USER MOD reduce.3.24.130724 H: found=0, std=0, add=541, rem=0, adj=11 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= 1.11 USER MOD Set 1.2: A 71 SER OG : rot 100:sc= 1.14 USER MOD Single : A 2 GLN : amide:sc= -0.196 K(o=-0.2,f=-4.2!) USER MOD Single : A 3 HIS : no HE2:sc= -10.1! C(o=-10!,f=-16!) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 9 GLN :FLIP amide:sc= -7.11! C(o=-8.8!,f=-7.1!) USER MOD Single : A 33 ASN : amide:sc= 0 X(o=0,f=-0.4) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 144:sc= -0.193 (180deg=-1.12) USER MOD Single : A 62 SER OG : rot 180:sc= 0.0544 USER MOD Single : A 65 HIS : no HE2:sc= -5.17! C(o=-5.2!,f=-5.9!) USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 THR OG1 : rot -71:sc= 0.196 USER MOD ----------------------------------------------------------------- ATOM 20 N GLN A 2 11.450 -5.375 -0.772 1.00 0.00 N ATOM 21 CA GLN A 2 10.982 -6.446 -1.696 1.00 0.00 C ATOM 22 C GLN A 2 9.736 -5.963 -2.438 1.00 0.00 C ATOM 23 O GLN A 2 9.544 -6.249 -3.604 1.00 0.00 O ATOM 24 CB GLN A 2 10.637 -7.703 -0.894 1.00 0.00 C ATOM 25 CG GLN A 2 11.895 -8.236 -0.208 1.00 0.00 C ATOM 26 CD GLN A 2 11.549 -9.498 0.584 1.00 0.00 C ATOM 27 OE1 GLN A 2 10.391 -9.791 0.806 1.00 0.00 O ATOM 28 NE2 GLN A 2 12.511 -10.263 1.020 1.00 0.00 N ATOM 0 HA GLN A 2 11.771 -6.678 -2.411 1.00 0.00 H new ATOM 0 HB2 GLN A 2 9.874 -7.474 -0.150 1.00 0.00 H new ATOM 0 HB3 GLN A 2 10.220 -8.464 -1.553 1.00 0.00 H new ATOM 0 HG2 GLN A 2 12.661 -8.459 -0.951 1.00 0.00 H new ATOM 0 HG3 GLN A 2 12.308 -7.478 0.458 1.00 0.00 H new ATOM 0 HE21 GLN A 2 13.483 -10.017 0.833 1.00 0.00 H new ATOM 0 HE22 GLN A 2 12.291 -11.108 1.548 1.00 0.00 H new ATOM 37 N HIS A 3 8.885 -5.236 -1.769 1.00 0.00 N ATOM 38 CA HIS A 3 7.647 -4.735 -2.430 1.00 0.00 C ATOM 39 C HIS A 3 7.251 -3.384 -1.829 1.00 0.00 C ATOM 40 O HIS A 3 6.192 -2.857 -2.110 1.00 0.00 O ATOM 41 CB HIS A 3 6.516 -5.742 -2.207 1.00 0.00 C ATOM 42 CG HIS A 3 5.295 -5.305 -2.967 1.00 0.00 C ATOM 43 ND1 HIS A 3 4.262 -4.598 -2.366 1.00 0.00 N ATOM 44 CD2 HIS A 3 4.924 -5.469 -4.279 1.00 0.00 C ATOM 45 CE1 HIS A 3 3.328 -4.366 -3.308 1.00 0.00 C ATOM 46 NE2 HIS A 3 3.684 -4.876 -4.488 1.00 0.00 N ATOM 0 H HIS A 3 8.993 -4.967 -0.791 1.00 0.00 H new ATOM 0 HA HIS A 3 7.828 -4.614 -3.498 1.00 0.00 H new ATOM 0 HB2 HIS A 3 6.827 -6.733 -2.538 1.00 0.00 H new ATOM 0 HB3 HIS A 3 6.287 -5.818 -1.144 1.00 0.00 H new ATOM 0 HD1 HIS A 3 4.219 -4.307 -1.389 1.00 0.00 H new ATOM 0 HD2 HIS A 3 5.506 -5.980 -5.032 1.00 0.00 H new ATOM 0 HE1 HIS A 3 2.406 -3.833 -3.130 1.00 0.00 H new ATOM 55 N ALA A 4 8.087 -2.817 -1.001 1.00 0.00 N ATOM 56 CA ALA A 4 7.747 -1.503 -0.383 1.00 0.00 C ATOM 57 C ALA A 4 7.612 -0.438 -1.473 1.00 0.00 C ATOM 58 O ALA A 4 6.743 0.409 -1.419 1.00 0.00 O ATOM 59 CB ALA A 4 8.856 -1.097 0.590 1.00 0.00 C ATOM 0 H ALA A 4 8.989 -3.206 -0.726 1.00 0.00 H new ATOM 0 HA ALA A 4 6.802 -1.591 0.154 1.00 0.00 H new ATOM 0 HB1 ALA A 4 8.609 -0.137 1.043 1.00 0.00 H new ATOM 0 HB2 ALA A 4 8.950 -1.852 1.370 1.00 0.00 H new ATOM 0 HB3 ALA A 4 9.800 -1.012 0.051 1.00 0.00 H new ATOM 65 N SER A 5 8.466 -0.470 -2.458 1.00 0.00 N ATOM 66 CA SER A 5 8.384 0.547 -3.545 1.00 0.00 C ATOM 67 C SER A 5 7.039 0.434 -4.264 1.00 0.00 C ATOM 68 O SER A 5 6.425 1.423 -4.611 1.00 0.00 O ATOM 69 CB SER A 5 9.516 0.316 -4.545 1.00 0.00 C ATOM 70 OG SER A 5 9.449 1.300 -5.567 1.00 0.00 O ATOM 0 H SER A 5 9.216 -1.154 -2.558 1.00 0.00 H new ATOM 0 HA SER A 5 8.476 1.543 -3.111 1.00 0.00 H new ATOM 0 HB2 SER A 5 10.480 0.367 -4.038 1.00 0.00 H new ATOM 0 HB3 SER A 5 9.436 -0.681 -4.979 1.00 0.00 H new ATOM 0 HG SER A 5 10.175 1.155 -6.209 1.00 0.00 H new ATOM 76 N VAL A 6 6.576 -0.761 -4.490 1.00 0.00 N ATOM 77 CA VAL A 6 5.271 -0.932 -5.185 1.00 0.00 C ATOM 78 C VAL A 6 4.161 -0.325 -4.329 1.00 0.00 C ATOM 79 O VAL A 6 3.245 0.299 -4.826 1.00 0.00 O ATOM 80 CB VAL A 6 4.995 -2.419 -5.398 1.00 0.00 C ATOM 81 CG1 VAL A 6 3.577 -2.605 -5.937 1.00 0.00 C ATOM 82 CG2 VAL A 6 6.001 -2.984 -6.403 1.00 0.00 C ATOM 0 H VAL A 6 7.044 -1.627 -4.224 1.00 0.00 H new ATOM 0 HA VAL A 6 5.304 -0.430 -6.152 1.00 0.00 H new ATOM 0 HB VAL A 6 5.093 -2.946 -4.449 1.00 0.00 H new ATOM 0 HG11 VAL A 6 3.382 -3.667 -6.088 1.00 0.00 H new ATOM 0 HG12 VAL A 6 2.860 -2.203 -5.221 1.00 0.00 H new ATOM 0 HG13 VAL A 6 3.477 -2.079 -6.886 1.00 0.00 H new ATOM 0 HG21 VAL A 6 5.805 -4.045 -6.556 1.00 0.00 H new ATOM 0 HG22 VAL A 6 5.903 -2.456 -7.352 1.00 0.00 H new ATOM 0 HG23 VAL A 6 7.012 -2.853 -6.018 1.00 0.00 H new ATOM 92 N ILE A 7 4.236 -0.508 -3.044 1.00 0.00 N ATOM 93 CA ILE A 7 3.189 0.053 -2.147 1.00 0.00 C ATOM 94 C ILE A 7 3.178 1.581 -2.246 1.00 0.00 C ATOM 95 O ILE A 7 2.137 2.197 -2.357 1.00 0.00 O ATOM 96 CB ILE A 7 3.492 -0.360 -0.707 1.00 0.00 C ATOM 97 CG1 ILE A 7 3.464 -1.887 -0.605 1.00 0.00 C ATOM 98 CG2 ILE A 7 2.438 0.234 0.229 1.00 0.00 C ATOM 99 CD1 ILE A 7 3.986 -2.318 0.767 1.00 0.00 C ATOM 0 H ILE A 7 4.979 -1.024 -2.573 1.00 0.00 H new ATOM 0 HA ILE A 7 2.213 -0.330 -2.447 1.00 0.00 H new ATOM 0 HB ILE A 7 4.477 0.009 -0.420 1.00 0.00 H new ATOM 0 HG12 ILE A 7 2.448 -2.253 -0.750 1.00 0.00 H new ATOM 0 HG13 ILE A 7 4.076 -2.326 -1.393 1.00 0.00 H new ATOM 0 HG21 ILE A 7 2.655 -0.061 1.256 1.00 0.00 H new ATOM 0 HG22 ILE A 7 2.455 1.321 0.153 1.00 0.00 H new ATOM 0 HG23 ILE A 7 1.452 -0.134 -0.053 1.00 0.00 H new ATOM 0 HD11 ILE A 7 3.966 -3.405 0.839 1.00 0.00 H new ATOM 0 HD12 ILE A 7 5.009 -1.965 0.894 1.00 0.00 H new ATOM 0 HD13 ILE A 7 3.355 -1.891 1.547 1.00 0.00 H new