USER MOD reduce.3.24.130724 H: found=0, std=0, add=541, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 543 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 68 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 71 SER OG : rot 139:sc= -0.178 USER MOD Set 2.1: A 3 HIS : no HD1:sc= -2.2 K(o=-2.6,f=-5!) USER MOD Set 2.2: A 81 THR OG1 : rot -70:sc= -0.406 USER MOD Single : A 2 GLN : amide:sc= -0.181 K(o=-0.18,f=-3.3!) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 9 GLN :FLIP amide:sc= -0.201 F(o=-4.9!,f=-0.2) USER MOD Single : A 33 ASN : amide:sc= -0.934 K(o=-0.93,f=-1.5) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ -152:sc= -0.789 (180deg=-1.63!) USER MOD Single : A 62 SER OG : rot -22:sc= 0.781 USER MOD Single : A 65 HIS : no HE2:sc= -1.77 K(o=-1.8,f=-3!) USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 20 N GLN A 2 10.730 -5.507 0.360 1.00 0.00 N ATOM 21 CA GLN A 2 10.604 -6.514 -0.732 1.00 0.00 C ATOM 22 C GLN A 2 9.566 -6.040 -1.751 1.00 0.00 C ATOM 23 O GLN A 2 9.722 -6.226 -2.941 1.00 0.00 O ATOM 24 CB GLN A 2 10.151 -7.851 -0.140 1.00 0.00 C ATOM 25 CG GLN A 2 11.217 -8.374 0.825 1.00 0.00 C ATOM 26 CD GLN A 2 10.749 -9.697 1.434 1.00 0.00 C ATOM 27 OE1 GLN A 2 9.585 -10.035 1.360 1.00 0.00 O ATOM 28 NE2 GLN A 2 11.614 -10.464 2.040 1.00 0.00 N ATOM 0 HA GLN A 2 11.569 -6.635 -1.224 1.00 0.00 H new ATOM 0 HB2 GLN A 2 9.203 -7.726 0.383 1.00 0.00 H new ATOM 0 HB3 GLN A 2 9.982 -8.574 -0.938 1.00 0.00 H new ATOM 0 HG2 GLN A 2 12.161 -8.517 0.298 1.00 0.00 H new ATOM 0 HG3 GLN A 2 11.400 -7.643 1.613 1.00 0.00 H new ATOM 0 HE21 GLN A 2 12.592 -10.180 2.102 1.00 0.00 H new ATOM 0 HE22 GLN A 2 11.312 -11.347 2.451 1.00 0.00 H new ATOM 37 N HIS A 3 8.503 -5.435 -1.293 1.00 0.00 N ATOM 38 CA HIS A 3 7.454 -4.958 -2.238 1.00 0.00 C ATOM 39 C HIS A 3 6.943 -3.586 -1.794 1.00 0.00 C ATOM 40 O HIS A 3 5.998 -3.058 -2.344 1.00 0.00 O ATOM 41 CB HIS A 3 6.293 -5.951 -2.245 1.00 0.00 C ATOM 42 CG HIS A 3 6.827 -7.340 -2.454 1.00 0.00 C ATOM 43 ND1 HIS A 3 7.101 -8.194 -1.394 1.00 0.00 N ATOM 44 CD2 HIS A 3 7.146 -8.038 -3.592 1.00 0.00 C ATOM 45 CE1 HIS A 3 7.565 -9.346 -1.912 1.00 0.00 C ATOM 46 NE2 HIS A 3 7.612 -9.301 -3.244 1.00 0.00 N ATOM 0 H HIS A 3 8.316 -5.251 -0.307 1.00 0.00 H new ATOM 0 HA HIS A 3 7.878 -4.878 -3.239 1.00 0.00 H new ATOM 0 HB2 HIS A 3 5.748 -5.897 -1.303 1.00 0.00 H new ATOM 0 HB3 HIS A 3 5.588 -5.698 -3.036 1.00 0.00 H new ATOM 0 HD2 HIS A 3 7.050 -7.664 -4.601 1.00 0.00 H new ATOM 0 HE1 HIS A 3 7.862 -10.201 -1.322 1.00 0.00 H new ATOM 0 HE2 HIS A 3 7.924 -10.039 -3.875 1.00 0.00 H new ATOM 55 N ALA A 4 7.553 -3.005 -0.797 1.00 0.00 N ATOM 56 CA ALA A 4 7.089 -1.674 -0.317 1.00 0.00 C ATOM 57 C ALA A 4 7.169 -0.657 -1.456 1.00 0.00 C ATOM 58 O ALA A 4 6.360 0.246 -1.550 1.00 0.00 O ATOM 59 CB ALA A 4 7.972 -1.210 0.842 1.00 0.00 C ATOM 0 H ALA A 4 8.351 -3.394 -0.295 1.00 0.00 H new ATOM 0 HA ALA A 4 6.056 -1.756 0.022 1.00 0.00 H new ATOM 0 HB1 ALA A 4 7.631 -0.236 1.192 1.00 0.00 H new ATOM 0 HB2 ALA A 4 7.910 -1.931 1.658 1.00 0.00 H new ATOM 0 HB3 ALA A 4 9.005 -1.133 0.504 1.00 0.00 H new ATOM 65 N SER A 5 8.138 -0.786 -2.321 1.00 0.00 N ATOM 66 CA SER A 5 8.259 0.186 -3.444 1.00 0.00 C ATOM 67 C SER A 5 6.983 0.158 -4.286 1.00 0.00 C ATOM 68 O SER A 5 6.441 1.185 -4.642 1.00 0.00 O ATOM 69 CB SER A 5 9.457 -0.187 -4.318 1.00 0.00 C ATOM 70 OG SER A 5 9.679 0.839 -5.275 1.00 0.00 O ATOM 0 H SER A 5 8.848 -1.518 -2.299 1.00 0.00 H new ATOM 0 HA SER A 5 8.404 1.188 -3.040 1.00 0.00 H new ATOM 0 HB2 SER A 5 10.345 -0.321 -3.700 1.00 0.00 H new ATOM 0 HB3 SER A 5 9.273 -1.136 -4.822 1.00 0.00 H new ATOM 0 HG SER A 5 10.447 0.603 -5.835 1.00 0.00 H new ATOM 76 N VAL A 6 6.491 -1.009 -4.595 1.00 0.00 N ATOM 77 CA VAL A 6 5.241 -1.095 -5.398 1.00 0.00 C ATOM 78 C VAL A 6 4.095 -0.504 -4.582 1.00 0.00 C ATOM 79 O VAL A 6 3.202 0.134 -5.101 1.00 0.00 O ATOM 80 CB VAL A 6 4.936 -2.556 -5.725 1.00 0.00 C ATOM 81 CG1 VAL A 6 3.558 -2.657 -6.382 1.00 0.00 C ATOM 82 CG2 VAL A 6 5.998 -3.096 -6.685 1.00 0.00 C ATOM 0 H VAL A 6 6.899 -1.904 -4.327 1.00 0.00 H new ATOM 0 HA VAL A 6 5.361 -0.542 -6.329 1.00 0.00 H new ATOM 0 HB VAL A 6 4.944 -3.142 -4.806 1.00 0.00 H new ATOM 0 HG11 VAL A 6 3.341 -3.700 -6.615 1.00 0.00 H new ATOM 0 HG12 VAL A 6 2.800 -2.273 -5.699 1.00 0.00 H new ATOM 0 HG13 VAL A 6 3.549 -2.071 -7.301 1.00 0.00 H new ATOM 0 HG21 VAL A 6 5.781 -4.138 -6.919 1.00 0.00 H new ATOM 0 HG22 VAL A 6 5.990 -2.509 -7.603 1.00 0.00 H new ATOM 0 HG23 VAL A 6 6.980 -3.026 -6.218 1.00 0.00 H new ATOM 92 N ILE A 7 4.116 -0.723 -3.300 1.00 0.00 N ATOM 93 CA ILE A 7 3.038 -0.186 -2.430 1.00 0.00 C ATOM 94 C ILE A 7 3.099 1.344 -2.396 1.00 0.00 C ATOM 95 O ILE A 7 2.088 2.013 -2.440 1.00 0.00 O ATOM 96 CB ILE A 7 3.226 -0.732 -1.018 1.00 0.00 C ATOM 97 CG1 ILE A 7 3.125 -2.258 -1.051 1.00 0.00 C ATOM 98 CG2 ILE A 7 2.140 -0.169 -0.101 1.00 0.00 C ATOM 99 CD1 ILE A 7 3.483 -2.824 0.322 1.00 0.00 C ATOM 0 H ILE A 7 4.838 -1.254 -2.814 1.00 0.00 H new ATOM 0 HA ILE A 7 2.069 -0.491 -2.825 1.00 0.00 H new ATOM 0 HB ILE A 7 4.205 -0.437 -0.640 1.00 0.00 H new ATOM 0 HG12 ILE A 7 2.115 -2.560 -1.328 1.00 0.00 H new ATOM 0 HG13 ILE A 7 3.797 -2.661 -1.808 1.00 0.00 H new ATOM 0 HG21 ILE A 7 2.276 -0.560 0.907 1.00 0.00 H new ATOM 0 HG22 ILE A 7 2.209 0.919 -0.080 1.00 0.00 H new ATOM 0 HG23 ILE A 7 1.159 -0.463 -0.475 1.00 0.00 H new ATOM 0 HD11 ILE A 7 3.411 -3.911 0.297 1.00 0.00 H new ATOM 0 HD12 ILE A 7 4.501 -2.534 0.581 1.00 0.00 H new ATOM 0 HD13 ILE A 7 2.793 -2.431 1.069 1.00 0.00 H new ATOM 111 N ALA A 8 4.274 1.905 -2.299 1.00 0.00 N ATOM 112 CA ALA A 8 4.385 3.392 -2.240 1.00 0.00 C ATOM 113 C ALA A 8 3.866 4.013 -3.537 1.00 0.00 C ATOM 114 O ALA A 8 3.050 4.913 -3.520 1.00 0.00 O ATOM 115 CB ALA A 8 5.849 3.786 -2.044 1.00 0.00 C ATOM 0 H ALA A 8 5.160 1.400 -2.258 1.00 0.00 H new ATOM 0 HA ALA A 8 3.787 3.757 -1.405 1.00 0.00 H new ATOM 0 HB1 ALA A 8 5.931 4.872 -2.001 1.00 0.00 H new ATOM 0 HB2 ALA A 8 6.220 3.357 -1.113 1.00 0.00 H new ATOM 0 HB3 ALA A 8 6.442 3.410 -2.878 1.00 0.00 H new ATOM 121 N GLN A 9 4.326 3.541 -4.659 1.00 0.00 N ATOM 122 CA GLN A 9 3.846 4.110 -5.950 1.00 0.00 C ATOM 123 C GLN A 9 2.392 3.699 -6.173 1.00 0.00 C ATOM 124 O GLN A 9 1.566 4.492 -6.578 1.00 0.00 O ATOM 125 CB GLN A 9 4.716 3.609 -7.109 1.00 0.00 C ATOM 126 CG GLN A 9 4.902 2.094 -7.010 1.00 0.00 C ATOM 127 CD GLN A 9 4.270 1.421 -8.230 1.00 0.00 C ATOM 128 OE1 GLN A 9 2.978 1.250 -8.269 1.00 0.00 O flip ATOM 129 NE2 GLN A 9 4.961 1.049 -9.158 1.00 0.00 N flip ATOM 0 H GLN A 9 5.011 2.789 -4.740 1.00 0.00 H new ATOM 0 HA GLN A 9 3.916 5.197 -5.910 1.00 0.00 H new ATOM 0 HB2 GLN A 9 4.250 3.865 -8.061 1.00 0.00 H new ATOM 0 HB3 GLN A 9 5.687 4.105 -7.086 1.00 0.00 H new ATOM 0 HG2 GLN A 9 5.963 1.850 -6.956 1.00 0.00 H new ATOM 0 HG3 GLN A 9 4.442 1.719 -6.096 1.00 0.00 H new ATOM 0 HE21 GLN A 9 5.972 1.183 -9.127 1.00 0.00 H new ATOM 0 HE22 GLN A 9 4.530 0.603 -9.968 1.00 0.00 H new ATOM 138 N PHE A 10 2.071 2.464 -5.902 1.00 0.00 N ATOM 139 CA PHE A 10 0.669 1.998 -6.091 1.00 0.00 C ATOM 140 C PHE A 10 -0.256 2.782 -5.159 1.00 0.00 C ATOM 141 O PHE A 10 -1.277 3.295 -5.569 1.00 0.00 O ATOM 142 CB PHE A 10 0.581 0.507 -5.763 1.00 0.00 C ATOM 143 CG PHE A 10 -0.811 0.006 -6.058 1.00 0.00 C ATOM 144 CD1 PHE A 10 -1.771 -0.030 -5.040 1.00 0.00 C ATOM 145 CD2 PHE A 10 -1.141 -0.426 -7.347 1.00 0.00 C ATOM 146 CE1 PHE A 10 -3.062 -0.497 -5.312 1.00 0.00 C ATOM 147 CE2 PHE A 10 -2.432 -0.892 -7.619 1.00 0.00 C ATOM 148 CZ PHE A 10 -3.392 -0.928 -6.602 1.00 0.00 C ATOM 0 H PHE A 10 2.720 1.757 -5.557 1.00 0.00 H new ATOM 0 HA PHE A 10 0.366 2.161 -7.125 1.00 0.00 H new ATOM 0 HB2 PHE A 10 1.311 -0.049 -6.351 1.00 0.00 H new ATOM 0 HB3 PHE A 10 0.824 0.340 -4.714 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -1.516 0.303 -4.045 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -0.400 -0.400 -8.132 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -3.803 -0.525 -4.527 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -2.687 -1.224 -8.614 1.00 0.00 H new ATOM 0 HZ PHE A 10 -4.388 -1.288 -6.812 1.00 0.00 H new ATOM 158 N VAL A 11 0.099 2.879 -3.909 1.00 0.00 N ATOM 159 CA VAL A 11 -0.754 3.632 -2.947 1.00 0.00 C ATOM 160 C VAL A 11 -0.768 5.110 -3.333 1.00 0.00 C ATOM 161 O VAL A 11 -1.800 5.750 -3.356 1.00 0.00 O ATOM 162 CB VAL A 11 -0.180 3.482 -1.539 1.00 0.00 C ATOM 163 CG1 VAL A 11 -0.918 4.421 -0.584 1.00 0.00 C ATOM 164 CG2 VAL A 11 -0.355 2.037 -1.069 1.00 0.00 C ATOM 0 H VAL A 11 0.944 2.469 -3.511 1.00 0.00 H new ATOM 0 HA VAL A 11 -1.770 3.238 -2.972 1.00 0.00 H new ATOM 0 HB VAL A 11 0.880 3.735 -1.550 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -0.508 4.314 0.420 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -0.794 5.451 -0.918 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -1.978 4.168 -0.572 1.00 0.00 H new ATOM 0 HG21 VAL A 11 0.054 1.929 -0.065 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -1.415 1.784 -1.058 1.00 0.00 H new ATOM 0 HG23 VAL A 11 0.171 1.367 -1.749 1.00 0.00 H new ATOM 174 N VAL A 12 0.376 5.654 -3.638 1.00 0.00 N ATOM 175 CA VAL A 12 0.444 7.089 -4.025 1.00 0.00 C ATOM 176 C VAL A 12 -0.295 7.296 -5.348 1.00 0.00 C ATOM 177 O VAL A 12 -0.947 8.300 -5.555 1.00 0.00 O ATOM 178 CB VAL A 12 1.907 7.498 -4.180 1.00 0.00 C ATOM 179 CG1 VAL A 12 1.989 8.920 -4.734 1.00 0.00 C ATOM 180 CG2 VAL A 12 2.598 7.445 -2.816 1.00 0.00 C ATOM 0 H VAL A 12 1.271 5.164 -3.636 1.00 0.00 H new ATOM 0 HA VAL A 12 -0.024 7.701 -3.254 1.00 0.00 H new ATOM 0 HB VAL A 12 2.401 6.812 -4.868 1.00 0.00 H new ATOM 0 HG11 VAL A 12 3.035 9.208 -4.843 1.00 0.00 H new ATOM 0 HG12 VAL A 12 1.498 8.961 -5.706 1.00 0.00 H new ATOM 0 HG13 VAL A 12 1.493 9.607 -4.048 1.00 0.00 H new ATOM 0 HG21 VAL A 12 3.642 7.737 -2.926 1.00 0.00 H new ATOM 0 HG22 VAL A 12 2.100 8.129 -2.129 1.00 0.00 H new ATOM 0 HG23 VAL A 12 2.544 6.431 -2.420 1.00 0.00 H new ATOM 190 N GLU A 13 -0.195 6.354 -6.245 1.00 0.00 N ATOM 191 CA GLU A 13 -0.884 6.495 -7.559 1.00 0.00 C ATOM 192 C GLU A 13 -2.365 6.806 -7.337 1.00 0.00 C ATOM 193 O GLU A 13 -2.994 7.474 -8.133 1.00 0.00 O ATOM 194 CB GLU A 13 -0.751 5.195 -8.348 1.00 0.00 C ATOM 195 CG GLU A 13 -1.347 5.379 -9.741 1.00 0.00 C ATOM 196 CD GLU A 13 -1.306 4.049 -10.496 1.00 0.00 C ATOM 197 OE1 GLU A 13 -0.855 3.074 -9.916 1.00 0.00 O ATOM 198 OE2 GLU A 13 -1.725 4.027 -11.642 1.00 0.00 O ATOM 0 H GLU A 13 0.335 5.491 -6.124 1.00 0.00 H new ATOM 0 HA GLU A 13 -0.425 7.310 -8.118 1.00 0.00 H new ATOM 0 HB2 GLU A 13 0.298 4.910 -8.425 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -1.263 4.387 -7.826 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -2.375 5.734 -9.664 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -0.788 6.138 -10.289 1.00 0.00 H new ATOM 205 N GLU A 14 -2.929 6.323 -6.266 1.00 0.00 N ATOM 206 CA GLU A 14 -4.371 6.590 -6.001 1.00 0.00 C ATOM 207 C GLU A 14 -4.581 8.087 -5.754 1.00 0.00 C ATOM 208 O GLU A 14 -5.619 8.636 -6.064 1.00 0.00 O ATOM 209 CB GLU A 14 -4.819 5.800 -4.770 1.00 0.00 C ATOM 210 CG GLU A 14 -4.733 4.302 -5.066 1.00 0.00 C ATOM 211 CD GLU A 14 -5.243 3.512 -3.859 1.00 0.00 C ATOM 212 OE1 GLU A 14 -5.401 2.309 -3.987 1.00 0.00 O ATOM 213 OE2 GLU A 14 -5.467 4.124 -2.827 1.00 0.00 O ATOM 0 H GLU A 14 -2.455 5.756 -5.563 1.00 0.00 H new ATOM 0 HA GLU A 14 -4.960 6.281 -6.865 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -4.190 6.049 -3.916 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -5.841 6.071 -4.503 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -5.325 4.061 -5.949 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -3.703 4.023 -5.287 1.00 0.00 H new ATOM 220 N PHE A 15 -3.604 8.752 -5.199 1.00 0.00 N ATOM 221 CA PHE A 15 -3.755 10.212 -4.938 1.00 0.00 C ATOM 222 C PHE A 15 -2.412 10.916 -5.162 1.00 0.00 C ATOM 223 O PHE A 15 -2.001 11.748 -4.379 1.00 0.00 O ATOM 224 CB PHE A 15 -4.214 10.426 -3.491 1.00 0.00 C ATOM 225 CG PHE A 15 -3.128 9.981 -2.541 1.00 0.00 C ATOM 226 CD1 PHE A 15 -2.959 8.619 -2.260 1.00 0.00 C ATOM 227 CD2 PHE A 15 -2.293 10.928 -1.935 1.00 0.00 C ATOM 228 CE1 PHE A 15 -1.956 8.205 -1.377 1.00 0.00 C ATOM 229 CE2 PHE A 15 -1.289 10.513 -1.051 1.00 0.00 C ATOM 230 CZ PHE A 15 -1.121 9.152 -0.772 1.00 0.00 C ATOM 0 H PHE A 15 -2.711 8.349 -4.916 1.00 0.00 H new ATOM 0 HA PHE A 15 -4.497 10.628 -5.619 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -4.447 11.478 -3.325 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -5.128 9.863 -3.302 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -3.604 7.888 -2.725 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -2.423 11.978 -2.149 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -1.826 7.155 -1.162 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -0.644 11.243 -0.585 1.00 0.00 H new ATOM 0 HZ PHE A 15 -0.347 8.832 -0.090 1.00 0.00 H new ATOM 240 N LEU A 16 -1.724 10.588 -6.222 1.00 0.00 N ATOM 241 CA LEU A 16 -0.410 11.240 -6.484 1.00 0.00 C ATOM 242 C LEU A 16 -0.618 12.619 -7.123 1.00 0.00 C ATOM 243 O LEU A 16 -1.334 12.750 -8.096 1.00 0.00 O ATOM 244 CB LEU A 16 0.441 10.346 -7.410 1.00 0.00 C ATOM 245 CG LEU A 16 0.294 10.732 -8.895 1.00 0.00 C ATOM 246 CD1 LEU A 16 1.186 9.815 -9.733 1.00 0.00 C ATOM 247 CD2 LEU A 16 -1.158 10.559 -9.357 1.00 0.00 C ATOM 0 H LEU A 16 -2.014 9.899 -6.916 1.00 0.00 H new ATOM 0 HA LEU A 16 0.114 11.373 -5.538 1.00 0.00 H new ATOM 0 HB2 LEU A 16 1.489 10.420 -7.120 1.00 0.00 H new ATOM 0 HB3 LEU A 16 0.147 9.305 -7.277 1.00 0.00 H new ATOM 0 HG LEU A 16 0.585 11.775 -9.019 1.00 0.00 H new ATOM 0 HD11 LEU A 16 1.091 10.078 -10.786 1.00 0.00 H new ATOM 0 HD12 LEU A 16 2.224 9.933 -9.422 1.00 0.00 H new ATOM 0 HD13 LEU A 16 0.880 8.779 -9.589 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -1.241 10.837 -10.408 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -1.458 9.519 -9.232 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -1.808 11.199 -8.760 1.00 0.00 H new ATOM 301 N ALA A 20 6.188 12.772 -8.847 1.00 0.00 N ATOM 302 CA ALA A 20 6.323 11.299 -9.017 1.00 0.00 C ATOM 303 C ALA A 20 6.604 10.654 -7.648 1.00 0.00 C ATOM 304 O ALA A 20 7.337 11.204 -6.849 1.00 0.00 O ATOM 305 CB ALA A 20 7.489 11.004 -9.964 1.00 0.00 C ATOM 0 HA ALA A 20 5.401 10.891 -9.433 1.00 0.00 H new ATOM 0 HB1 ALA A 20 7.591 9.926 -10.091 1.00 0.00 H new ATOM 0 HB2 ALA A 20 7.298 11.467 -10.932 1.00 0.00 H new ATOM 0 HB3 ALA A 20 8.410 11.409 -9.544 1.00 0.00 H new ATOM 311 N PRO A 21 6.045 9.495 -7.370 1.00 0.00 N ATOM 312 CA PRO A 21 6.276 8.800 -6.069 1.00 0.00 C ATOM 313 C PRO A 21 7.766 8.715 -5.726 1.00 0.00 C ATOM 314 O PRO A 21 8.150 8.697 -4.574 1.00 0.00 O ATOM 315 CB PRO A 21 5.712 7.395 -6.286 1.00 0.00 C ATOM 316 CG PRO A 21 4.746 7.504 -7.419 1.00 0.00 C ATOM 317 CD PRO A 21 5.135 8.731 -8.244 1.00 0.00 C ATOM 0 HA PRO A 21 5.805 9.333 -5.243 1.00 0.00 H new ATOM 0 HB2 PRO A 21 6.508 6.688 -6.520 1.00 0.00 H new ATOM 0 HB3 PRO A 21 5.217 7.031 -5.386 1.00 0.00 H new ATOM 0 HG2 PRO A 21 4.775 6.605 -8.034 1.00 0.00 H new ATOM 0 HG3 PRO A 21 3.727 7.602 -7.045 1.00 0.00 H new ATOM 0 HD2 PRO A 21 5.627 8.444 -9.174 1.00 0.00 H new ATOM 0 HD3 PRO A 21 4.259 9.320 -8.515 1.00 0.00 H new ATOM 325 N ALA A 22 8.607 8.662 -6.722 1.00 0.00 N ATOM 326 CA ALA A 22 10.072 8.579 -6.465 1.00 0.00 C ATOM 327 C ALA A 22 10.543 9.859 -5.774 1.00 0.00 C ATOM 328 O ALA A 22 11.528 9.868 -5.062 1.00 0.00 O ATOM 329 CB ALA A 22 10.811 8.418 -7.795 1.00 0.00 C ATOM 0 H ALA A 22 8.341 8.673 -7.707 1.00 0.00 H new ATOM 0 HA ALA A 22 10.281 7.723 -5.824 1.00 0.00 H new ATOM 0 HB1 ALA A 22 11.883 8.357 -7.610 1.00 0.00 H new ATOM 0 HB2 ALA A 22 10.476 7.506 -8.290 1.00 0.00 H new ATOM 0 HB3 ALA A 22 10.601 9.276 -8.434 1.00 0.00 H new ATOM 335 N ASP A 23 9.846 10.941 -5.980 1.00 0.00 