USER MOD reduce.3.24.130724 H: found=0, std=0, add=922, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 922 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 104 SER OG : rot -7:sc= 1.04 USER MOD Set 1.2: A 127 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 39 CYS SG : rot -6:sc= -4.83! USER MOD Set 2.2: A 42 GLN : amide:sc= -3.22 X(o=-8.1,f=-7.8!) USER MOD Single : A 9 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.0898) USER MOD Single : A 29 ASN : amide:sc= -0.392 X(o=-0.39,f=-0.79) USER MOD Single : A 30 ASN : amide:sc= -0.0104 K(o=-0.01,f=-1.3) USER MOD Single : A 31 MET CE :methyl -177:sc= -5.28! (180deg=-5.47!) USER MOD Single : A 34 TYR OH : rot -22:sc= -0.23 USER MOD Single : A 36 GLN : amide:sc= -4.07 K(o=-4.1,f=-9.5!) USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 GLN : amide:sc= -0.0356 X(o=-0.036,f=-0.028) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot -100:sc= -0.183 USER MOD Single : A 47 ASN : amide:sc= -0.228 K(o=-0.23,f=-1.3) USER MOD Single : A 52 MET CE :methyl 131:sc= -0.0514 (180deg=-1.1) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0.128 USER MOD Single : A 55 THR OG1 : rot 62:sc= 0.136 USER MOD Single : A 59 ASN : amide:sc= -2.88! X(o=-2.9!,f=-2.4) USER MOD Single : A 61 THR OG1 : rot 4:sc= 0.768 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot -164:sc= -1.36 USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 LYS NZ :NH3+ -128:sc= 0.0141 (180deg=0) USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD Single : A 108 THR OG1 : rot 180:sc= 0 USER MOD Single : A 110 TYR OH : rot 180:sc= 0 USER MOD Single : A 111 ASN : amide:sc= 0.0249! C(o=0.025!,f=-8.4!) USER MOD Single : A 114 LYS NZ :NH3+ -151:sc= -0.492 (180deg=-1.83) USER MOD Single : A 118 TYR OH : rot 180:sc= 0 USER MOD Single : A 119 LYS NZ :NH3+ -111:sc= -0.188 (180deg=-1.19) USER MOD Single : A 129 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 131 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 -9.667 19.530 -3.040 1.00 0.00 N ATOM 60 CA GLY A 7 -8.411 19.038 -2.500 1.00 0.00 C ATOM 61 C GLY A 7 -7.252 19.331 -3.455 1.00 0.00 C ATOM 62 O GLY A 7 -7.365 20.187 -4.331 1.00 0.00 O ATOM 0 HA2 GLY A 7 -8.218 19.505 -1.534 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -8.481 17.964 -2.326 1.00 0.00 H new ATOM 66 N PRO A 8 -6.134 18.583 -3.249 1.00 0.00 N ATOM 67 CA PRO A 8 -4.955 18.754 -4.081 1.00 0.00 C ATOM 68 C PRO A 8 -5.163 18.126 -5.461 1.00 0.00 C ATOM 69 O PRO A 8 -6.282 17.767 -5.822 1.00 0.00 O ATOM 70 CB PRO A 8 -3.824 18.108 -3.298 1.00 0.00 C ATOM 71 CG PRO A 8 -4.489 17.195 -2.281 1.00 0.00 C ATOM 72 CD PRO A 8 -5.964 17.560 -2.222 1.00 0.00 C ATOM 0 HA PRO A 8 -4.732 19.801 -4.285 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -3.165 17.543 -3.958 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -3.211 18.862 -2.804 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -4.365 16.151 -2.567 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -4.027 17.314 -1.301 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -6.595 16.693 -2.419 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -6.239 17.938 -1.237 1.00 0.00 H new ATOM 80 N HIS A 9 -4.065 18.013 -6.195 1.00 0.00 N ATOM 81 CA HIS A 9 -4.113 17.434 -7.527 1.00 0.00 C ATOM 82 C HIS A 9 -2.689 17.240 -8.053 1.00 0.00 C ATOM 83 O HIS A 9 -1.843 18.121 -7.906 1.00 0.00 O ATOM 84 CB HIS A 9 -4.978 18.285 -8.458 1.00 0.00 C ATOM 85 CG HIS A 9 -4.596 19.746 -8.488 1.00 0.00 C ATOM 86 ND1 HIS A 9 -5.275 20.713 -7.767 1.00 0.00 N ATOM 87 CD2 HIS A 9 -3.599 20.393 -9.156 1.00 0.00 C ATOM 88 CE1 HIS A 9 -4.704 21.886 -8.000 1.00 0.00 C ATOM 89 NE2 HIS A 9 -3.666 21.686 -8.862 1.00 0.00 N ATOM 0 H HIS A 9 -3.138 18.312 -5.893 1.00 0.00 H new ATOM 0 HA HIS A 9 -4.585 16.452 -7.485 1.00 0.00 H new ATOM 0 HB2 HIS A 9 -4.911 17.882 -9.468 1.00 0.00 H new ATOM 0 HB3 HIS A 9 -6.020 18.199 -8.149 1.00 0.00 H new ATOM 0 HD2 HIS A 9 -2.877 19.932 -9.813 1.00 0.00 H new ATOM 0 HE1 HIS A 9 -5.007 22.834 -7.581 1.00 0.00 H new ATOM 0 HE2 HIS A 9 -3.044 22.410 -9.221 1.00 0.00 H new ATOM 97 N GLY A 10 -2.468 16.081 -8.656 1.00 0.00 N ATOM 98 CA GLY A 10 -1.162 15.760 -9.204 1.00 0.00 C ATOM 99 C GLY A 10 -0.974 14.246 -9.324 1.00 0.00 C ATOM 100 O GLY A 10 -1.928 13.518 -9.593 1.00 0.00 O ATOM 0 H GLY A 10 -3.172 15.353 -8.777 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -1.052 16.222 -10.185 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -0.383 16.177 -8.565 1.00 0.00 H new ATOM 104 N THR A 11 0.262 13.817 -9.118 1.00 0.00 N ATOM 105 CA THR A 11 0.587 12.403 -9.200 1.00 0.00 C ATOM 106 C THR A 11 1.010 11.874 -7.828 1.00 0.00 C ATOM 107 O THR A 11 1.585 12.607 -7.026 1.00 0.00 O ATOM 108 CB THR A 11 1.660 12.226 -10.277 1.00 0.00 C ATOM 109 OG1 THR A 11 0.987 12.543 -11.492 1.00 0.00 O ATOM 110 CG2 THR A 11 2.077 10.765 -10.452 1.00 0.00 C ATOM 0 H THR A 11 1.051 14.424 -8.894 1.00 0.00 H new ATOM 0 HA THR A 11 -0.283 11.813 -9.488 1.00 0.00 H new ATOM 0 HB THR A 11 2.534 12.825 -10.021 1.00 0.00 H new ATOM 0 HG1 THR A 11 1.610 12.456 -12.243 1.00 0.00 H new ATOM 0 HG21 THR A 11 2.840 10.695 -11.227 1.00 0.00 H new ATOM 0 HG22 THR A 11 2.479 10.386 -9.512 1.00 0.00 H new ATOM 0 HG23 THR A 11 1.210 10.171 -10.741 1.00 0.00 H new ATOM 118 N LEU A 12 0.709 10.603 -7.601 1.00 0.00 N ATOM 119 CA LEU A 12 1.050 9.967 -6.341 1.00 0.00 C ATOM 120 C LEU A 12 2.066 8.851 -6.597 1.00 0.00 C ATOM 121 O LEU A 12 2.021 8.192 -7.634 1.00 0.00 O ATOM 122 CB LEU A 12 -0.213 9.494 -5.619 1.00 0.00 C ATOM 123 CG LEU A 12 0.001 8.517 -4.462 1.00 0.00 C ATOM 124 CD1 LEU A 12 0.352 7.121 -4.980 1.00 0.00 C ATOM 125 CD2 LEU A 12 1.052 9.047 -3.484 1.00 0.00 C ATOM 0 H LEU A 12 0.233 9.997 -8.269 1.00 0.00 H new ATOM 0 HA LEU A 12 1.523 10.683 -5.669 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -0.738 10.369 -5.237 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -0.870 9.022 -6.350 1.00 0.00 H new ATOM 0 HG LEU A 12 -0.936 8.429 -3.912 1.00 0.00 H new ATOM 0 HD11 LEU A 12 0.499 6.446 -4.137 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -0.461 6.750 -5.605 1.00 0.00 H new ATOM 0 HD13 LEU A 12 1.268 7.171 -5.568 1.00 0.00 H new ATOM 0 HD21 LEU A 12 1.185 8.333 -2.671 1.00 0.00 H new ATOM 0 HD22 LEU A 12 1.999 9.183 -4.006 1.00 0.00 H new ATOM 0 HD23 LEU A 12 0.721 10.003 -3.077 1.00 0.00 H new ATOM 137 N GLU A 13 2.957 8.674 -5.633 1.00 0.00 N ATOM 138 CA GLU A 13 3.982 7.650 -5.740 1.00 0.00 C ATOM 139 C GLU A 13 3.905 6.694 -4.548 1.00 0.00 C ATOM 140 O GLU A 13 4.014 7.119 -3.399 1.00 0.00 O ATOM 141 CB GLU A 13 5.374 8.276 -5.852 1.00 0.00 C ATOM 142 CG GLU A 13 6.290 7.424 -6.733 1.00 0.00 C ATOM 143 CD GLU A 13 7.696 7.333 -6.136 1.00 0.00 C ATOM 144 OE1 GLU A 13 7.788 6.908 -4.964 1.00 0.00 O ATOM 145 OE2 GLU A 13 8.646 7.691 -6.864 1.00 0.00 O ATOM 0 H GLU A 13 2.990 9.223 -4.774 1.00 0.00 H new ATOM 0 HA GLU A 13 3.802 7.079 -6.651 1.00 0.00 H new ATOM 0 HB2 GLU A 13 5.293 9.280 -6.270 1.00 0.00 H new ATOM 0 HB3 GLU A 13 5.811 8.379 -4.859 1.00 0.00 H new ATOM 0 HG2 GLU A 13 5.871 6.423 -6.839 1.00 0.00 H new ATOM 0 HG3 GLU A 13 6.343 7.855 -7.733 1.00 0.00 H new ATOM 152 N VAL A 14 3.717 5.420 -4.863 1.00 0.00 N ATOM 153 CA VAL A 14 3.624 4.401 -3.832 1.00 0.00 C ATOM 154 C VAL A 14 4.856 3.497 -3.901 1.00 0.00 C ATOM 155 O VAL A 14 5.020 2.738 -4.855 1.00 0.00 O ATOM 156 CB VAL A 14 2.309 3.631 -3.974 1.00 0.00 C ATOM 157 CG1 VAL A 14 2.199 2.533 -2.915 1.00 0.00 C ATOM 158 CG2 VAL A 14 1.109 4.579 -3.909 1.00 0.00 C ATOM 0 H VAL A 14 3.627 5.071 -5.817 1.00 0.00 H new ATOM 0 HA VAL A 14 3.612 4.859 -2.843 1.00 0.00 H new ATOM 0 HB VAL A 14 2.305 3.152 -4.953 1.00 0.00 H new ATOM 0 HG11 VAL A 14 1.255 2.001 -3.039 1.00 0.00 H new ATOM 0 HG12 VAL A 14 3.027 1.833 -3.029 1.00 0.00 H new ATOM 0 HG13 VAL A 14 2.236 2.980 -1.922 1.00 0.00 H new ATOM 0 HG21 VAL A 14 0.187 4.007 -4.012 1.00 0.00 H new ATOM 0 HG22 VAL A 14 1.108 5.099 -2.951 1.00 0.00 H new ATOM 0 HG23 VAL A 14 1.176 5.307 -4.717 1.00 0.00 H new ATOM 168 N VAL A 15 5.691 3.608 -2.878 1.00 0.00 N ATOM 169 CA VAL A 15 6.903 2.810 -2.812 1.00 0.00 C ATOM 170 C VAL A 15 6.680 1.630 -1.865 1.00 0.00 C ATOM 171 O VAL A 15 6.961 1.725 -0.671 1.00 0.00 O ATOM 172 CB VAL A 15 8.086 3.690 -2.402 1.00 0.00 C ATOM 173 CG1 VAL A 15 9.385 2.882 -2.372 1.00 0.00 C ATOM 174 CG2 VAL A 15 8.215 4.901 -3.328 1.00 0.00 C ATOM 0 H VAL A 15 5.552 4.239 -2.088 1.00 0.00 H new ATOM 0 HA VAL A 15 7.144 2.399 -3.792 1.00 0.00 H new ATOM 0 HB VAL A 15 7.897 4.058 -1.394 1.00 0.00 H new ATOM 0 HG11 VAL A 15 10.210 3.531 -2.078 1.00 0.00 H new ATOM 0 HG12 VAL A 15 9.290 2.067 -1.654 1.00 0.00 H new ATOM 0 HG13 VAL A 15 9.581 2.472 -3.363 1.00 0.00 H new ATOM 0 HG21 VAL A 15 9.063 5.510 -3.015 1.00 0.00 H new ATOM 0 HG22 VAL A 15 8.371 4.561 -4.352 1.00 0.00 H new ATOM 0 HG23 VAL A 15 7.303 5.496 -3.278 1.00 0.00 H new ATOM 184 N LEU A 16 6.177 0.543 -2.433 1.00 0.00 N ATOM 185 CA LEU A 16 5.913 -0.655 -1.654 1.00 0.00 C ATOM 186 C LEU A 16 7.241 -1.287 -1.234 1.00 0.00 C ATOM 187 O LEU A 16 7.813 -2.087 -1.973 1.00 0.00 O ATOM 188 CB LEU A 16 4.996 -1.605 -2.427 1.00 0.00 C ATOM 189 CG LEU A 16 4.907 -3.035 -1.891 1.00 0.00 C ATOM 190 CD1 LEU A 16 4.030 -3.097 -0.639 1.00 0.00 C ATOM 191 CD2 LEU A 16 4.426 -3.999 -2.977 1.00 0.00 C ATOM 0 H LEU A 16 5.945 0.467 -3.423 1.00 0.00 H new ATOM 0 HA LEU A 16 5.375 -0.405 -0.739 1.00 0.00 H new ATOM 0 HB2 LEU A 16 3.992 -1.180 -2.439 1.00 0.00 H new ATOM 0 HB3 LEU A 16 5.337 -1.646 -3.461 1.00 0.00 H new ATOM 0 HG LEU A 16 5.908 -3.354 -1.599 1.00 0.00 H new ATOM 0 HD11 LEU A 16 3.983 -4.124 -0.278 1.00 0.00 H new ATOM 0 HD12 LEU A 16 4.456 -2.459 0.136 1.00 0.00 H new ATOM 0 HD13 LEU A 16 3.025 -2.751 -0.881 1.00 0.00 H new ATOM 0 HD21 LEU A 16 4.372 -5.008 -2.569 1.00 0.00 H new ATOM 0 HD22 LEU A 16 3.438 -3.694 -3.323 1.00 0.00 H new ATOM 0 HD23 LEU A 16 5.125 -3.983 -3.813 1.00 0.00 H new ATOM 203 N VAL A 17 7.693 -0.906 -0.048 1.00 0.00 N ATOM 204 CA VAL A 17 8.943 -1.427 0.479 1.00 0.00 C ATOM 205 C VAL A 17 8.775 -2.912 0.803 1.00 0.00 C ATOM 206 O VAL A 17 9.029 -3.768 -0.043 1.00 0.00 O ATOM 207 CB VAL A 17 9.387 -0.598 1.686 1.00 0.00 C ATOM 208 CG1 VAL A 17 10.490 -1.314 2.467 1.00 0.00 C ATOM 209 CG2 VAL A 17 9.839 0.799 1.256 1.00 0.00 C ATOM 0 H VAL A 17 7.216 -0.243 0.563 1.00 0.00 H new ATOM 0 HA VAL A 17 9.736 -1.344 -0.265 1.00 0.00 H new ATOM 0 HB VAL A 17 8.528 -0.483 2.347 1.00 0.00 H new ATOM 0 HG11 VAL A 17 10.787 -0.703 3.320 1.00 0.00 H new ATOM 0 HG12 VAL A 17 10.119 -2.276 2.821 1.00 0.00 H new ATOM 0 HG13 VAL A 17 11.351 -1.474 1.818 1.00 0.00 H new ATOM 0 HG21 VAL A 17 10.149 1.367 2.133 1.00 0.00 H new ATOM 0 HG22 VAL A 17 10.677 0.713 0.564 1.00 0.00 H new ATOM 0 HG23 VAL A 17 9.013 1.313 0.764 1.00 0.00 H new ATOM 219 N SER A 18 8.350 -3.173 2.030 1.00 0.00 N ATOM 220 CA SER A 18 8.146 -4.541 2.477 1.00 0.00 C ATOM 221 C SER A 18 7.168 -4.567 3.654 1.00 0.00 C ATOM 222 O SER A 18 6.649 -3.527 4.057 1.00 0.00 O ATOM 223 CB SER A 18 9.471 -5.195 2.873 1.00 0.00 C ATOM 224 OG SER A 18 9.929 -4.745 4.145 1.00 0.00 O ATOM 0 H SER A 18 8.141 -2.460 2.729 1.00 0.00 H new ATOM 0 HA SER A 18 7.724 -5.111 1.650 1.00 0.00 H new ATOM 0 HB2 SER A 18 9.349 -6.278 2.894 1.00 0.00 H new ATOM 0 HB3 SER A 18 10.225 -4.974 2.117 1.00 0.00 H new ATOM 0 HG SER A 18 10.776 -5.187 4.363 1.00 0.00 H new ATOM 230 N ALA A 19 6.947 -5.766 4.171 1.00 0.00 N ATOM 231 CA ALA A 19 6.041 -5.941 5.294 1.00 0.00 C ATOM 232 C ALA A 19 6.661 -6.916 6.297 1.00 0.00 C ATOM 233 O ALA A 19 7.394 -7.826 5.912 1.00 0.00 O ATOM 234 CB ALA A 19 4.680 -6.418 4.782 1.00 0.00 C ATOM 0 H ALA A 19 7.379 -6.626 3.833 1.00 0.00 H new ATOM 0 HA ALA A 19 5.882 -4.994 5.810 1.00 0.00 H new ATOM 0 HB1 ALA A 19 4.000 -6.549 5.624 1.00 0.00 H new ATOM 0 HB2 ALA A 19 4.269 -5.677 4.096 1.00 0.00 H new ATOM 0 HB3 ALA A 19 4.800 -7.368 4.261 1.00 0.00 H new ATOM 240 N LYS A 20 6.343 -6.693 7.564 1.00 0.00 N ATOM 241 CA LYS A 20 6.860 -7.541 8.625 1.00 0.00 C ATOM 242 C LYS A 20 5.704 -7.990 9.521 1.00 0.00 C ATOM 243 O LYS A 20 4.694 -7.296 9.632 1.00 0.00 O ATOM 244 CB LYS A 20 7.983 -6.828 9.380 1.00 0.00 C ATOM 245 CG LYS A 20 9.284 -6.846 8.574 1.00 0.00 C ATOM 246 CD LYS A 20 9.921 -5.455 8.532 1.00 0.00 C ATOM 247 CE LYS A 20 11.339 -5.520 7.959 1.00 0.00 C ATOM 248 NZ LYS A 20 12.275 -6.087 8.955 1.00 0.00 N ATOM 0 H LYS A 20 5.734 -5.938 7.880 1.00 0.00 H new ATOM 0 HA LYS A 20 7.310 -8.442 8.209 1.00 0.00 H new ATOM 0 HB2 LYS A 20 7.692 -5.798 9.584 1.00 0.00 H new ATOM 0 HB3 LYS A 20 8.142 -7.311 10.344 1.00 0.00 H new ATOM 0 HG2 LYS A 20 9.981 -7.556 9.018 1.00 0.00 H new ATOM 0 HG3 LYS A 20 9.083 -7.189 7.559 1.00 0.00 H new ATOM 0 HD2 LYS A 20 9.309 -4.789 7.924 1.00 0.00 H new ATOM 0 HD3 LYS A 20 9.950 -5.033 9.537 1.00 0.00 H new ATOM 0 HE2 LYS A 20 11.345 -6.131 7.056 1.00 0.00 H new ATOM 0 HE3 LYS A 20 11.667 -4.521 7.670 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 13.254 -5.924 8.644 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 12.123 -5.627 9.875 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 12.107 -7.109 9.047 1.00 0.00 H new ATOM 262 N GLY A 21 5.891 -9.147 10.138 1.00 0.00 N ATOM 263 CA GLY A 21 4.877 -9.697 11.022 1.00 0.00 C ATOM 264 C GLY A 21 5.286 -9.544 12.488 1.00 0.00 C ATOM 265 O GLY A 21 6.410 -9.140 12.784 1.00 0.00 O ATOM 0 H GLY A 21 6.730 -9.719 10.043 1.00 0.00 H new ATOM 0 HA2 GLY A 21 3.927 -9.191 10.851 1.00 0.00 H new ATOM 0 HA3 GLY A 21 4.722 -10.751 10.792 1.00 0.00 H new ATOM 269 N LEU A 22 4.352 -9.875 13.367 1.00 0.00 N ATOM 270 CA LEU A 22 4.601 -9.780 14.796 1.00 0.00 C ATOM 271 C LEU A 22 5.595 -10.866 15.209 1.00 0.00 C