ATOM 111 N ALA A 8 4.327 2.196 -2.191 1.00 0.00 N ATOM 112 CA ALA A 8 4.379 3.684 -2.267 1.00 0.00 C ATOM 113 C ALA A 8 3.867 4.167 -3.625 1.00 0.00 C ATOM 114 O ALA A 8 3.031 5.046 -3.704 1.00 0.00 O ATOM 115 CB ALA A 8 5.823 4.153 -2.077 1.00 0.00 C ATOM 0 H ALA A 8 5.231 1.734 -2.097 1.00 0.00 H new ATOM 0 HA ALA A 8 3.746 4.098 -1.482 1.00 0.00 H new ATOM 0 HB1 ALA A 8 5.862 5.241 -2.132 1.00 0.00 H new ATOM 0 HB2 ALA A 8 6.187 3.826 -1.103 1.00 0.00 H new ATOM 0 HB3 ALA A 8 6.450 3.727 -2.860 1.00 0.00 H new ATOM 121 N GLN A 9 4.363 3.610 -4.693 1.00 0.00 N ATOM 122 CA GLN A 9 3.900 4.053 -6.037 1.00 0.00 C ATOM 123 C GLN A 9 2.455 3.604 -6.264 1.00 0.00 C ATOM 124 O GLN A 9 1.641 4.346 -6.771 1.00 0.00 O ATOM 125 CB GLN A 9 4.819 3.481 -7.124 1.00 0.00 C ATOM 126 CG GLN A 9 4.467 2.021 -7.399 1.00 0.00 C ATOM 127 CD GLN A 9 3.280 1.951 -8.362 1.00 0.00 C ATOM 128 OE1 GLN A 9 2.365 1.038 -8.186 1.00 0.00 O flip ATOM 129 NE2 GLN A 9 3.186 2.735 -9.286 1.00 0.00 N flip ATOM 0 H GLN A 9 5.066 2.871 -4.695 1.00 0.00 H new ATOM 0 HA GLN A 9 3.939 5.141 -6.089 1.00 0.00 H new ATOM 0 HB2 GLN A 9 4.719 4.065 -8.039 1.00 0.00 H new ATOM 0 HB3 GLN A 9 5.859 3.558 -6.808 1.00 0.00 H new ATOM 0 HG2 GLN A 9 5.326 1.504 -7.827 1.00 0.00 H new ATOM 0 HG3 GLN A 9 4.222 1.514 -6.466 1.00 0.00 H new ATOM 0 HE21 GLN A 9 3.901 3.449 -9.424 1.00 0.00 H new ATOM 0 HE22 GLN A 9 2.392 2.679 -9.924 1.00 0.00 H new ATOM 138 N PHE A 10 2.127 2.402 -5.884 1.00 0.00 N ATOM 139 CA PHE A 10 0.733 1.916 -6.076 1.00 0.00 C ATOM 140 C PHE A 10 -0.229 2.816 -5.301 1.00 0.00 C ATOM 141 O PHE A 10 -1.251 3.234 -5.806 1.00 0.00 O ATOM 142 CB PHE A 10 0.621 0.481 -5.559 1.00 0.00 C ATOM 143 CG PHE A 10 -0.764 -0.055 -5.836 1.00 0.00 C ATOM 144 CD1 PHE A 10 -1.754 0.025 -4.849 1.00 0.00 C ATOM 145 CD2 PHE A 10 -1.056 -0.633 -7.077 1.00 0.00 C ATOM 146 CE1 PHE A 10 -3.036 -0.475 -5.102 1.00 0.00 C ATOM 147 CE2 PHE A 10 -2.340 -1.132 -7.331 1.00 0.00 C ATOM 148 CZ PHE A 10 -3.330 -1.052 -6.343 1.00 0.00 C ATOM 0 H PHE A 10 2.764 1.735 -5.449 1.00 0.00 H new ATOM 0 HA PHE A 10 0.479 1.941 -7.136 1.00 0.00 H new ATOM 0 HB2 PHE A 10 1.368 -0.149 -6.042 1.00 0.00 H new ATOM 0 HB3 PHE A 10 0.824 0.453 -4.489 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -1.528 0.473 -3.892 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -0.292 -0.694 -7.838 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -3.799 -0.416 -4.340 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -2.567 -1.578 -8.288 1.00 0.00 H new ATOM 0 HZ PHE A 10 -4.320 -1.436 -6.539 1.00 0.00 H new ATOM 158 N VAL A 11 0.093 3.112 -4.074 1.00 0.00 N ATOM 159 CA VAL A 11 -0.798 3.980 -3.257 1.00 0.00 C ATOM 160 C VAL A 11 -0.765 5.414 -3.794 1.00 0.00 C ATOM 161 O VAL A 11 -1.787 6.046 -3.969 1.00 0.00 O ATOM 162 CB VAL A 11 -0.310 3.971 -1.808 1.00 0.00 C ATOM 163 CG1 VAL A 11 -1.211 4.868 -0.959 1.00 0.00 C ATOM 164 CG2 VAL A 11 -0.352 2.541 -1.266 1.00 0.00 C ATOM 0 H VAL A 11 0.937 2.789 -3.600 1.00 0.00 H new ATOM 0 HA VAL A 11 -1.819 3.603 -3.309 1.00 0.00 H new ATOM 0 HB VAL A 11 0.713 4.345 -1.766 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -0.862 4.861 0.074 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -1.179 5.887 -1.346 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -2.235 4.497 -0.999 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -0.004 2.533 -0.233 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -1.375 2.166 -1.308 1.00 0.00 H new ATOM 0 HG23 VAL A 11 0.293 1.904 -1.871 1.00 0.00 H new ATOM 174 N VAL A 12 0.407 5.931 -4.049 1.00 0.00 N ATOM 175 CA VAL A 12 0.524 7.327 -4.565 1.00 0.00 C ATOM 176 C VAL A 12 -0.095 7.435 -5.960 1.00 0.00 C ATOM 177 O VAL A 12 -0.667 8.445 -6.319 1.00 0.00 O ATOM 178 CB VAL A 12 1.998 7.716 -4.634 1.00 0.00 C ATOM 179 CG1 VAL A 12 2.137 9.075 -5.326 1.00 0.00 C ATOM 180 CG2 VAL A 12 2.569 7.805 -3.218 1.00 0.00 C ATOM 0 H VAL A 12 1.294 5.444 -3.921 1.00 0.00 H new ATOM 0 HA VAL A 12 -0.008 7.999 -3.891 1.00 0.00 H new ATOM 0 HB VAL A 12 2.545 6.963 -5.200 1.00 0.00 H new ATOM 0 HG11 VAL A 12 3.190 9.352 -5.375 1.00 0.00 H new ATOM 0 HG12 VAL A 12 1.731 9.012 -6.336 1.00 0.00 H new ATOM 0 HG13 VAL A 12 1.589 9.829 -4.761 1.00 0.00 H new ATOM 0 HG21 VAL A 12 3.622 8.083 -3.267 1.00 0.00 H new ATOM 0 HG22 VAL A 12 2.021 8.558 -2.651 1.00 0.00 H new ATOM 0 HG23 VAL A 12 2.472 6.838 -2.725 1.00 0.00 H new ATOM 190 N GLU A 13 0.028 6.411 -6.754 1.00 0.00 N ATOM 191 CA GLU A 13 -0.537 6.463 -8.133 1.00 0.00 C ATOM 192 C GLU A 13 -2.016 6.850 -8.078 1.00 0.00 C ATOM 193 O GLU A 13 -2.516 7.556 -8.932 1.00 0.00 O ATOM 194 CB GLU A 13 -0.400 5.088 -8.791 1.00 0.00 C ATOM 195 CG GLU A 13 -0.859 5.160 -10.244 1.00 0.00 C ATOM 196 CD GLU A 13 -0.866 3.753 -10.846 1.00 0.00 C ATOM 197 OE1 GLU A 13 -1.192 3.631 -12.015 1.00 0.00 O ATOM 198 OE2 GLU A 13 -0.544 2.821 -10.127 1.00 0.00 O ATOM 0 H GLU A 13 0.496 5.538 -6.509 1.00 0.00 H new ATOM 0 HA GLU A 13 0.008 7.207 -8.714 1.00 0.00 H new ATOM 0 HB2 GLU A 13 0.637 4.754 -8.744 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -0.996 4.354 -8.248 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -1.856 5.596 -10.301 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -0.194 5.808 -10.815 1.00 0.00 H new ATOM 205 N GLU A 14 -2.722 6.387 -7.087 1.00 0.00 N ATOM 206 CA GLU A 14 -4.172 6.715 -6.982 1.00 0.00 C ATOM 207 C GLU A 14 -4.372 8.205 -6.680 1.00 0.00 C ATOM 208 O GLU A 14 -5.321 8.813 -7.135 1.00 0.00 O ATOM 209 CB GLU A 14 -4.799 5.884 -5.862 1.00 0.00 