N ATOM 336 CA ASP A 23 10.247 12.225 -5.340 1.00 0.00 C ATOM 337 C ASP A 23 9.458 12.409 -4.045 1.00 0.00 C ATOM 338 O ASP A 23 9.531 13.435 -3.400 1.00 0.00 O ATOM 339 CB ASP A 23 9.949 13.386 -6.291 1.00 0.00 C ATOM 340 CG ASP A 23 10.860 13.289 -7.517 1.00 0.00 C ATOM 341 OD1 ASP A 23 10.602 13.992 -8.480 1.00 0.00 O ATOM 342 OD2 ASP A 23 11.802 12.515 -7.470 1.00 0.00 O ATOM 0 H ASP A 23 9.013 10.992 -6.566 1.00 0.00 H new ATOM 0 HA ASP A 23 11.314 12.206 -5.119 1.00 0.00 H new ATOM 0 HB2 ASP A 23 8.904 13.359 -6.599 1.00 0.00 H new ATOM 0 HB3 ASP A 23 10.107 14.337 -5.782 1.00 0.00 H new ATOM 347 N VAL A 24 8.708 11.415 -3.659 1.00 0.00 N ATOM 348 CA VAL A 24 7.914 11.520 -2.405 1.00 0.00 C ATOM 349 C VAL A 24 8.603 10.700 -1.316 1.00 0.00 C ATOM 350 O VAL A 24 9.051 9.595 -1.549 1.00 0.00 O ATOM 351 CB VAL A 24 6.505 10.975 -2.644 1.00 0.00 C ATOM 352 CG1 VAL A 24 5.660 11.172 -1.384 1.00 0.00 C ATOM 353 CG2 VAL A 24 5.861 11.725 -3.812 1.00 0.00 C ATOM 0 H VAL A 24 8.611 10.532 -4.160 1.00 0.00 H new ATOM 0 HA VAL A 24 7.845 12.563 -2.095 1.00 0.00 H new ATOM 0 HB VAL A 24 6.562 9.912 -2.880 1.00 0.00 H new ATOM 0 HG11 VAL A 24 4.656 10.784 -1.555 1.00 0.00 H new ATOM 0 HG12 VAL A 24 6.119 10.639 -0.551 1.00 0.00 H new ATOM 0 HG13 VAL A 24 5.602 12.234 -1.147 1.00 0.00 H new ATOM 0 HG21 VAL A 24 4.857 11.338 -3.984 1.00 0.00 H new ATOM 0 HG22 VAL A 24 5.805 12.788 -3.575 1.00 0.00 H new ATOM 0 HG23 VAL A 24 6.462 11.585 -4.710 1.00 0.00 H new ATOM 363 N ASP A 25 8.699 11.231 -0.130 1.00 0.00 N ATOM 364 CA ASP A 25 9.370 10.476 0.962 1.00 0.00 C ATOM 365 C ASP A 25 8.504 9.285 1.366 1.00 0.00 C ATOM 366 O ASP A 25 7.678 9.377 2.254 1.00 0.00 O ATOM 367 CB ASP A 25 9.571 11.395 2.169 1.00 0.00 C ATOM 368 CG ASP A 25 10.567 12.499 1.812 1.00 0.00 C ATOM 369 OD1 ASP A 25 10.663 13.452 2.568 1.00 0.00 O ATOM 370 OD2 ASP A 25 11.218 12.374 0.787 1.00 0.00 O ATOM 0 H ASP A 25 8.343 12.151 0.129 1.00 0.00 H new ATOM 0 HA ASP A 25 10.339 10.118 0.613 1.00 0.00 H new ATOM 0 HB2 ASP A 25 8.619 11.833 2.468 1.00 0.00 H new ATOM 0 HB3 ASP A 25 9.939 10.820 3.019 1.00 0.00 H new ATOM 375 N VAL A 26 8.686 8.164 0.724 1.00 0.00 N ATOM 376 CA VAL A 26 7.873 6.966 1.076 1.00 0.00 C ATOM 377 C VAL A 26 8.118 6.605 2.542 1.00 0.00 C ATOM 378 O VAL A 26 7.556 5.661 3.064 1.00 0.00 O ATOM 379 CB VAL A 26 8.283 5.792 0.186 1.00 0.00 C ATOM 380 CG1 VAL A 26 8.216 6.218 -1.282 1.00 0.00 C ATOM 381 CG2 VAL A 26 9.713 5.369 0.529 1.00 0.00 C ATOM 0 H VAL A 26 9.361 8.026 -0.028 1.00 0.00 H new ATOM 0 HA VAL A 26 6.816 7.183 0.924 1.00 0.00 H new ATOM 0 HB VAL A 26 7.606 4.955 0.353 1.00 0.00 H new ATOM 0 HG11 VAL A 26 8.508 5.382 -1.917 1.00 0.00 H new ATOM 0 HG12 VAL A 26 7.198 6.521 -1.527 1.00 0.00 H new ATOM 0 HG13 VAL A 26 8.894 7.055 -1.449 1.00 0.00 H new ATOM 0 HG21 VAL A 26 10.007 4.532 -0.105 1.00 0.00 H new ATOM 0 HG22 VAL A 26 10.390 6.206 0.361 1.00 0.00 H new ATOM 0 HG23 VAL A 26 9.762 5.067 1.575 1.00 0.00 H new ATOM 391 N ASP A 27 8.945 7.357 3.214 1.00 0.00 N ATOM 392 CA ASP A 27 9.222 7.072 4.650 1.00 0.00 C ATOM 393 C ASP A 27 8.265 7.897 5.512 1.00 0.00 C ATOM 394 O ASP A 27 8.408 7.981 6.715 1.00 0.00 O ATOM 395 CB ASP A 27 10.667 7.453 4.980 1.00 0.00 C ATOM 396 CG ASP A 27 11.625 6.531 4.223 1.00 0.00 C ATOM 397 OD1 ASP A 27 12.804 6.843 4.179 1.00 0.00 O ATOM 398 OD2 ASP A 27 11.163 5.530 3.700 1.00 0.00 O ATOM 0 H ASP A 27 9.443 8.160 2.829 1.00 0.00 H new ATOM 0 HA ASP A 27 9.078 6.010 4.850 1.00 0.00 H new ATOM 0 HB2 ASP A 27 10.852 8.491 4.705 1.00 0.00 H new ATOM 0 HB3 ASP A 27 10.839 7.372 6.053 1.00 0.00 H new ATOM 403 N LEU A 28 7.292 8.508 4.897 1.00 0.00 N ATOM 404 CA LEU A 28 6.318 9.339 5.660 1.00 0.00 C ATOM 405 C LEU A 28 5.141 8.472 6.097 1.00 0.00 C ATOM 406 O LEU A 28 4.629 7.674 5.337 1.00 0.00 O ATOM 407 CB LEU A 28 5.799 10.464 4.764 1.00 0.00 C ATOM 408 CG LEU A 28 4.911 11.412 5.574 1.00 0.00 C ATOM 409 CD1 LEU A 28 5.776 12.492 6.225 1.00 0.00 C ATOM 410 CD2 LEU A 28 3.886 12.064 4.644 1.00 0.00 C ATOM 0 H LEU A 28 7.128 8.467 3.891 1.00 0.00 H new ATOM 0 HA LEU A 28 6.812 9.760 6.536 1.00 0.00 H new ATOM 0 HB2 LEU A 28 6.637 11.014 4.336 1.00 0.00 H new ATOM 0 HB3 LEU A 28 5.234 10.045 3.932 1.00 0.00 H new ATOM 0 HG LEU A 28 4.391 10.851 6.351 1.00 0.00 H new ATOM 0 HD11 LEU A 28 5.143 13.167 6.802 1.00 0.00 H new ATOM 0 HD12 LEU A 28 6.505 12.024 6.887 1.00 0.00 H new ATOM 0 HD13 LEU A 28 6.297 13.056 5.451 1.00 0.00 H new ATOM 0 HD21 LEU A 28 3.252 12.740 5.218 1.00 0.00 H new ATOM 0 HD22 LEU A 28 4.405 12.625 3.867 1.00 0.00 H new ATOM 0 HD23 LEU A 28 3.270 11.292 4.183 1.00 0.00 H new ATOM 422 N ASP A 29 4.695 8.633 7.311 1.00 0.00 N ATOM 423 CA ASP A 29 3.540 7.827 7.775 1.00 0.00 C ATOM 424 C ASP A 29 2.331 8.188 6.916 1.00 0.00 C ATOM 425 O ASP A 29 1.934 9.334 6.837 1.00 0.00 O ATOM 426 CB ASP A 29 3.246 8.143 9.243 1.00 0.00 C ATOM 427 CG ASP A 29 4.407 7.659 10.112 1.00 0.00 C ATOM 428 OD1 ASP A 29 5.232 6.917 9.606 1.00 0.00 O ATOM 429 OD2 ASP A 29 4.452 8.039 11.271 1.00 0.00 O ATOM 0 H ASP A 29 5.079 9.284 7.996 1.00 0.00 H new ATOM 0 HA ASP A 29 3.761 6.764 7.685 1.00 0.00 H new ATOM 0 HB2 ASP A 29 3.103 9.216 9.373 1.00 0.00 H new ATOM 0 HB3 ASP A 29 2.320 7.658 9.552 1.00 0.00 H new ATOM 434 N LEU A 30 1.752 7.228 6.255 1.00 0.00 N ATOM 435 CA LEU A 30 0.584 7.529 5.385 1.00 0.00 C ATOM 436 C LEU A 30 -0.624 7.903 6.245 1.00 0.00 C ATOM 437 O LEU A 30 -1.734 7.996 5.760 1.00 0.00 O ATOM 438 CB LEU A 30 0.247 6.301 4.537 1.00 0.00 C ATOM 439 CG LEU A 30 0.018 5.099 5.452 1.00 0.00 C ATOM 440 CD1 LEU A 30 -1.262 4.375 5.033 1.00 0.00 C ATOM 441 CD2 LEU A 30 1.205 4.141 5.339 1.00 0.00 C ATOM 0 H LEU A 30 2.036 6.249 6.279 1.00 0.00 H new ATOM 0 HA LEU A 30 0.831 8.366 4.732 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -0.644 6.492 3.939 1.00 0.00 H new ATOM 0 HB3 LEU A 30 1.059 6.092 3.841 1.00 0.00 H new ATOM 0 HG LEU A 30 -0.079 5.440 6.483 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -1.425 3.517 5.686 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -2.108 5.057 5.112 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -1.166 4.033 4.002 1.00 0.00 H new ATOM 0 HD21 LEU A 30 1.043 3.283 5.991 1.00 0.00 H new ATOM 0 HD22 LEU A 30 1.301 3.800 4.308 1.00 0.00 H new ATOM 0 HD23 LEU A 30 2.118 4.656 5.637 1.00 0.00 H new ATOM 453 N VAL A 31 -0.426 8.118 7.517 1.00 0.00 N ATOM 454 CA VAL A 31 -1.578 8.484 8.386 1.00 0.00 C ATOM 455 C VAL A 31 -2.271 9.702 7.788 1.00 0.00 C ATOM 456 O VAL A 31 -3.481 9.762 7.694 1.00 0.00 O ATOM 457 CB VAL A 31 -1.079 8.829 9.788 1.00 0.00 C ATOM 458 CG1 VAL A 31 -2.263 9.222 10.672 1.00 0.00 C ATOM 459 CG2 VAL A 31 -0.372 7.617 10.389 1.00 0.00 C ATOM 0 H VAL A 31 0.476 8.057 7.988 1.00 0.00 H new ATOM 0 HA VAL A 31 -2.272 7.646 8.449 1.00 0.00 H new ATOM 0 HB VAL A 31 -0.381 9.664 9.729 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -1.905 9.468 11.672 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -2.765 10.089 10.243 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -2.964 8.390 10.732 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -0.016 7.863 11.389 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -1.069 6.781 10.447 1.00 0.00 H new ATOM 0 HG23 VAL A 31 0.474 7.341 9.760 1.00 0.00 H new ATOM 469 N ASP A 32 -1.508 10.668 7.367 1.00 0.00 N ATOM 470 CA ASP A 32 -2.119 11.877 6.753 1.00 0.00 C ATOM 471 C ASP A 32 -2.996 11.420 5.591 1.00 0.00 C ATOM 472 O ASP A 32 -4.058 11.956 5.344 1.00 0.00 O ATOM 473 CB ASP A 32 -1.018 12.806 6.235 1.00 0.00 C ATOM 474 CG ASP A 32 -0.232 13.376 7.417 1.00 0.00 C ATOM 475 OD1 ASP A 32 0.816 13.954 7.182 1.00 0.00 O ATOM 476 OD2 ASP A 32 -0.691 13.224 8.536 1.00 0.00 O ATOM 0 H ASP A 32 -0.489 10.674 7.421 1.00 0.00 H new ATOM 0 HA ASP A 32 -2.714 12.418 7.489 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -0.349 12.259 5.570 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -1.456 