ATOM 272 O LEU A 22 6.212 -11.505 14.358 1.00 0.00 O ATOM 273 CB LEU A 22 3.284 -9.824 15.573 1.00 0.00 C ATOM 274 CG LEU A 22 2.339 -8.639 15.360 1.00 0.00 C ATOM 275 CD1 LEU A 22 3.052 -7.313 15.638 1.00 0.00 C ATOM 276 CD2 LEU A 22 1.721 -8.675 13.961 1.00 0.00 C ATOM 0 H LEU A 22 3.421 -10.209 13.118 1.00 0.00 H new ATOM 0 HA LEU A 22 5.057 -8.821 15.041 1.00 0.00 H new ATOM 0 HB2 LEU A 22 2.755 -10.738 15.302 1.00 0.00 H new ATOM 0 HB3 LEU A 22 3.515 -9.893 16.636 1.00 0.00 H new ATOM 0 HG LEU A 22 1.521 -8.721 16.075 1.00 0.00 H new ATOM 0 HD11 LEU A 22 2.359 -6.487 15.479 1.00 0.00 H new ATOM 0 HD12 LEU A 22 3.404 -7.298 16.669 1.00 0.00 H new ATOM 0 HD13 LEU A 22 3.902 -7.208 14.963 1.00 0.00 H new ATOM 0 HD21 LEU A 22 1.054 -7.822 13.836 1.00 0.00 H new ATOM 0 HD22 LEU A 22 2.512 -8.630 13.213 1.00 0.00 H new ATOM 0 HD23 LEU A 22 1.156 -9.599 13.836 1.00 0.00 H new ATOM 288 N GLU A 23 5.721 -11.042 16.516 1.00 0.00 N ATOM 289 CA GLU A 23 6.630 -12.040 17.053 1.00 0.00 C ATOM 290 C GLU A 23 5.958 -13.415 17.072 1.00 0.00 C ATOM 291 O GLU A 23 6.598 -14.426 16.786 1.00 0.00 O ATOM 292 CB GLU A 23 7.113 -11.647 18.450 1.00 0.00 C ATOM 293 CG GLU A 23 5.973 -11.048 19.276 1.00 0.00 C ATOM 294 CD GLU A 23 6.142 -11.374 20.762 1.00 0.00 C ATOM 295 OE1 GLU A 23 7.222 -11.042 21.296 1.00 0.00 O ATOM 296 OE2 GLU A 23 5.187 -11.947 21.329 1.00 0.00 O ATOM 0 H GLU A 23 5.208 -10.510 17.219 1.00 0.00 H new ATOM 0 HA GLU A 23 7.504 -12.093 16.404 1.00 0.00 H new ATOM 0 HB2 GLU A 23 7.515 -12.523 18.960 1.00 0.00 H new ATOM 0 HB3 GLU A 23 7.926 -10.925 18.368 1.00 0.00 H new ATOM 0 HG2 GLU A 23 5.948 -9.967 19.138 1.00 0.00 H new ATOM 0 HG3 GLU A 23 5.019 -11.437 18.921 1.00 0.00 H new ATOM 303 N ASP A 24 4.678 -13.408 17.412 1.00 0.00 N ATOM 304 CA ASP A 24 3.912 -14.641 17.471 1.00 0.00 C ATOM 305 C ASP A 24 2.881 -14.652 16.341 1.00 0.00 C ATOM 306 O ASP A 24 1.679 -14.717 16.594 1.00 0.00 O ATOM 307 CB ASP A 24 3.161 -14.760 18.799 1.00 0.00 C ATOM 308 CG ASP A 24 2.206 -15.951 18.897 1.00 0.00 C ATOM 309 OD1 ASP A 24 2.459 -16.942 18.179 1.00 0.00 O ATOM 310 OD2 ASP A 24 1.245 -15.844 19.689 1.00 0.00 O ATOM 0 H ASP A 24 4.152 -12.567 17.650 1.00 0.00 H new ATOM 0 HA ASP A 24 4.608 -15.475 17.374 1.00 0.00 H new ATOM 0 HB2 ASP A 24 3.890 -14.831 19.606 1.00 0.00 H new ATOM 0 HB3 ASP A 24 2.593 -13.844 18.961 1.00 0.00 H new ATOM 315 N ALA A 25 3.389 -14.587 15.119 1.00 0.00 N ATOM 316 CA ALA A 25 2.527 -14.588 13.950 1.00 0.00 C ATOM 317 C ALA A 25 3.343 -14.991 12.720 1.00 0.00 C ATOM 318 O ALA A 25 4.297 -14.306 12.352 1.00 0.00 O ATOM 319 CB ALA A 25 1.877 -13.212 13.793 1.00 0.00 C ATOM 0 H ALA A 25 4.387 -14.533 14.913 1.00 0.00 H new ATOM 0 HA ALA A 25 1.724 -15.316 14.066 1.00 0.00 H new ATOM 0 HB1 ALA A 25 1.230 -13.213 12.916 1.00 0.00 H new ATOM 0 HB2 ALA A 25 1.285 -12.986 14.680 1.00 0.00 H new ATOM 0 HB3 ALA A 25 2.652 -12.455 13.671 1.00 0.00 H new ATOM 325 N ASP A 26 2.940 -16.100 12.118 1.00 0.00 N ATOM 326 CA ASP A 26 3.622 -16.601 10.937 1.00 0.00 C ATOM 327 C ASP A 26 3.438 -15.609 9.787 1.00 0.00 C ATOM 328 O ASP A 26 4.407 -15.222 9.136 1.00 0.00 O ATOM 329 CB ASP A 26 3.044 -17.948 10.498 1.00 0.00 C ATOM 330 CG ASP A 26 1.823 -17.859 9.580 1.00 0.00 C ATOM 331 OD1 ASP A 26 0.758 -17.448 10.090 1.00 0.00 O ATOM 332 OD2 ASP A 26 1.982 -18.203 8.388 1.00 0.00 O ATOM 0 H ASP A 26 2.149 -16.666 12.426 1.00 0.00 H new ATOM 0 HA ASP A 26 4.677 -16.724 11.183 1.00 0.00 H new ATOM 0 HB2 ASP A 26 3.824 -18.512 9.987 1.00 0.00 H new ATOM 0 HB3 ASP A 26 2.771 -18.516 11.387 1.00 0.00 H new ATOM 337 N PHE A 27 2.188 -15.227 9.572 1.00 0.00 N ATOM 338 CA PHE A 27 1.864 -14.288 8.511 1.00 0.00 C ATOM 339 C PHE A 27 2.444 -14.751 7.173 1.00 0.00 C ATOM 340 O PHE A 27 2.224 -15.887 6.757 1.00 0.00 O ATOM 341 CB PHE A 27 2.498 -12.948 8.892 1.00 0.00 C ATOM 342 CG PHE A 27 1.849 -11.739 8.216 1.00 0.00 C ATOM 343 CD1 PHE A 27 0.912 -11.923 7.248 1.00 0.00 C ATOM 344 CD2 PHE A 27 2.209 -10.480 8.584 1.00 0.00 C ATOM 345 CE1 PHE A 27 0.309 -10.800 6.620 1.00 0.00 C ATOM 346 CE2 PHE A 27 1.606 -9.357 7.957 1.00 0.00 C ATOM 347 CZ PHE A 27 0.669 -9.541 6.988 1.00 0.00 C ATOM 0 H PHE A 27 1.387 -15.551 10.114 1.00 0.00 H new ATOM 0 HA PHE A 27 0.782 -14.210 8.400 1.00 0.00 H new ATOM 0 HB2 PHE A 27 2.437 -12.823 9.973 1.00 0.00 H new ATOM 0 HB3 PHE A 27 3.556 -12.972 8.633 1.00 0.00 H new ATOM 0 HD1 PHE A 27 0.626 -12.923 6.956 1.00 0.00 H new ATOM 0 HD2 PHE A 27 2.953 -10.334 9.353 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -0.435 -10.946 5.851 1.00 0.00 H new ATOM 0 HE2 PHE A 27 1.891 -8.357 8.250 1.00 0.00 H new ATOM 0 HZ PHE A 27 0.211 -8.687 6.511 1.00 0.00 H new ATOM 357 N LEU A 28 3.175 -13.847 6.537 1.00 0.00 N ATOM 358 CA LEU A 28 3.788 -14.148 5.255 1.00 0.00 C ATOM 359 C LEU A 28 4.855 -15.227 5.446 1.00 0.00 C ATOM 360 O LEU A 28 5.464 -15.682 4.478 1.00 0.00 O ATOM 361 CB LEU A 28 4.316 -12.870 4.600 1.00 0.00 C ATOM 362 CG LEU A 28 3.342 -11.691 4.548 1.00 0.00 C ATOM 363 CD1 LEU A 28 1.895 -12.179 4.460 1.00 0.00 C ATOM 364 CD2 LEU A 28 3.558 -10.749 5.734 1.00 0.00 C ATOM 0 H LEU A 28 3.356 -12.906 6.886 1.00 0.00 H new ATOM 0 HA LEU A 28 3.047 -14.550 4.564 1.00 0.00 H new ATOM 0 HB2 LEU A 28 5.210 -12.553 5.136 1.00 0.00 H new ATOM 0 HB3 LEU A 28 4.623 -13.107 3.581 1.00 0.00 H new ATOM 0 HG LEU A 28 3.545 -11.120 3.642 1.00 0.00 H new ATOM 0 HD11 LEU A 28 1.223 -11.321 4.424 1.00 0.00 H new ATOM 0 HD12 LEU A 28 1.767 -12.778 3.558 1.00 0.00 H new ATOM 0 HD13 LEU A 28 1.662 -12.786 5.335 1.00 0.00 H new ATOM 0 HD21 LEU A 28 2.853 -9.920 5.673 1.00 0.00 H new ATOM 0 HD22 LEU A 28 3.398 -11.293 6.665 1.00 0.00 H new ATOM 0 HD23 LEU A 28 4.577 -10.362 5.710 1.00 0.00 H new ATOM 376 N ASN A 29 5.050 -15.607 6.700 1.00 0.00 N ATOM 377 CA ASN A 29 6.033 -16.624 7.030 1.00 0.00 C ATOM 378 C ASN A 29 6.115 -17.638 5.888 1.00 0.00 C ATOM 379 O ASN A 29 5.188 -18.419 5.679 1.00 0.00 O ATOM 380 CB ASN A 29 5.640 -17.377 8.303 1.00 0.00 C ATOM 381 CG ASN A 29 6.392 -18.705 8.409 1.00 0.00 C ATOM 382 OD1 ASN A 29 6.012 -19.711 7.832 1.00 0.00 O ATOM 383 ND2 ASN A 29 7.478 -18.653 9.175 1.00 0.00 N ATOM 0 H ASN A 29 4.543 -15.228 7.500 1.00 0.00 H new ATOM 0 HA ASN A 29 6.992 -16.129 7.185 1.00 0.00 H new ATOM 0 HB2 ASN A 29 5.857 -16.761 9.176 1.00 0.00 H new ATOM 0 HB3 ASN A 29 4.566 -17.562 8.303 1.00 0.00 H new ATOM 0 HD21 ASN A 29 8.049 -19.488 9.308 1.00 0.00 H new ATOM 0 HD22 ASN A 29 7.740 -17.778 9.630 1.00 0.00 H new ATOM 390 N ASN A 30 7.233 -17.593 5.178 1.00 0.00 N ATOM 391 CA ASN A 30 7.448 -18.498 4.062 1.00 0.00 C ATOM 392 C ASN A 30 6.217 -18.481 3.153 1.00 0.00 C ATOM 393 O ASN A 30 5.445 -19.438 3.129 1.00 0.00 O ATOM 394 CB ASN A 30 7.655 -19.934 4.549 1.00 0.00 C ATOM 395 CG ASN A 30 8.425 -20.758 3.515 1.00 0.00 C ATOM 396 OD1 ASN A 30 8.207 -20.661 2.318 1.00 0.00 O ATOM 397 ND2 ASN A 30 9.335 -21.572 4.041 1.00 0.00 N ATOM 0 H ASN A 30 8.000 -16.944 5.354 1.00 0.00 H new ATOM 0 HA ASN A 30 8.337 -18.167 3.526 1.00 0.00 H new ATOM 0 HB2 ASN A 30 8.200 -19.927 5.493 1.00 0.00 H new ATOM 0 HB3 ASN A 30 6.688 -20.399 4.743 1.00 0.00 H new ATOM 0 HD21 ASN A 30 9.901 -22.164 3.434 1.00 0.00 H new ATOM 0 HD22 ASN A 30 9.467 -21.604 5.052 1.00 0.00 H new ATOM 404 N MET A 31 6.073 -17.382 2.426 1.00 0.00 N ATOM 405 CA MET A 31 4.950 -17.228 1.518 1.00 0.00 C ATOM 406 C MET A 31 5.345 -16.399 0.294 1.00 0.00 C ATOM 407 O MET A 31 6.482 -15.942 0.190 1.00 0.00 O ATOM 408 CB MET A 31 3.793 -16.542 2.248 1.00 0.00 C ATOM 409 CG MET A 31 3.159 -17.482 3.275 1.00 0.00 C ATOM 410 SD MET A 31 1.789 -16.671 4.081 1.00 0.00 S ATOM 411 CE MET A 31 1.387 -15.444 2.848 1.00 0.00 C ATOM 0 H MET A 31 6.716 -16.590 2.448 1.00 0.00 H new ATOM 0 HA MET A 31 4.642 -18.217 1.180 1.00 0.00 H new ATOM 0 HB2 MET A 31 4.155 -15.643 2.747 1.00 0.00 H new ATOM 0 HB3 MET A 31 3.040 -16.225 1.527 1.00 0.00 H new ATOM 0 HG2 MET A 31 2.815 -18.392 2.784 1.00 0.00 H new ATOM 0 HG3 MET A 31 3.902 -17.780 4.015 1.00 0.00 H new ATOM 0 HE1 MET A 31 0.580 -14.810 3.215 1.00 0.00 H new ATOM 0 HE2 MET A 31 2.265 -14.832 2.644 1.00 0.00 H new ATOM 0 HE3 MET A 31 1.070 -15.940 1.931 1.00 0.00 H new ATOM 421 N ASP A 32 4.383 -16.230 -0.602 1.00 0.00 N ATOM 422 CA ASP A 32 4.616 -15.464 -1.815 1.00 0.00 C ATOM 423 C ASP A 32 3.432 -14.526 -2.055 1.00 0.00 C ATOM 424 O ASP A 32 2.793 -14.583 -3.104 1.00 0.00 O ATOM 425 CB ASP A 32 4.745 -16.384 -3.031 1.00 0.00 C ATOM 426 CG ASP A 32 6.150 -16.936 -3.277 1.00 0.00 C ATOM 427 OD1 ASP A 32 6.949 -16.906 -2.316 1.00 0.00 O ATOM 428 OD2 ASP A 32 6.394 -17.377 -4.422 1.00 0.00 O ATOM 0 H ASP A 32 3.441 -16.610 -0.512 1.00 0.00 H new ATOM 0 HA ASP A 32 5.542 -14.903 -1.688 1.00 0.00 H new ATOM 0 HB2 ASP A 32 4.058 -17.221 -2.909 1.00 0.00 H new ATOM 0 HB3 ASP A 32 4.426 -15.836 -3.918 1.00 0.00 H new ATOM 433 N PRO A 33 3.168 -13.661 -1.039 1.00 0.00 N ATOM 434 CA PRO A 33 2.072 -12.712 -1.129 1.00 0.00 C ATOM 435 C PRO A 33 2.425 -11.555 -2.068 1.00 0.00 C ATOM 436 O PRO A 33 3.585 -11.385 -2.440 1.00 0.00 O ATOM 437 CB PRO A 33 1.823 -12.261 0.301 1.00 0.00 C ATOM 438 CG PRO A 33 3.082 -12.616 1.075 1.00 0.00 C ATOM 439 CD PRO A 33 3.904 -13.565 0.219 1.00 0.00 C ATOM 0 HA PRO A 33 1.170 -13.150 -1.557 1.00 0.00 H new ATOM 0 HB2 PRO A 33 1.627 -11.190 0.344 1.00 0.00 H new ATOM 0 HB3 PRO A 33 0.951 -12.762 0.722 1.00 0.00 H new ATOM 0 HG2 PRO A 33 3.654 -11.717 1.306 1.00 0.00 H new ATOM 0 HG3 PRO A 33 2.826 -13.084 2.026 1.00 0.00 H new ATOM 0 HD2 PRO A 33 4.912 -13.182 0.060 1.00 0.00 H new ATOM 0 HD3 PRO A 33 4.005 -14.541 0.694 1.00 0.00 H new ATOM 447 N TYR A 34 1.402 -10.791 -2.423 1.00 0.00 N ATOM 448 CA TYR A 34 1.590 -9.656 -3.311 1.00 0.00 C ATOM 449 C TYR A 34 0.584 -8.545 -3.000 1.00 0.00 C ATOM 450 O TYR A 34 -0.604 -8.810 -2.825 1.00 0.00 O ATOM 451 CB TYR A 34 1.332 -10.180 -4.725 1.00 0.00 C ATOM 452 CG TYR A 34 -0.049 -10.811 -4.913 1.00 0.00 C ATOM 453 CD1 TYR A 34 -0.322 -12.049 -4.368 1.00 0.00 C ATOM 454 CD2 TYR A 34 -1.022 -10.141 -5.627 1.00 0.00 C ATOM 455 CE1 TYR A 34 -1.622 -12.642 -4.545 1.00 0.00 C ATOM 456 CE2 TYR A 34 -2.322 -10.735 -5.804 1.00 0.00 C ATOM 457 CZ TYR A 34 -2.558 -11.956 -5.254 1.00 0.00 C ATOM 458 OH TYR A 34 -3.786 -12.517 -5.421 1.00 0.00 O ATOM 0 H TYR A 34 0.441 -10.935 -2.112 1.00 0.00 H new ATOM 0 HA TYR A 34 2.591 -9.239 -3.196 1.00 0.00 H new ATOM 0 HB2 TYR A 34 1.444 -9.358 -5.432 1.00 0.00 H new ATOM 0 HB3 TYR A 34 2.094 -10.919 -4.972 1.00 0.00 H new ATOM 0 HD1 TYR A 34 0.439 -12.573 -3.809 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -0.808 -9.172 -6.053 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -1.849 -13.610 -4.124 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -3.092 -10.222 -6.361 1.00 0.00 H new ATOM 0 HH TYR A 34 -3.721 -13.488 -5.304 1.00 0.00 H new ATOM 468 N VAL A 35 1.098 -7.326 -2.941 1.00 0.00 N ATOM 469 CA VAL A 35 0.260 -6.174 -2.654 1.00 0.00 C ATOM 470 C VAL A 35 -0.321 -5.633 -3.962 1.00 0.00 C ATOM 471 O VAL A 35 0.337 -5.674 -5.001 1.00 0.00 O ATOM 472 CB VAL A 35 1.059 -5.126 -1.876 1.00 0.00 C ATOM 473 CG1 VAL A 35 0.177 -3.935 -1.496 1.00 0.00 C ATOM 474 CG2 VAL A 35 1.712 -5.742 -0.638 1.00 0.00 C ATOM 0 H VAL A 35 2.084 -7.110 -3.087 1.00 0.00 H new ATOM 0 HA VAL A 35 -0.579 -6.461 -2.019 1.00 0.00 H new ATOM 0 HB VAL A 35 1.854 -4.760 -2.526 1.00 0.00 H new ATOM 0 HG11 VAL A 35 0.769 -3.205 -0.944 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -0.219 -3.472 -2.400 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -0.649 -4.278 -0.873 1.00 0.00 H new ATOM 0 HG21 VAL A 35 2.273 -4.976 -0.103 1.00 0.00 H new ATOM 0 HG22 VAL A 35 0.941 -6.149 0.016 1.00 0.00 H new ATOM 0 HG23 VAL A 35 2.388 -6.541 -0.943 1.00 0.00 H new ATOM 484 N GLN A 36 -1.546 -5.139 -3.868 1.00 0.00 N ATOM 485 CA GLN A 36 -2.223 -4.590 -5.031 1.00 0.00 C ATOM 486 C GLN A 36 -2.686 -3.159 -4.751 1.00 0.00 C ATOM 487 O GLN A 36 -3.765 -2.949 -4.200 1.00 0.00 O ATOM 488 CB GLN A 36 -3.400 -5.475 -5.449 1.00 0.00 C ATOM 489 CG GLN A 36 -4.311 -4.745 -6.438 1.00 0.00 C ATOM 490 CD GLN A 36 -5.210 -5.732 -7.186 1.00 0.00 C ATOM 491 OE1 GLN A 36 -4.866 -6.252 -8.235 1.00 0.00 O ATOM 492 NE2 GLN A 36 -6.377 -5.959 -6.590 1.00 0.00 N ATOM 0 H GLN A 36 -2.088 -5.107 -3.004 1.00 0.00 H new ATOM 0 HA GLN A 36 -1.516 -4.566 -5.860 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -3.026 -6.393 -5.903 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -3.972 -5.765 -4.568 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -4.926 -4.020 -5.905 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -3.705 -4.186 -7.152 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -6.601 -5.490 -5.712 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -7.048 -6.602 -7.010 1.00 0.00 H new ATOM 501 N LEU A 37 -1.846 -2.212 -5.142 1.00 0.00 N ATOM 502 CA LEU A 37 -2.155 -0.807 -4.939 1.00 0.00 C ATOM 503 C LEU A 37 -3.397 -0.440 -5.754 1.00 0.00 C ATOM 504 O LEU A 37 -3.480 -0.754 -6.940 1.00 0.00 O ATOM 505 CB LEU A 37 -0.935 0.061 -5.253 1.00 0.00 C ATOM 506 CG LEU A 37 0.219 -0.016 -4.251 1.00 0.00 C ATOM 507 CD1 LEU A 37 -0.203 -0.766 -2.986 1.00 0.00 C ATOM 508 CD2 LEU A 37 1.464 -0.631 -4.894 1.00 0.00 C ATOM 0 H LEU A 37 -0.951 -2.390 -5.598 1.00 0.00 H new ATOM 0 HA LEU A 37 -2.392 -0.616 -3.892 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -0.556 -0.221 -6.235 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -1.261 1.099 -5.323 1.00 0.00 H new ATOM 0 HG LEU A 37 0.480 0.999 -3.952 1.00 0.00 H new ATOM 0 HD11 LEU A 37 0.635 -0.807 -2.290 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -1.039 -0.247 -2.517 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -0.506 -1.780 -3.248 1.00 0.00 H new ATOM 0 HD21 LEU A 37 2.269 -0.674 -4.160 1.00 0.00 H new ATOM 0 HD22 LEU A 37 1.235 -1.639 -5.240 1.00 0.00 H new ATOM 0 HD23 LEU A 37 1.777 -0.019 -5.740 1.00 0.00 H new ATOM 520 N THR A 38 -4.331 0.219 -5.084 1.00 0.00 N ATOM 521 CA THR A 38 -5.564 0.632 -5.731 1.00 0.00 C ATOM 522 C THR A 38 -5.819 2.122 -5.492 1.00 0.00 C ATOM 523 O THR A 38 -5.606 2.623 -4.389 1.00 0.00 O ATOM 524 CB THR A 38 -6.691 -0.267 -5.219 1.00 0.00 C ATOM 525 OG1 THR A 38 -6.248 -1.586 -5.521 1.00 0.00 O ATOM 526 CG2 THR A 38 -7.979 -0.111 -6.030 1.00 0.00 C ATOM 0 H THR A 38 -4.258 0.477 -4.100 1.00 0.00 H new ATOM 0 HA THR A 38 -5.501 0.515 -6.813 1.00 0.00 H new ATOM 0 HB THR A 38 -6.891 -0.037 -4.173 1.00 0.00 H new ATOM 0 HG1 THR A 38 -6.920 -2.233 -5.221 1.00 0.00 H new ATOM 0 HG21 THR A 38 -8.746 -0.771 -5.625 1.00 0.00 H new ATOM 0 HG22 THR A 38 -8.322 0.922 -5.973 1.00 0.00 H new ATOM 0 HG23 THR A 38 -7.788 -0.373 -7.071 1.00 0.00 H new ATOM 534 N CYS A 39 -6.271 2.788 -6.545 1.00 0.00 N ATOM 535 CA CYS A 39 -6.557 4.211 -6.463 1.00 0.00 C ATOM 536 C CYS A 39 -7.802 4.499 -7.304 1.00 0.00 C ATOM 537 O CYS A 39 -7.784 4.336 -8.523 1.00 0.00 O ATOM 538 CB CYS A 39 -5.360 5.055 -6.907 1.00 0.00 C ATOM 539 SG CYS A 39 -5.798 6.831 -6.868 1.00 0.00 S ATOM 0 H CYS A 39 -6.446 2.369 -7.458 1.00 0.00 H new ATOM 0 HA CYS A 39 -6.748 4.488 -5.426 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -4.509 4.867 -6.252 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -5.056 4.769 -7.914 1.00 0.00 H new ATOM 0 HG CYS A 39 -7.063 6.960 -6.596 1.00 0.00 H new ATOM 545 N ARG A 40 -8.854 4.923 -6.619 1.00 0.00 N ATOM 546 CA ARG A 40 -10.106 5.236 -7.287 1.00 0.00 C ATOM 547 C ARG A 40 -10.593 4.030 -8.093 1.00 0.00 C ATOM 548 O ARG A 40 -11.374 3.221 -7.596 1.00 0.00 O ATOM 549 CB ARG A 40 -9.946 6.435 -8.223 1.00 0.00 C ATOM 550 CG ARG A 40 -10.530 7.702 -7.595 1.00 0.00 C ATOM 551 CD ARG A 40 -9.570 8.884 -7.751 1.00 0.00 C ATOM 552 NE ARG A 40 -10.233 9.981 -8.491 1.00 0.00 N ATOM 553 CZ ARG A 40 -11.368 10.574 -8.097 1.00 0.00 C ATOM 554 NH1 ARG A 40 -11.973 10.179 -6.968 1.00 0.00 N ATOM 555 NH2 ARG A 40 -11.898 11.561 -8.831 1.00 0.00 N ATOM 0 H ARG A 40 -8.865 5.057 -5.608 1.00 0.00 H new ATOM 0 HA ARG A 40 -10.839 5.484 -6.519 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -8.890 6.589 -8.446 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -10.445 6.231 -9.170 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -11.484 7.939 -8.066 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -10.731 7.529 -6.538 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -9.252 9.237 -6.770 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -8.673 8.567 -8.282 1.00 0.00 H new ATOM 0 HE ARG A 40 -9.799 10.306 -9.355 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -11.569 9.427 -6.409 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -12.837 10.630 -6.668 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -11.438 11.861 -9.690 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -12.762 12.012 -8.531 1.00 0.00 H new ATOM 569 N THR A 41 -10.111 3.948 -9.325 1.00 0.00 N ATOM 570 CA THR A 41 -10.488 2.855 -10.205 1.00 0.00 C ATOM 571 C THR A 41 -9.261 2.323 -10.949 1.00 0.00 C ATOM 572 O THR A 41 -9.350 1.968 -12.124 1.00 0.00 O ATOM 573 CB THR A 41 -11.594 3.356 -11.135 1.00 0.00 C ATOM 574 OG1 THR A 41 -11.029 4.508 -11.756 1.00 0.00 O ATOM 575 CG2 THR A 41 -12.802 3.900 -10.370 1.00 0.00 C ATOM 0 H THR A 41 -9.463 4.621 -9.734 1.00 0.00 H new ATOM 0 HA THR A 41 -10.879 2.009 -9.640 1.00 0.00 H new ATOM 0 HB THR A 41 -11.914 2.544 -11.788 1.00 0.00 H new ATOM 0 HG1 THR A 41 -11.679 4.896 -12.378 1.00 0.00 H new ATOM 0 HG21 THR A 41 -13.557 4.242 -11.078 1.00 0.00 H new ATOM 0 HG22 THR A 41 -13.222 3.112 -9.745 1.00 0.00 H new ATOM 0 HG23 THR A 41 -12.489 4.734 -9.742 1.00 0.00 H new ATOM 583 N GLN A 42 -8.146 2.285 -10.236 1.00 0.00 N ATOM 584 CA GLN A 42 -6.903 1.803 -10.814 1.00 0.00 C ATOM 585 C GLN A 42 -6.147 0.938 -9.803 1.00 0.00 C ATOM 586 O GLN A 42 -5.693 1.435 -8.774 1.00 0.00 O ATOM 587 CB GLN A 42 -6.036 2.967 -11.298 1.00 0.00 C ATOM 588 CG GLN A 42 -5.352 3.666 -10.122 1.00 0.00 C ATOM 589 CD GLN A 42 -5.193 5.164 -10.391 1.00 0.00 C ATOM 590 OE1 GLN A 42 -4.330 5.599 -11.136 1.00 0.00 O ATOM 591 NE2 GLN A 42 -6.073 5.926 -9.747 1.00 0.00 N ATOM 0 H GLN A 42 -8.077 2.580 -9.262 1.00 0.00 H new ATOM 0 HA GLN A 42 -7.143 1.187 -11.681 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -5.283 2.599 -11.995 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -6.652 3.682 -11.843 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -5.937 3.516 -9.215 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -4.374 3.218 -9.948 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -6.770 5.497 -9.138 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -6.051 6.939 -9.862 1.00 0.00 H new ATOM 600 N ASP A 43 -6.036 -0.340 -10.133 1.00 0.00 N ATOM 601 CA ASP A 43 -5.343 -1.278 -9.266 1.00 0.00 C ATOM 602 C ASP A 43 -4.045 -1.726 -9.941 1.00 0.00 C ATOM 603 O ASP A 43 -3.940 -1.707 -11.167 1.00 0.00 O ATOM 604 CB ASP A 43 -6.195 -2.523 -9.008 1.00 0.00 C ATOM 605 CG ASP A 43 -6.924 -3.073 -10.236 1.00 0.00 C ATOM 606 OD1 ASP A 43 -7.973 -2.489 -10.582 1.00 0.00 O ATOM 607 OD2 ASP A 43 -6.416 -4.066 -10.800 1.00 0.00 O ATOM 0 H ASP A 43 -6.414 -0.748 -10.988 1.00 0.00 H new ATOM 0 HA ASP A 43 -5.141 -0.776 -8.320 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -5.554 -3.306 -8.604 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -6.933 -2.287 -8.241 1.00 0.00 H new ATOM 612 N GLN A 44 -3.089 -2.118 -9.112 1.00 0.00 N ATOM 613 CA GLN A 44 -1.802 -2.569 -9.613 1.00 0.00 C ATOM 614 C GLN A 44 -1.165 -3.553 -8.629 1.00 0.00 C ATOM 615 O GLN A 44 -0.940 -3.217 -7.468 1.00 0.00 O ATOM 616 CB GLN A 44 -0.873 -1.384 -9.884 1.00 0.00 C ATOM 617 CG GLN A 44 -1.388 -0.539 -11.050 1.00 0.00 C ATOM 618 CD GLN A 44 -0.474 0.663 -11.301 1.00 0.00 C ATOM 619 OE1 GLN A 44 0.735 0.543 -11.416 1.00 0.00 O ATOM 620 NE2 GLN A 44 -1.117 1.824 -11.381 1.00 0.00 N ATOM 0 H GLN A 44 -3.180 -2.133 -8.096 1.00 0.00 H new ATOM 0 HA GLN A 44 -1.963 -3.085 -10.560 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -0.795 -0.766 -8.989 1.00 0.00 H new ATOM 0 HB3 GLN A 44 0.130 -1.747 -10.109 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -1.445 -1.151 -11.950 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -2.399 -0.193 -10.835 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -2.131 1.854 -11.275 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -0.596 2.685 -11.548 1.00 0.00 H new ATOM 629 N LYS A 45 -0.891 -4.748 -9.131 1.00 0.00 N ATOM 630 CA LYS A 45 -0.284 -5.783 -8.311 1.00 0.00 C ATOM 631 C LYS A 45 1.240 -5.681 -8.415 1.00 0.00 C ATOM 632 O LYS A 45 1.764 -5.142 -9.388 1.00 0.00 O ATOM 633 CB LYS A 45 -0.836 -7.159 -8.689 1.00 0.00 C ATOM 634 CG LYS A 45 -2.164 -7.430 -7.980 1.00 0.00 C ATOM 635 CD LYS A 45 -2.995 -8.459 -8.749 1.00 0.00 C ATOM 636 CE LYS A 45 -3.479 -7.887 -10.083 1.00 0.00 C ATOM 637 NZ LYS A 45 -3.138 -8.804 -11.194 1.00 0.00 N ATOM 0 H LYS A 45 -1.078 -5.023 -10.095 1.00 0.00 H new ATOM 0 HA LYS A 45 -0.543 -5.639 -7.262 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -0.978 -7.214 -9.768 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -0.113 -7.930 -8.423 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -1.974 -7.792 -6.970 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -2.726 -6.501 -7.885 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -2.398 -9.353 -8.928 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -3.852 -8.763 -8.147 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -4.557 -7.732 -10.049 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -3.022 -6.912 -10.255 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -3.473 -8.401 -12.092 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -2.107 -8.931 -11.235 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -3.594 -9.725 -11.036 1.00 0.00 H new ATOM 651 N SER A 46 1.906 -6.209 -7.399 1.00 0.00 N ATOM 652 CA SER A 46 3.359 -6.184 -7.364 1.00 0.00 C ATOM 653 C SER A 46 3.910 -7.601 -7.535 1.00 0.00 C ATOM 654 O SER A 46 3.188 -8.579 -7.345 1.00 0.00 O ATOM 655 CB SER A 46 3.868 -5.571 -6.058 1.00 0.00 C ATOM 656 OG SER A 46 5.191 -5.059 -6.189 1.00 0.00 O ATOM 0 H SER A 46 1.467 -6.656 -6.594 1.00 0.00 H new ATOM 0 HA SER A 46 3.711 -5.562 -8.187 1.00 0.00 H new ATOM 0 HB2 SER A 46 3.198 -4.769 -5.749 1.00 0.00 H new ATOM 0 HB3 SER A 46 3.847 -6.325 -5.271 1.00 0.00 H new ATOM 0 HG SER A 46 5.829 -5.703 -5.816 1.00 0.00 H new ATOM 662 N ASN A 47 5.185 -7.667 -7.891 1.00 0.00 N ATOM 663 CA ASN A 47 5.841 -8.948 -8.090 1.00 0.00 C ATOM 664 C ASN A 47 5.542 -9.860 -6.898 1.00 0.00 C ATOM 665 O ASN A 47 5.239 -9.381 -5.807 1.00 0.00 O ATOM 666 CB ASN A 47 7.359 -8.780 -8.188 1.00 0.00 C ATOM 667 CG ASN A 47 7.729 -7.760 -9.267 1.00 0.00 C ATOM 668 OD1 ASN A 47 6.927 -7.387 -10.106 1.00 0.00 O ATOM 669 ND2 ASN A 47 8.987 -7.333 -9.198 1.00 0.00 N ATOM 0 H ASN A 47 5.781 -6.854 -8.047 1.00 0.00 H new ATOM 0 HA ASN A 47 5.465 -9.379 -9.018 1.00 0.00 H new ATOM 0 HB2 ASN A 47 7.756 -8.457 -7.226 1.00 0.00 H new ATOM 0 HB3 ASN A 47 7.821 -9.740 -8.417 1.00 0.00 H new ATOM 0 HD21 ASN A 47 9.332 -6.652 -9.874 1.00 0.00 H new ATOM 0 HD22 ASN A 47 9.606 -7.687 -8.469 1.00 0.00 H new ATOM 676 N VAL A 48 5.637 -11.157 -7.149 1.00 0.00 N ATOM 677 CA VAL A 48 5.381 -12.141 -6.110 1.00 0.00 C ATOM 678 C VAL A 48 6.628 -12.290 -5.236 1.00 0.00 C ATOM 679 O VAL A 48 7.728 -12.495 -5.747 1.00 0.00 O ATOM 680 CB VAL A 48 4.930 -13.460 -6.739 1.00 0.00 C ATOM 681 CG1 VAL A 48 5.152 -14.630 -5.777 1.00 0.00 C ATOM 682 CG2 VAL A 48 3.468 -13.385 -7.183 1.00 0.00 C ATOM 0 H VAL A 48 5.888 -11.550 -8.056 1.00 0.00 H new ATOM 0 HA VAL A 48 4.569 -11.811 -5.463 1.00 0.00 H new ATOM 0 HB VAL A 48 5.540 -13.634 -7.625 1.00 0.00 H new ATOM 0 HG11 VAL A 48 4.823 -15.556 -6.248 1.00 0.00 H new ATOM 0 HG12 VAL A 48 6.212 -14.704 -5.532 1.00 0.00 H new ATOM 0 HG13 VAL A 48 4.580 -14.464 -4.864 1.00 0.00 H new ATOM 0 HG21 VAL A 48 3.173 -14.336 -7.627 1.00 0.00 H new ATOM 0 HG22 VAL A 48 2.836 -13.176 -6.320 1.00 0.00 H new ATOM 0 HG23 VAL A 48 3.352 -12.590 -7.919 1.00 0.00 H new ATOM 692 N ALA A 49 6.414 -12.181 -3.933 1.00 0.00 N ATOM 693 CA ALA A 49 7.507 -12.302 -2.983 1.00 0.00 C ATOM 694 C ALA A 49 7.983 -13.755 -2.941 1.00 0.00 C ATOM 695 O ALA A 49 7.665 -14.489 -2.006 1.00 0.00 O ATOM 696 CB ALA A 49 7.050 -11.798 -1.612 1.00 0.00 C ATOM 0 H ALA A 49 5.500 -12.010 -3.513 1.00 0.00 H new ATOM 0 HA ALA A 49 8.353 -11.687 -3.291 1.00 0.00 H new ATOM 0 HB1 ALA A 49 7.870 -11.889 -0.899 1.00 0.00 H new ATOM 0 HB2 ALA A 49 6.751 -10.753 -1.690 1.00 0.00 H new ATOM 0 HB3 ALA A 49 6.204 -12.393 -1.269 1.00 0.00 H new ATOM 702 N GLU A 50 8.737 -14.127 -3.965 1.00 0.00 N ATOM 703 CA GLU A 50 9.260 -15.480 -4.057 1.00 0.00 C ATOM 704 C GLU A 50 10.317 -15.715 -2.976 1.00 0.00 C ATOM 705 O GLU A 50 11.318 -15.002 -2.917 1.00 0.00 O ATOM 706 CB GLU A 50 9.829 -15.754 -5.450 1.00 0.00 C ATOM 707 CG GLU A 50 8.716 -15.794 -6.499 1.00 0.00 C ATOM 708 CD GLU A 50 9.287 -15.650 -7.911 1.00 0.00 C ATOM 709 OE1 GLU A 50 9.701 -14.518 -8.243 1.00 0.00 O ATOM 710 OE2 GLU A 50 9.297 -16.674 -8.627 1.00 0.00 O ATOM 0 H GLU A 50 8.998 -13.515 -4.738 1.00 0.00 H new ATOM 0 HA GLU A 50 8.439 -16.178 -3.892 1.00 0.00 H new ATOM 0 HB2 GLU A 50 10.551 -14.980 -5.710 1.00 0.00 H new ATOM 0 HB3 GLU A 50 10.365 -16.703 -5.447 1.00 0.00 H new ATOM 0 HG2 GLU A 50 8.169 -16.733 -6.418 1.00 0.00 H new ATOM 0 HG3 GLU A 50 8.003 -14.992 -6.308 1.00 0.00 H new ATOM 717 N GLY A 51 10.060 -16.717 -2.149 1.00 0.00 N ATOM 718 CA GLY A 51 10.977 -17.055 -1.074 1.00 0.00 C ATOM 719 C GLY A 51 11.564 -15.793 -0.438 1.00 0.00 C ATOM 720 O GLY A 51 12.709 -15.434 -0.706 1.00 0.00 O ATOM 0 H GLY A 51 9.229 -17.306 -2.202 1.00 0.00 H new ATOM 0 HA2 GLY A 51 10.455 -17.640 -0.316 1.00 0.00 H new ATOM 0 HA3 GLY A 51 11.782 -17.680 -1.461 1.00 0.00 H new ATOM 724 N MET A 52 10.752 -15.156 0.393 1.00 0.00 N ATOM 725 CA MET A 52 11.177 -13.942 1.070 1.00 0.00 C ATOM 726 C MET A 52 11.242 -14.153 2.584 1.00 0.00 C ATOM 727 O MET A 52 12.068 -13.546 3.264 1.00 0.00 O ATOM 728 CB MET A 52 10.196 -12.811 0.754 1.00 0.00 C ATOM 729 CG MET A 52 10.264 -12.424 -0.725 1.00 0.00 C ATOM 730 SD MET A 52 11.880 -11.773 -1.113 1.00 0.00 S ATOM 731 CE MET A 52 11.489 -10.821 -2.571 1.00 0.00 C ATOM 0 H MET A 52 9.803 -15.457 0.613 1.00 0.00 H new ATOM 0 HA MET A 52 12.174 -13.680 0.715 1.00 0.00 H new ATOM 0 HB2 MET A 52 9.182 -13.123 1.006 1.00 0.00 H new ATOM 0 HB3 MET A 52 10.425 -11.943 1.372 1.00 0.00 H new ATOM 0 HG2 MET A 52 10.055 -13.294 -1.347 1.00 0.00 H new ATOM 0 HG3 MET A 52 9.500 -11.680 -0.950 1.00 0.00 H new ATOM 0 HE1 MET A 52 11.912 -9.821 -2.477 1.00 0.00 H new ATOM 0 HE2 MET A 52 11.909 -11.311 -3.449 1.00 0.00 H new ATOM 0 HE3 MET A 52 10.407 -10.749 -2.679 1.00 0.00 H new ATOM 741 N GLY A 53 10.360 -15.015 3.068 1.00 0.00 N ATOM 742 CA GLY A 53 10.307 -15.313 4.489 1.00 0.00 C ATOM 743 C GLY A 53 9.152 -14.569 5.163 1.00 0.00 C ATOM 744 O GLY A 53 8.090 -14.395 4.568 1.00 0.00 O ATOM 0 H GLY A 53 9.676 -15.517 2.501 1.00 0.00 H new ATOM 0 HA2 GLY A 53 10.187 -16.387 4.635 1.00 0.00 H new ATOM 0 HA3 GLY A 53 11.249 -15.031 4.959 1.00 0.00 H new ATOM 748 N THR A 54 9.400 -14.150 6.395 1.00 0.00 N ATOM 749 CA THR A 54 8.394 -13.428 7.156 1.00 0.00 C ATOM 750 C THR A 54 8.449 -11.934 6.831 1.00 0.00 C ATOM 751 O THR A 54 7.796 -11.127 7.490 1.00 0.00 O ATOM 752 CB THR A 54 8.613 -13.735 8.639 1.00 0.00 C