C ATOM 210 CG GLU A 14 -4.739 4.401 -6.231 1.00 0.00 C ATOM 211 CD GLU A 14 -5.426 3.575 -5.142 1.00 0.00 C ATOM 212 OE1 GLU A 14 -5.750 4.142 -4.112 1.00 0.00 O ATOM 213 OE2 GLU A 14 -5.617 2.390 -5.357 1.00 0.00 O ATOM 0 H GLU A 14 -2.358 5.793 -6.342 1.00 0.00 H new ATOM 0 HA GLU A 14 -4.651 6.484 -7.934 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -4.269 6.058 -4.925 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -5.834 6.189 -5.704 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -5.228 4.234 -7.191 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -3.702 4.085 -6.342 1.00 0.00 H new ATOM 220 N PHE A 15 -3.506 8.796 -5.903 1.00 0.00 N ATOM 221 CA PHE A 15 -3.683 10.240 -5.565 1.00 0.00 C ATOM 222 C PHE A 15 -2.932 11.124 -6.563 1.00 0.00 C ATOM 223 O PHE A 15 -3.528 11.909 -7.275 1.00 0.00 O ATOM 224 CB PHE A 15 -3.144 10.502 -4.157 1.00 0.00 C ATOM 225 CG PHE A 15 -3.802 9.553 -3.189 1.00 0.00 C ATOM 226 CD1 PHE A 15 -3.141 8.380 -2.815 1.00 0.00 C ATOM 227 CD2 PHE A 15 -5.071 9.837 -2.674 1.00 0.00 C ATOM 228 CE1 PHE A 15 -3.744 7.489 -1.925 1.00 0.00 C ATOM 229 CE2 PHE A 15 -5.678 8.947 -1.781 1.00 0.00 C ATOM 230 CZ PHE A 15 -5.014 7.772 -1.405 1.00 0.00 C ATOM 0 H PHE A 15 -2.689 8.347 -5.489 1.00 0.00 H new ATOM 0 HA PHE A 15 -4.745 10.481 -5.611 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -2.062 10.368 -4.138 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -3.342 11.533 -3.865 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -2.162 8.162 -3.215 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -5.582 10.743 -2.965 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -3.232 6.583 -1.638 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -6.657 9.166 -1.382 1.00 0.00 H new ATOM 0 HZ PHE A 15 -5.481 7.085 -0.715 1.00 0.00 H new ATOM 240 N LEU A 16 -1.629 11.018 -6.609 1.00 0.00 N ATOM 241 CA LEU A 16 -0.840 11.870 -7.548 1.00 0.00 C ATOM 242 C LEU A 16 0.050 10.994 -8.432 1.00 0.00 C ATOM 243 O LEU A 16 1.220 10.814 -8.159 1.00 0.00 O ATOM 244 CB LEU A 16 0.039 12.823 -6.739 1.00 0.00 C ATOM 245 CG LEU A 16 -0.631 14.196 -6.663 1.00 0.00 C ATOM 246 CD1 LEU A 16 -1.977 14.069 -5.949 1.00 0.00 C ATOM 247 CD2 LEU A 16 0.270 15.159 -5.885 1.00 0.00 C ATOM 0 H LEU A 16 -1.077 10.378 -6.037 1.00 0.00 H new ATOM 0 HA LEU A 16 -1.525 12.436 -8.180 1.00 0.00 H new ATOM 0 HB2 LEU A 16 0.195 12.427 -5.736 1.00 0.00 H new ATOM 0 HB3 LEU A 16 1.021 12.911 -7.203 1.00 0.00 H new ATOM 0 HG LEU A 16 -0.790 14.579 -7.671 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -2.454 15.048 -5.895 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -2.619 13.383 -6.501 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -1.819 13.686 -4.941 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -0.206 16.138 -5.830 1.00 0.00 H new ATOM 0 HD22 LEU A 16 0.428 14.775 -4.877 1.00 0.00 H new ATOM 0 HD23 LEU A 16 1.230 15.250 -6.393 1.00 0.00 H new ATOM 301 N ALA A 20 6.351 11.848 -9.799 1.00 0.00 N ATOM 302 CA ALA A 20 7.175 10.636 -9.553 1.00 0.00 C ATOM 303 C ALA A 20 6.951 10.179 -8.102 1.00 0.00 C ATOM 304 O ALA A 20 7.252 10.909 -7.179 1.00 0.00 O ATOM 305 CB ALA A 20 8.653 10.978 -9.754 1.00 0.00 C ATOM 0 HA ALA A 20 6.891 9.843 -10.245 1.00 0.00 H new ATOM 0 HB1 ALA A 20 9.260 10.090 -9.574 1.00 0.00 H new ATOM 0 HB2 ALA A 20 8.811 11.324 -10.775 1.00 0.00 H new ATOM 0 HB3 ALA A 20 8.943 11.763 -9.056 1.00 0.00 H new ATOM 311 N PRO A 21 6.417 8.994 -7.881 1.00 0.00 N ATOM 312 CA PRO A 21 6.160 8.501 -6.499 1.00 0.00 C ATOM 313 C PRO A 21 7.461 8.303 -5.717 1.00 0.00 C ATOM 314 O PRO A 21 7.488 8.369 -4.503 1.00 0.00 O ATOM 315 CB PRO A 21 5.413 7.179 -6.688 1.00 0.00 C ATOM 316 CG PRO A 21 5.669 6.749 -8.093 1.00 0.00 C ATOM 317 CD PRO A 21 6.019 8.001 -8.897 1.00 0.00 C ATOM 0 HA PRO A 21 5.582 9.217 -5.915 1.00 0.00 H new ATOM 0 HB2 PRO A 21 5.767 6.428 -5.981 1.00 0.00 H new ATOM 0 HB3 PRO A 21 4.345 7.307 -6.509 1.00 0.00 H new ATOM 0 HG2 PRO A 21 6.485 6.028 -8.131 1.00 0.00 H new ATOM 0 HG3 PRO A 21 4.790 6.258 -8.510 1.00 0.00 H new ATOM 0 HD2 PRO A 21 6.828 7.807 -9.601 1.00 0.00 H new ATOM 0 HD3 PRO A 21 5.166 8.350 -9.480 1.00 0.00 H new ATOM 325 N ALA A 22 8.544 8.072 -6.408 1.00 0.00 N ATOM 326 CA ALA A 22 9.849 7.882 -5.718 1.00 0.00 C ATOM 327 C ALA A 22 10.310 9.218 -5.136 1.00 0.00 C ATOM 328 O ALA A 22 11.199 9.276 -4.309 1.00 0.00 O ATOM 329 CB ALA A 22 10.888 7.374 -6.720 1.00 0.00 C ATOM 0 H ALA A 22 8.580 8.007 -7.425 1.00 0.00 H new ATOM 0 HA ALA A 22 9.736 7.153 -4.915 1.00 0.00 H new ATOM 0 HB1 ALA A 22 11.844 7.235 -6.214 1.00 0.00 H new ATOM 0 HB2 ALA A 22 10.557 6.423 -7.137 1.00 0.00 H new ATOM 0 HB3 ALA A 22 11.005 8.102 -7.523 1.00 0.00 H new ATOM 335 N ASP A 23 9.711 10.296 -5.563 1.00 0.00 N ATOM 336 CA ASP A 23 10.108 11.632 -5.040 1.00 0.00 C ATOM 337 C ASP A 23 9.395 11.876 -3.713 1.00 0.00 C ATOM 338 O ASP A 23 9.520 12.923 -3.109 1.00 0.00 O ATOM 339 CB ASP A 23 9.706 12.715 -6.043 1.00 0.00 C ATOM 340 CG ASP A 23 10.528 12.556 -7.324 1.00 0.00 C ATOM 341 OD1 ASP A 23 11.497 11.816 -7.294 1.00 0.00 O ATOM 342 OD2 ASP A 23 10.173 13.176 -8.313 1.00 0.00 O ATOM 0 H ASP A 23 8.961 10.308 -6.254 1.00 0.00 H new ATOM 0 HA ASP A 23 11.187 11.664 -4.891 1.00 0.00 H new ATOM 0 HB2 ASP A 23 8.642 12.639 -6.269 1.00 0.00 H new ATOM 0 HB3 ASP A 23 9.871 13.703 -5.613 1.00 0.00 H new ATOM 347 N VAL A 24 8.651 10.910 -3.254 1.00 0.00 N ATOM 348 CA VAL A 24 7.930 11.071 -1.964 1.00 0.00 C ATOM 349 C VAL A 24 8.677 10.293 -0.882 1.00 0.00 C ATOM 350 