13.616 5.651 1.00 0.00 H new ATOM 481 N ASN A 33 -2.558 10.411 4.891 1.00 0.00 N ATOM 482 CA ASN A 33 -3.354 9.879 3.756 1.00 0.00 C ATOM 483 C ASN A 33 -4.351 8.858 4.297 1.00 0.00 C ATOM 484 O ASN A 33 -4.877 8.042 3.566 1.00 0.00 O ATOM 485 CB ASN A 33 -2.431 9.204 2.749 1.00 0.00 C ATOM 486 CG ASN A 33 -1.398 10.213 2.255 1.00 0.00 C ATOM 487 OD1 ASN A 33 -1.731 11.332 1.920 1.00 0.00 O ATOM 488 ND2 ASN A 33 -0.147 9.862 2.201 1.00 0.00 N ATOM 0 H ASN A 33 -1.675 9.930 5.060 1.00 0.00 H new ATOM 0 HA ASN A 33 -3.882 10.694 3.261 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -1.932 8.352 3.210 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -3.010 8.818 1.910 1.00 0.00 H new ATOM 0 HD21 ASN A 33 0.556 10.527 1.877 1.00 0.00 H new ATOM 0 HD22 ASN A 33 0.132 8.922 2.483 1.00 0.00 H new ATOM 495 N GLY A 34 -4.602 8.895 5.579 1.00 0.00 N ATOM 496 CA GLY A 34 -5.560 7.930 6.186 1.00 0.00 C ATOM 497 C GLY A 34 -6.782 7.797 5.282 1.00 0.00 C ATOM 498 O GLY A 34 -7.564 6.879 5.408 1.00 0.00 O ATOM 0 H GLY A 34 -4.182 9.556 6.233 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -5.082 6.959 6.316 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -5.861 8.273 7.176 1.00 0.00 H new ATOM 502 N VAL A 35 -6.948 8.700 4.360 1.00 0.00 N ATOM 503 CA VAL A 35 -8.117 8.608 3.443 1.00 0.00 C ATOM 504 C VAL A 35 -8.149 7.207 2.829 1.00 0.00 C ATOM 505 O VAL A 35 -9.198 6.628 2.621 1.00 0.00 O ATOM 506 CB VAL A 35 -7.976 9.651 2.331 1.00 0.00 C ATOM 507 CG1 VAL A 35 -9.024 9.394 1.247 1.00 0.00 C ATOM 508 CG2 VAL A 35 -8.182 11.050 2.916 1.00 0.00 C ATOM 0 H VAL A 35 -6.329 9.495 4.201 1.00 0.00 H new ATOM 0 HA VAL A 35 -9.039 8.794 3.994 1.00 0.00 H new ATOM 0 HB VAL A 35 -6.980 9.580 1.894 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -8.921 10.138 0.457 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -8.878 8.398 0.829 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -10.021 9.462 1.682 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -8.082 11.793 2.125 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -9.178 11.118 3.354 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -7.433 11.236 3.686 1.00 0.00 H new ATOM 518 N ILE A 36 -7.000 6.663 2.537 1.00 0.00 N ATOM 519 CA ILE A 36 -6.938 5.302 1.934 1.00 0.00 C ATOM 520 C ILE A 36 -7.336 4.244 2.967 1.00 0.00 C ATOM 521 O ILE A 36 -7.714 3.145 2.622 1.00 0.00 O ATOM 522 CB ILE A 36 -5.504 5.019 1.486 1.00 0.00 C ATOM 523 CG1 ILE A 36 -5.507 3.952 0.390 1.00 0.00 C ATOM 524 CG2 ILE A 36 -4.699 4.506 2.682 1.00 0.00 C ATOM 525 CD1 ILE A 36 -4.103 3.364 0.249 1.00 0.00 C ATOM 0 H ILE A 36 -6.095 7.107 2.692 1.00 0.00 H new ATOM 0 HA ILE A 36 -7.623 5.262 1.087 1.00 0.00 H new ATOM 0 HB ILE A 36 -5.057 5.935 1.099 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -6.220 3.165 0.636 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -5.827 4.388 -0.556 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -3.675 4.302 2.370 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -4.695 5.260 3.469 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -5.153 3.590 3.060 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -4.104 2.603 -0.532 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -3.402 4.155 -0.016 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -3.801 2.913 1.194 1.00 0.00 H new ATOM 537 N ASP A 37 -7.221 4.556 4.227 1.00 0.00 N ATOM 538 CA ASP A 37 -7.552 3.557 5.286 1.00 0.00 C ATOM 539 C ASP A 37 -8.965 2.996 5.099 1.00 0.00 C ATOM 540 O ASP A 37 -9.225 1.857 5.435 1.00 0.00 O ATOM 541 CB ASP A 37 -7.451 4.212 6.666 1.00 0.00 C ATOM 542 CG ASP A 37 -5.996 4.596 6.945 1.00 0.00 C ATOM 543 OD1 ASP A 37 -5.771 5.348 7.878 1.00 0.00 O ATOM 544 OD2 ASP A 37 -5.132 4.130 6.220 1.00 0.00 O ATOM 0 H ASP A 37 -6.911 5.464 4.573 1.00 0.00 H new ATOM 0 HA ASP A 37 -6.839 2.736 5.207 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -8.086 5.097 6.707 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -7.810 3.526 7.433 1.00 0.00 H new ATOM 549 N SER A 38 -9.888 3.776 4.596 1.00 0.00 N ATOM 550 CA SER A 38 -11.281 3.261 4.429 1.00 0.00 C ATOM 551 C SER A 38 -11.690 3.241 2.953 1.00 0.00 C ATOM 552 O SER A 38 -11.955 2.198 2.393 1.00 0.00 O ATOM 553 CB SER A 38 -12.250 4.152 5.209 1.00 0.00 C ATOM 554 OG SER A 38 -12.575 3.517 6.453 1.00 0.00 O ATOM 0 H SER A 38 -9.739 4.739 4.296 1.00 0.00 H new ATOM 0 HA SER A 38 -11.316 2.241 4.811 1.00 0.00 H new ATOM 0 HB2 SER A 38 -11.799 5.128 5.391 1.00 0.00 H new ATOM 0 HB3 SER A 38 -13.155 4.323 4.626 1.00 0.00 H new ATOM 0 HG SER A 38 -13.194 4.084 6.958 1.00 0.00 H new ATOM 559 N LEU A 39 -11.773 4.377 2.324 1.00 0.00 N ATOM 560 CA LEU A 39 -12.199 4.400 0.896 1.00 0.00 C ATOM 561 C LEU A 39 -11.201 3.633 0.032 1.00 0.00 C ATOM 562 O LEU A 39 -11.563 2.753 -0.723 1.00 0.00 O ATOM 563 CB LEU A 39 -12.279 5.851 0.420 1.00 0.00 C ATOM 564 CG LEU A 39 -12.830 5.898 -1.005 1.00 0.00 C ATOM 565 CD1 LEU A 39 -13.794 7.077 -1.141 1.00 0.00 C ATOM 566 CD2 LEU A 39 -11.673 6.076 -1.990 1.00 0.00 C ATOM 0 H LEU A 39 -11.566 5.288 2.733 1.00 0.00 H new ATOM 0 HA LEU A 39 -13.176 3.925 0.807 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -12.920 6.427 1.087 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -11.291 6.309 0.453 1.00 0.00 H new ATOM 0 HG LEU A 39 -13.357 4.969 -1.221 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -14.187 7.110 -2.157 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -14.618 6.957 -0.437 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -13.266 8.006 -0.926 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -12.063 6.110 -3.007 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -11.149 7.006 -1.771 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -10.982 5.239 -1.894 1.00 0.00 H new ATOM 578 N GLY A 40 -9.948 3.962 0.136 1.00 0.00 N ATOM 579 CA GLY A 40 -8.920 3.259 -0.676 1.00 0.00 C ATOM 580 C GLY A 40 -8.720 1.834 -0.158 1.00 0.00 C ATOM 581 O GLY A 40 -8.497 0.911 -0.916 1.00 0.00 O ATOM 0 H GLY A 40 -9.589 4.692 0.752 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -9.227 3.234 -1.722 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -7.977 3.805 -0.634 1.00 0.00 H new ATOM 585 N LEU A 41 -8.780 1.654 1.131 1.00 0.00 N ATOM 586 CA LEU A 41 -8.573 0.300 1.710 1.00 0.00 C ATOM 587 C LEU A 41 -9.603 -0.676 1.136 1.00 0.00 C ATOM 588 O LEU A 41 -9.277 -1.788 0.777 1.00 0.00 O ATOM 589 CB LEU A 41 -8.733 0.390 3.228 1.00 0.00 C ATOM 590 CG LEU A 41 -8.416 -0.958 3.877 1.00 0.00 C ATOM 591 CD1 LEU A 41 -6.898 -1.162 3.946 1.00 0.00 C ATOM 592 CD2 LEU A 41 -8.998 -0.981 5.291 1.00 0.00 C ATOM 0 H LEU A 41 -8.965 2.391 1.811 1.00 0.00 H new ATOM 0 HA LEU A 41 -7.575 -0.061 1.461 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -8.069 1.158 3.625 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -9.751 0.690 3.476 1.00 0.00 H new ATOM 0 HG LEU A 41 -8.855 -1.759 3.282 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -6.681 -2.124 4.410 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -6.482 -1.142 2.939 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -6.450 -0.364 4.539 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -8.776 -1.939 5.760 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -8.555 -0.177 5.880 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -10.078 -0.843 5.242 1.00 0.00 H new ATOM 604 N LEU A 42 -10.838 -0.272 1.040 1.00 0.00 N ATOM 605 CA LEU A 42 -11.872 -1.189 0.484 1.00 0.00 C ATOM 606 C LEU A 42 -11.570 -1.468 -0.989 1.00 0.00 C ATOM 607 O LEU A 42 -11.648 -2.591 -1.447 1.00 0.00 O ATOM 608 CB LEU A 42 -13.250 -0.537 0.609 1.00 0.00 C ATOM 609 CG LEU A 42 -13.637 -0.421 2.082 1.00 0.00 C ATOM 610 CD1 LEU A 42 -14.973 0.313 2.201 1.00 0.00 C ATOM 611 CD2 LEU A 42 -13.773 -1.820 2.674 1.00 0.00 C ATOM 0 H LEU A 42 -11.176 0.649 1.321 1.00 0.00 H new ATOM 0 HA LEU A 42 -11.862 -2.127 