ATOM 753 OG1 THR A 54 10.025 -13.638 8.809 1.00 0.00 O ATOM 754 CG2 THR A 54 8.295 -15.191 8.989 1.00 0.00 C ATOM 0 H THR A 54 10.282 -14.296 6.885 1.00 0.00 H new ATOM 0 HA THR A 54 7.388 -13.750 6.887 1.00 0.00 H new ATOM 0 HB THR A 54 7.992 -13.073 9.242 1.00 0.00 H new ATOM 0 HG1 THR A 54 10.255 -13.821 9.744 1.00 0.00 H new ATOM 0 HG21 THR A 54 8.467 -15.355 10.053 1.00 0.00 H new ATOM 0 HG22 THR A 54 7.252 -15.402 8.753 1.00 0.00 H new ATOM 0 HG23 THR A 54 8.939 -15.853 8.411 1.00 0.00 H new ATOM 762 N THR A 55 9.236 -11.611 5.815 1.00 0.00 N ATOM 763 CA THR A 55 9.385 -10.228 5.394 1.00 0.00 C ATOM 764 C THR A 55 9.449 -10.140 3.868 1.00 0.00 C ATOM 765 O THR A 55 10.533 -10.048 3.293 1.00 0.00 O ATOM 766 CB THR A 55 10.620 -9.653 6.089 1.00 0.00 C ATOM 767 OG1 THR A 55 11.619 -10.653 5.904 1.00 0.00 O ATOM 768 CG2 THR A 55 10.452 -9.569 7.607 1.00 0.00 C ATOM 0 H THR A 55 9.777 -12.283 5.271 1.00 0.00 H new ATOM 0 HA THR A 55 8.522 -9.630 5.687 1.00 0.00 H new ATOM 0 HB THR A 55 10.830 -8.660 5.692 1.00 0.00 H new ATOM 0 HG1 THR A 55 11.784 -10.777 4.946 1.00 0.00 H new ATOM 0 HG21 THR A 55 11.357 -9.154 8.051 1.00 0.00 H new ATOM 0 HG22 THR A 55 9.604 -8.926 7.844 1.00 0.00 H new ATOM 0 HG23 THR A 55 10.275 -10.566 8.009 1.00 0.00 H new ATOM 776 N PRO A 56 8.244 -10.170 3.239 1.00 0.00 N ATOM 777 CA PRO A 56 8.153 -10.094 1.791 1.00 0.00 C ATOM 778 C PRO A 56 8.412 -8.668 1.299 1.00 0.00 C ATOM 779 O PRO A 56 7.538 -7.808 1.391 1.00 0.00 O ATOM 780 CB PRO A 56 6.756 -10.592 1.457 1.00 0.00 C ATOM 781 CG PRO A 56 5.958 -10.489 2.747 1.00 0.00 C ATOM 782 CD PRO A 56 6.940 -10.277 3.887 1.00 0.00 C ATOM 0 HA PRO A 56 8.908 -10.700 1.290 1.00 0.00 H new ATOM 0 HB2 PRO A 56 6.304 -9.989 0.669 1.00 0.00 H new ATOM 0 HB3 PRO A 56 6.784 -11.620 1.096 1.00 0.00 H new ATOM 0 HG2 PRO A 56 5.251 -9.661 2.693 1.00 0.00 H new ATOM 0 HG3 PRO A 56 5.375 -11.396 2.909 1.00 0.00 H new ATOM 0 HD2 PRO A 56 6.703 -9.375 4.451 1.00 0.00 H new ATOM 0 HD3 PRO A 56 6.915 -11.109 4.591 1.00 0.00 H new ATOM 790 N GLU A 57 9.617 -8.463 0.788 1.00 0.00 N ATOM 791 CA GLU A 57 10.002 -7.156 0.282 1.00 0.00 C ATOM 792 C GLU A 57 9.751 -7.075 -1.225 1.00 0.00 C ATOM 793 O GLU A 57 9.817 -8.085 -1.924 1.00 0.00 O ATOM 794 CB GLU A 57 11.465 -6.850 0.611 1.00 0.00 C ATOM 795 CG GLU A 57 11.821 -5.410 0.236 1.00 0.00 C ATOM 796 CD GLU A 57 12.717 -4.772 1.300 1.00 0.00 C ATOM 797 OE1 GLU A 57 12.918 -5.432 2.343 1.00 0.00 O ATOM 798 OE2 GLU A 57 13.180 -3.639 1.047 1.00 0.00 O ATOM 0 H GLU A 57 10.339 -9.179 0.713 1.00 0.00 H new ATOM 0 HA GLU A 57 9.387 -6.402 0.774 1.00 0.00 H new ATOM 0 HB2 GLU A 57 11.643 -7.007 1.675 1.00 0.00 H new ATOM 0 HB3 GLU A 57 12.115 -7.541 0.074 1.00 0.00 H new ATOM 0 HG2 GLU A 57 12.329 -5.397 -0.728 1.00 0.00 H new ATOM 0 HG3 GLU A 57 10.909 -4.823 0.124 1.00 0.00 H new ATOM 805 N TRP A 58 9.466 -5.864 -1.681 1.00 0.00 N ATOM 806 CA TRP A 58 9.204 -5.639 -3.092 1.00 0.00 C ATOM 807 C TRP A 58 10.137 -4.526 -3.574 1.00 0.00 C ATOM 808 O TRP A 58 10.842 -4.689 -4.569 1.00 0.00 O ATOM 809 CB TRP A 58 7.726 -5.325 -3.332 1.00 0.00 C ATOM 810 CG TRP A 58 6.772 -6.424 -2.859 1.00 0.00 C ATOM 811 CD1 TRP A 58 6.296 -7.461 -3.561 1.00 0.00 C ATOM 812 CD2 TRP A 58 6.195 -6.553 -1.543 1.00 0.00 C ATOM 813 NE1 TRP A 58 5.457 -8.246 -2.797 1.00 0.00 N ATOM 814 CE2 TRP A 58 5.393 -7.677 -1.531 1.00 0.00 C ATOM 815 CE3 TRP A 58 6.345 -5.748 -0.401 1.00 0.00 C ATOM 816 CZ2 TRP A 58 4.679 -8.096 -0.402 1.00 0.00 C ATOM 817 CZ3 TRP A 58 5.624 -6.181 0.719 1.00 0.00 C ATOM 818 CH2 TRP A 58 4.813 -7.309 0.748 1.00 0.00 C ATOM 0 H TRP A 58 9.411 -5.029 -1.098 1.00 0.00 H new ATOM 0 HA TRP A 58 9.408 -6.540 -3.671 1.00 0.00 H new ATOM 0 HB2 TRP A 58 7.475 -4.395 -2.821 1.00 0.00 H new ATOM 0 HB3 TRP A 58 7.569 -5.156 -4.397 1.00 0.00 H new ATOM 0 HD1 TRP A 58 6.538 -7.658 -4.595 1.00 0.00 H new ATOM 0 HE1 TRP A 58 4.973 -9.089 -3.105 1.00 0.00 H new ATOM 0 HE3 TRP A 58 6.967 -4.865 -0.388 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 4.058 -8.979 -0.417 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 5.704 -5.597 1.624 1.00 0.00 H new ATOM 0 HH2 TRP A 58 4.289 -7.577 1.653 1.00 0.00 H new ATOM 829 N ASN A 59 10.112 -3.419 -2.846 1.00 0.00 N ATOM 830 CA ASN A 59 10.946 -2.280 -3.187 1.00 0.00 C ATOM 831 C ASN A 59 10.564 -1.771 -4.579 1.00 0.00 C ATOM 832 O ASN A 59 11.430 -1.377 -5.359 1.00 0.00 O ATOM 833 CB ASN A 59 12.426 -2.669 -3.216 1.00 0.00 C ATOM 834 CG ASN A 59 13.048 -2.562 -1.823 1.00 0.00 C ATOM 835 OD1 ASN A 59 13.041 -1.519 -1.190 1.00 0.00 O ATOM 836 ND2 ASN A 59 13.587 -3.695 -1.382 1.00 0.00 N ATOM 0 H ASN A 59 9.527 -3.287 -2.021 1.00 0.00 H new ATOM 0 HA ASN A 59 10.790 -1.511 -2.431 1.00 0.00 H new ATOM 0 HB2 ASN A 59 12.531 -3.688 -3.588 1.00 0.00 H new ATOM 0 HB3 ASN A 59 12.963 -2.021 -3.909 1.00 0.00 H new ATOM 0 HD21 ASN A 59 14.029 -3.726 -0.463 1.00 0.00 H new ATOM 0 HD22 ASN A 59 13.559 -4.533 -1.963 1.00 0.00 H new ATOM 843 N GLU A 60 9.267 -1.796 -4.847 1.00 0.00 N ATOM 844 CA GLU A 60 8.760 -1.342 -6.131 1.00 0.00 C ATOM 845 C GLU A 60 8.293 0.112 -6.033 1.00 0.00 C ATOM 846 O GLU A 60 8.480 0.760 -5.005 1.00 0.00 O ATOM 847 CB GLU A 60 7.630 -2.248 -6.625 1.00 0.00 C ATOM 848 CG GLU A 60 8.181 -3.400 -7.469 1.00 0.00 C ATOM 849 CD GLU A 60 8.119 -3.066 -8.961 1.00 0.00 C ATOM 850 OE1 GLU A 60 6.998 -2.775 -9.431 1.00 0.00 O ATOM 851 OE2 GLU A 60 9.194 -3.109 -9.597 1.00 0.00 O ATOM 0 H GLU A 60 8.552 -2.123 -4.197 1.00 0.00 H new ATOM 0 HA GLU A 60 9.569 -1.395 -6.859 1.00 0.00 H new ATOM 0 HB2 GLU A 60 7.080 -2.647 -5.773 1.00 0.00 H new ATOM 0 HB3 GLU A 60 6.923 -1.665 -7.216 1.00 0.00 H new ATOM 0 HG2 GLU A 60 9.212 -3.605 -7.181 1.00 0.00 H new ATOM 0 HG3 GLU A 60 7.608 -4.306 -7.272 1.00 0.00 H new ATOM 858 N THR A 61 7.695 0.582 -7.118 1.00 0.00 N ATOM 859 CA THR A 61 7.201 1.947 -7.168 1.00 0.00 C ATOM 860 C THR A 61 6.012 2.049 -8.126 1.00 0.00 C ATOM 861 O THR A 61 6.132 1.724 -9.306 1.00 0.00 O ATOM 862 CB THR A 61 8.368 2.859 -7.549 1.00 0.00 C ATOM 863 OG1 THR A 61 9.123 2.978 -6.346 1.00 0.00 O ATOM 864 CG2 THR A 61 7.919 4.291 -7.850 1.00 0.00 C ATOM 0 H THR A 61 7.542 0.041 -7.969 1.00 0.00 H new ATOM 0 HA THR A 61 6.824 2.267 -6.197 1.00 0.00 H new ATOM 0 HB THR A 61 8.879 2.449 -8.420 1.00 0.00 H new ATOM 0 HG1 THR A 61 8.723 2.414 -5.652 1.00 0.00 H new ATOM 0 HG21 THR A 61 8.786 4.896 -8.115 1.00 0.00 H new ATOM 0 HG22 THR A 61 7.214 4.284 -8.681 1.00 0.00 H new ATOM 0 HG23 THR A 61 7.437 4.714 -6.969 1.00 0.00 H new ATOM 872 N PHE A 62 4.892 2.502 -7.582 1.00 0.00 N ATOM 873 CA PHE A 62 3.683 2.651 -8.374 1.00 0.00 C ATOM 874 C PHE A 62 3.229 4.112 -8.413 1.00 0.00 C ATOM 875 O PHE A 62 3.355 4.831 -7.423 1.00 0.00 O ATOM 876 CB PHE A 62 2.598 1.810 -7.697 1.00 0.00 C ATOM 877 CG PHE A 62 2.992 0.349 -7.474 1.00 0.00 C ATOM 878 CD1 PHE A 62 3.820 0.017 -6.447 1.00 0.00 C ATOM 879 CD2 PHE A 62 2.515 -0.618 -8.302 1.00 0.00 C ATOM 880 CE1 PHE A 62 4.185 -1.340 -6.240 1.00 0.00 C ATOM 881 CE2 PHE A 62 2.880 -1.975 -8.095 1.00 0.00 C ATOM 882 CZ PHE A 62 3.708 -2.307 -7.068 1.00 0.00 C ATOM 0 H PHE A 62 4.796 2.771 -6.603 1.00 0.00 H new ATOM 0 HA PHE A 62 3.868 2.329 -9.399 1.00 0.00 H new ATOM 0 HB2 PHE A 62 2.351 2.260 -6.735 1.00 0.00 H new ATOM 0 HB3 PHE A 62 1.694 1.843 -8.306 1.00 0.00 H new ATOM 0 HD1 PHE A 62 4.200 0.785 -5.789 1.00 0.00 H new ATOM 0 HD2 PHE A 62 1.858 -0.354 -9.118 1.00 0.00 H new ATOM 0 HE1 PHE A 62 4.842 -1.604 -5.424 1.00 0.00 H new ATOM 0 HE2 PHE A 62 2.500 -2.743 -8.753 1.00 0.00 H new ATOM 0 HZ PHE A 62 3.986 -3.339 -6.910 1.00 0.00 H new ATOM 892 N ILE A 63 2.711 4.507 -9.566 1.00 0.00 N ATOM 893 CA ILE A 63 2.238 5.869 -9.747 1.00 0.00 C ATOM 894 C ILE A 63 0.724 5.853 -9.964 1.00 0.00 C ATOM 895 O ILE A 63 0.184 4.908 -10.536 1.00 0.00 O ATOM 896 CB ILE A 63 3.014 6.560 -10.870 1.00 0.00 C ATOM 897 CG1 ILE A 63 4.508 6.243 -10.781 1.00 0.00 C ATOM 898 CG2 ILE A 63 2.747 8.067 -10.873 1.00 0.00 C ATOM 899 CD1 ILE A 63 5.129 6.871 -9.532 1.00 0.00 C ATOM 0 H ILE A 63 2.608 3.908 -10.385 1.00 0.00 H new ATOM 0 HA ILE A 63 2.425 6.461 -8.851 1.00 0.00 H new ATOM 0 HB ILE A 63 2.658 6.167 -11.823 1.00 0.00 H new ATOM 0 HG12 ILE A 63 4.653 5.163 -10.760 1.00 0.00 H new ATOM 0 HG13 ILE A 63 5.016 6.616 -11.671 1.00 0.00 H new ATOM 0 HG21 ILE A 63 3.310 8.535 -11.681 1.00 0.00 H new ATOM 0 HG22 ILE A 63 1.682 8.248 -11.021 1.00 0.00 H new ATOM 0 HG23 ILE A 63 3.058 8.494 -9.919 1.00 0.00 H new ATOM 0 HD11 ILE A 63 6.191 6.630 -9.493 1.00 0.00 H new ATOM 0 HD12 ILE A 63 5.003 7.953 -9.568 1.00 0.00 H new ATOM 0 HD13 ILE A 63 4.635 6.478 -8.643 1.00 0.00 H new ATOM 911 N PHE A 64 0.080 6.913 -9.496 1.00 0.00 N ATOM 912 CA PHE A 64 -1.361 7.033 -9.632 1.00 0.00 C ATOM 913 C PHE A 64 -1.763 8.473 -9.960 1.00 0.00 C ATOM 914 O PHE A 64 -0.966 9.396 -9.797 1.00 0.00 O ATOM 915 CB PHE A 64 -1.972 6.641 -8.285 1.00 0.00 C ATOM 916 CG PHE A 64 -1.910 5.141 -7.986 1.00 0.00 C ATOM 917 CD1 PHE A 64 -2.465 4.252 -8.853 1.00 0.00 C ATOM 918 CD2 PHE A 64 -1.299 4.698 -6.855 1.00 0.00 C ATOM 919 CE1 PHE A 64 -2.407 2.861 -8.576 1.00 0.00 C ATOM 920 CE2 PHE A 64 -1.241 3.307 -6.578 1.00 0.00 C ATOM 921 CZ PHE A 64 -1.797 2.417 -7.444 1.00 0.00 C ATOM 0 H PHE A 64 0.530 7.696 -9.022 1.00 0.00 H new ATOM 0 HA PHE A 64 -1.713 6.392 -10.441 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -1.454 7.181 -7.492 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -3.013 6.963 -8.263 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -2.950 4.604 -9.752 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -0.858 5.404 -6.167 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -2.847 2.155 -9.264 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -0.755 2.955 -5.680 1.00 0.00 H new ATOM 0 HZ PHE A 64 -1.754 1.359 -7.233 1.00 0.00 H new ATOM 931 N THR A 65 -2.998 8.619 -10.417 1.00 0.00 N ATOM 932 CA THR A 65 -3.514 9.930 -10.770 1.00 0.00 C ATOM 933 C THR A 65 -4.483 10.429 -9.696 1.00 0.00 C ATOM 934 O THR A 65 -5.588 9.908 -9.561 1.00 0.00 O ATOM 935 CB THR A 65 -4.148 9.831 -12.160 1.00 0.00 C ATOM 936 OG1 THR A 65 -3.041 9.923 -13.053 1.00 0.00 O ATOM 937 CG2 THR A 65 -5.005 11.051 -12.501 1.00 0.00 C ATOM 0 H THR A 65 -3.656 7.851 -10.551 1.00 0.00 H new ATOM 0 HA THR A 65 -2.715 10.670 -10.813 1.00 0.00 H new ATOM 0 HB THR A 65 -4.760 8.931 -12.217 1.00 0.00 H new ATOM 0 HG1 THR A 65 -3.361 9.866 -13.978 1.00 0.00 H new ATOM 0 HG21 THR A 65 -5.431 10.930 -13.497 1.00 0.00 H new ATOM 0 HG22 THR A 65 -5.809 11.146 -11.772 1.00 0.00 H new ATOM 0 HG23 THR A 65 -4.386 11.948 -12.478 1.00 0.00 H new ATOM 945 N VAL A 66 -4.032 11.433 -8.958 1.00 0.00 N ATOM 946 CA VAL A 66 -4.844 12.008 -7.899 1.00 0.00 C ATOM 947 C VAL A 66 -5.587 13.231 -8.440 1.00 0.00 C ATOM 948 O VAL A 66 -5.058 13.964 -9.274 1.00 0.00 O ATOM 949 CB VAL A 66 -3.971 12.327 -6.684 1.00 0.00 C ATOM 950 CG1 VAL A 66 -4.829 12.574 -5.442 1.00 0.00 C ATOM 951 CG2 VAL A 66 -2.952 11.213 -6.434 1.00 0.00 C ATOM 0 H VAL A 66 -3.114 11.863 -9.073 1.00 0.00 H new ATOM 0 HA VAL A 66 -5.595 11.294 -7.563 1.00 0.00 H new ATOM 0 HB VAL A 66 -3.420 13.243 -6.898 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -4.184 12.799 -4.593 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -5.497 13.416 -5.623 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -5.419 11.684 -5.224 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -2.344 11.464 -5.565 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -3.476 10.275 -6.251 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -2.309 11.105 -7.308 1.00 0.00 H new ATOM 961 N SER A 67 -6.801 13.415 -7.942 1.00 0.00 N ATOM 962 CA SER A 67 -7.621 14.537 -8.364 1.00 0.00 C ATOM 963 C SER A 67 -8.473 15.032 -7.194 1.00 0.00 C ATOM 964 O SER A 67 -8.265 16.136 -6.693 1.00 0.00 O ATOM 965 CB SER A 67 -8.514 14.152 -9.546 1.00 0.00 C ATOM 966 OG SER A 67 -9.655 14.999 -9.650 1.00 0.00 O ATOM 0 H SER A 67 -7.236 12.805 -7.250 1.00 0.00 H new ATOM 0 HA SER A 67 -6.960 15.341 -8.689 1.00 0.00 H new ATOM 0 HB2 SER A 67 -7.937 14.206 -10.469 1.00 0.00 H new ATOM 0 HB3 SER A 67 -8.839 13.118 -9.433 1.00 0.00 H new ATOM 0 HG SER A 67 -10.199 14.723 -10.417 1.00 0.00 H new ATOM 972 N GLU A 68 -9.415 14.191 -6.792 1.00 0.00 N ATOM 973 CA GLU A 68 -10.300 14.529 -5.690 1.00 0.00 C ATOM 974 C GLU A 68 -10.968 13.268 -5.139 1.00 0.00 C ATOM 975 O GLU A 68 -11.174 12.300 -5.870 1.00 0.00 O ATOM 976 CB GLU A 68 -11.346 15.559 -6.123 1.00 0.00 C ATOM 977 CG GLU A 68 -12.563 14.875 -6.747 1.00 0.00 C ATOM 978 CD GLU A 68 -13.585 15.907 -7.229 1.00 0.00 C ATOM 979 OE1 GLU A 68 -13.857 16.843 -6.447 1.00 0.00 O ATOM 980 OE2 GLU A 68 -14.071 15.736 -8.368 1.00 0.00 O ATOM 0 H GLU A 68 -9.585 13.276 -7.210 1.00 0.00 H new ATOM 0 HA GLU A 68 -9.704 14.977 -4.895 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -11.658 16.150 -5.262 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -10.905 16.251 -6.841 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -12.246 14.254 -7.584 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -13.027 14.213 -6.016 1.00 0.00 H new ATOM 987 N GLY A 69 -11.287 13.319 -3.854 1.00 0.00 N ATOM 988 CA GLY A 69 -11.928 12.193 -3.197 1.00 0.00 C ATOM 989 C GLY A 69 -10.887 11.209 -2.658 1.00 0.00 C ATOM 990 O GLY A 69 -10.897 10.877 -1.474 1.00 0.00 O ATOM 0 H GLY A 69 -11.113 14.123 -3.250 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -12.553 12.552 -2.379 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -12.586 11.683 -3.901 1.00 0.00 H new ATOM 994 N THR A 70 -10.016 10.769 -3.554 1.00 0.00 N ATOM 995 CA THR A 70 -8.971 9.830 -3.183 1.00 0.00 C ATOM 996 C THR A 70 -7.932 10.512 -2.291 1.00 