O VAL A 24 9.125 9.185 -1.101 1.00 0.00 O ATOM 351 CB VAL A 24 6.509 10.522 -2.101 1.00 0.00 C ATOM 352 CG1 VAL A 24 5.728 10.795 -0.815 1.00 0.00 C ATOM 353 CG2 VAL A 24 5.810 11.208 -3.277 1.00 0.00 C ATOM 0 H VAL A 24 8.511 10.013 -3.719 1.00 0.00 H new ATOM 0 HA VAL A 24 7.881 12.126 -1.695 1.00 0.00 H new ATOM 0 HB VAL A 24 6.551 9.447 -2.278 1.00 0.00 H new ATOM 0 HG11 VAL A 24 4.716 10.403 -0.914 1.00 0.00 H new ATOM 0 HG12 VAL A 24 6.225 10.307 0.023 1.00 0.00 H new ATOM 0 HG13 VAL A 24 5.685 11.869 -0.636 1.00 0.00 H new ATOM 0 HG21 VAL A 24 4.797 10.818 -3.376 1.00 0.00 H new ATOM 0 HG22 VAL A 24 5.769 12.283 -3.099 1.00 0.00 H new ATOM 0 HG23 VAL A 24 6.365 11.013 -4.194 1.00 0.00 H new ATOM 363 N ASP A 25 8.827 10.863 0.280 1.00 0.00 N ATOM 364 CA ASP A 25 9.557 10.149 1.362 1.00 0.00 C ATOM 365 C ASP A 25 8.756 8.919 1.788 1.00 0.00 C ATOM 366 O ASP A 25 7.940 8.976 2.687 1.00 0.00 O ATOM 367 CB ASP A 25 9.733 11.083 2.561 1.00 0.00 C ATOM 368 CG ASP A 25 10.666 12.234 2.180 1.00 0.00 C ATOM 369 OD1 ASP A 25 11.302 12.136 1.143 1.00 0.00 O ATOM 370 OD2 ASP A 25 10.728 13.193 2.930 1.00 0.00 O ATOM 0 H ASP A 25 8.477 11.789 0.527 1.00 0.00 H new ATOM 0 HA ASP A 25 10.536 9.838 0.997 1.00 0.00 H new ATOM 0 HB2 ASP A 25 8.765 11.474 2.876 1.00 0.00 H new ATOM 0 HB3 ASP A 25 10.144 10.532 3.407 1.00 0.00 H new ATOM 375 N VAL A 26 8.984 7.803 1.150 1.00 0.00 N ATOM 376 CA VAL A 26 8.235 6.569 1.522 1.00 0.00 C ATOM 377 C VAL A 26 8.563 6.195 2.969 1.00 0.00 C ATOM 378 O VAL A 26 8.061 5.223 3.499 1.00 0.00 O ATOM 379 CB VAL A 26 8.646 5.424 0.593 1.00 0.00 C ATOM 380 CG1 VAL A 26 8.457 5.853 -0.862 1.00 0.00 C ATOM 381 CG2 VAL A 26 10.117 5.076 0.835 1.00 0.00 C ATOM 0 H VAL A 26 9.655 7.693 0.389 1.00 0.00 H new ATOM 0 HA VAL A 26 7.164 6.748 1.425 1.00 0.00 H new ATOM 0 HB VAL A 26 8.026 4.551 0.797 1.00 0.00 H new ATOM 0 HG11 VAL A 26 8.750 5.037 -1.523 1.00 0.00 H new ATOM 0 HG12 VAL A 26 7.410 6.102 -1.035 1.00 0.00 H new ATOM 0 HG13 VAL A 26 9.076 6.726 -1.067 1.00 0.00 H new ATOM 0 HG21 VAL A 26 10.411 4.261 0.174 1.00 0.00 H new ATOM 0 HG22 VAL A 26 10.736 5.950 0.631 1.00 0.00 H new ATOM 0 HG23 VAL A 26 10.252 4.769 1.872 1.00 0.00 H new ATOM 391 N ASP A 27 9.396 6.965 3.615 1.00 0.00 N ATOM 392 CA ASP A 27 9.750 6.664 5.030 1.00 0.00 C ATOM 393 C ASP A 27 8.824 7.457 5.954 1.00 0.00 C ATOM 394 O ASP A 27 8.998 7.482 7.157 1.00 0.00 O ATOM 395 CB ASP A 27 11.202 7.067 5.292 1.00 0.00 C ATOM 396 CG ASP A 27 12.136 6.175 4.472 1.00 0.00 C ATOM 397 OD1 ASP A 27 11.667 5.173 3.960 1.00 0.00 O ATOM 398 OD2 ASP A 27 13.305 6.510 4.370 1.00 0.00 O ATOM 0 H ASP A 27 9.847 7.791 3.222 1.00 0.00 H new ATOM 0 HA ASP A 27 9.635 5.597 5.220 1.00 0.00 H new ATOM 0 HB2 ASP A 27 11.354 8.113 5.025 1.00 0.00 H new ATOM 0 HB3 ASP A 27 11.431 6.972 6.354 1.00 0.00 H new ATOM 403 N LEU A 28 7.842 8.108 5.394 1.00 0.00 N ATOM 404 CA LEU A 28 6.898 8.908 6.223 1.00 0.00 C ATOM 405 C LEU A 28 5.660 8.075 6.536 1.00 0.00 C ATOM 406 O LEU A 28 5.129 7.393 5.683 1.00 0.00 O ATOM 407 CB LEU A 28 6.473 10.154 5.444 1.00 0.00 C ATOM 408 CG LEU A 28 5.617 11.060 6.334 1.00 0.00 C ATOM 409 CD1 LEU A 28 6.516 12.053 7.071 1.00 0.00 C ATOM 410 CD2 LEU A 28 4.615 11.822 5.463 1.00 0.00 C ATOM 0 H LEU A 28 7.652 8.120 4.392 1.00 0.00 H new ATOM 0 HA LEU A 28 7.390 9.198 7.151 1.00 0.00 H new ATOM 0 HB2 LEU A 28 7.354 10.696 5.099 1.00 0.00 H new ATOM 0 HB3 LEU A 28 5.910 9.864 4.557 1.00 0.00 H new ATOM 0 HG LEU A 28 5.080 10.454 7.063 1.00 0.00 H new ATOM 0 HD11 LEU A 28 5.905 12.697 7.704 1.00 0.00 H new ATOM 0 HD12 LEU A 28 7.230 11.508 7.689 1.00 0.00 H new ATOM 0 HD13 LEU A 28 7.055 12.663 6.346 1.00 0.00 H new ATOM 0 HD21 LEU A 28 4.003 12.468 6.093 1.00 0.00 H new ATOM 0 HD22 LEU A 28 5.153 12.429 4.735 1.00 0.00 H new ATOM 0 HD23 LEU A 28 3.974 11.112 4.940 1.00 0.00 H new ATOM 422 N ASP A 29 5.183 8.136 7.746 1.00 0.00 N ATOM 423 CA ASP A 29 3.968 7.357 8.087 1.00 0.00 C ATOM 424 C ASP A 29 2.821 7.861 7.213 1.00 0.00 C ATOM 425 O ASP A 29 2.491 9.031 7.221 1.00 0.00 O ATOM 426 CB ASP A 29 3.621 7.558 9.565 1.00 0.00 C ATOM 427 CG ASP A 29 4.719 6.943 10.436 1.00 0.00 C ATOM 428 OD1 ASP A 29 5.527 6.203 9.900 1.00 0.00 O ATOM 429 OD2 ASP A 29 4.732 7.223 11.622 1.00 0.00 O ATOM 0 H ASP A 29 5.580 8.688 8.507 1.00 0.00 H new ATOM 0 HA ASP A 29 4.138 6.295 7.911 1.00 0.00 H new ATOM 0 HB2 ASP A 29 3.521 8.621 9.785 1.00 0.00 H new ATOM 0 HB3 ASP A 29 2.661 7.094 9.790 1.00 0.00 H new ATOM 434 N LEU A 30 2.226 6.997 6.444 1.00 0.00 N ATOM 435 CA LEU A 30 1.121 7.438 5.553 1.00 0.00 C ATOM 436 C LEU A 30 -0.095 7.844 6.391 1.00 0.00 C ATOM 437 O LEU A 30 -1.131 8.192 5.860 1.00 0.00 O ATOM 438 CB LEU A 30 0.735 6.296 4.613 1.00 0.00 C ATOM 439 CG LEU A 30 0.402 5.054 5.437 1.00 0.00 C ATOM 440 CD1 LEU A 30 -0.913 4.451 4.942 1.00 0.00 C ATOM 441 CD2 LEU A 30 1.525 4.028 5.286 1.00 0.00 C ATOM 0 H LEU A 30 2.457 6.005 6.394 1.00 0.00 H new ATOM 0 HA LEU A 30 1.455 8.295 4.968 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -0.123 6.584 4.005 1.00 0.00 H new ATOM 0 HB3 LEU A 30 1.554 6.082 3.927 1.00 0.00 H new ATOM 0 HG LEU A 30 0.301 5.329 6.487 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -1.151 3.565 5.530 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -1.713 5.184 5.050 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -0.814 4.174 3.892 1.00 0.00 H new ATOM 0 HD21 LEU A 30 1.289 3.141 5.874 1.00 0.00 H new ATOM 0 HD22 LEU A 30 1.627 3.752 4.237 1.00 0.00 H new ATOM 0 HD23 LEU A 30 2.462 4.459 