOM 0 HD11 ILE A 102 -1.432 8.573 0.723 1.00 0.00 H new ATOM 0 HD12 ILE A 102 -0.520 8.668 -0.802 1.00 0.00 H new ATOM 0 HD13 ILE A 102 -0.505 10.041 0.330 1.00 0.00 H new ATOM 1175 N ARG A 103 -3.463 9.344 -4.286 1.00 0.00 N ATOM 1176 CA ARG A 103 -3.966 8.091 -4.804 1.00 0.00 C ATOM 1177 C ARG A 103 -3.117 6.957 -4.255 1.00 0.00 C ATOM 1178 O ARG A 103 -1.914 7.122 -4.069 1.00 0.00 O ATOM 1179 CB ARG A 103 -3.918 8.096 -6.332 1.00 0.00 C ATOM 1180 CG ARG A 103 -4.792 7.027 -6.975 1.00 0.00 C ATOM 1181 CD ARG A 103 -6.243 7.149 -6.532 1.00 0.00 C ATOM 1182 NE ARG A 103 -6.870 8.388 -6.996 1.00 0.00 N ATOM 1183 CZ ARG A 103 -7.643 9.166 -6.236 1.00 0.00 C ATOM 1184 NH1 ARG A 103 -7.793 8.898 -4.944 1.00 0.00 N ATOM 1185 NH2 ARG A 103 -8.258 10.218 -6.764 1.00 0.00 N ATOM 0 H ARG A 103 -2.715 9.759 -4.842 1.00 0.00 H new ATOM 0 HA ARG A 103 -5.002 7.955 -4.495 1.00 0.00 H new ATOM 0 HB2 ARG A 103 -4.232 9.075 -6.693 1.00 0.00 H new ATOM 0 HB3 ARG A 103 -2.887 7.952 -6.655 1.00 0.00 H new ATOM 0 HG2 ARG A 103 -4.734 7.113 -8.060 1.00 0.00 H new ATOM 0 HG3 ARG A 103 -4.413 6.039 -6.712 1.00 0.00 H new ATOM 0 HD2 ARG A 103 -6.808 6.297 -6.910 1.00 0.00 H new ATOM 0 HD3 ARG A 103 -6.292 7.107 -5.444 1.00 0.00 H new ATOM 0 HE ARG A 103 -6.706 8.675 -7.961 1.00 0.00 H new ATOM 0 HH11 ARG A 103 -7.317 8.096 -4.531 1.00 0.00 H new ATOM 0 HH12 ARG A 103 -8.384 9.494 -4.365 1.00 0.00 H new ATOM 0 HH21 ARG A 103 -8.140 10.434 -7.754 1.00 0.00 H new ATOM 0 HH22 ARG A 103 -8.848 10.810 -6.180 1.00 0.00 H new ATOM 1199 N THR A 104 -3.736 5.824 -3.983 1.00 0.00 N ATOM 1200 CA THR A 104 -3.007 4.676 -3.488 1.00 0.00 C ATOM 1201 C THR A 104 -3.599 3.380 -4.012 1.00 0.00 C ATOM 1202 O THR A 104 -4.780 3.309 -4.368 1.00 0.00 O ATOM 1203 CB THR A 104 -2.946 4.644 -1.942 1.00 0.00 C ATOM 1204 OG1 THR A 104 -2.497 3.369 -1.478 1.00 0.00 O ATOM 1205 CG2 THR A 104 -4.290 4.974 -1.315 1.00 0.00 C ATOM 0 H THR A 104 -4.739 5.676 -4.097 1.00 0.00 H new ATOM 0 HA THR A 104 -1.987 4.773 -3.860 1.00 0.00 H new ATOM 0 HB THR A 104 -2.233 5.409 -1.636 1.00 0.00 H new ATOM 0 HG1 THR A 104 -1.695 3.104 -1.974 1.00 0.00 H new ATOM 0 HG21 THR A 104 -4.203 4.940 -0.229 1.00 0.00 H new ATOM 0 HG22 THR A 104 -4.600 5.972 -1.623 1.00 0.00 H new ATOM 0 HG23 THR A 104 -5.033 4.246 -1.642 1.00 0.00 H new ATOM 1213 N SER A 105 -2.755 2.374 -4.065 1.00 0.00 N ATOM 1214 CA SER A 105 -3.147 1.051 -4.493 1.00 0.00 C ATOM 1215 C SER A 105 -2.703 0.019 -3.461 1.00 0.00 C ATOM 1216 O SER A 105 -1.953 0.331 -2.542 1.00 0.00 O ATOM 1217 CB SER A 105 -2.550 0.739 -5.870 1.00 0.00 C ATOM 1218 OG SER A 105 -1.180 1.102 -5.929 1.00 0.00 O ATOM 0 H SER A 105 -1.770 2.452 -3.810 1.00 0.00 H new ATOM 0 HA SER A 105 -4.233 1.010 -4.578 1.00 0.00 H new ATOM 0 HB2 SER A 105 -2.657 -0.325 -6.083 1.00 0.00 H new ATOM 0 HB3 SER A 105 -3.105 1.275 -6.640 1.00 0.00 H new ATOM 0 HG SER A 105 -1.099 2.024 -6.251 1.00 0.00 H new ATOM 1224 N ASN A 106 -3.147 -1.208 -3.637 1.00 0.00 N ATOM 1225 CA ASN A 106 -2.912 -2.275 -2.677 1.00 0.00 C ATOM 1226 C ASN A 106 -1.600 -2.994 -2.984 1.00 0.00 C ATOM 1227 O ASN A 106 -1.250 -3.977 -2.334 1.00 0.00 O ATOM 1228 CB ASN A 106 -4.076 -3.263 -2.748 1.00 0.00 C ATOM 1229 CG ASN A 106 -4.020 -4.339 -1.688 1.00 0.00 C ATOM 1230 OD1 ASN A 106 -3.661 -4.094 -0.536 1.00 0.00 O ATOM 1231 ND2 ASN A 106 -4.356 -5.549 -2.083 1.00 0.00 N ATOM 0 H ASN A 106 -3.685 -1.498 -4.454 1.00 0.00 H new ATOM 0 HA ASN A 106 -2.841 -1.852 -1.675 1.00 0.00 H new ATOM 0 HB2 ASN A 106 -5.013 -2.715 -2.649 1.00 0.00 H new ATOM 0 HB3 ASN A 106 -4.084 -3.733 -3.731 1.00 0.00 H new ATOM 0 HD21 ASN A 106 -4.325 -6.327 -1.425 1.00 0.00 H new ATOM 0 HD22 ASN A 106 -4.648 -5.708 -3.047 1.00 0.00 H new