0.00 C ATOM 997 O THR A 70 -7.139 11.324 -2.764 1.00 0.00 O ATOM 998 CB THR A 70 -8.379 9.249 -4.469 1.00 0.00 C ATOM 999 OG1 THR A 70 -9.282 8.207 -4.827 1.00 0.00 O ATOM 1000 CG2 THR A 70 -7.052 8.527 -4.229 1.00 0.00 C ATOM 0 H THR A 70 -10.012 11.045 -4.536 1.00 0.00 H new ATOM 0 HA THR A 70 -9.372 9.007 -2.591 1.00 0.00 H new ATOM 0 HB THR A 70 -8.230 10.049 -5.194 1.00 0.00 H new ATOM 0 HG1 THR A 70 -8.858 7.619 -5.486 1.00 0.00 H new ATOM 0 HG21 THR A 70 -6.676 8.134 -5.173 1.00 0.00 H new ATOM 0 HG22 THR A 70 -6.327 9.227 -3.812 1.00 0.00 H new ATOM 0 HG23 THR A 70 -7.206 7.705 -3.530 1.00 0.00 H new ATOM 1008 N THR A 71 -7.972 10.157 -1.015 1.00 0.00 N ATOM 1009 CA THR A 71 -7.044 10.725 -0.051 1.00 0.00 C ATOM 1010 C THR A 71 -6.335 9.614 0.726 1.00 0.00 C ATOM 1011 O THR A 71 -5.770 9.859 1.790 1.00 0.00 O ATOM 1012 CB THR A 71 -7.824 11.690 0.844 1.00 0.00 C ATOM 1013 OG1 THR A 71 -9.009 10.973 1.178 1.00 0.00 O ATOM 1014 CG2 THR A 71 -8.332 12.915 0.081 1.00 0.00 C ATOM 0 H THR A 71 -8.632 9.483 -0.626 1.00 0.00 H new ATOM 0 HA THR A 71 -6.253 11.287 -0.547 1.00 0.00 H new ATOM 0 HB THR A 71 -7.189 12.014 1.669 1.00 0.00 H new ATOM 0 HG1 THR A 71 -9.573 11.525 1.759 1.00 0.00 H new ATOM 0 HG21 THR A 71 -8.879 13.567 0.762 1.00 0.00 H new ATOM 0 HG22 THR A 71 -7.486 13.458 -0.340 1.00 0.00 H new ATOM 0 HG23 THR A 71 -8.994 12.594 -0.723 1.00 0.00 H new ATOM 1022 N GLU A 72 -6.389 8.415 0.163 1.00 0.00 N ATOM 1023 CA GLU A 72 -5.759 7.266 0.790 1.00 0.00 C ATOM 1024 C GLU A 72 -5.624 6.121 -0.216 1.00 0.00 C ATOM 1025 O GLU A 72 -6.347 6.075 -1.211 1.00 0.00 O ATOM 1026 CB GLU A 72 -6.541 6.819 2.027 1.00 0.00 C ATOM 1027 CG GLU A 72 -7.837 6.109 1.630 1.00 0.00 C ATOM 1028 CD GLU A 72 -9.060 6.882 2.129 1.00 0.00 C ATOM 1029 OE1 GLU A 72 -9.421 7.870 1.454 1.00 0.00 O ATOM 1030 OE2 GLU A 72 -9.606 6.467 3.174 1.00 0.00 O ATOM 0 H GLU A 72 -6.859 8.215 -0.720 1.00 0.00 H new ATOM 0 HA GLU A 72 -4.761 7.557 1.117 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -5.925 6.150 2.629 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -6.772 7.685 2.648 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -7.883 6.008 0.546 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -7.845 5.101 2.044 1.00 0.00 H new ATOM 1037 N LEU A 73 -4.694 5.224 0.077 1.00 0.00 N ATOM 1038 CA LEU A 73 -4.455 4.083 -0.789 1.00 0.00 C ATOM 1039 C LEU A 73 -4.761 2.794 -0.024 1.00 0.00 C ATOM 1040 O LEU A 73 -4.493 2.700 1.173 1.00 0.00 O ATOM 1041 CB LEU A 73 -3.038 4.134 -1.364 1.00 0.00 C ATOM 1042 CG LEU A 73 -2.600 2.914 -2.178 1.00 0.00 C ATOM 1043 CD1 LEU A 73 -2.962 3.081 -3.655 1.00 0.00 C ATOM 1044 CD2 LEU A 73 -1.109 2.632 -1.982 1.00 0.00 C ATOM 0 H LEU A 73 -4.097 5.265 0.903 1.00 0.00 H new ATOM 0 HA LEU A 73 -5.125 4.111 -1.648 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -2.956 5.017 -1.997 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -2.337 4.267 -0.540 1.00 0.00 H new ATOM 0 HG LEU A 73 -3.144 2.044 -1.810 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -2.640 2.200 -4.210 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -4.041 3.198 -3.754 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -2.463 3.964 -4.054 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -0.823 1.760 -2.571 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -0.529 3.496 -2.307 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -0.911 2.438 -0.928 1.00 0.00 H new ATOM 1056 N LYS A 74 -5.320 1.833 -0.745 1.00 0.00 N ATOM 1057 CA LYS A 74 -5.666 0.554 -0.149 1.00 0.00 C ATOM 1058 C LYS A 74 -4.625 -0.491 -0.555 1.00 0.00 C ATOM 1059 O LYS A 74 -4.396 -0.716 -1.742 1.00 0.00 O ATOM 1060 CB LYS A 74 -7.101 0.166 -0.510 1.00 0.00 C ATOM 1061 CG LYS A 74 -8.082 0.625 0.571 1.00 0.00 C ATOM 1062 CD LYS A 74 -8.031 2.143 0.749 1.00 0.00 C ATOM 1063 CE LYS A 74 -9.417 2.764 0.566 1.00 0.00 C ATOM 1064 NZ LYS A 74 -9.633 3.145 -0.847 1.00 0.00 N ATOM 0 H LYS A 74 -5.542 1.915 -1.737 1.00 0.00 H new ATOM 0 HA LYS A 74 -5.643 0.621 0.939 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -7.373 0.613 -1.466 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -7.169 -0.915 -0.633 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -9.093 0.321 0.302 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -7.843 0.136 1.515 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -7.649 2.384 1.741 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -7.337 2.574 0.027 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -10.184 2.055 0.879 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -9.516 3.642 1.204 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -10.579 3.565 -0.953 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -8.913 3.838 -1.134 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -9.560 2.300 -1.449 1.00 0.00 H new ATOM 1078 N ALA A 75 -4.023 -1.102 0.455 1.00 0.00 N ATOM 1079 CA ALA A 75 -3.012 -2.119 0.218 1.00 0.00 C ATOM 1080 C ALA A 75 -3.468 -3.440 0.839 1.00 0.00 C ATOM 1081 O ALA A 75 -3.523 -3.569 2.061 1.00 0.00 O ATOM 1082 CB ALA A 75 -1.669 -1.644 0.777 1.00 0.00 C ATOM 0 H ALA A 75 -4.216 -0.913 1.439 1.00 0.00 H new ATOM 0 HA ALA A 75 -2.879 -2.286 -0.851 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -0.911 -2.407 0.599 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -1.376 -0.718 0.282 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -1.763 -1.468 1.849 1.00 0.00 H new ATOM 1088 N LYS A 76 -3.782 -4.389 -0.031 1.00 0.00 N ATOM 1089 CA LYS A 76 -4.232 -5.696 0.418 1.00 0.00 C ATOM 1090 C LYS A 76 -3.201 -6.752 0.012 1.00 0.00 C ATOM 1091 O LYS A 76 -2.682 -6.721 -1.103 1.00 0.00 O ATOM 1092 CB LYS A 76 -5.643 -5.983 -0.099 1.00 0.00 C ATOM 1093 CG LYS A 76 -6.701 -5.453 0.872 1.00 0.00 C ATOM 1094 CD LYS A 76 -8.072 -6.064 0.575 1.00 0.00 C ATOM 1095 CE LYS A 76 -8.979 -5.998 1.805 1.00 0.00 C ATOM 1096 NZ LYS A 76 -9.674 -4.692 1.867 1.00 0.00 N ATOM 0 H LYS A 76 -3.734 -4.279 -1.044 1.00 0.00 H new ATOM 0 HA LYS A 76 -4.305 -5.722 1.505 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -5.777 -5.520 -1.077 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -5.773 -7.057 -0.234 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -6.409 -5.686 1.896 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -6.758 -4.367 0.796 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -8.539 -5.533 -0.255 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -7.952 -7.101 0.262 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -9.711 -6.805 1.768 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -8.388 -6.145 2.709 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -10.286 -4.664 2.708 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -8.971 -3.927 1.924 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -10.254 -4.566 1.013 1.00 0.00 H new ATOM 1110 N ILE A 77 -2.936 -7.661 0.938 1.00 0.00 N ATOM 1111 CA ILE A 77 -1.977 -8.724 0.691 1.00 0.00 C ATOM 1112 C ILE A 77 -2.728 -10.018 0.369 1.00 0.00 C ATOM 1113 O ILE A 77 -3.688 -10.369 1.054 1.00 0.00 O ATOM 1114 CB ILE A 77 -1.005 -8.853 1.865 1.00 0.00 C ATOM 1115 CG1 ILE A 77 -0.339 -7.511 2.175 1.00 0.00 C ATOM 1116 CG2 ILE A 77 0.022 -9.957 1.608 1.00 0.00 C ATOM 1117 CD1 ILE A 77 -1.134 -6.733 3.225 1.00 0.00 C ATOM 0 H ILE A 77 -3.369 -7.683 1.861 1.00 0.00 H new ATOM 0 HA ILE A 77 -1.362 -8.487 -0.177 1.00 0.00 H new ATOM 0 HB ILE A 77 -1.573 -9.142 2.749 1.00 0.00 H new ATOM 0 HG12 ILE A 77 0.676 -7.679 2.534 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -0.261 -6.921 1.262 1.00 0.00 H new ATOM 0 HG21 ILE A 77 0.701 -10.028 2.458 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -0.492 -10.909 1.474 1.00 0.00 H new ATOM 0 HG23 ILE A 77 0.591 -9.723 0.708 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -0.638 -5.783 3.427 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -2.141 -6.545 2.853 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -1.190 -7.316 4.145 1.00 0.00 H new ATOM 1129 N PHE A 78 -2.264 -10.691 -0.673 1.00 0.00 N ATOM 1130 CA PHE A 78 -2.879 -11.938 -1.093 1.00 0.00 C ATOM 1131 C PHE A 78 -1.818 -12.980 -1.452 1.00 0.00 C ATOM 1132 O PHE A 78 -0.752 -12.636 -1.960 1.00 0.00 O ATOM 1133 CB PHE A 78 -3.713 -11.627 -2.338 1.00 0.00 C ATOM 1134 CG PHE A 78 -4.776 -10.549 -2.122 1.00 0.00 C ATOM 1135 CD1 PHE A 78 -5.971 -10.874 -1.559 1.00 0.00 C ATOM 1136 CD2 PHE A 78 -4.527 -9.264 -2.492 1.00 0.00 C ATOM 1137 CE1 PHE A 78 -6.958 -9.873 -1.359 1.00 0.00 C ATOM 1138 CE2 PHE A 78 -5.513 -8.263 -2.291 1.00 0.00 C ATOM 1139 CZ PHE A 78 -6.708 -8.588 -1.729 1.00 0.00 C ATOM 0 H PHE A 78 -1.469 -10.396 -1.239 1.00 0.00 H new ATOM 0 HA PHE A 78 -3.488 -12.343 -0.285 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -3.046 -11.309 -3.139 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -4.201 -12.542 -2.673 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -6.169 -11.894 -1.264 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -3.579 -9.005 -2.939 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -7.907 -10.132 -0.913 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -5.314 -7.243 -2.584 1.00 0.00 H new ATOM 0 HZ PHE A 78 -7.458 -7.826 -1.576 1.00 0.00 H new ATOM 1149 N ASP A 79 -2.147 -14.233 -1.174 1.00 0.00 N ATOM 1150 CA ASP A 79 -1.235 -15.327 -1.460 1.00 0.00 C ATOM 1151 C ASP A 79 -1.262 -15.627 -2.960 1.00 0.00 C ATOM 1152 O ASP A 79 -2.330 -15.683 -3.567 1.00 0.00 O ATOM 1153 CB ASP A 79 -1.649 -16.598 -0.716 1.00 0.00 C ATOM 1154 CG ASP A 79 -0.615 -17.726 -0.738 1.00 0.00 C ATOM 1155 OD1 ASP A 79 0.129 -17.794 -1.740 1.00 0.00 O ATOM 1156 OD2 ASP A 79 -0.593 -18.494 0.248 1.00 0.00 O ATOM 0 H ASP A 79 -3.033 -14.515 -0.754 1.00 0.00 H new ATOM 0 HA ASP A 79 -0.238 -15.029 -1.136 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -1.862 -16.341 0.322 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -2.578 -16.968 -1.149 1.00 0.00 H new ATOM 1161 N LYS A 80 -0.073 -15.813 -3.515 1.00 0.00 N ATOM 1162 CA LYS A 80 0.054 -16.106 -4.933 1.00 0.00 C ATOM 1163 C LYS A 80 -0.952 -17.194 -5.316 1.00 0.00 C ATOM 1164 O LYS A 80 -1.354 -17.291 -6.474 1.00 0.00 O ATOM 1165 CB LYS A 80 1.502 -16.458 -5.280 1.00 0.00 C ATOM 1166 CG LYS A 80 1.721 -17.972 -5.250 1.00 0.00 C ATOM 1167 CD LYS A 80 3.210 -18.312 -5.335 1.00 0.00 C ATOM 1168 CE LYS A 80 3.503 -19.193 -6.551 1.00 0.00 C ATOM 1169 NZ LYS A 80 4.958 -19.434 -6.678 1.00 0.00 N ATOM 0 H LYS A 80 0.811 -15.766 -3.008 1.00 0.00 H new ATOM 0 HA LYS A 80 -0.186 -15.225 -5.527 1.00 0.00 H new ATOM 0 HB2 LYS A 80 1.747 -16.071 -6.269 1.00 0.00 H new ATOM 0 HB3 LYS A 80 2.177 -15.975 -4.573 1.00 0.00 H new ATOM 0 HG2 LYS A 80 1.302 -18.386 -4.333 1.00 0.00 H new ATOM 0 HG3 LYS A 80 1.190 -18.436 -6.081 1.00 0.00 H new ATOM 0 HD2 LYS A 80 3.793 -17.393 -5.398 1.00 0.00 H new ATOM 0 HD3 LYS A 80 3.522 -18.826 -4.426 1.00 0.00 H new ATOM 0 HE2 LYS A 80 2.978 -20.143 -6.454 1.00 0.00 H new ATOM 0 HE3 LYS A 80 3.128 -18.712 -7.455 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 5.267 -19.194 -7.642 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 5.469 -18.841 -5.993 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 5.162 -20.436 -6.489 1.00 0.00 H new ATOM 1183 N ASP A 81 -1.329 -17.984 -4.321 1.00 0.00 N ATOM 1184 CA ASP A 81 -2.280 -19.060 -4.540 1.00 0.00 C ATOM 1185 C ASP A 81 -3.694 -18.481 -4.602 1.00 0.00 C ATOM 1186 O ASP A 81 -4.508 -18.907 -5.420 1.00 0.00 O ATOM 1187 CB ASP A 81 -2.235 -20.075 -3.396 1.00 0.00 C ATOM 1188 CG ASP A 81 -2.387 -21.537 -3.822 1.00 0.00 C ATOM 1189 OD1 ASP A 81 -1.380 -22.094 -4.309 1.00 0.00 O ATOM 1190 OD2 ASP A 81 -3.508 -22.064 -3.652 1.00 0.00 O ATOM 0 H ASP A 81 -0.993 -17.900 -3.362 1.00 0.00 H new ATOM 0 HA ASP A 81 -2.018 -19.557 -5.474 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -1.288 -19.963 -2.868 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -3.026 -19.835 -2.686 1.00 0.00 H new ATOM 1195 N VAL A 82 -3.944 -17.517 -3.728 1.00 0.00 N ATOM 1196 CA VAL A 82 -5.246 -16.874 -3.674 1.00 0.00 C ATOM 1197 C VAL A 82 -5.298 -15.750 -4.710 1.00 0.00 C ATOM 1198 O VAL A 82 -4.349 -15.553 -5.466 1.00 0.00 O ATOM 1199 CB VAL A 82 -5.531 -16.390 -2.251 1.00 0.00 C ATOM 1200 CG1 VAL A 82 -4.964 -17.364 -1.216 1.00 0.00 C ATOM 1201 CG2 VAL A 82 -4.984 -14.978 -2.032 1.00 0.00 C ATOM 0 H VAL A 82 -3.267 -17.166 -3.051 1.00 0.00 H new ATOM 0 HA VAL A 82 -6.034 -17.584 -3.925 1.00 0.00 H new ATOM 0 HB VAL A 82 -6.613 -16.354 -2.120 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -5.181 -16.996 -0.213 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -5.422 -18.344 -1.350 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -3.885 -17.447 -1.347 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -5.200 -14.658 -1.013 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -3.906 -14.977 -2.192 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -5.456 -14.292 -2.735 1.00 0.00 H new ATOM 1211 N GLY A 83 -6.418 -15.041 -4.711 1.00 0.00 N ATOM 1212 CA GLY A 83 -6.607 -13.942 -5.641 1.00 0.00 C ATOM 1213 C GLY A 83 -7.095 -12.686 -4.915 1.00 0.00 C ATOM 1214 O GLY A 83 -7.756 -12.780 -3.882 1.00 0.00 O ATOM 0 H GLY A 83 -7.204 -15.207 -4.082 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -5.669 -13.729 -6.153 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -7.329 -14.228 -6.406 1.00 0.00 H new ATOM 1218 N THR A 84 -6.750 -11.541 -5.484 1.00 0.00 N ATOM 1219 CA THR A 84 -7.145 -10.268 -4.904 1.00 0.00 C ATOM 1220 C THR A 84 -8.563 -10.358 -4.336 1.00 0.00 C ATOM 1221 O THR A 84 -8.880 -9.706 -3.343 1.00 0.00 O ATOM 1222 CB THR A 84 -6.988 -9.190 -5.978 1.00 0.00 C ATOM 1223 OG1 THR A 84 -7.667 -9.726 -7.110 1.00 0.00 O ATOM 1224 CG2 THR A 84 -5.540 -9.039 -6.449 1.00 0.00 C ATOM 0 H THR A 84 -6.201 -11.467 -6.341 1.00 0.00 H new ATOM 0 HA THR A 84 -6.507 -10.002 -4.061 1.00 0.00 H new ATOM 0 HB THR A 84 -7.345 -8.236 -5.589 1.00 0.00 H new ATOM 0 HG1 THR A 84 -7.616 -9.090 -7.854 1.00 0.00 H new ATOM 0 HG21 THR A 84 -5.484 -8.261 -7.211 1.00 0.00 H new ATOM 0 HG22 THR A 84 -4.909 -8.765 -5.604 1.00 0.00 H new ATOM 0 HG23 THR A 84 -5.194 -9.983 -6.869 1.00 0.00 H new ATOM 1232 N GLU A 85 -9.378 -11.171 -4.992 1.00 0.00 N ATOM 1233 CA GLU A 85 -10.755 -11.355 -4.565 1.00 0.00 C ATOM 1234 C GLU A 85 -11.003 -12.817 -4.188 1.00 0.00 C ATOM 1235 O GLU A 85 -11.483 -13.600 -5.006 1.00 0.00 O ATOM 1236 CB GLU A 85 -11.731 -10.895 -5.650 1.00 0.00 C ATOM 1237 CG GLU A 85 -11.293 -11.393 -7.029 1.00 0.00 C ATOM 1238 CD GLU A 85 -12.376 -11.128 -8.077 1.00 0.00 C ATOM 1239 OE1 GLU A 85 -13.360 -11.898 -8.083 1.00 0.00 O ATOM 1240 OE2 GLU A 85 -12.195 -10.160 -8.847 1.00 0.00 O ATOM 0 H GLU A 85 -9.111 -11.710 -5.816 1.00 0.00 H new ATOM 0 HA GLU A 85 -10.927 -10.739 -3.683 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -12.731 -11.267 -5.426 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -11.789 -9.807 -5.654 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -10.369 -10.896 -7.322 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -11.080 -12.461 -6.983 1.00 0.00 H new ATOM 1247 N ASP A 86 -10.665 -13.141 -2.949 1.00 0.00 N ATOM 1248 CA ASP A 86 -10.845 -14.495 -2.453 1.00 0.00 C ATOM 1249 C ASP A 86 -10.734 -14.494 -0.927 1.00 0.00 C ATOM 1250 O ASP A 86 -11.733 -14.658 -0.229 1.00 0.00 O ATOM 1251 CB ASP A 86 -9.768 -15.431 -3.005 1.00 0.00 C ATOM 1252 CG ASP A 86 -10.297 -16.657 -3.750 1.00 0.00 C ATOM 1253 OD1 ASP A 86 -11.444 -17.053 -3.450 1.00 0.00 O ATOM 1254 OD2 ASP A 86 -9.543 -17.172 -4.604 1.00 0.00 O ATOM 0 H ASP A 86 -10.267 -12.489 -2.273 1.00 0.00 H new ATOM 0 HA ASP A 86 -11.826 -14.844 -2.775 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -9.126 -14.864 -3.679 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -9.143 -15.769 -2.178 1.00 0.00 H new ATOM 1259 N ASP A 87 -9.511 -14.306 -0.455 1.00 0.00 N ATOM 1260 CA ASP A 87 -9.257 -14.282 0.976 1.00 0.00 C ATOM 1261 C ASP A 87 -7.940 -13.550 1.243 1.00 0.00 C ATOM 1262 O ASP A 87 -6.885 -14.175 1.333 1.00 0.00 O ATOM 1263 CB ASP A 87 -9.132 -15.699 1.537 1.00 0.00 C ATOM 1264 CG ASP A 87 -10.435 -16.303 2.065 1.00 0.00 C ATOM 1265 OD1 ASP A 87 -11.336 -15.504 2.400 1.00 0.00 O ATOM 1266 OD2 ASP A 87 -10.501 -17.550 2.120 1.00 0.00 O ATOM 0 H ASP A 87 -8.685 -14.169 -1.037 1.00 0.00 H new ATOM 0 HA ASP A 87 -10.093 -13.776 1.459 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -8.738 -16.349 0.756 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -8.400 -15.691 2.344 1.00 0.00 H new ATOM 1271 N ALA A 88 -8.045 -12.234 1.362 1.00 0.00 N ATOM 1272 CA ALA A 88 -6.875 -11.410 1.617 1.00 0.00 C ATOM 1273 C ALA A 88 -6.106 -11.979 2.811 1.00 0.00 C ATOM 1274 O ALA A 88 -6.696 -12.597 3.697 1.00 0.00 O ATOM 1275 CB ALA A 88 -7.311 -9.961 1.841 1.00 0.00 C ATOM 0 H ALA A 88 -8.922 -11.718 1.287 1.00 0.00 H new ATOM 0 HA ALA A 88 -6.204 -11.420 0.758 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -6.434 -9.343 2.032 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -7.827 -9.595 0.953 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -7.984 -9.912 2.697 1.00 0.00 H new ATOM 1281 N VAL A 89 -4.801 -11.751 2.798 1.00 0.00 N ATOM 1282 CA VAL A 89 -3.946 -12.233 3.869 1.00 0.00 C ATOM 1283 C VAL A 89 -3.641 -11.082 4.830 1.00 0.00 C ATOM 1284 O VAL A 89 -3.102 -11.299 5.914 1.00 0.00 O ATOM 1285 CB VAL A 89 -2.685 -12.873 3.284 1.00 0.00 C ATOM 1286 CG1 VAL A 89 -1.556 -11.848 3.162 1.00 0.00 C ATOM 1287 CG2 VAL A 89 -2.245 -14.078 4.117 1.00 0.00 C ATOM 0 H VAL A 89 -4.315 -11.239 2.062 1.00 0.00 H new ATOM 0 HA VAL A 89 -4.453 -13.009 4.442 1.00 0.00 H new ATOM 0 HB VAL A 89 -2.924 -13.228 2.282 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -0.672 -12.329 2.744 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -1.871 -11.036 2.507 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -1.319 -11.448 4.148 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -1.347 -14.514 3.680 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -2.033 -13.757 5.137 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -3.041 -14.822 4.129 1.00 0.00 H new ATOM 1297 N GLY A 90 -4.000 -9.882 4.398 1.00 0.00 N ATOM 1298 CA GLY A 90 -3.772 -8.696 5.206 1.00 0.00 C ATOM 1299 C GLY A 90 -4.017 -7.423 4.394 1.00 0.00 C ATOM 1300 O GLY A 90 -3.942 -7.441 3.166 1.00 0.00 O ATOM 0 H GLY A 90 -4.447 -9.706 3.498 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -4.432 -8.711 6.074 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -2.749 -8.700 5.583 1.00 0.00 H new ATOM 1304 N GLU A 91 -4.307 -6.348 5.112 1.00 0.00 N ATOM 1305 CA GLU A 91 -4.564 -5.068 4.473 1.00 0.00 C ATOM 1306 C GLU A 91 -4.084 -3.923 5.367 1.00 0.00 C ATOM 1307 O GLU A 91 -3.887 -4.108 6.567 1.00 0.00 O ATOM 1308 CB GLU A 91 -6.047 -4.914 4.133 1.00 0.00 C ATOM 1309 CG GLU A 91 -6.821 -4.317 5.311 1.00 0.00 C ATOM 1310 CD GLU A 91 -6.772 -2.788 5.280 1.00 0.00 C ATOM 1311 OE1 GLU A 91 -7.528 -2.213 4.468 1.00 0.00 O ATOM 1312 OE2 GLU A 91 -5.981 -2.229 6.070 1.00 0.00 O ATOM 0 H GLU A 91 -4.370 -6.337 6.130 1.00 0.00 H new ATOM 0 HA GLU A 91 -4.005 -5.031 3.538 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -6.159 -4.274 3.258 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -6.467 -5.886 3.872 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -7.858 -4.652 5.277 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -6.400 -4.679 6.249 1.00 0.00 H new ATOM 1319 N ALA A 92 -3.910 -2.765 4.747 1.00 0.00 N ATOM 1320 CA ALA A 92 -3.456 -1.589 5.472 1.00 0.00 C ATOM 1321 C ALA A 92 -3.954 -0.332 4.757 1.00 0.00 C ATOM 1322 O ALA A 92 -4.038 -0.303 3.530 1.00 0.00 O ATOM 1323 CB ALA A 92 -1.932 -1.624 5.598 1.00 0.00 C ATOM 0 H ALA A 92 -4.075 -2.615 3.752 1.00 0.00 H new ATOM 0 HA ALA A 92 -3.866 -1.578 6.482 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -1.592 -0.743 6.141 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -1.632 -2.522 6.138 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -1.485 -1.633 4.604 1.00 0.00 H new ATOM 1329 N THR A 93 -4.271 0.678 5.554 1.00 0.00 N ATOM 1330 CA THR A 93 -4.758 1.935 5.013 1.00 0.00 C ATOM 1331 C THR A 93 -3.622 2.957 4.933 1.00 0.00 C ATOM 1332 O THR A 93 -3.069 3.356 5.957 1.00 0.00 O ATOM 1333 CB THR A 93 -5.933 2.398 5.877 1.00 0.00 C ATOM 1334 OG1 THR A 93 -6.945 1.424 5.638 1.00 0.00 O ATOM 1335 CG2 THR A 93 -6.549 3.706 5.375 1.00 0.00 C ATOM 0 H THR A 93 -4.200 0.651 6.571 1.00 0.00 H new ATOM 0 HA THR A 93 -5.116 1.814 3.991 1.00 0.00 H new ATOM 0 HB THR A 93 -5.598 2.526 6.906 1.00 0.00 H new ATOM 0 HG1 THR A 93 -7.743 1.646 6.161 1.00 0.00 H new ATOM 0 HG21 THR A 93 -7.378 3.990 6.023 1.00 0.00 H new ATOM 0 HG22 THR A 93 -5.794 4.492 5.387 1.00 0.00 H new ATOM 0 HG23 THR A 93 -6.914 3.569 4.357 1.00 0.00 H new ATOM 1343 N ILE A 94 -3.309 3.351 3.708 1.00 0.00 N ATOM 1344 CA ILE A 94 -2.249 4.319 3.481 1.00 0.00 C ATOM 1345 C ILE A 94 -2.863 5.643 3.022 1.00 0.00 C ATOM 1346 O ILE A 94 -3.203 5.800 1.850 1.00 0.00 O ATOM 1347 CB ILE A 94 -1.207 3.755 2.513 1.00 0.00 C ATOM 1348 CG1 ILE A 94 -0.559 2.491 3.080 1.00 0.00 C ATOM 1349 CG2 ILE A 94 -0.168 4.817 2.147 1.00 0.00 C ATOM 1350 CD1 ILE A 94 -0.623 1.342 2.071 1.00 0.00 C ATOM 0 H ILE A 94 -3.771 3.018 2.862 1.00 0.00 H new ATOM 0 HA ILE A 94 -1.712 4.521 4.408 1.00 0.00 H new ATOM 0 HB ILE A 94 -1.715 3.470 1.592 1.00 0.00 H new ATOM 0 HG12 ILE A 94 0.480 2.695 3.338 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -1.065 2.200 4.000 1.00 0.00 H new ATOM 0 HG21 ILE A 94 0.561 4.391 1.458 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -0.664 5.663 1.672 1.00 0.00 H new ATOM 0 HG23 ILE A 94 0.341 5.155 3.050 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -0.155 0.455 2.499 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -1.664 1.124 1.833 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -0.095 1.627 1.161 1.00 0.00 H new ATOM 1362 N PRO A 95 -2.989 6.586 3.994 1.00 0.00 N ATOM 1363 CA PRO A 95 -3.556 7.891 3.701 1.00 0.00 C ATOM 1364 C PRO A 95 -2.558 8.763 2.936 1.00 0.00 C ATOM 1365 O PRO A 95 -1.381 8.820 3.288 1.00 0.00 O ATOM 1366 CB PRO A 95 -3.934 8.469 5.055 1.00 0.00 C ATOM 1367 CG PRO A 95 -3.146 7.673 6.082 1.00 0.00 C ATOM 1368 CD PRO A 95 -2.597 6.435 5.392 1.00 0.00 C ATOM 0 HA PRO A 95 -4.428 7.834 3.050 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -3.687 9.529 5.110 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -5.006 8.381 5.232 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -2.334 8.275 6.490 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -3.785 7.392 6.919 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -1.514 6.372 5.495 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -3.012 5.524 5.824 1.00 0.00 H new ATOM 1376 N LEU A 96 -3.066 9.421 1.904 1.00 0.00 N ATOM 1377 CA LEU A 96 -2.233 10.287 1.086 1.00 0.00 C ATOM 1378 C LEU A 96 -2.395 11.734 1.557 1.00 0.00 C ATOM 1379 O LEU A 96 -1.895 12.658 0.917 1.00 0.00 O ATOM 1380 CB LEU A 96 -2.545 10.084 -0.398 1.00 0.00 C ATOM 1381 CG LEU A 96 -2.674 8.633 -0.864 1.00 0.00 C ATOM 1382 CD1 LEU A 96 -3.442 8.547 -2.184 1.00 0.00 C ATOM 1383 CD2 LEU A 96 -1.302 7.962 -0.955 1.00 0.00 C ATOM 0 H LEU A 96 -4.043 9.372 1.616 1.00 0.00 H new ATOM 0 HA LEU A 96 -1.181 10.028 1.205 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -3.476 10.602 -0.627 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -1.760 10.564 -0.983 1.00 0.00 H new ATOM 0 HG LEU A 96 -3.252 8.086 -0.119 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -3.519 7.504 -2.493 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -4.441 8.961 -2.051 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -2.913 9.114 -2.950 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -1.422 6.931 -1.288 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -0.679 8.503 -1.667 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -0.826 7.973 0.025 1.00 0.00 H new ATOM 1395 N GLU A 97 -3.096 11.886 2.671 1.00 0.00 N ATOM 1396 CA GLU A 97 -3.330 13.204 3.234 1.00 0.00 C ATOM 1397 C GLU A 97 -2.008 13.833 3.681 1.00 0.00 C ATOM 1398 O GLU A 97 -1.793 15.030 3.499 1.00 0.00 O ATOM 1399 CB GLU A 97 -4.324 13.136 4.395 1.00 0.00 C ATOM 1400 CG GLU A 97 -5.435 14.175 4.227 1.00 0.00 C ATOM 1401 CD GLU A 97 -6.342 14.212 5.458 1.00 0.00 C ATOM 1402 OE1 GLU A 97 -5.789 14.387 6.565 1.00 0.00 O ATOM 1403 OE2 GLU A 97 -7.568 14.064 5.265 1.00 0.00 O ATOM 0 H GLU A 97 -3.510 11.117 3.199 1.00 0.00 H new ATOM 0 HA GLU A 97 -3.767 13.835 2.460 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -4.759 12.138 4.448 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -3.801 13.306 5.336 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -4.996 15.159 4.065 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -6.026 13.940 3.342 1.00 0.00 H new ATOM 1410 N PRO A 98 -1.134 12.974 4.271 1.00 0.00 N ATOM 1411 CA PRO A 98 0.161 13.433 4.745 1.00 0.00 C ATOM 1412 C PRO A 98 1.122 13.663 3.577 1.00 0.00 C ATOM 1413 O PRO A 98 2.049 14.465 3.680 1.00 0.00 O ATOM 1414 CB PRO A 98 0.636 12.351 5.701 1.00 0.00 C ATOM 1415 CG PRO A 98 -0.187 11.115 5.374 1.00 0.00 C ATOM 1416 CD PRO A 98 -1.354 11.550 4.503 1.00 0.00 C ATOM 0 HA PRO A 98 0.106 14.397 5.251 1.00 0.00 H new ATOM 0 HB2 PRO A 98 1.701 12.156 5.573 1.00 0.00 H new ATOM 0 HB3 PRO A 98 0.490 12.654 6.738 1.00 0.00 H new ATOM 0 HG2 PRO A 98 0.423 10.377 4.854 1.00 0.00 H new ATOM 0 HG3 PRO A 98 -0.548 10.644 6.288 1.00 0.00 H new ATOM 0 HD2 PRO A 98 -1.376 10.995 3.565 1.00 0.00 H new ATOM 0 HD3 PRO A 98 -2.307 11.373 5.001 1.00 0.00 H new ATOM 1424 N VAL A 99 0.868 12.945 2.493 1.00 0.00 N ATOM 1425 CA VAL A 99 1.699 13.061 1.307 1.00 0.00 C ATOM 1426 C VAL A 99 1.184 14.210 0.439 1.00 0.00 C ATOM 1427 O VAL A 99 1.761 14.511 -0.605 1.00 0.00 O ATOM 1428 CB VAL A 99 1.741 11.723 0.565 1.00 0.00 C ATOM 1429 CG1 VAL A 99 0.606 11.627 -0.457 1.00 0.00 C ATOM 1430 CG2 VAL A 99 3.101 11.510 -0.103 1.00 0.00 C ATOM 0 H VAL A 99 0.098 12.281 2.411 1.00 0.00 H new ATOM 0 HA VAL A 99 2.727 13.297 1.582 1.00 0.00 H new ATOM 0 HB VAL A 99 1.599 10.928 1.297 1.00 0.00 H new ATOM 0 HG11 VAL A 99 0.659 10.667 -0.970 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -0.353 11.713 0.055 1.00 0.00 H new ATOM 0 HG13 VAL A 99 0.702 12.433 -1.184 1.00 0.00 H new ATOM 0 HG21 VAL A 99 3.105 10.552 -0.623 1.00 0.00 H new ATOM 0 HG22 VAL A 99 3.285 12.312 -0.818 1.00 0.00 H new ATOM 0 HG23 VAL A 99 3.884 11.514 0.656 1.00 0.00 H new ATOM 1440 N PHE A 100 0.104 14.822 0.903 1.00 0.00 N ATOM 1441 CA PHE A 100 -0.495 15.932 0.181 1.00 0.00 C ATOM 1442 C PHE A 100 -0.115 17.269 0.819 1.00 0.00 C ATOM 1443 O PHE A 100 -0.011 18.283 0.130 1.00 0.00 O ATOM 1444 CB PHE A 100 -2.012 15.753 0.266 1.00 0.00 C ATOM 1445 CG PHE A 100 -2.551 14.599 -0.583 1.00 0.00 C ATOM 1446 CD1 PHE A 100 -1.710 13.898 -1.390 1.00 0.00 C ATOM 1447 CD2 PHE A 100 -3.871 14.275 -0.530 1.00 0.00 C ATOM 1448 CE1 PHE A 100 -2.210 12.828 -2.177 1.00 0.00 C ATOM 1449 CE2 PHE A 100 -4.371 13.205 -1.318 1.00 0.00 C ATOM 1450 CZ PHE A 100 -3.530 12.504 -2.125 1.00 0.00 C ATOM 0 H PHE A 100 -0.372 14.570 1.770 1.00 0.00 H new ATOM 0 HA PHE A 100 -0.143 15.939 -0.851 1.00 0.00 H new ATOM 0 HB2 PHE A 100 -2.290 15.586 1.307 1.00 0.00 H new ATOM 0 HB3 PHE A 100 -2.495 16.678 -0.048 1.00 0.00 H new ATOM 0 HD1 PHE A 100 -0.662 14.156 -1.432 1.00 