5.640 1.00 0.00 H new ATOM 453 N VAL A 31 0.017 7.808 7.692 1.00 0.00 N ATOM 454 CA VAL A 31 -1.146 8.201 8.535 1.00 0.00 C ATOM 455 C VAL A 31 -1.647 9.560 8.060 1.00 0.00 C ATOM 456 O VAL A 31 -2.835 9.802 7.978 1.00 0.00 O ATOM 457 CB VAL A 31 -0.717 8.288 10.000 1.00 0.00 C ATOM 458 CG1 VAL A 31 0.093 9.567 10.221 1.00 0.00 C ATOM 459 CG2 VAL A 31 -1.960 8.312 10.894 1.00 0.00 C ATOM 0 H VAL A 31 0.854 7.527 8.202 1.00 0.00 H new ATOM 0 HA VAL A 31 -1.940 7.459 8.448 1.00 0.00 H new ATOM 0 HB VAL A 31 -0.104 7.422 10.250 1.00 0.00 H new ATOM 0 HG11 VAL A 31 0.398 9.628 11.266 1.00 0.00 H new ATOM 0 HG12 VAL A 31 0.978 9.552 9.585 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -0.519 10.433 9.971 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -1.656 8.374 11.939 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -2.572 9.178 10.642 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -2.538 7.401 10.738 1.00 0.00 H new ATOM 469 N ASP A 32 -0.752 10.439 7.716 1.00 0.00 N ATOM 470 CA ASP A 32 -1.184 11.766 7.210 1.00 0.00 C ATOM 471 C ASP A 32 -2.076 11.523 5.995 1.00 0.00 C ATOM 472 O ASP A 32 -3.048 12.215 5.764 1.00 0.00 O ATOM 473 CB ASP A 32 0.038 12.591 6.800 1.00 0.00 C ATOM 474 CG ASP A 32 0.858 12.942 8.043 1.00 0.00 C ATOM 475 OD1 ASP A 32 0.353 12.745 9.137 1.00 0.00 O ATOM 476 OD2 ASP A 32 1.976 13.401 7.881 1.00 0.00 O ATOM 0 H ASP A 32 0.257 10.296 7.763 1.00 0.00 H new ATOM 0 HA ASP A 32 -1.724 12.315 7.982 1.00 0.00 H new ATOM 0 HB2 ASP A 32 0.650 12.028 6.095 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -0.279 13.502 6.291 1.00 0.00 H new ATOM 481 N ASN A 33 -1.750 10.518 5.229 1.00 0.00 N ATOM 482 CA ASN A 33 -2.563 10.179 4.032 1.00 0.00 C ATOM 483 C ASN A 33 -3.694 9.245 4.456 1.00 0.00 C ATOM 484 O ASN A 33 -4.238 8.511 3.655 1.00 0.00 O ATOM 485 CB ASN A 33 -1.690 9.482 2.995 1.00 0.00 C ATOM 486 CG ASN A 33 -0.538 10.402 2.600 1.00 0.00 C ATOM 487 OD1 ASN A 33 -0.729 11.582 2.386 1.00 0.00 O ATOM 488 ND2 ASN A 33 0.660 9.905 2.499 1.00 0.00 N ATOM 0 H ASN A 33 -0.945 9.912 5.386 1.00 0.00 H new ATOM 0 HA ASN A 33 -2.974 11.090 3.596 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -1.301 8.548 3.400 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -2.283 9.226 2.117 1.00 0.00 H new ATOM 0 HD21 ASN A 33 1.442 10.507 2.240 1.00 0.00 H new ATOM 0 HD22 ASN A 33 0.818 8.914 2.679 1.00 0.00 H new ATOM 495 N GLY A 34 -4.040 9.264 5.716 1.00 0.00 N ATOM 496 CA GLY A 34 -5.132 8.381 6.214 1.00 0.00 C ATOM 497 C GLY A 34 -6.291 8.389 5.216 1.00 0.00 C ATOM 498 O GLY A 34 -7.169 7.555 5.264 1.00 0.00 O ATOM 0 H GLY A 34 -3.609 9.858 6.425 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -4.760 7.365 6.347 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -5.476 8.725 7.189 1.00 0.00 H new ATOM 502 N VAL A 35 -6.295 9.318 4.304 1.00 0.00 N ATOM 503 CA VAL A 35 -7.395 9.365 3.302 1.00 0.00 C ATOM 504 C VAL A 35 -7.539 7.980 2.670 1.00 0.00 C ATOM 505 O VAL A 35 -8.625 7.538 2.353 1.00 0.00 O ATOM 506 CB VAL A 35 -7.049 10.388 2.217 1.00 0.00 C ATOM 507 CG1 VAL A 35 -8.043 10.267 1.060 1.00 0.00 C ATOM 508 CG2 VAL A 35 -7.124 11.799 2.805 1.00 0.00 C ATOM 0 H VAL A 35 -5.586 10.046 4.208 1.00 0.00 H new ATOM 0 HA VAL A 35 -8.329 9.654 3.784 1.00 0.00 H new ATOM 0 HB VAL A 35 -6.041 10.198 1.850 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -7.794 10.996 0.289 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -7.991 9.263 0.640 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -9.052 10.456 1.426 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -6.878 12.528 2.033 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -8.133 11.987 3.173 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -6.415 11.888 3.628 1.00 0.00 H new ATOM 518 N ILE A 36 -6.445 7.294 2.490 1.00 0.00 N ATOM 519 CA ILE A 36 -6.496 5.935 1.883 1.00 0.00 C ATOM 520 C ILE A 36 -7.141 4.950 2.863 1.00 0.00 C ATOM 521 O ILE A 36 -7.590 3.886 2.486 1.00 0.00 O ATOM 522 CB ILE A 36 -5.070 5.464 1.591 1.00 0.00 C ATOM 523 CG1 ILE A 36 -5.104 4.314 0.585 1.00 0.00 C ATOM 524 CG2 ILE A 36 -4.429 4.976 2.890 1.00 0.00 C ATOM 525 CD1 ILE A 36 -3.822 3.488 0.706 1.00 0.00 C ATOM 0 H ILE A 36 -5.511 7.619 2.739 1.00 0.00 H new ATOM 0 HA ILE A 36 -7.081 5.976 0.964 1.00 0.00 H new ATOM 0 HB ILE A 36 -4.491 6.290 1.177 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -5.974 3.683 0.768 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -5.202 4.706 -0.427 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -3.412 4.639 2.690 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -4.405 5.792 3.613 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -5.012 4.149 3.295 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -3.848 2.668 -0.012 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -2.960 4.123 0.501 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -3.744 3.084 1.715 1.00 0.00 H new ATOM 537 N ASP A 37 -7.164 5.287 4.122 1.00 0.00 N ATOM 538 CA ASP A 37 -7.746 4.363 5.138 1.00 0.00 C ATOM 539 C ASP A 37 -9.186 3.985 4.777 1.00 0.00 C ATOM 540 O ASP A 37 -9.629 2.894 5.075 1.00 0.00 O ATOM 541 CB ASP A 37 -7.738 5.040 6.511 1.00 0.00 C ATOM 542 CG ASP A 37 -6.293 5.292 6.947 1.00 0.00 C ATOM 543 OD1 ASP A 37 -6.100 6.063 7.872 1.00 0.00 O ATOM 544 OD2 ASP A 37 -5.404 4.710 6.348 1.00 0.00 O ATOM 0 H ASP A 37 -6.804 6.166 4.494 1.00 0.00 H new ATOM 0 HA ASP A 37 -7.141 3.457 5.160 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -8.285 5.982 6.467 