1.039 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -13.238 0.451 0.148 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -13.992 -1.129 0.074 1.00 0.00 H new ATOM 0 HG LEU A 42 -12.869 0.134 2.621 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -15.250 0.396 3.252 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -14.880 1.310 1.770 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -15.743 -0.243 1.666 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -14.049 -1.745 3.726 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -14.544 -2.370 2.135 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -12.823 -2.347 2.585 1.00 0.00 H new ATOM 623 N LYS A 43 -11.219 -0.457 -1.733 1.00 0.00 N ATOM 624 CA LYS A 43 -10.905 -0.667 -3.169 1.00 0.00 C ATOM 625 C LYS A 43 -9.688 -1.584 -3.293 1.00 0.00 C ATOM 626 O LYS A 43 -9.584 -2.377 -4.208 1.00 0.00 O ATOM 627 CB LYS A 43 -10.608 0.679 -3.824 1.00 0.00 C ATOM 628 CG LYS A 43 -11.877 1.534 -3.830 1.00 0.00 C ATOM 629 CD LYS A 43 -11.618 2.829 -4.602 1.00 0.00 C ATOM 630 CE LYS A 43 -12.859 3.720 -4.534 1.00 0.00 C ATOM 631 NZ LYS A 43 -12.550 5.048 -5.136 1.00 0.00 N ATOM 0 H LYS A 43 -11.137 0.506 -1.406 1.00 0.00 H new ATOM 0 HA LYS A 43 -11.756 -1.130 -3.668 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -9.814 1.192 -3.282 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -10.253 0.529 -4.844 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -12.697 0.982 -4.289 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -12.179 1.762 -2.808 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -10.759 3.351 -4.180 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -11.376 2.604 -5.640 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -13.686 3.251 -5.066 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -13.175 3.843 -3.498 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -13.152 5.775 -4.700 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -11.550 5.281 -4.969 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -12.732 5.016 -6.159 1.00 0.00 H new ATOM 645 N VAL A 44 -8.763 -1.478 -2.378 1.00 0.00 N ATOM 646 CA VAL A 44 -7.547 -2.337 -2.443 1.00 0.00 C ATOM 647 C VAL A 44 -7.947 -3.814 -2.370 1.00 0.00 C ATOM 648 O VAL A 44 -7.406 -4.646 -3.070 1.00 0.00 O ATOM 649 CB VAL A 44 -6.628 -2.001 -1.267 1.00 0.00 C ATOM 650 CG1 VAL A 44 -5.484 -3.015 -1.207 1.00 0.00 C ATOM 651 CG2 VAL A 44 -6.054 -0.595 -1.456 1.00 0.00 C ATOM 0 H VAL A 44 -8.797 -0.833 -1.588 1.00 0.00 H new ATOM 0 HA VAL A 44 -7.026 -2.153 -3.383 1.00 0.00 H new ATOM 0 HB VAL A 44 -7.197 -2.041 -0.338 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -4.829 -2.776 -0.369 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -5.892 -4.017 -1.074 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -4.914 -2.976 -2.135 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -5.399 -0.354 -0.619 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -5.485 -0.556 -2.385 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -6.869 0.128 -1.499 1.00 0.00 H new ATOM 661 N ILE A 45 -8.882 -4.146 -1.524 1.00 0.00 N ATOM 662 CA ILE A 45 -9.306 -5.564 -1.403 1.00 0.00 C ATOM 663 C ILE A 45 -9.816 -6.075 -2.754 1.00 0.00 C ATOM 664 O ILE A 45 -9.410 -7.118 -3.225 1.00 0.00 O ATOM 665 CB ILE A 45 -10.430 -5.658 -0.372 1.00 0.00 C ATOM 666 CG1 ILE A 45 -9.969 -5.064 0.963 1.00 0.00 C ATOM 667 CG2 ILE A 45 -10.806 -7.119 -0.171 1.00 0.00 C ATOM 668 CD1 ILE A 45 -8.645 -5.701 1.390 1.00 0.00 C ATOM 0 H ILE A 45 -9.370 -3.493 -0.911 1.00 0.00 H new ATOM 0 HA ILE A 45 -8.457 -6.171 -1.090 1.00 0.00 H new ATOM 0 HB ILE A 45 -11.294 -5.099 -0.732 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -9.849 -3.985 0.868 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -10.727 -5.234 1.727 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -11.608 -7.191 0.564 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -11.143 -7.542 -1.118 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -9.937 -7.673 0.185 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -8.325 -5.273 2.340 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -8.779 -6.777 1.504 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -7.887 -5.508 0.631 1.00 0.00 H new ATOM 680 N ALA A 46 -10.703 -5.350 -3.378 1.00 0.00 N ATOM 681 CA ALA A 46 -11.237 -5.802 -4.695 1.00 0.00 C ATOM 682 C ALA A 46 -10.127 -5.756 -5.748 1.00 0.00 C ATOM 683 O ALA A 46 -10.062 -6.586 -6.633 1.00 0.00 O ATOM 684 CB ALA A 46 -12.380 -4.880 -5.123 1.00 0.00 C ATOM 0 H ALA A 46 -11.081 -4.467 -3.035 1.00 0.00 H new ATOM 0 HA ALA A 46 -11.604 -6.824 -4.603 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -12.772 -5.209 -6.086 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -13.174 -4.915 -4.377 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -12.010 -3.859 -5.212 1.00 0.00 H new ATOM 690 N TRP A 47 -9.256 -4.790 -5.661 1.00 0.00 N ATOM 691 CA TRP A 47 -8.152 -4.683 -6.654 1.00 0.00 C ATOM 692 C TRP A 47 -7.200 -5.867 -6.505 1.00 0.00 C ATOM 693 O TRP A 47 -6.737 -6.432 -7.477 1.00 0.00 O ATOM 694 CB TRP A 47 -7.386 -3.382 -6.412 1.00 0.00 C ATOM 695 CG TRP A 47 -6.078 -3.429 -7.133 1.00 0.00 C ATOM 696 CD1 TRP A 47 -5.896 -3.130 -8.440 1.00 0.00 C ATOM 697 CD2 TRP A 47 -4.768 -3.786 -6.608 1.00 0.00 C ATOM 698 NE1 TRP A 47 -4.557 -3.281 -8.750 1.00 0.00 N ATOM 699 CE2 TRP A 47 -3.821 -3.684 -7.653 1.00 0.00 C ATOM 700 CE3 TRP A 47 -4.315 -4.185 -5.337 1.00 0.00 C ATOM 701 CZ2 TRP A 47 -2.471 -3.969 -7.444 1.00 0.00 C ATOM 702 CZ3 TRP A 47 -2.957 -4.471 -5.124 1.00 0.00 C ATOM 703 CH2 TRP A 47 -2.037 -4.363 -6.176 1.00 0.00 C ATOM 0 H TRP A 47 -9.262 -4.067 -4.942 1.00 0.00 H new ATOM 0 HA TRP A 47 -8.570 -4.687 -7.661 1.00 0.00 H new ATOM 0 HB2 TRP A 47 -7.974 -2.532 -6.759 1.00 0.00 H new ATOM 0 HB3 TRP A 47 -7.219 -3.239 -5.344 1.00 0.00 H new ATOM 0 HD1 TRP A 47 -6.670 -2.824 -9.128 1.00 0.00 H new ATOM 0 HE1 TRP A 47 -4.161 -3.115 -9.675 1.00 0.00 H new ATOM 0 HE3 TRP A 47 -5.016 -4.272 -4.520 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 -1.766 -3.885 -8.258 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 -2.619 -4.776 -4.144 1.00 0.00 H new ATOM 0 HH2 TRP A 47 -0.994 -4.584 -6.006 1.00 0.00 H new ATOM 714 N LEU A 48 -6.895 -6.239 -5.296 1.00 0.00 N ATOM 715 CA LEU A 48 -5.963 -7.374 -5.079 1.00 0.00 C ATOM 716 C LEU A 48 -6.546 -8.651 -5.688 1.00 0.00 C ATOM 717 O LEU A 48 -5.855 -9.414 -6.333 1.00 0.00 O ATOM 718 CB LEU A 48 -5.771 -7.570 -3.574 1.00 0.00 C ATOM 719 CG LEU A 48 -4.642 -8.560 -3.324 1.00 0.00 C ATOM 720 CD1 LEU A 48 -3.312 -7.817 -3.363 1.00 0.00 C ATOM 721 CD2 LEU A 48 -4.831 -9.204 -1.949 1.00 0.00 C ATOM 0 H LEU A 48 -7.253 -5.803 -4.446 1.00 0.00 H new ATOM 0 HA LEU A 48 -5.006 -7.159 -5.555 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -5.542 -6.616 -3.100 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -6.694 -7.936 -3.125 1.00 0.00 H new ATOM 0 HG LEU A 48 -4.650 -9.335 -4.090 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -2.498 -8.519 -3.185 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -3.183 -7.353 -4.341 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -3.303 -7.047 -2.592 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -4.024 -9.914 -1.766 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -4.816 -8.431 -1.180 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -5.787 -9.726 -1.920 1.00 0.00 H new ATOM 733 N GLU A 49 -7.814 -8.888 -5.491 1.00 0.00 N ATOM 734 CA GLU A 49 -8.440 -10.115 -6.060 1.00 0.00 C ATOM 735 C GLU A 49 -8.473 -10.025 -7.588 1.00 0.00 C ATOM 736 O GLU A 49 -8.298 -11.005 -8.279 1.00 0.00 O ATOM 737 CB GLU A 49 -9.868 -10.255 -5.521 1.00 0.00 C ATOM 738 CG GLU A 49 -10.518 -11.512 -6.093 1.00 0.00 C ATOM 739 CD GLU A 49 -11.960 -11.614 -5.594 1.00 0.00 C ATOM 740 OE1 GLU A 49 -12.387 -10.717 -4.887 1.00 0.00 O ATOM 741 OE2 GLU A 