0.00 H new ATOM 0 HD2 PHE A 100 -4.538 14.831 0.111 1.00 0.00 H new ATOM 0 HE1 PHE A 100 -1.542 12.271 -2.817 1.00 0.00 H new ATOM 0 HE2 PHE A 100 -5.419 12.948 -1.277 1.00 0.00 H new ATOM 0 HZ PHE A 100 -3.910 11.690 -2.724 1.00 0.00 H new ATOM 1460 N VAL A 101 0.083 17.229 2.129 1.00 0.00 N ATOM 1461 CA VAL A 101 0.450 18.426 2.867 1.00 0.00 C ATOM 1462 C VAL A 101 1.971 18.482 3.016 1.00 0.00 C ATOM 1463 O VAL A 101 2.551 19.563 3.096 1.00 0.00 O ATOM 1464 CB VAL A 101 -0.284 18.457 4.210 1.00 0.00 C ATOM 1465 CG1 VAL A 101 -1.749 18.047 4.044 1.00 0.00 C ATOM 1466 CG2 VAL A 101 0.420 17.572 5.240 1.00 0.00 C ATOM 0 H VAL A 101 -0.004 16.387 2.698 1.00 0.00 H new ATOM 0 HA VAL A 101 0.144 19.320 2.323 1.00 0.00 H new ATOM 0 HB VAL A 101 -0.263 19.482 4.580 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -2.247 18.077 5.013 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -2.244 18.736 3.359 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -1.800 17.035 3.641 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -0.122 17.612 6.185 1.00 0.00 H new ATOM 0 HG22 VAL A 101 0.445 16.544 4.879 1.00 0.00 H new ATOM 0 HG23 VAL A 101 1.439 17.929 5.391 1.00 0.00 H new ATOM 1476 N GLU A 102 2.575 17.302 3.048 1.00 0.00 N ATOM 1477 CA GLU A 102 4.018 17.204 3.186 1.00 0.00 C ATOM 1478 C GLU A 102 4.687 17.251 1.811 1.00 0.00 C ATOM 1479 O GLU A 102 5.657 17.981 1.613 1.00 0.00 O ATOM 1480 CB GLU A 102 4.410 15.933 3.943 1.00 0.00 C ATOM 1481 CG GLU A 102 3.730 15.879 5.313 1.00 0.00 C ATOM 1482 CD GLU A 102 4.704 16.270 6.425 1.00 0.00 C ATOM 1483 OE1 GLU A 102 4.774 17.483 6.718 1.00 0.00 O ATOM 1484 OE2 GLU A 102 5.357 15.347 6.959 1.00 0.00 O ATOM 0 H GLU A 102 2.091 16.407 2.981 1.00 0.00 H new ATOM 0 HA GLU A 102 4.367 18.057 3.768 1.00 0.00 H new ATOM 0 HB2 GLU A 102 4.129 15.056 3.359 1.00 0.00 H new ATOM 0 HB3 GLU A 102 5.492 15.899 4.069 1.00 0.00 H new ATOM 0 HG2 GLU A 102 2.872 16.551 5.324 1.00 0.00 H new ATOM 0 HG3 GLU A 102 3.350 14.874 5.495 1.00 0.00 H new ATOM 1491 N GLY A 103 4.142 16.463 0.896 1.00 0.00 N ATOM 1492 CA GLY A 103 4.673 16.406 -0.455 1.00 0.00 C ATOM 1493 C GLY A 103 5.516 15.146 -0.660 1.00 0.00 C ATOM 1494 O GLY A 103 5.839 14.787 -1.792 1.00 0.00 O ATOM 0 H GLY A 103 3.338 15.859 1.064 1.00 0.00 H new ATOM 0 HA2 GLY A 103 3.853 16.420 -1.173 1.00 0.00 H new ATOM 0 HA3 GLY A 103 5.281 17.290 -0.648 1.00 0.00 H new ATOM 1498 N SER A 104 5.849 14.508 0.453 1.00 0.00 N ATOM 1499 CA SER A 104 6.648 13.295 0.410 1.00 0.00 C ATOM 1500 C SER A 104 6.666 12.631 1.788 1.00 0.00 C ATOM 1501 O SER A 104 7.043 13.258 2.778 1.00 0.00 O ATOM 1502 CB SER A 104 8.075 13.592 -0.055 1.00 0.00 C ATOM 1503 OG SER A 104 8.128 13.917 -1.442 1.00 0.00 O ATOM 0 H SER A 104 5.580 14.808 1.390 1.00 0.00 H new ATOM 0 HA SER A 104 6.195 12.612 -0.309 1.00 0.00 H new ATOM 0 HB2 SER A 104 8.481 14.419 0.527 1.00 0.00 H new ATOM 0 HB3 SER A 104 8.707 12.725 0.139 1.00 0.00 H new ATOM 0 HG SER A 104 7.247 13.771 -1.846 1.00 0.00 H new ATOM 1509 N ILE A 105 6.255 11.372 1.809 1.00 0.00 N ATOM 1510 CA ILE A 105 6.220 10.616 3.049 1.00 0.00 C ATOM 1511 C ILE A 105 7.234 9.474 2.975 1.00 0.00 C ATOM 1512 O ILE A 105 7.368 8.824 1.939 1.00 0.00 O ATOM 1513 CB ILE A 105 4.794 10.154 3.354 1.00 0.00 C ATOM 1514 CG1 ILE A 105 3.830 11.341 3.402 1.00 0.00 C ATOM 1515 CG2 ILE A 105 4.749 9.326 4.641 1.00 0.00 C ATOM 1516 CD1 ILE A 105 4.342 12.424 4.354 1.00 0.00 C ATOM 0 H ILE A 105 5.943 10.856 0.986 1.00 0.00 H new ATOM 0 HA ILE A 105 6.513 11.247 3.888 1.00 0.00 H new ATOM 0 HB ILE A 105 4.465 9.506 2.542 1.00 0.00 H new ATOM 0 HG12 ILE A 105 3.710 11.758 2.402 1.00 0.00 H new ATOM 0 HG13 ILE A 105 2.846 11.002 3.726 1.00 0.00 H new ATOM 0 HG21 ILE A 105 3.724 9.010 4.835 1.00 0.00 H new ATOM 0 HG22 ILE A 105 5.385 8.447 4.531 1.00 0.00 H new ATOM 0 HG23 ILE A 105 5.106 9.930 5.475 1.00 0.00 H new ATOM 0 HD11 ILE A 105 3.639 13.257 4.370 1.00 0.00 H new ATOM 0 HD12 ILE A 105 4.437 12.010 5.358 1.00 0.00 H new ATOM 0 HD13 ILE A 105 5.315 12.778 4.013 1.00 0.00 H new ATOM 1528 N PRO A 106 7.942 9.258 4.116 1.00 0.00 N ATOM 1529 CA PRO A 106 8.941 8.205 4.190 1.00 0.00 C ATOM 1530 C PRO A 106 8.280 6.829 4.299 1.00 0.00 C ATOM 1531 O PRO A 106 7.073 6.732 4.517 1.00 0.00 O ATOM 1532 CB PRO A 106 9.790 8.553 5.401 1.00 0.00 C ATOM 1533 CG PRO A 106 8.960 9.521 6.229 1.00 0.00 C ATOM 1534 CD PRO A 106 7.810 10.008 5.362 1.00 0.00 C ATOM 0 HA PRO A 106 9.557 8.145 3.292 1.00 0.00 H new ATOM 0 HB2 PRO A 106 10.036 7.660 5.975 1.00 0.00 H new ATOM 0 HB3 PRO A 106 10.734 9.007 5.099 1.00 0.00 H new ATOM 0 HG2 PRO A 106 8.581 9.029 7.125 1.00 0.00 H new ATOM 0 HG3 PRO A 106 9.571 10.361 6.560 1.00 0.00 H new ATOM 0 HD2 PRO A 106 6.848 9.819 5.838 1.00 0.00 H new ATOM 0 HD3 PRO A 106 7.874 11.082 5.186 1.00 0.00 H new ATOM 1542 N PRO A 107 9.121 5.773 4.136 1.00 0.00 N ATOM 1543 CA PRO A 107 8.632 4.408 4.214 1.00 0.00 C ATOM 1544 C PRO A 107 8.352 4.007 5.664 1.00 0.00 C ATOM 1545 O PRO A 107 9.276 3.698 6.415 1.00 0.00 O ATOM 1546 CB PRO A 107 9.715 3.564 3.563 1.00 0.00 C ATOM 1547 CG PRO A 107 10.969 4.422 3.564 1.00 0.00 C ATOM 1548 CD PRO A 107 10.556 5.851 3.876 1.00 0.00 C ATOM 0 HA PRO A 107 7.679 4.273 3.702 1.00 0.00 H new ATOM 0 HB2 PRO A 107 9.875 2.639 4.117 1.00 0.00 H new ATOM 0 HB3 PRO A 107 9.434 3.284 2.548 1.00 0.00 H new ATOM 0 HG2 PRO A 107 11.679 4.059 4.307 1.00 0.00 H new ATOM 0 HG3 PRO A 107 11.467 4.371 2.596 1.00 0.00 H new ATOM 0 HD2 PRO A 107 11.095 6.239 4.740 1.00 0.00 H new ATOM 0 HD3 PRO A 107 10.772 6.517 3.041 1.00 0.00 H new ATOM 1556 N THR A 108 7.074 4.025 6.013 1.00 0.00 N ATOM 1557 CA THR A 108 6.662 3.667 7.360 1.00 0.00 C ATOM 1558 C THR A 108 5.837 2.378 7.340 1.00 0.00 C ATOM 1559 O THR A 108 5.165 2.082 6.354 1.00 0.00 O ATOM 1560 CB THR A 108 5.911 4.859 7.957 1.00 0.00 C ATOM 1561 OG1 THR A 108 6.940 5.671 8.517 1.00 0.00 O ATOM 1562 CG2 THR A 108 5.050 4.467 9.159 1.00 0.00 C ATOM 0 H THR A 108 6.311 4.282 5.387 1.00 0.00 H new ATOM 0 HA THR A 108 7.523 3.456 7.994 1.00 0.00 H new ATOM 0 HB THR A 108 5.280 5.311 7.192 1.00 0.00 H new ATOM 0 HG1 THR A 108 6.542 6.468 8.925 1.00 0.00 H new ATOM 0 HG21 THR A 108 4.539 5.350 9.544 1.00 0.00 H new ATOM 0 HG22 THR A 108 4.312 3.726 8.852 1.00 0.00 H new ATOM 0 HG23 THR A 108 5.684 4.046 9.939 1.00 0.00 H new ATOM 1570 N ALA A 109 5.916 1.646 8.442 1.00 0.00 N ATOM 1571 CA ALA A 109 5.186 0.396 8.564 1.00 0.00 C ATOM 1572 C ALA A 109 3.745 0.691 8.985 1.00 0.00 C ATOM 1573 O ALA A 109 3.481 0.969 10.154 1.00 0.00 O ATOM 1574 CB ALA A 109 5.906 -0.522 9.553 1.00 0.00 C ATOM 0 H ALA A 109 6.475 1.895 9.258 1.00 0.00 H new ATOM 0 HA ALA A 109 5.150 -0.122 7.606 1.00 0.00 H new ATOM 0 HB1 ALA A 109 5.358 -1.460 9.644 1.00 0.00 H new ATOM 0 HB2 ALA A 109 6.915 -0.725 9.193 1.00 0.00 H new ATOM 0 HB3 ALA A 109 5.959 -0.037 10.527 1.00 0.00 H new ATOM 1580 N TYR A 110 2.851 0.621 8.010 1.00 0.00 N ATOM 1581 CA TYR A 110 1.444 0.877 8.265 1.00 0.00 C ATOM 1582 C TYR A 110 0.767 -0.348 8.884 1.00 0.00 C ATOM 1583 O TYR A 110 0.958 -1.469 8.417 1.00 0.00 O ATOM 1584 CB TYR A 110 0.812 1.159 6.901 1.00 0.00 C ATOM 1585 CG TYR A 110 1.304 2.450 6.242 1.00 0.00 C ATOM 1586 CD1 TYR A 110 0.929 3.674 6.758 1.00 0.00 C ATOM 1587 CD2 TYR A 110 2.122 2.389 5.132 1.00 0.00 C ATOM 1588 CE1 TYR A 110 1.392 4.888 6.138 1.00 0.00 C ATOM 1589 CE2 TYR A 110 2.585 3.604 4.512 1.00 0.00 C ATOM 1590 CZ TYR A 110 2.197 4.793 5.046 1.00 0.00 C ATOM 1591 OH TYR A 110 2.634 5.940 4.460 1.00 0.00 O ATOM 0 H TYR A 110 3.074 0.391 7.042 1.00 0.00 H new ATOM 0 HA TYR A 110 1.325 1.708 8.960 1.00 0.00 H new ATOM 0 HB2 TYR A 110 1.020 0.321 6.235 1.00 0.00 H new ATOM 0 HB3 TYR A 110 -0.270 1.212 7.018 1.00 0.00 H new ATOM 0 HD1 TYR A 110 0.289 3.721 7.626 1.00 0.00 H new ATOM 0 HD2 TYR A 110 2.415 1.431 4.729 1.00 0.00 H new ATOM 0 HE1 TYR A 110 1.106 5.852 6.531 1.00 0.00 H new ATOM 0 HE2 TYR A 110 3.226 3.571 3.643 1.00 0.00 H new ATOM 0 HH TYR A 110 3.201 5.719 3.692 1.00 0.00 H new ATOM 1601 N ASN A 111 -0.011 -0.091 9.925 1.00 0.00 N ATOM 1602 CA ASN A 111 -0.718 -1.159 10.613 1.00 0.00 C ATOM 1603 C ASN A 111 -1.428 -2.040 9.583 1.00 0.00 C ATOM 1604 O ASN A 111 -2.222 -1.549 8.782 1.00 0.00 O ATOM 1605 CB ASN A 111 -1.776 -0.596 11.564 1.00 0.00 C ATOM 1606 CG ASN A 111 -1.209 0.557 12.394 1.00 0.00 C ATOM 1607 OD1 ASN A 111 -0.221 1.182 12.044 1.00 0.00 O ATOM 1608 ND2 ASN A 111 -1.887 0.804 13.511 1.00 0.00 N ATOM 0 H ASN A 111 -0.168 0.841 10.309 1.00 0.00 H new ATOM 0 HA ASN A 111 0.011 -1.733 11.185 1.00 0.00 H new ATOM 0 HB2 ASN A 111 -2.636 -0.248 10.992 1.00 0.00 H new ATOM 0 HB3 ASN A 111 -2.132 -1.385 12.226 1.00 0.00 H new ATOM 0 HD21 ASN A 111 -1.588 1.555 14.134 1.00 0.00 H new ATOM 0 HD22 ASN A 111 -2.706 0.243 13.745 1.00 0.00 H new ATOM 1615 N VAL A 112 -1.116 -3.327 9.638 1.00 0.00 N ATOM 1616 CA VAL A 112 -1.715 -4.281 8.720 1.00 0.00 C ATOM 1617 C VAL A 112 -2.684 -5.182 9.488 1.00 0.00 C ATOM 1618 O VAL A 112 -2.268 -5.948 10.356 1.00 0.00 O ATOM 1619 CB VAL A 112 -0.620 -5.063 7.991 1.00 0.00 C ATOM 1620 CG1 VAL A 112 -1.210 -6.252 7.230 1.00 0.00 C ATOM 1621 CG2 VAL A 112 0.174 -4.152 7.054 1.00 0.00 C ATOM 0 H VAL A 112 -0.457 -3.731 10.303 1.00 0.00 H new ATOM 0 HA VAL A 112 -2.292 -3.764 7.953 1.00 0.00 H new ATOM 0 HB VAL A 112 0.068 -5.453 8.741 1.00 0.00 H new ATOM 0 HG11 VAL A 112 -0.411 -6.791 6.721 1.00 0.00 H new ATOM 0 HG12 VAL A 112 -1.709 -6.921 7.931 1.00 0.00 H new ATOM 0 HG13 VAL A 112 -1.931 -5.892 6.495 1.00 0.00 H new ATOM 0 HG21 VAL A 112 0.945 -4.733 6.549 1.00 0.00 H new ATOM 0 HG22 VAL A 112 -0.497 -3.718 6.313 1.00 0.00 H new ATOM 0 HG23 VAL A 112 0.641 -3.354 7.632 1.00 0.00 H new ATOM 1631 N VAL A 113 -3.956 -5.061 9.141 1.00 0.00 N ATOM 1632 CA VAL A 113 -4.987 -5.855 9.787 1.00 0.00 C ATOM 1633 C VAL A 113 -5.660 -6.753 8.747 1.00 0.00 C ATOM 1634 O VAL A 113 -5.458 -6.577 7.546 1.00 0.00 O ATOM 1635 CB VAL A 113 -5.975 -4.939 10.514 1.00 0.00 C ATOM 1636 CG1 VAL A 113 -5.602 -4.793 11.990 1.00 0.00 C ATOM 1637 CG2 VAL A 113 -6.059 -3.572 9.832 1.00 0.00 C ATOM 0 H VAL A 113 -4.297 -4.425 8.420 1.00 0.00 H new ATOM 0 HA VAL A 113 -4.549 -6.505 10.544 1.00 0.00 H new ATOM 0 HB VAL A 113 -6.961 -5.401 10.461 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -6.320 -4.137 12.483 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -5.617 -5.773 12.468 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -4.603 -4.365 12.072 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -6.768 -2.941 10.368 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -5.076 -3.101 9.839 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -6.393 -3.699 8.802 1.00 0.00 H new ATOM 1647 N LYS A 114 -6.445 -7.696 9.246 1.00 0.00 N ATOM 1648 CA LYS A 114 -7.148 -8.623 8.375 1.00 0.00 C ATOM 1649 C LYS A 114 -8.479 -9.013 9.020 1.00 0.00 C ATOM 1650 O LYS A 114 -8.549 -9.988 9.767 1.00 0.00 O ATOM 1651 CB LYS A 114 -6.257 -9.818 8.033 1.00 0.00 C ATOM 1652 CG LYS A 114 -6.968 -10.775 7.074 1.00 0.00 C ATOM 1653 CD LYS A 114 -7.871 -10.010 6.104 1.00 0.00 C ATOM 1654 CE LYS A 114 -7.050 -9.083 5.206 1.00 0.00 C ATOM 1655 NZ LYS A 114 -7.938 -8.162 4.463 1.00 0.00 N ATOM 0 H LYS A 114 -6.610 -7.838 10.242 1.00 0.00 H new ATOM 0 HA LYS A 114 -7.382 -8.147 7.423 1.00 0.00 H new ATOM 0 HB2 LYS A 114 -5.329 -9.467 7.581 1.00 0.00 H new ATOM 0 HB3 LYS A 114 -5.986 -10.347 8.946 1.00 0.00 H new ATOM 0 HG2 LYS A 114 -6.230 -11.349 6.513 1.00 0.00 H new ATOM 0 HG3 LYS A 114 -7.563 -11.490 7.643 1.00 0.00 H new ATOM 0 HD2 LYS A 114 -8.431 -10.715 5.490 1.00 0.00 H new ATOM 0 HD3 LYS A 114 -8.601 -9.426 6.665 1.00 0.00 H new ATOM 0 HE2 LYS A 114 -6.346 -8.511 5.811 1.00 0.00 H new ATOM 0 HE3 LYS A 114 -6.461 -9.674 4.505 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 -7.494 -7.906 3.558 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 -8.849 -8.629 4.282 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 -8.096 -7.302 5.026 1.00 0.00 H new ATOM 1669 N ASP A 115 -9.503 -8.231 8.709 1.00 0.00 N ATOM 1670 CA ASP A 115 -10.828 -8.483 9.250 1.00 0.00 C ATOM 1671 C ASP A 115 -10.980 -7.743 10.580 1.00 0.00 C ATOM 1672 O ASP A 115 -12.093 -7.412 10.987 1.00 0.00 O ATOM 1673 CB ASP A 115 -11.042 -9.975 9.512 1.00 0.00 C ATOM 1674 CG ASP A 115 -12.496 -10.445 9.426 1.00 0.00 C ATOM 1675 OD1 ASP A 115 -13.381 -9.599 9.679 1.00 0.00 O ATOM 1676 OD2 ASP A 115 -12.688 -11.638 9.109 1.00 0.00 O ATOM 0 H ASP A 115 -9.442 -7.423 8.090 1.00 0.00 H new ATOM 0 HA ASP A 115 -11.561 -8.136 8.521 1.00 0.00 H new ATOM 0 HB2 ASP A 115 -10.449 -10.543 8.795 1.00 0.00 H new ATOM 0 HB3 ASP A 115 -10.657 -10.213 10.504 1.00 0.00 H new ATOM 1681 N GLU A 116 -9.846 -7.504 11.221 1.00 0.00 N ATOM 1682 CA GLU A 116 -9.839 -6.809 12.497 1.00 0.00 C ATOM 1683 C GLU A 116 -8.574 -7.157 13.284 1.00 0.00 C ATOM 1684 O GLU A 116 -8.176 -6.419 14.184 1.00 0.00 O ATOM 1685 CB GLU A 116 -11.095 -7.136 13.306 1.00 0.00 C ATOM 1686 CG GLU A 116 -11.438 -8.624 13.210 1.00 0.00 C ATOM 1687 CD GLU A 116 -11.510 -9.262 14.599 1.00 0.00 C ATOM 1688 OE1 GLU A 116 -10.425 -9.563 15.141 1.00 0.00 O ATOM 1689 OE2 GLU A 116 -12.648 -9.433 15.086 1.00 0.00 O ATOM 0 H GLU A 116 -8.925 -7.779 10.881 1.00 0.00 H new ATOM 0 HA GLU A 116 -9.840 -5.736 12.304 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -10.941 -6.861 14.350 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -11.932 -6.542 12.940 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -12.393 -8.748 12.699 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -10.686 -9.136 12.609 1.00 0.00 H new ATOM 1696 N GLU A 117 -7.977 -8.281 12.916 1.00 0.00 N ATOM 1697 CA GLU A 117 -6.765 -8.736 