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -8.245 4.410 7.242 1.00 0.00 H new ATOM 549 N SER A 38 -9.929 4.873 4.168 1.00 0.00 N ATOM 550 CA SER A 38 -11.349 4.543 3.832 1.00 0.00 C ATOM 551 C SER A 38 -11.578 4.542 2.318 1.00 0.00 C ATOM 552 O SER A 38 -11.912 3.527 1.737 1.00 0.00 O ATOM 553 CB SER A 38 -12.271 5.578 4.479 1.00 0.00 C ATOM 554 OG SER A 38 -12.887 5.000 5.638 1.00 0.00 O ATOM 0 H SER A 38 -9.619 5.804 3.890 1.00 0.00 H new ATOM 0 HA SER A 38 -11.568 3.545 4.212 1.00 0.00 H new ATOM 0 HB2 SER A 38 -11.703 6.465 4.758 1.00 0.00 H new ATOM 0 HB3 SER A 38 -13.033 5.899 3.769 1.00 0.00 H new ATOM 0 HG SER A 38 -13.478 5.660 6.058 1.00 0.00 H new ATOM 559 N LEU A 39 -11.430 5.665 1.675 1.00 0.00 N ATOM 560 CA LEU A 39 -11.673 5.712 0.206 1.00 0.00 C ATOM 561 C LEU A 39 -10.679 4.809 -0.519 1.00 0.00 C ATOM 562 O LEU A 39 -11.050 3.967 -1.311 1.00 0.00 O ATOM 563 CB LEU A 39 -11.514 7.148 -0.295 1.00 0.00 C ATOM 564 CG LEU A 39 -12.696 8.002 0.170 1.00 0.00 C ATOM 565 CD1 LEU A 39 -12.470 8.469 1.611 1.00 0.00 C ATOM 566 CD2 LEU A 39 -12.828 9.220 -0.744 1.00 0.00 C ATOM 0 H LEU A 39 -11.152 6.550 2.100 1.00 0.00 H new ATOM 0 HA LEU A 39 -12.686 5.364 0.004 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -10.581 7.570 0.079 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -11.455 7.157 -1.383 1.00 0.00 H new ATOM 0 HG LEU A 39 -13.608 7.407 0.127 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -13.316 9.076 1.934 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -12.376 7.601 2.264 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -11.557 9.062 1.662 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -13.669 9.831 -0.416 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -11.912 9.809 -0.700 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -12.997 8.889 -1.769 1.00 0.00 H new ATOM 578 N GLY A 40 -9.418 4.977 -0.254 1.00 0.00 N ATOM 579 CA GLY A 40 -8.399 4.128 -0.926 1.00 0.00 C ATOM 580 C GLY A 40 -8.481 2.700 -0.389 1.00 0.00 C ATOM 581 O GLY A 40 -8.340 1.740 -1.120 1.00 0.00 O ATOM 0 H GLY A 40 -9.047 5.666 0.400 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -8.563 4.131 -2.004 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -7.402 4.535 -0.754 1.00 0.00 H new ATOM 585 N LEU A 41 -8.705 2.555 0.887 1.00 0.00 N ATOM 586 CA LEU A 41 -8.792 1.196 1.481 1.00 0.00 C ATOM 587 C LEU A 41 -9.904 0.405 0.797 1.00 0.00 C ATOM 588 O LEU A 41 -9.746 -0.754 0.475 1.00 0.00 O ATOM 589 CB LEU A 41 -9.103 1.326 2.974 1.00 0.00 C ATOM 590 CG LEU A 41 -9.114 -0.059 3.629 1.00 0.00 C ATOM 591 CD1 LEU A 41 -8.985 0.100 5.142 1.00 0.00 C ATOM 592 CD2 LEU A 41 -10.422 -0.799 3.310 1.00 0.00 C ATOM 0 H LEU A 41 -8.832 3.324 1.545 1.00 0.00 H new ATOM 0 HA LEU A 41 -7.845 0.674 1.343 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -8.358 1.959 3.455 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -10.070 1.810 3.112 1.00 0.00 H new ATOM 0 HG LEU A 41 -8.278 -0.638 3.237 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -8.992 -0.883 5.613 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -8.049 0.608 5.376 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -9.821 0.689 5.519 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -10.410 -1.780 3.784 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -11.267 -0.224 3.688 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -10.518 -0.919 2.231 1.00 0.00 H new ATOM 604 N LEU A 42 -11.025 1.021 0.567 1.00 0.00 N ATOM 605 CA LEU A 42 -12.137 0.290 -0.100 1.00 0.00 C ATOM 606 C LEU A 42 -11.668 -0.177 -1.479 1.00 0.00 C ATOM 607 O LEU A 42 -11.899 -1.302 -1.877 1.00 0.00 O ATOM 608 CB LEU A 42 -13.342 1.222 -0.254 1.00 0.00 C ATOM 609 CG LEU A 42 -14.540 0.440 -0.795 1.00 0.00 C ATOM 610 CD1 LEU A 42 -15.227 -0.295 0.353 1.00 0.00 C ATOM 611 CD2 LEU A 42 -15.529 1.410 -1.443 1.00 0.00 C ATOM 0 H LEU A 42 -11.221 1.992 0.809 1.00 0.00 H new ATOM 0 HA LEU A 42 -12.426 -0.572 0.501 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -13.593 1.668 0.708 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -13.096 2.040 -0.930 1.00 0.00 H new ATOM 0 HG LEU A 42 -14.199 -0.282 -1.537 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -16.081 -0.853 -0.031 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -14.522 -0.985 0.817 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -15.569 0.427 1.094 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -16.384 0.854 -1.829 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -15.871 2.131 -0.701 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -15.039 1.937 -2.262 1.00 0.00 H new ATOM 623 N LYS A 43 -11.004 0.678 -2.207 1.00 0.00 N ATOM 624 CA LYS A 43 -10.511 0.287 -3.554 1.00 0.00 C ATOM 625 C LYS A 43 -9.379 -0.736 -3.420 1.00 0.00 C ATOM 626 O LYS A 43 -9.285 -1.677 -4.182 1.00 0.00 O ATOM 627 CB LYS A 43 -9.995 1.527 -4.276 1.00 0.00 C ATOM 628 CG LYS A 43 -11.152 2.497 -4.523 1.00 0.00 C ATOM 629 CD LYS A 43 -10.657 3.685 -5.350 1.00 0.00 C ATOM 630 CE LYS A 43 -11.780 4.712 -5.491 1.00 0.00 C ATOM 631 NZ LYS A 43 -12.286 5.084 -4.139 1.00 0.00 N ATOM 0 H LYS A 43 -10.782 1.633 -1.925 1.00 0.00 H new ATOM 0 HA LYS A 43 -11.327 -0.159 -4.123 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -9.222 2.012 -3.680 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -9.536 1.244 -5.223 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -11.961 1.988 -5.047 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -11.557 2.846 -3.573 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -9.791 