49 -12.615 -12.588 -5.929 1.00 0.00 O ATOM 0 H GLU A 49 -8.443 -8.285 -4.961 1.00 0.00 H new ATOM 0 HA GLU A 49 -7.853 -10.986 -5.769 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -9.852 -10.307 -4.432 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -10.455 -9.377 -5.790 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -10.501 -11.479 -7.182 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -9.954 -12.395 -5.791 1.00 0.00 H new ATOM 748 N ASP A 50 -8.708 -8.861 -8.121 1.00 0.00 N ATOM 749 CA ASP A 50 -8.767 -8.729 -9.603 1.00 0.00 C ATOM 750 C ASP A 50 -7.434 -9.142 -10.233 1.00 0.00 C ATOM 751 O ASP A 50 -7.398 -9.840 -11.226 1.00 0.00 O ATOM 752 CB ASP A 50 -9.067 -7.276 -9.966 1.00 0.00 C ATOM 753 CG ASP A 50 -9.353 -7.171 -11.466 1.00 0.00 C ATOM 754 OD1 ASP A 50 -9.400 -8.204 -12.113 1.00 0.00 O ATOM 755 OD2 ASP A 50 -9.519 -6.060 -11.940 1.00 0.00 O ATOM 0 H ASP A 50 -8.861 -7.998 -7.599 1.00 0.00 H new ATOM 0 HA ASP A 50 -9.553 -9.382 -9.984 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -9.924 -6.918 -9.396 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -8.221 -6.642 -9.701 1.00 0.00 H new ATOM 760 N ARG A 51 -6.339 -8.699 -9.680 1.00 0.00 N ATOM 761 CA ARG A 51 -5.015 -9.051 -10.267 1.00 0.00 C ATOM 762 C ARG A 51 -4.487 -10.380 -9.712 1.00 0.00 C ATOM 763 O ARG A 51 -4.106 -11.262 -10.457 1.00 0.00 O ATOM 764 CB ARG A 51 -4.018 -7.941 -9.938 1.00 0.00 C ATOM 765 CG ARG A 51 -4.401 -6.667 -10.693 1.00 0.00 C ATOM 766 CD ARG A 51 -3.364 -5.577 -10.413 1.00 0.00 C ATOM 767 NE ARG A 51 -2.071 -5.942 -11.057 1.00 0.00 N ATOM 768 CZ ARG A 51 -1.843 -5.617 -12.301 1.00 0.00 C ATOM 769 NH1 ARG A 51 -0.705 -5.929 -12.858 1.00 0.00 N ATOM 770 NH2 ARG A 51 -2.753 -4.982 -12.989 1.00 0.00 N ATOM 0 H ARG A 51 -6.303 -8.109 -8.848 1.00 0.00 H new ATOM 0 HA ARG A 51 -5.135 -9.158 -11.345 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -4.011 -7.751 -8.865 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -3.010 -8.250 -10.214 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -4.454 -6.868 -11.763 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -5.390 -6.331 -10.383 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -3.715 -4.619 -10.796 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -3.226 -5.459 -9.338 1.00 0.00 H new ATOM 0 HE ARG A 51 -1.362 -6.447 -10.525 1.00 0.00 H new ATOM 0 HH11 ARG A 51 0.006 -6.426 -12.322 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -0.526 -5.675 -13.830 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -3.643 -4.739 -12.555 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -2.573 -4.729 -13.961 1.00 0.00 H new ATOM 784 N PHE A 52 -4.422 -10.519 -8.416 1.00 0.00 N ATOM 785 CA PHE A 52 -3.875 -11.773 -7.824 1.00 0.00 C ATOM 786 C PHE A 52 -4.918 -12.896 -7.819 1.00 0.00 C ATOM 787 O PHE A 52 -4.575 -14.060 -7.800 1.00 0.00 O ATOM 788 CB PHE A 52 -3.428 -11.487 -6.393 1.00 0.00 C ATOM 789 CG PHE A 52 -2.276 -10.510 -6.412 1.00 0.00 C ATOM 790 CD1 PHE A 52 -2.518 -9.139 -6.276 1.00 0.00 C ATOM 791 CD2 PHE A 52 -0.965 -10.977 -6.568 1.00 0.00 C ATOM 792 CE1 PHE A 52 -1.451 -8.233 -6.295 1.00 0.00 C ATOM 793 CE2 PHE A 52 0.103 -10.071 -6.586 1.00 0.00 C ATOM 794 CZ PHE A 52 -0.140 -8.700 -6.449 1.00 0.00 C ATOM 0 H PHE A 52 -4.725 -9.817 -7.740 1.00 0.00 H new ATOM 0 HA PHE A 52 -3.032 -12.103 -8.431 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -4.257 -11.077 -5.817 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -3.126 -12.413 -5.903 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -3.529 -8.779 -6.156 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -0.778 -12.035 -6.674 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -1.639 -7.175 -6.191 1.00 0.00 H new ATOM 0 HE2 PHE A 52 1.114 -10.431 -6.706 1.00 0.00 H new ATOM 0 HZ PHE A 52 0.684 -8.002 -6.462 1.00 0.00 H new ATOM 804 N GLY A 53 -6.181 -12.573 -7.826 1.00 0.00 N ATOM 805 CA GLY A 53 -7.210 -13.654 -7.811 1.00 0.00 C ATOM 806 C GLY A 53 -7.337 -14.211 -6.390 1.00 0.00 C ATOM 807 O GLY A 53 -7.627 -15.373 -6.191 1.00 0.00 O ATOM 0 H GLY A 53 -6.544 -11.620 -7.841 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -8.170 -13.263 -8.148 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -6.929 -14.449 -8.502 1.00 0.00 H new ATOM 811 N ILE A 54 -7.113 -13.387 -5.402 1.00 0.00 N ATOM 812 CA ILE A 54 -7.212 -13.861 -3.992 1.00 0.00 C ATOM 813 C ILE A 54 -8.525 -13.373 -3.379 1.00 0.00 C ATOM 814 O ILE A 54 -9.018 -12.315 -3.704 1.00 0.00 O ATOM 815 CB ILE A 54 -6.040 -13.298 -3.189 1.00 0.00 C ATOM 816 CG1 ILE A 54 -4.728 -13.735 -3.838 1.00 0.00 C ATOM 817 CG2 ILE A 54 -6.101 -13.829 -1.756 1.00 0.00 C ATOM 818 CD1 ILE A 54 -3.576 -12.920 -3.248 1.00 0.00 C ATOM 0 H ILE A 54 -6.865 -12.404 -5.511 1.00 0.00 H new ATOM 0 HA ILE A 54 -7.184 -14.950 -3.971 1.00 0.00 H new ATOM 0 HB ILE A 54 -6.097 -12.210 -3.174 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -4.561 -14.799 -3.667 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -4.777 -13.589 -4.917 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -5.265 -13.427 -1.183 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -7.039 -13.521 -1.294 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -6.043 -14.917 -1.768 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -2.638 -13.229 -3.709 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -3.743 -11.860 -3.442 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -3.525 -13.089 -2.172 1.00 0.00 H new ATOM 830 N ALA A 55 -9.095 -14.139 -2.492 1.00 0.00 N ATOM 831 CA ALA A 55 -10.377 -13.722 -1.861 1.00 0.00 C ATOM 832 C ALA A 55 -10.166 -12.409 -1.108 1.00 0.00 C ATOM 833 O ALA A 55 -9.059 -12.058 -0.748 1.00 0.00 O ATOM 834 CB ALA A 55 -10.841 -14.803 -0.882 1.00 0.00 C ATOM 0 H ALA A 55 -8.728 -15.037 -2.177 1.00 0.00 H new ATOM 0 HA ALA A 55 -11.135 -13.583 -2.632 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -11.780 -14.497 -0.420 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -10.989 -15.740 -1.418 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -10.085 -14.943 -0.109 1.00 0.00 H new ATOM 840 N ALA A 56 -11.216 -11.672 -0.880 1.00 0.00 N ATOM 841 CA ALA A 56 -11.074 -10.373 -0.168 1.00 0.00 C ATOM 842 C ALA A 56 -10.326 -10.584 1.149 1.00 0.00 C ATOM 843 O ALA A 56 -9.506 -9.778 1.541 1.00 0.00 O ATOM 844 CB ALA A 56 -12.462 -9.798 0.122 1.00 0.00 C ATOM 0 H ALA A 56 -12.168 -11.914 -1.156 1.00 0.00 H new ATOM 0 HA ALA A 56 -10.513 -9.679 -0.794 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -12.360 -8.846 0.644 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -12.995 -9.642 -0.816 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -13.022 -10.495 0.745 1.00 0.00 H new ATOM 924 N SER A 62 -5.302 -3.289 13.270 1.00 0.00 N ATOM 925 CA SER A 62 -5.213 -2.083 14.141 1.00 0.00 C ATOM 926 C SER A 62 -4.745 -0.888 13.304 1.00 0.00 C ATOM 927 O SER A 62 -4.064 -1.050 12.311 1.00 0.00 O ATOM 928 CB SER A 62 -4.213 -2.341 15.269 1.00 0.00 C ATOM 929 OG SER A 62 -3.298 -3.349 14.862 1.00 0.00 O ATOM 0 HA SER A 62 -6.192 -1.868 14.569 1.00 0.00 H new ATOM 0 HB2 SER A 62 -3.677 -1.424 15.513 1.00 0.00 H new ATOM 0 HB3 SER A 62 -4.738 -2.653 16.172 1.00 0.00 H new ATOM 0 HG SER A 62 -3.696 -3.881 14.142 1.00 0.00 H new ATOM 935 N PRO A 63 -5.105 0.306 13.702 1.00 0.00 N ATOM 936 CA PRO A 63 -4.713 1.548 12.975 1.00 0.00 C ATOM 937 C PRO A 63 -3.192 1.709 12.899 1.00 0.00 C ATOM 938 O PRO A 63 -2.664 2.326 11.994 1.00 0.00 O ATOM 939 CB PRO A 63 -5.331 2.685 13.799 1.00 0.00 C ATOM 940 CG PRO A 63 -5.681 2.091 15.124 1.00 0.00 C ATOM 941 CD PRO A 63 -5.920 0.603 14.887 1.00 0.00 C ATOM 0 HA PRO A 63 -5.060 1.534 11.942 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -4.628 3.510 13.915 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -6.216 3.088 13.306 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -4.875 2.244 15.842 