13.577 1.00 0.00 C ATOM 1698 C GLU A 117 -5.539 -8.054 12.966 1.00 0.00 C ATOM 1699 O GLU A 117 -5.431 -7.941 11.746 1.00 0.00 O ATOM 1700 CB GLU A 117 -6.639 -10.259 13.503 1.00 0.00 C ATOM 1701 CG GLU A 117 -7.446 -10.931 14.615 1.00 0.00 C ATOM 1702 CD GLU A 117 -8.329 -12.047 14.054 1.00 0.00 C ATOM 1703 OE1 GLU A 117 -7.771 -13.134 13.791 1.00 0.00 O ATOM 1704 OE2 GLU A 117 -9.542 -11.788 13.900 1.00 0.00 O ATOM 0 H GLU A 117 -8.310 -8.890 12.169 1.00 0.00 H new ATOM 0 HA GLU A 117 -6.823 -8.460 14.630 1.00 0.00 H new ATOM 0 HB2 GLU A 117 -6.989 -10.610 12.532 1.00 0.00 H new ATOM 0 HB3 GLU A 117 -5.591 -10.545 13.586 1.00 0.00 H new ATOM 0 HG2 GLU A 117 -6.768 -11.340 15.364 1.00 0.00 H new ATOM 0 HG3 GLU A 117 -8.067 -10.189 15.118 1.00 0.00 H new ATOM 1711 N TYR A 118 -4.647 -7.617 13.842 1.00 0.00 N ATOM 1712 CA TYR A 118 -3.433 -6.949 13.404 1.00 0.00 C ATOM 1713 C TYR A 118 -2.404 -7.960 12.894 1.00 0.00 C ATOM 1714 O TYR A 118 -1.670 -8.555 13.682 1.00 0.00 O ATOM 1715 CB TYR A 118 -2.869 -6.245 14.640 1.00 0.00 C ATOM 1716 CG TYR A 118 -1.617 -5.411 14.364 1.00 0.00 C ATOM 1717 CD1 TYR A 118 -1.721 -4.209 13.693 1.00 0.00 C ATOM 1718 CD2 TYR A 118 -0.382 -5.861 14.786 1.00 0.00 C ATOM 1719 CE1 TYR A 118 -0.542 -3.425 13.434 1.00 0.00 C ATOM 1720 CE2 TYR A 118 0.797 -5.076 14.527 1.00 0.00 C ATOM 1721 CZ TYR A 118 0.659 -3.897 13.864 1.00 0.00 C ATOM 1722 OH TYR A 118 1.773 -3.155 13.618 1.00 0.00 O ATOM 0 H TYR A 118 -4.740 -7.712 14.853 1.00 0.00 H new ATOM 0 HA TYR A 118 -3.649 -6.256 12.590 1.00 0.00 H new ATOM 0 HB2 TYR A 118 -3.639 -5.598 15.060 1.00 0.00 H new ATOM 0 HB3 TYR A 118 -2.635 -6.994 15.397 1.00 0.00 H new ATOM 0 HD1 TYR A 118 -2.687 -3.857 13.362 1.00 0.00 H new ATOM 0 HD2 TYR A 118 -0.300 -6.802 15.310 1.00 0.00 H new ATOM 0 HE1 TYR A 118 -0.609 -2.483 12.910 1.00 0.00 H new ATOM 0 HE2 TYR A 118 1.769 -5.416 14.852 1.00 0.00 H new ATOM 0 HH TYR A 118 2.559 -3.614 13.982 1.00 0.00 H new ATOM 1732 N LYS A 119 -2.383 -8.123 11.579 1.00 0.00 N ATOM 1733 CA LYS A 119 -1.456 -9.051 10.955 1.00 0.00 C ATOM 1734 C LYS A 119 -0.022 -8.615 11.259 1.00 0.00 C ATOM 1735 O LYS A 119 0.819 -9.440 11.614 1.00 0.00 O ATOM 1736 CB LYS A 119 -1.755 -9.183 9.460 1.00 0.00 C ATOM 1737 CG LYS A 119 -3.219 -9.562 9.225 1.00 0.00 C ATOM 1738 CD LYS A 119 -3.531 -10.937 9.818 1.00 0.00 C ATOM 1739 CE LYS A 119 -4.641 -10.843 10.866 1.00 0.00 C ATOM 1740 NZ LYS A 119 -5.518 -12.033 10.801 1.00 0.00 N ATOM 0 H LYS A 119 -2.993 -7.628 10.929 1.00 0.00 H new ATOM 0 HA LYS A 119 -1.580 -10.051 11.371 1.00 0.00 H new ATOM 0 HB2 LYS A 119 -1.534 -8.242 8.957 1.00 0.00 H new ATOM 0 HB3 LYS A 119 -1.105 -9.940 9.021 1.00 0.00 H new ATOM 0 HG2 LYS A 119 -3.869 -8.812 9.675 1.00 0.00 H new ATOM 0 HG3 LYS A 119 -3.430 -9.567 8.156 1.00 0.00 H new ATOM 0 HD2 LYS A 119 -3.833 -11.620 9.024 1.00 0.00 H new ATOM 0 HD3 LYS A 119 -2.632 -11.354 10.272 1.00 0.00 H new ATOM 0 HE2 LYS A 119 -4.204 -10.760 11.861 1.00 0.00 H new ATOM 0 HE3 LYS A 119 -5.230 -9.941 10.701 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 -6.454 -11.755 10.442 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 -5.098 -12.739 10.163 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 -5.619 -12.442 11.752 1.00 0.00 H new ATOM 1754 N GLY A 120 0.214 -7.320 11.109 1.00 0.00 N ATOM 1755 CA GLY A 120 1.532 -6.765 11.364 1.00 0.00 C ATOM 1756 C GLY A 120 1.618 -5.315 10.884 1.00 0.00 C ATOM 1757 O GLY A 120 0.790 -4.484 11.254 1.00 0.00 O ATOM 0 H GLY A 120 -0.486 -6.639 10.814 1.00 0.00 H new ATOM 0 HA2 GLY A 120 1.750 -6.812 12.431 1.00 0.00 H new ATOM 0 HA3 GLY A 120 2.288 -7.365 10.857 1.00 0.00 H new ATOM 1761 N GLU A 121 2.628 -5.055 10.066 1.00 0.00 N ATOM 1762 CA GLU A 121 2.833 -3.720 9.531 1.00 0.00 C ATOM 1763 C GLU A 121 3.395 -3.797 8.110 1.00 0.00 C ATOM 1764 O GLU A 121 4.202 -4.674 7.805 1.00 0.00 O ATOM 1765 CB GLU A 121 3.752 -2.900 10.440 1.00 0.00 C ATOM 1766 CG GLU A 121 5.036 -3.669 10.758 1.00 0.00 C ATOM 1767 CD GLU A 121 5.722 -3.098 12.001 1.00 0.00 C ATOM 1768 OE1 GLU A 121 5.530 -1.889 12.251 1.00 0.00 O ATOM 1769 OE2 GLU A 121 6.424 -3.885 12.673 1.00 0.00 O ATOM 0 H GLU A 121 3.313 -5.747 9.761 1.00 0.00 H new ATOM 0 HA GLU A 121 1.868 -3.214 9.492 1.00 0.00 H new ATOM 0 HB2 GLU A 121 4.000 -1.955 9.956 1.00 0.00 H new ATOM 0 HB3 GLU A 121 3.231 -2.656 11.366 1.00 0.00 H new ATOM 0 HG2 GLU A 121 4.804 -4.722 10.917 1.00 0.00 H new ATOM 0 HG3 GLU A 121 5.715 -3.618 9.907 1.00 0.00 H new ATOM 1776 N ILE A 122 2.946 -2.869 7.279 1.00 0.00 N ATOM 1777 CA ILE A 122 3.393 -2.821 5.897 1.00 0.00 C ATOM 1778 C ILE A 122 4.196 -1.538 5.669 1.00 0.00 C ATOM 1779 O ILE A 122 3.695 -0.439 5.904 1.00 0.00 O ATOM 1780 CB ILE A 122 2.208 -2.983 4.944 1.00 0.00 C ATOM 1781 CG1 ILE A 122 2.683 -3.122 3.496 1.00 0.00 C ATOM 1782 CG2 ILE A 122 1.209 -1.836 5.111 1.00 0.00 C ATOM 1783 CD1 ILE A 122 1.503 -3.066 2.524 1.00 0.00 C ATOM 0 H ILE A 122 2.277 -2.144 7.536 1.00 0.00 H new ATOM 0 HA ILE A 122 4.060 -3.657 5.683 1.00 0.00 H new ATOM 0 HB ILE A 122 1.687 -3.905 5.202 1.00 0.00 H new ATOM 0 HG12 ILE A 122 3.389 -2.325 3.263 1.00 0.00 H new ATOM 0 HG13 ILE A 122 3.215 -4.065 3.373 1.00 0.00 H new ATOM 0 HG21 ILE A 122 0.376 -1.976 4.422 1.00 0.00 H new ATOM 0 HG22 ILE A 122 0.835 -1.825 6.135 1.00 0.00 H new ATOM 0 HG23 ILE A 122 1.703 -0.889 4.896 1.00 0.00 H new ATOM 0 HD11 ILE A 122 1.868 -3.167 1.502 1.00 0.00 H new ATOM 0 HD12 ILE A 122 0.811 -3.879 2.744 1.00 0.00 H new ATOM 0 HD13 ILE A 122 0.987 -2.112 2.632 1.00 0.00 H new ATOM 1795 N TRP A 123 5.427 -1.721 5.215 1.00 0.00 N ATOM 1796 CA TRP A 123 6.303 -0.592 4.953 1.00 0.00 C ATOM 1797 C TRP A 123 6.018 -0.091 3.536 1.00 0.00 C ATOM 1798 O TRP A 123 6.121 -0.850 2.573 1.00 0.00 O ATOM 1799 CB TRP A 123 7.769 -0.973 5.169 1.00 0.00 C ATOM 1800 CG TRP A 123 8.152 -1.167 6.637 1.00 0.00 C ATOM 1801 CD1 TRP A 123 7.796 -2.165 7.458 1.00 0.00 C ATOM 1802 CD2 TRP A 123 8.985 -0.296 7.431 1.00 0.00 C ATOM 1803 NE1 TRP A 123 8.336 -2.000 8.718 1.00 0.00 N ATOM 1804 CE2 TRP A 123 9.082 -0.828 8.700 1.00 0.00 C ATOM 1805 CE3 TRP A 123 9.635 0.903 7.087 1.00 0.00 C ATOM 1806 CZ2 TRP A 123 9.821 -0.230 9.728 1.00 0.00 C ATOM 1807 CZ3 TRP A 123 10.369 1.488 8.125 1.00 0.00 C ATOM 1808 CH2 TRP A 123 10.477 0.965 9.408 1.00 0.00 C ATOM 0 H TRP A 123 5.838 -2.634 5.022 1.00 0.00 H new ATOM 0 HA TRP A 123 6.107 0.219 5.655 1.00 0.00 H new ATOM 0 HB2 TRP A 123 7.978 -1.894 4.625 1.00 0.00 H new ATOM 0 HB3 TRP A 123 8.402 -0.197 4.738 1.00 0.00 H new ATOM 0 HD1 TRP A 123 7.166 -2.994 7.170 1.00 0.00 H new ATOM 0 HE1 TRP A 123 8.210 -2.624 9.515 1.00 0.00 H new ATOM 0 HE3 TRP A 123 9.573 1.338 6.100 1.00 0.00 H new ATOM 0 HZ2 TRP A 123 9.882 -0.667 10.714 1.00 0.00 H new ATOM 0 HZ3 TRP A 123 10.888 2.411 7.914 1.00 0.00 H new ATOM 0 HH2 TRP A 123 11.064 1.478 10.155 1.00 0.00 H new ATOM 1819 N VAL A 124 5.665 1.183 3.453 1.00 0.00 N ATOM 1820 CA VAL A 124 5.364 1.794 2.169 1.00 0.00 C ATOM 1821 C VAL A 124 5.646 3.296 2.245 1.00 0.00 C ATOM 1822 O VAL A 124 5.339 3.939 3.248 1.00 0.00 O ATOM 1823 CB VAL A 124 3.924 1.476 1.763 1.00 0.00 C ATOM 1824 CG1 VAL A 124 3.633 1.969 0.344 1.00 0.00 C ATOM 1825 CG2 VAL A 124 3.635 -0.021 1.893 1.00 0.00 C ATOM 0 H VAL A 124 5.581 1.809 4.254 1.00 0.00 H new ATOM 0 HA VAL A 124 6.006 1.382 1.390 1.00 0.00 H new ATOM 0 HB VAL A 124 3.259 2.006 2.445 1.00 0.00 H new ATOM 0 HG11 VAL A 124 2.603 1.730 0.080 1.00 0.00 H new ATOM 0 HG12 VAL A 124 3.779 3.048 0.297 1.00 0.00 H new ATOM 0 HG13 VAL A 124 4.310 1.480 -0.357 1.00 0.00 H new ATOM 0 HG21 VAL A 124 2.605 -0.220 1.598 1.00 0.00 H new ATOM 0 HG22 VAL A 124 4.312 -0.580 1.246 1.00 0.00 H new ATOM 0 HG23 VAL A 124 3.783 -0.332 2.927 1.00 0.00 H new ATOM 1835 N ALA A 125 6.228 3.811 1.172 1.00 0.00 N ATOM 1836 CA ALA A 125 6.555 5.226 1.105 1.00 0.00 C ATOM 1837 C ALA A 125 5.621 5.914 0.108 1.00 0.00 C ATOM 1838 O ALA A 125 5.322 5.362 -0.950 1.00 0.00 O ATOM 1839 CB ALA A 125 8.030 5.392 0.732 1.00 0.00 C ATOM 0 H ALA A 125 6.482 3.275 0.342 1.00 0.00 H new ATOM 0 HA ALA A 125 6.409 5.700 2.075 1.00 0.00 H new ATOM 0 HB1 ALA A 125 8.275 6.453 0.682 1.00 0.00 H new ATOM 0 HB2 ALA A 125 8.652 4.911 1.486 1.00 0.00 H new ATOM 0 HB3 ALA A 125 8.214 4.931 -0.238 1.00 0.00 H new ATOM 1845 N LEU A 126 5.186 7.109 0.481 1.00 0.00 N ATOM 1846 CA LEU A 126 4.292 7.878 -0.368 1.00 0.00 C ATOM 1847 C LEU A 126 5.007 9.146 -0.839 1.00 0.00 C ATOM 1848 O LEU A 126 5.639 9.839 -0.042 1.00 0.00 O ATOM 1849 CB LEU A 126 2.970 8.149 0.354 1.00 0.00 C ATOM 1850 CG LEU A 126 2.271 6.928 0.955 1.00 0.00 C ATOM 1851 CD1 LEU A 126 1.292 7.344 2.055 1.00 0.00 C ATOM 1852 CD2 LEU A 126 1.591 6.095 -0.133 1.00 0.00 C ATOM 0 H LEU A 126 5.436 7.563 1.359 1.00 0.00 H new ATOM 0 HA LEU A 126 4.031 7.309 -1.261 1.00 0.00 H new ATOM 0 HB2 LEU A 126 3.156 8.866 1.153 1.00 0.00 H new ATOM 0 HB3 LEU A 126 2.286 8.625 -0.349 1.00 0.00 H new ATOM 0 HG LEU A 126 3.027 6.295 1.419 1.00 0.00 H new ATOM 0 HD11 LEU A 126 0.808 6.458 2.466 1.00 0.00 H new ATOM 0 HD12 LEU A 126 1.833 7.862 2.847 1.00 0.00 H new ATOM 0 HD13 LEU A 126 0.536 8.009 1.637 1.00 0.00 H new ATOM 0 HD21 LEU A 126 1.102 5.233 0.321 1.00 0.00 H new ATOM 0 HD22 LEU A 126 0.848 6.705 -0.647 1.00 0.00 H new ATOM 0 HD23 LEU A 126 2.338 5.753 -0.849 1.00 0.00 H new ATOM 1864 N SER A 127 4.885 9.411 -2.131 1.00 0.00 N ATOM 1865 CA SER A 127 5.512 10.583 -2.717 1.00 0.00 C ATOM 1866 C SER A 127 4.551 11.255 -3.700 1.00 0.00 C ATOM 1867 O SER A 127 4.287 10.723 -4.777 1.00 0.00 O ATOM 1868 CB SER A 127 6.819 10.214 -3.422 1.00 0.00 C ATOM 1869 OG SER A 127 7.945 10.853 -2.827 1.00 0.00 O ATOM 0 H SER A 127 4.361 8.834 -2.789 1.00 0.00 H new ATOM 0 HA SER A 127 5.748 11.282 -1.914 1.00 0.00 H new ATOM 0 HB2 SER A 127 6.956 9.133 -3.389 1.00 0.00 H new ATOM 0 HB3 SER A 127 6.756 10.495 -4.473 1.00 0.00 H new ATOM 0 HG SER A 127 8.760 10.591 -3.304 1.00 0.00 H new ATOM 1875 N PHE A 128 4.054 12.413 -3.293 1.00 0.00 N ATOM 1876 CA PHE A 128 3.127 13.163 -4.124 1.00 0.00 C ATOM 1877 C PHE A 128 3.874 14.143 -5.031 1.00 0.00 C ATOM 1878 O PHE A 128 4.986 14.564 -4.714 1.00 0.00 O ATOM 1879 CB PHE A 128 2.217 13.952 -3.180 1.00 0.00 C ATOM 1880 CG PHE A 128 1.060 14.664 -3.882 1.00 0.00 C ATOM 1881 CD1 PHE A 128 0.185 13.953 -4.643 1.00 0.00 C ATOM 1882 CD2 PHE A 128 0.905 16.009 -3.746 1.00 0.00 C ATOM 1883 CE1 PHE A 128 -0.890 14.614 -5.295 1.00 0.00 C ATOM 1884 CE2 PHE A 128 -0.169 16.670 -4.398 1.00 0.00 C ATOM 1885 CZ PHE A 128 -1.044 15.958 -5.159 1.00 0.00 C ATOM 0 H PHE A 128 4.275 12.851 -2.399 1.00 0.00 H new ATOM 0 HA PHE A 128 2.561 12.481 -4.759 1.00 0.00 H new ATOM 0 HB2 PHE A 128 1.811 13.272 -2.431 1.00 0.00 H new ATOM 0 HB3 PHE A 128 2.816 14.691 -2.648 1.00 0.00 H new ATOM 0 HD1 PHE A 128 0.308 12.885 -4.752 1.00 0.00 H new ATOM 0 HD2 PHE A 128 1.599 16.574 -3.142 1.00 0.00 H new ATOM 0 HE1 PHE A 128 -1.585 14.049 -5.899 1.00 0.00 H new ATOM 0 HE2 PHE A 128 -0.292 17.738 -4.290 1.00 0.00 H new ATOM 0 HZ PHE A 128 -1.861 16.461 -5.655 1.00 0.00 H new ATOM 1895 N LYS A 129 3.233 14.478 -6.141 1.00 0.00 N ATOM 1896 CA LYS A 129 3.823 15.401 -7.096 1.00 0.00 C ATOM 1897 C LYS A 129 2.740 16.344 -7.624 1.00 0.00 C ATOM 1898 O LYS A 129 2.076 16.040 -8.614 1.00 0.00 O ATOM 1899 CB LYS A 129 4.561 14.635 -8.196 1.00 0.00 C ATOM 1900 CG LYS A 129 5.964 14.233 -7.737 1.00 0.00 C ATOM 1901 CD LYS A 129 6.485 13.043 -8.545 1.00 0.00 C ATOM 1902 CE LYS A 129 7.318 12.106 -7.667 1.00 0.00 C ATOM 1903 NZ LYS A 129 7.811 10.957 -8.458 1.00 0.00 N ATOM 0 H LYS A 129 2.311 14.127 -6.400 1.00 0.00 H new ATOM 0 HA LYS A 129 4.577 16.021 -6.610 1.00 0.00 H new ATOM 0 HB2 LYS A 129 3.994 13.744 -8.467 1.00 0.00 H new ATOM 0 HB3 LYS A 129 4.630 15.253 -9.091 1.00 0.00 H new ATOM 0 HG2 LYS A 129 6.643 15.078 -7.849 1.00 0.00 H new ATOM 0 HG3 LYS A 129 5.945 13.977 -6.678 1.00 0.00 H new ATOM 0 HD2 LYS A 129 5.646 12.495 -8.974 1.00 0.00 H new ATOM 0 HD3 LYS A 129 7.091 13.401 -9.377 1.00 0.00 H new ATOM 0 HE2 LYS A 129 8.161 12.650 -7.241 1.00 0.00 H new ATOM 0 HE3 LYS A 129 6.715 11.749 -6.832 1.00 0.00 H new ATOM 0 HZ1 LYS A 129 8.374 10.331 -7.847 1.00 0.00 H new ATOM 0 HZ2 LYS A 129 7.003 10.429 -8.844 1.00 0.00 H new ATOM 0 HZ3 LYS A 129 8.403 11.302 -9.240 1.00 0.00 H new ATOM 1917 N PRO A 130 2.590 17.498 -6.921 1.00 0.00 N ATOM 1918 CA PRO A 130 1.598 18.487 -7.309 1.00 0.00 C ATOM 1919 C PRO A 130 2.050 19.260 -8.549 1.00 0.00 C ATOM 1920 O PRO A 130 3.232 19.568 -8.696 1.00 0.00 O ATOM 1921 CB PRO A 130 1.428 19.374 -6.086 1.00 0.00 C ATOM 1922 CG PRO A 130 2.658 19.138 -5.225 1.00 0.00 C ATOM 1923 CD PRO A 130 3.358 17.892 -5.743 1.00 0.00 C ATOM 0 HA PRO A 130 0.647 18.038 -7.595 1.00 0.00 H new ATOM 0 HB2 PRO A 130 1.347 20.423 -6.372 1.00 0.00 H new ATOM 0 HB3 PRO A 130 0.517 19.121 -5.543 1.00 0.00 H new ATOM 0 HG2 PRO A 130 3.326 19.998 -5.270 1.00 0.00 H new ATOM 0 HG3 PRO A 130 2.374 19.010 -4.181 1.00 0.00 H new ATOM 0 HD2 PRO A 130 4.397 18.099 -5.999 1.00 0.00 H new ATOM 0 HD3 PRO A 130 3.366 17.101 -4.993 1.00 0.00 H new ATOM 1931 N SER A 131 1.086 19.552 -9.409 1.00 0.00 N ATOM 1932 CA SER A 131 1.370 20.283 -10.632 1.00 0.00 C ATOM 1933 C SER A 131 1.095 21.774 -10.427 1.00 0.00 C ATOM 1934 O SER A 131 0.282 22.363 -11.138 1.00 0.00 O ATOM 1935 CB SER A 131 0.541 19.746 -11.801 1.00 0.00 C ATOM 1936 OG SER A 131 0.717 18.344 -11.980 1.00 0.00 O ATOM 0 H SER A 131 0.107 19.296 -9.283 1.00 0.00 H new ATOM 0 HA SER A 131 2.423 20.145 -10.875 1.00 0.00 H new ATOM 0 HB2 SER A 131 -0.513 19.960 -11.626 1.00 0.00 H new ATOM 0 HB3 SER A 131 0.824 20.267 -12.716 1.00 0.00 H new ATOM 0 HG SER A 131 0.170 18.039 -12.734 1.00 0.00 H new