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -6.571 2.565 15.538 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -5.612 0.006 15.745 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -6.974 0.389 14.712 1.00 0.00 H new ATOM 949 N GLU A 64 -2.487 1.156 13.846 1.00 0.00 N ATOM 950 CA GLU A 64 -1.001 1.268 13.844 1.00 0.00 C ATOM 951 C GLU A 64 -0.423 0.525 12.637 1.00 0.00 C ATOM 952 O GLU A 64 0.668 0.814 12.185 1.00 0.00 O ATOM 953 CB GLU A 64 -0.446 0.657 15.129 1.00 0.00 C ATOM 954 CG GLU A 64 -0.924 1.467 16.329 1.00 0.00 C ATOM 955 CD GLU A 64 -0.311 0.897 17.609 1.00 0.00 C ATOM 956 OE1 GLU A 64 -0.454 1.529 18.644 1.00 0.00 O ATOM 957 OE2 GLU A 64 0.290 -0.161 17.534 1.00 0.00 O ATOM 0 H GLU A 64 -2.878 0.628 14.626 1.00 0.00 H new ATOM 0 HA GLU A 64 -0.721 2.320 13.785 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -0.774 -0.378 15.222 1.00 0.00 H new ATOM 0 HB3 GLU A 64 0.643 0.645 15.097 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -0.639 2.513 16.212 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -2.012 1.438 16.390 1.00 0.00 H new ATOM 964 N HIS A 65 -1.134 -0.439 12.120 1.00 0.00 N ATOM 965 CA HIS A 65 -0.611 -1.208 10.955 1.00 0.00 C ATOM 966 C HIS A 65 -0.531 -0.307 9.718 1.00 0.00 C ATOM 967 O HIS A 65 0.264 -0.535 8.829 1.00 0.00 O ATOM 968 CB HIS A 65 -1.536 -2.390 10.663 1.00 0.00 C ATOM 969 CG HIS A 65 -0.991 -3.171 9.501 1.00 0.00 C ATOM 970 ND1 HIS A 65 -1.563 -3.116 8.237 1.00 0.00 N ATOM 971 CD2 HIS A 65 0.082 -4.021 9.390 1.00 0.00 C ATOM 972 CE1 HIS A 65 -0.838 -3.910 7.428 1.00 0.00 C ATOM 973 NE2 HIS A 65 0.174 -4.483 8.083 1.00 0.00 N ATOM 0 H HIS A 65 -2.054 -0.727 12.453 1.00 0.00 H new ATOM 0 HA HIS A 65 0.388 -1.574 11.194 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -1.615 -3.030 11.541 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -2.541 -2.033 10.437 1.00 0.00 H new ATOM 0 HD1 HIS A 65 -2.384 -2.572 7.970 1.00 0.00 H new ATOM 0 HD2 HIS A 65 0.751 -4.289 10.194 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -1.049 -4.064 6.380 1.00 0.00 H new ATOM 982 N PHE A 66 -1.345 0.707 9.648 1.00 0.00 N ATOM 983 CA PHE A 66 -1.304 1.607 8.461 1.00 0.00 C ATOM 984 C PHE A 66 -0.463 2.839 8.799 1.00 0.00 C ATOM 985 O PHE A 66 -0.383 3.781 8.036 1.00 0.00 O ATOM 986 CB PHE A 66 -2.728 2.034 8.103 1.00 0.00 C ATOM 987 CG PHE A 66 -3.592 0.803 7.972 1.00 0.00 C ATOM 988 CD1 PHE A 66 -4.289 0.323 9.086 1.00 0.00 C ATOM 989 CD2 PHE A 66 -3.690 0.135 6.745 1.00 0.00 C ATOM 990 CE1 PHE A 66 -5.085 -0.822 8.976 1.00 0.00 C ATOM 991 CE2 PHE A 66 -4.487 -1.011 6.634 1.00 0.00 C ATOM 992 CZ PHE A 66 -5.184 -1.489 7.751 1.00 0.00 C ATOM 0 H PHE A 66 -2.035 0.952 10.358 1.00 0.00 H new ATOM 0 HA PHE A 66 -0.861 1.086 7.612 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -3.128 2.694 8.873 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -2.729 2.596 7.169 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -4.212 0.837 10.033 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -3.151 0.504 5.885 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -5.623 -1.191 9.837 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -4.564 -1.526 5.688 1.00 0.00 H new ATOM 0 HZ PHE A 66 -5.798 -2.373 7.666 1.00 0.00 H new ATOM 1002 N ARG A 67 0.160 2.837 9.947 1.00 0.00 N ATOM 1003 CA ARG A 67 0.994 4.002 10.354 1.00 0.00 C ATOM 1004 C ARG A 67 2.066 4.274 9.294 1.00 0.00 C ATOM 1005 O ARG A 67 2.391 5.409 9.009 1.00 0.00 O ATOM 1006 CB ARG A 67 1.669 3.692 11.696 1.00 0.00 C ATOM 1007 CG ARG A 67 2.412 4.927 12.218 1.00 0.00 C ATOM 1008 CD ARG A 67 1.433 5.860 12.941 1.00 0.00 C ATOM 1009 NE ARG A 67 2.157 7.077 13.403 1.00 0.00 N ATOM 1010 CZ ARG A 67 2.995 6.999 14.400 1.00 0.00 C ATOM 1011 NH1 ARG A 67 3.626 8.067 14.806 1.00 0.00 N ATOM 1012 NH2 ARG A 67 3.204 5.854 14.989 1.00 0.00 N ATOM 0 H ARG A 67 0.126 2.074 10.623 1.00 0.00 H new ATOM 0 HA ARG A 67 0.360 4.883 10.453 1.00 0.00 H new ATOM 0 HB2 ARG A 67 0.920 3.376 12.423 1.00 0.00 H new ATOM 0 HB3 ARG A 67 2.367 2.863 11.577 1.00 0.00 H new ATOM 0 HG2 ARG A 67 3.207 4.623 12.898 1.00 0.00 H new ATOM 0 HG3 ARG A 67 2.885 5.454 11.390 1.00 0.00 H new ATOM 0 HD2 ARG A 67 0.619 6.140 12.272 1.00 0.00 H new ATOM 0 HD3 ARG A 67 0.984 5.346 13.791 1.00 0.00 H new ATOM 0 HE ARG A 67 1.998 7.972 12.940 1.00 0.00 H new ATOM 0 HH11 ARG A 67 3.464 8.962 14.344 1.00 0.00 H new ATOM 0 HH12 ARG A 67 4.281 8.007 15.585 1.00 0.00 H new ATOM 0 HH21 ARG A 67 2.712 5.019 14.670 1.00 0.00 H new ATOM 0 HH22 ARG A 67 3.859 5.793 15.768 1.00 0.00 H new ATOM 1026 N SER A 68 2.626 3.246 8.714 1.00 0.00 N ATOM 1027 CA SER A 68 3.684 3.460 7.682 1.00 0.00 C ATOM 1028 C SER A 68 3.463 2.515 6.497 1.00 0.00 C ATOM 1029 O SER A 68 2.892 1.452 6.631 1.00 0.00 O ATOM 1030 CB SER A 68 5.056 3.186 8.299 1.00 0.00 C ATOM 1031 OG SER A 68 5.161 1.804 8.617 1.00 0.00 O ATOM 0 H SER A 68 2.398 2.271 8.909 1.00 0.00 H new ATOM 0 HA SER A 68 3.635 4.490 7.330 1.00 0.00 H new ATOM 0 HB2 SER A 68 5.844 3.472 7.602 1.00 0.00 H new ATOM 0 HB3 SER A 68 5.191 3.789 9.197 1.00 0.00 H new ATOM 0 HG SER A 68 6.040 1.625 9.011 1.00 0.00 H new ATOM 1037 N ILE A 69 3.917 2.904 5.335 1.00 0.00 N ATOM 1038 CA ILE A 69 3.749 2.050 4.131 1.00 0.00 C ATOM 1039 C ILE A 69 4.534 0.745 4.293 1.00 0.00 C ATOM 1040 O ILE A 69 4.113 -0.304 3.849 1.00 0.00 O ATOM 1041 CB ILE A 69 4.273 2.810 2.915 1.00 0.00 C ATOM 1042 CG1 ILE A 69 3.484 4.101 2.735 1.00 0.00 C ATOM 1043 CG2 ILE A 69 4.108 1.954 1.673 1.00 0.00 C ATOM 1044 CD1 ILE A 69 4.135 4.953 1.645 1.00 0.00 C ATOM 0 H ILE A 69 4.401 3.786 5.171 1.00 0.00 H new ATOM 0 HA ILE A 69 2.694 1.810 4.001 1.00 0.00 H new ATOM 0 HB ILE A 69 5.327 3.043 3.067 1.00 0.00 H new ATOM 0 HG12 ILE A 69 2.453 3.874 2.466 1.00 0.00 H new ATOM 0 HG13 ILE A 69 3.454 4.654 3.674 1.00 0.00 H new ATOM 0 HG21 ILE A 69 4.482 2.497 0.805 1.00 0.00 H new ATOM 0 HG22 ILE A 69 4.670 1.028 1.792 1.00 0.00 H new ATOM 0 HG23 ILE A 69 3.053 1.722 1.529 1.00 0.00 H new ATOM 0 HD11 ILE A 69 3.569 5.876 1.518 1.00 0.00 H new ATOM 0 HD12 ILE A 69 5.159 5.192 1.933 1.00 0.00 H new ATOM 0 HD13 ILE A 69 4.142 4.399 0.706 1.00 0.00 H new ATOM 1056 N ARG A 70 5.683 0.804 4.911 1.00 0.00 N ATOM 1057 CA ARG A 70 6.506 -0.427 5.081 1.00 0.00 C ATOM 1058 C ARG A 70 5.736 -1.470 5.896 1.00 0.00 C ATOM 1059 O ARG A 70 5.825 -2.655 5.640 1.00 0.00 O ATOM 1060 CB ARG A 70 7.802 -0.073 5.814 1.00 0.00 C ATOM 1061 CG ARG A 70 8.635 0.876 4.950 1.00 0.00 C ATOM 1062 CD ARG A 70 9.984 1.129 5.625 1.00 0.00 C ATOM 1063 NE ARG A 70 9.761 1.656 7.000 1.00 0.00 N ATOM 1064 CZ ARG A 70 10.744 1.677 7.858 1.00 0.00 C ATOM 1065 NH1 ARG A 70 10.549 2.138 9.064 1.00 0.00 N ATOM 1066 NH2 ARG A 70 11.923 1.238 7.511 1.00 0.00 N ATOM 0 H ARG A 70 6.087 1.653 5.306 1.00 0.00 H new ATOM 0 HA ARG A 70 6.734 -0.839 4.098 1.00 0.00 H new ATOM 0 HB2 ARG A 70 7.574 0.395 6.771 1.00 0.00 H new ATOM 0 HB3 ARG A 70 8.369 -0.978 6.029 1.00 0.00 H new ATOM 0 HG2 ARG A 70 8.787 0.445 3.960 1.00 0.00 H new ATOM 0 HG3 ARG A 70 8.104 1.818 4.810 1.00 0.00 H new ATOM 0 HD2 ARG A 70 10.560 0.205 5.667 1.00 0.00 H new ATOM 0 HD3 ARG A 70 10.567 1.841 5.041 1.00 0.00 H new ATOM 0 HE ARG A 70 8.840 2.000 7.271 1.00 0.00 H new ATOM 0 HH11 ARG A 70 9.628 2.482 9.336 1.00 0.00 H new ATOM 0 HH12 ARG A 70 11.318 2.154 9.734 1.00 0.00 H new ATOM 0 HH21 ARG A 70 12.076 0.878 6.569 1.00 0.00 H new ATOM 0 HH22 ARG A 70 12.691 1.255 8.182 1.00 0.00 H new ATOM 1080 N SER A 71 4.985 -1.049 6.874 1.00 0.00 N ATOM 1081 CA SER A 71 4.223 -2.029 7.694 1.00 0.00 C ATOM 1082 C SER A 71 3.232 -2.784 6.805 1.00 0.00 C ATOM 1083 O SER A 71 2.991 -3.962 6.987 1.00 0.00 O ATOM 1084 CB SER A 71 3.464 -1.279 8.786 1.00 0.00 C ATOM 1085 OG SER A 71 2.471 -0.456 8.188 1.00 0.00 O ATOM 0 H SER A 71 4.866 -0.072 7.140 1.00 0.00 H new ATOM 0 HA SER A 71 4.911 -2.743 8.147 1.00 0.00 H new ATOM 0 HB2 SER A 71 3.001 -1.986 9.474 1.00 0.00 H new ATOM 0 HB3 SER A 71 4.153 -0.670 9.371 1.00 0.00 H new ATOM 0 HG SER A 71 1.648 -0.498 8.719 1.00 0.00 H new ATOM 1091 N ILE A 72 2.660 -2.118 5.841 1.00 0.00 N ATOM 1092 CA ILE A 72 1.693 -2.792 4.940 1.00 0.00 C ATOM 1093 C ILE A 72 2.416 -3.872 4.133 1.00 0.00 C ATOM 1094 O ILE A 72 1.903 -4.954 3.923 1.00 0.00 O ATOM 1095 CB ILE A 72 1.096 -1.756 3.991 1.00 0.00 C ATOM 1096 CG1 ILE A 72 0.391 -0.668 4.805 1.00 0.00 C ATOM 1097 CG2 ILE A 72 0.090 -2.434 3.071 1.00 0.00 C ATOM 1098 CD1 ILE A 72 -0.097 0.436 3.867 1.00 0.00 C ATOM 0 H ILE A 72 2.824 -1.131 5.640 1.00 0.00 H new ATOM 0 HA ILE A 72 0.899 -3.254 5.527 1.00 0.00 H new ATOM 0 HB ILE A 72 1.890 -1.307 3.394 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -0.451 -1.095 5.350 1.00 0.00 H new ATOM 0 HG13 ILE A 72 1.074 -0.254 5.547 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -0.338 -1.696 2.392 1.00 0.00 H new ATOM 0 HG22 ILE A 72 0.591 -3.211 2.493 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -0.705 -2.882 3.668 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -0.599 1.211 4.447 1.00 0.00 H new ATOM 0 HD12 ILE A 72 0.754 0.870 3.342 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -0.795 0.016 3.142 1.00 0.00 H new ATOM 1110 N ASP A 73 3.606 -3.586 3.679 1.00 0.00 N ATOM 1111 CA ASP A 73 4.363 -4.592 2.886 1.00 0.00 C ATOM 1112 C ASP A 73 4.566 -5.856 3.720 1.00 0.00 C ATOM 1113 O ASP A 73 4.522 -6.959 3.212 1.00 0.00 O ATOM 1114 CB ASP A 73 5.725 -4.016 2.492 1.00 0.00 C ATOM 1115 CG ASP A 73 6.389 -4.934 1.464 1.00 0.00 C ATOM 1116 OD1 ASP A 73 7.504 -4.637 1.066 1.00 0.00 O ATOM 1117 OD2 ASP A 73 5.771 -5.917 1.091 1.00 0.00 O ATOM 0 H ASP A 73 4.086 -2.698 3.824 1.00 0.00 H new ATOM 0 HA ASP A 73 3.800 -4.839 1.986 1.00 0.00 H new ATOM 0 HB2 ASP A 73 5.602 -3.016 2.077 1.00 0.00 H new ATOM 0 HB3 ASP A 73 6.360 -3.920 3.373 1.00 0.00 H new ATOM 1122 N ALA A 74 4.788 -5.708 4.996 1.00 0.00 N ATOM 1123 CA ALA A 74 4.992 -6.908 5.852 1.00 0.00 C ATOM 1124 C ALA A 74 3.740 -7.782 5.804 1.00 0.00 C ATOM 1125 O ALA A 74 3.819 -8.993 5.736 1.00 0.00 O ATOM 1126 CB ALA A 74 5.257 -6.471 7.294 1.00 0.00 C ATOM 0 H ALA A 74 4.837 -4.812 5.481 1.00 0.00 H new ATOM 0 HA ALA A 74 5.847 -7.476 5.485 1.00 0.00 H new ATOM 0 HB1 ALA A 74 5.406 -7.351 7.919 1.00 0.00 H new ATOM 0 HB2 ALA A 74 6.150 -5.847 7.327 1.00 0.00 H new ATOM 0 HB3 ALA A 74 4.404 -5.903 7.665 1.00 0.00 H new ATOM 1132 N PHE A 75 2.585 -7.180 5.832 1.00 0.00 N ATOM 1133 CA PHE A 75 1.331 -7.984 5.779 1.00 0.00 C ATOM 1134 C PHE A 75 1.253 -8.711 4.436 1.00 0.00 C ATOM 1135 O PHE A 75 1.001 -9.900 4.374 1.00 0.00 O ATOM 1136 CB PHE A 75 0.124 -7.060 5.929 1.00 0.00 C ATOM 1137 CG PHE A 75 -1.137 -7.885 6.012 1.00 0.00 C ATOM 1138 CD1 PHE A 75 -1.555 -8.402 7.244 1.00 0.00 C ATOM 1139 CD2 PHE A 75 -1.889 -8.134 4.858 1.00 0.00 C ATOM 1140 CE1 PHE A 75 -2.724 -9.167 7.322 1.00 0.00 C ATOM 1141 CE2 PHE A 75 -3.058 -8.899 4.935 1.00 0.00 C ATOM 1142 CZ PHE A 75 -3.475 -9.417 6.167 1.00 0.00 C ATOM 0 H PHE A 75 2.454 -6.170 5.889 1.00 0.00 H new ATOM 0 HA PHE A 75 1.331 -8.712 6.590 1.00 0.00 H new ATOM 0 HB2 PHE A 75 0.230 -6.449 6.825 1.00 0.00 H new ATOM 0 HB3 PHE A 75 0.069 -6.377 5.082 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -0.975 -8.210 8.135 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -1.567 -7.735 3.907 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -3.047 -9.565 8.273 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -3.638 -9.090 4.044 1.00 0.00 H new ATOM 0 HZ PHE A 75 -4.376 -10.009 6.227 1.00 0.00 H new ATOM 1152 N VAL A 76 1.469 -8.007 3.360 1.00 0.00 N ATOM 1153 CA VAL A 76 1.411 -8.648 2.023 1.00 0.00 C ATOM 1154 C VAL A 76 2.532 -9.680 1.898 1.00 0.00 C ATOM 1155 O VAL A 76 2.328 -10.773 1.409 1.00 0.00 O ATOM 1156 CB VAL A 76 1.581 -7.573 0.951 1.00 0.00 C ATOM 1157 CG1 VAL A 76 1.746 -8.238 -0.410 1.00 0.00 C ATOM 1158 CG2 VAL A 76 0.345 -6.671 0.932 1.00 0.00 C ATOM 0 H VAL A 76 1.684 -7.010 3.352 1.00 0.00 H new ATOM 0 HA VAL A 76 0.451 -9.148 1.895 1.00 0.00 H new ATOM 0 HB VAL A 76 2.464 -6.973 1.173 1.00 0.00 H new ATOM 0 HG11 VAL A 76 1.867 -7.473 -1.177 1.00 0.00 H new ATOM 0 HG12 VAL A 76 2.626 -8.881 -0.396 1.00 0.00 H new ATOM 0 HG13 VAL A 76 0.863 -8.837 -0.632 1.00 0.00 H new ATOM 0 HG21 VAL A 76 0.466 -5.904 0.167 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -0.539 -7.269 0.709 1.00 0.00 H new ATOM 0 HG23 VAL A 76 0.226 -6.197 1.906 1.00 0.00 H new ATOM 1168 N VAL A 77 3.716 -9.345 2.338 1.00 0.00 N ATOM 1169 CA VAL A 77 4.846 -10.306 2.245 1.00 0.00 C ATOM 1170 C VAL A 77 4.508 -11.573 3.029 1.00 0.00 C ATOM 1171 O VAL A 77 4.789 -12.675 2.601 1.00 0.00 O ATOM 1172 CB VAL A 77 6.095 -9.658 2.840 1.00 0.00 C ATOM 1173 CG1 VAL A 77 7.185 -10.711 2.992 1.00 0.00 C ATOM 1174 CG2 VAL A 77 6.590 -8.545 1.912 1.00 0.00 C ATOM 0 H VAL A 77 3.947 -8.445 2.758 1.00 0.00 H new ATOM 0 HA VAL A 77 5.023 -10.567 1.202 1.00 0.00 H new ATOM 0 HB VAL A 77 5.854 -9.235 3.815 1.00 0.00 H new ATOM 0 HG11 VAL A 77 8.078 -10.252 3.416 1.00 0.00 H new ATOM 0 HG12 VAL A 77 6.835 -11.504 3.653 1.00 0.00 H new ATOM 0 HG13 VAL A 77 7.423 -11.132 2.015 1.00 0.00 H new ATOM 0 HG21 VAL A 77 7.481 -8.085 2.339 1.00 0.00 H new ATOM 0 HG22 VAL A 77 6.831 -8.966 0.936 1.00 0.00 H new ATOM 0 HG23 VAL A 77 5.811 -7.791 1.800 1.00 0.00 H new ATOM 1184 N GLY A 78 3.912 -11.423 4.178 1.00 0.00 N ATOM 1185 CA GLY A 78 3.559 -12.611 5.000 1.00 0.00 C ATOM 1186 C GLY A 78 2.621 -13.541 4.226 1.00 0.00 C ATOM 1187 O GLY A 78 2.640 -14.742 4.411 1.00 0.00 O ATOM 0 H GLY A 78 3.653 -10.524 4.584 1.00 0.00 H new ATOM 0 HA2 GLY A 78 4.465 -13.149 5.279 1.00 0.00 H new ATOM 0 HA3 GLY A 78 3.080 -12.291 5.925 1.00 0.00 H new ATOM 1191 N ALA A 79 1.786 -13.003 3.374 1.00 0.00 N ATOM 1192 CA ALA A 79 0.841 -13.874 2.616 1.00 0.00 C ATOM 1193 C ALA A 79 1.306 -14.052 1.169 1.00 0.00 C ATOM 1194 O ALA A 79 1.389 -15.156 0.669 1.00 0.00 O ATOM 1195 CB ALA A 79 -0.549 -13.234 2.623 1.00 0.00 C ATOM 0 H ALA A 79 1.718 -12.005 3.172 1.00 0.00 H new ATOM 0 HA ALA A 79 0.809 -14.853 3.095 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -1.244 -13.867 2.070 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -0.895 -13.127 3.651 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -0.500 -12.252 2.153 1.00 0.00 H new ATOM 1201 N THR A 80 1.601 -12.977 0.489 1.00 0.00 N ATOM 1202 CA THR A 80 2.051 -13.091 -0.930 1.00 0.00 C ATOM 1203 C THR A 80 3.316 -12.259 -1.142 1.00 0.00 C ATOM 1204 O THR A 80 3.610 -11.354 -0.390 1.00 0.00 O ATOM 1205 CB THR A 80 0.947 -12.579 -1.857 1.00 0.00 C ATOM 1206 OG1 THR A 80 0.871 -11.163 -1.765 1.00 0.00 O ATOM 1207 CG2 THR A 80 -0.392 -13.192 -1.444 1.00 0.00 C ATOM 0 H THR A 80 1.550 -12.026 0.853 1.00 0.00 H new ATOM 0 HA THR A 80 2.265 -14.136 -1.155 1.00 0.00 H new ATOM 0 HB THR A 80 1.173 -12.864 -2.884 1.00 0.00 H new ATOM 0 HG1 THR A 80 0.165 -10.834 -2.360 1.00 0.00 H new ATOM 0 HG21 THR A 80 -1.178 -12.827 -2.105 1.00 0.00 H new ATOM 0 HG22 THR A 80 -0.333 -14.278 -1.516 1.00 0.00 H new ATOM 0 HG23 THR A 80 -0.621 -12.908 -0.417 1.00 0.00 H new ATOM 1215 N THR A 81 4.065 -12.555 -2.168 1.00 0.00 N ATOM 1216 CA THR A 81 5.305 -11.778 -2.431 1.00 0.00 C ATOM 1217 C THR A 81 5.422 -11.496 -3.935 1.00 0.00 C ATOM 1218 O THR A 81 6.029 -12.253 -4.666 1.00 0.00 O ATOM 1219 CB THR A 81 6.512 -12.594 -1.963 1.00 0.00 C ATOM 1220 OG1 THR A 81 7.689 -12.104 -2.594 1.00 0.00 O ATOM 1221 CG2 THR A 81 6.310 -14.065 -2.328 1.00 0.00 C ATOM 0 H THR A 81 3.871 -13.302 -2.835 1.00 0.00 H new ATOM 0 HA THR A 81 5.271 -10.832 -1.891 1.00 0.00 H new ATOM 0 HB THR A 81 6.614 -12.502 -0.882 1.00 0.00 H new ATOM 0 HG1 THR A 81 7.671 -12.337 -3.546 1.00 0.00 H new ATOM 0 HG21 THR A 81 7.171 -14.644 -1.994 1.00 0.00 H new ATOM 0 HG22 THR A 81 5.409 -14.440 -1.842 1.00 0.00 H new ATOM 0 HG23 THR A 81 6.206 -14.161 -3.409 1.00 0.00 H new