4.141 -4.869 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -10.334 3.347 -6.334 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -11.414 5.598 -6.010 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -12.590 4.301 -6.094 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -12.540 6.092 -4.129 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -13.125 4.513 -3.913 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -11.546 4.906 -3.430 1.00 0.00 H new ATOM 645 N VAL A 44 -8.511 -0.548 -2.462 1.00 0.00 N ATOM 646 CA VAL A 44 -7.372 -1.495 -2.284 1.00 0.00 C ATOM 647 C VAL A 44 -7.886 -2.875 -1.868 1.00 0.00 C ATOM 648 O VAL A 44 -7.454 -3.888 -2.380 1.00 0.00 O ATOM 649 CB VAL A 44 -6.432 -0.956 -1.205 1.00 0.00 C ATOM 650 CG1 VAL A 44 -5.347 -1.992 -0.909 1.00 0.00 C ATOM 651 CG2 VAL A 44 -5.780 0.338 -1.697 1.00 0.00 C ATOM 0 H VAL A 44 -8.542 0.222 -1.794 1.00 0.00 H new ATOM 0 HA VAL A 44 -6.838 -1.589 -3.230 1.00 0.00 H new ATOM 0 HB VAL A 44 -7.000 -0.755 -0.297 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -4.677 -1.608 -0.140 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -5.810 -2.914 -0.559 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -4.779 -2.194 -1.817 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -5.110 0.723 -0.928 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -5.213 0.137 -2.606 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -6.553 1.077 -1.908 1.00 0.00 H new ATOM 661 N ILE A 45 -8.800 -2.927 -0.939 1.00 0.00 N ATOM 662 CA ILE A 45 -9.331 -4.242 -0.491 1.00 0.00 C ATOM 663 C ILE A 45 -9.957 -4.972 -1.680 1.00 0.00 C ATOM 664 O ILE A 45 -9.664 -6.123 -1.938 1.00 0.00 O ATOM 665 CB ILE A 45 -10.383 -4.014 0.597 1.00 0.00 C ATOM 666 CG1 ILE A 45 -9.732 -4.155 1.977 1.00 0.00 C ATOM 667 CG2 ILE A 45 -11.506 -5.044 0.462 1.00 0.00 C ATOM 668 CD1 ILE A 45 -8.461 -3.305 2.040 1.00 0.00 C ATOM 0 H ILE A 45 -9.202 -2.114 -0.471 1.00 0.00 H new ATOM 0 HA ILE A 45 -8.521 -4.850 -0.088 1.00 0.00 H new ATOM 0 HB ILE A 45 -10.797 -3.012 0.486 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -10.430 -3.840 2.752 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -9.491 -5.200 2.171 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -12.250 -4.875 1.240 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -11.975 -4.945 -0.517 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -11.094 -6.048 0.567 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -8.002 -3.409 3.023 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -7.760 -3.641 1.275 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -8.714 -2.259 1.866 1.00 0.00 H new ATOM 680 N ALA A 46 -10.814 -4.313 -2.407 1.00 0.00 N ATOM 681 CA ALA A 46 -11.455 -4.971 -3.578 1.00 0.00 C ATOM 682 C ALA A 46 -10.394 -5.276 -4.638 1.00 0.00 C ATOM 683 O ALA A 46 -10.489 -6.245 -5.362 1.00 0.00 O ATOM 684 CB ALA A 46 -12.512 -4.036 -4.171 1.00 0.00 C ATOM 0 H ALA A 46 -11.098 -3.348 -2.241 1.00 0.00 H new ATOM 0 HA ALA A 46 -11.927 -5.900 -3.259 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -12.983 -4.516 -5.029 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -13.269 -3.818 -3.417 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -12.039 -3.107 -4.490 1.00 0.00 H new ATOM 690 N TRP A 47 -9.386 -4.454 -4.735 1.00 0.00 N ATOM 691 CA TRP A 47 -8.323 -4.697 -5.750 1.00 0.00 C ATOM 692 C TRP A 47 -7.426 -5.854 -5.310 1.00 0.00 C ATOM 693 O TRP A 47 -7.095 -6.725 -6.089 1.00 0.00 O ATOM 694 CB TRP A 47 -7.470 -3.438 -5.907 1.00 0.00 C ATOM 695 CG TRP A 47 -6.190 -3.794 -6.592 1.00 0.00 C ATOM 696 CD1 TRP A 47 -6.070 -4.115 -7.900 1.00 0.00 C ATOM 697 CD2 TRP A 47 -4.849 -3.873 -6.026 1.00 0.00 C ATOM 698 NE1 TRP A 47 -4.742 -4.388 -8.173 1.00 0.00 N ATOM 699 CE2 TRP A 47 -3.950 -4.250 -7.051 1.00 0.00 C ATOM 700 CE3 TRP A 47 -4.333 -3.656 -4.737 1.00 0.00 C ATOM 701 CZ2 TRP A 47 -2.586 -4.407 -6.804 1.00 0.00 C ATOM 702 CZ3 TRP A 47 -2.960 -3.812 -4.485 1.00 0.00 C ATOM 703 CH2 TRP A 47 -2.088 -4.187 -5.516 1.00 0.00 C ATOM 0 H TRP A 47 -9.252 -3.625 -4.156 1.00 0.00 H new ATOM 0 HA TRP A 47 -8.795 -4.949 -6.699 1.00 0.00 H new ATOM 0 HB2 TRP A 47 -8.010 -2.688 -6.486 1.00 0.00 H new ATOM 0 HB3 TRP A 47 -7.264 -3.000 -4.931 1.00 0.00 H new ATOM 0 HD1 TRP A 47 -6.879 -4.152 -8.615 1.00 0.00 H new ATOM 0 HE1 TRP A 47 -4.391 -4.658 -9.092 1.00 0.00 H new ATOM 0 HE3 TRP A 47 -4.996 -3.367 -3.935 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 -1.919 -4.697 -7.602 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 -2.574 -3.642 -3.491 1.00 0.00 H new ATOM 0 HH2 TRP A 47 -1.033 -4.306 -5.316 1.00 0.00 H new ATOM 714 N LEU A 48 -7.015 -5.858 -4.074 1.00 0.00 N ATOM 715 CA LEU A 48 -6.119 -6.944 -3.595 1.00 0.00 C ATOM 716 C LEU A 48 -6.783 -8.303 -3.811 1.00 0.00 C ATOM 717 O LEU A 48 -6.165 -9.237 -4.283 1.00 0.00 O ATOM 718 CB LEU A 48 -5.845 -6.747 -2.105 1.00 0.00 C ATOM 719 CG LEU A 48 -4.758 -7.711 -1.649 1.00 0.00 C ATOM 720 CD1 LEU A 48 -3.395 -7.097 -1.943 1.00 0.00 C ATOM 721 CD2 LEU A 48 -4.896 -7.961 -0.146 1.00 0.00 C ATOM 0 H LEU A 48 -7.261 -5.157 -3.375 1.00 0.00 H new ATOM 0 HA LEU A 48 -5.183 -6.911 -4.153 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -5.535 -5.719 -1.916 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -6.757 -6.916 -1.533 1.00 0.00 H new ATOM 0 HG LEU A 48 -4.856 -8.658 -2.180 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -2.610 -7.781 -1.619 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -3.300 -6.917 -3.014 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -3.298 -6.153 -1.406 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -4.118 -8.651 0.181 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -4.793 -7.018 0.391 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -5.875 -8.393 0.063 1.00 0.00 H new ATOM 733 N GLU A 49 -8.035 -8.427 -3.472 1.00 0.00 N ATOM 734 CA GLU A 49 -8.724 -9.728 -3.664 1.00 0.00 C ATOM 735 C GLU A 49 -8.943 -9.961 -5.159 1.00 0.00 C ATOM 736 O GLU A 49 -8.858 -11.068 -5.646 1.00 0.00 O ATOM 737 CB GLU A 49 -10.069 -9.702 -2.927 1.00 0.00 C ATOM 738 CG GLU A 49 -11.161 -9.160 -3.843 1.00 0.00 C ATOM 739 CD GLU A 49 -12.425 -8.891 -3.026 1.00 0.00 C ATOM 740 OE1 GLU A 49 -12.427 -9.218 -1.850 1.00 0.00 O ATOM 741 OE2 GLU A 49 -13.371 -8.363 -3.588 1.00 0.00 O ATOM 0 H GLU A 49 -8.608 -7.684 -3.071 1.00 0.00 H new ATOM 0 HA GLU A 49 -8.116 -10.538 -3.261 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -10.329 -10.707 -2.594 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -9.991 -9.081 -2.035 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -10.824 -8.242 -4.324 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -11.374 -9.876 -4.636 1.00 0.00 H new ATOM 748 N ASP A 50 -9.226 -8.920 -5.889 1.00 0.00 N ATOM 749 CA ASP A 50 -9.456 -9.067 -7.353 1.00 0.00 C ATOM 750 C ASP A 50 -8.178 -9.530 -8.056 1.00 0.00 C ATOM 751 O ASP A 50 -8.213 -10.354 -8.948 1.00 0.00 O ATOM 752 CB ASP A 50 -9.879 -7.718 -7.928 1.00 0.00 C ATOM 753 CG ASP A 50 -10.276 -7.886 -9.395 1.00 0.00 C ATOM 754 OD1 ASP A 50 -10.304 -9.017 -9.854 1.00 0.00 O ATOM 755 OD2 ASP A 50 -10.545 -6.883 -10.034 1.00 0.00 O ATOM 0 H ASP A 50 -9.308 -7.968 -5.533 1.00 0.00 H new ATOM 0 HA ASP A 50 -10.236 -9.811 -7.514 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -10.716 -7.315 -7.358 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -9.061 -7.002 -7.842 1.00 0.00 H new ATOM 760 N ARG A 51 -7.053 -8.991 -7.679 1.00 0.00 N ATOM 761 CA ARG A 51 -5.777 -9.380 -8.346 1.00 0.00 C ATOM 762 C ARG A 51 -5.206 -10.662 -7.731 1.00 0.00 C ATOM 763 O ARG A 51 -4.870 -11.596 -8.429 1.00 0.00 O ATOM 764 CB ARG A 51 -4.763 -8.244 -8.189 1.00 0.00 C ATOM 765 CG ARG A 51 -3.503 -8.568 -8.993 1.00 0.00 C ATOM 766 CD ARG A 51 -2.489 -7.433 -8.831 1.00 0.00 C ATOM 767 NE ARG A 51 -1.305 -7.699 -9.698 1.00 0.00 N ATOM 768 CZ ARG A 51 -0.580 -6.707 -10.141 1.00 0.00 C ATOM 769 NH1 ARG A 51 0.453 -6.944 -10.901 1.00 0.00 N ATOM 770 NH2 ARG A 51 -0.887 -5.479 -9.823 1.00 0.00 N ATOM 0 H ARG A 51 -6.960 -8.297 -6.937 1.00 0.00 H new ATOM 0 HA ARG A 51 -5.976 -9.565 -9.402 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -5.196 -7.306 -8.535 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -4.511 -8.110 -7.137 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -3.071 -9.508 -8.649 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -3.754 -8.699 -10.046 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -2.946 -6.481 -9.102 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -2.180 -7.353 -7.789 1.00 0.00 H new ATOM 0 HE ARG A 51 -1.061 -8.658 -9.946 1.00 0.00 H new ATOM 0 HH11 ARG A 51 0.694 -7.904 -11.149 1.00 0.00 H new ATOM 0 HH12 ARG A 51 1.020 -6.170 -11.247 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -1.694 -5.293 -9.228 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -0.320 -4.705 -10.170 1.00 0.00 H new ATOM 784 N PHE A 52 -5.070 -10.708 -6.433 1.00 0.00 N ATOM 785 CA PHE A 52 -4.493 -11.920 -5.789 1.00 0.00 C ATOM 786 C PHE A 52 -5.547 -13.025 -5.664 1.00 0.00 C ATOM 787 O PHE A 52 -5.220 -14.192 -5.585 1.00 0.00 O ATOM 788 CB PHE A 52 -3.973 -11.547 -4.403 1.00 0.00 C ATOM 789 CG PHE A 52 -2.773 -10.641 -4.547 1.00 0.00 C ATOM 790 CD1 PHE A 52 -2.926 -9.254 -4.441 1.00 0.00 C ATOM 791 CD2 PHE A 52 -1.508 -11.189 -4.791 1.00 0.00 C ATOM 792 CE1 PHE A 52 -1.813 -8.414 -4.578 1.00 0.00 C ATOM 793 CE2 PHE A 52 -0.397 -10.350 -4.929 1.00 0.00 C ATOM 794 CZ PHE A 52 -0.549 -8.963 -4.822 1.00 0.00 C ATOM 0 H PHE A 52 -5.334 -9.959 -5.793 1.00 0.00 H new ATOM 0 HA PHE A 52 -3.677 -12.294 -6.407 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -4.755 -11.046 -3.831 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -3.700 -12.446 -3.850 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -3.902 -8.831 -4.254 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -1.390 -12.259 -4.873 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -1.930 -7.344 -4.495 1.00 0.00 H new ATOM 0 HE2 PHE A 52 0.579 -10.773 -5.118 1.00 0.00 H new ATOM 0 HZ PHE A 52 0.309 -8.316 -4.928 1.00 0.00 H new ATOM 804 N GLY A 53 -6.804 -12.679 -5.636 1.00 0.00 N ATOM 805 CA GLY A 53 -7.852 -13.733 -5.508 1.00 0.00 C ATOM 806 C GLY A 53 -7.904 -14.219 -4.058 1.00 0.00 C ATOM 807 O GLY A 53 -8.196 -15.366 -3.787 1.00 0.00 O ATOM 0 H GLY A 53 -7.150 -11.721 -5.696 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -8.822 -13.336 -5.806 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -7.630 -14.566 -6.175 1.00 0.00 H new ATOM 811 N ILE A 54 -7.611 -13.353 -3.124 1.00 0.00 N ATOM 812 CA ILE A 54 -7.632 -13.761 -1.690 1.00 0.00 C ATOM 813 C ILE A 54 -8.821 -13.103 -0.987 1.00 0.00 C ATOM 814 O ILE A 54 -9.074 -11.926 -1.143 1.00 0.00 O ATOM 815 CB ILE A 54 -6.338 -13.294 -1.025 1.00 0.00 C ATOM 816 CG1 ILE A 54 -5.140 -13.843 -1.800 1.00 0.00 C ATOM 817 CG2 ILE A 54 -6.290 -13.808 0.415 1.00 0.00 C ATOM 818 CD1 ILE A 54 -3.878 -13.093 -1.377 1.00 0.00 C ATOM 0 H ILE A 54 -7.358 -12.380 -3.293 1.00 0.00 H new ATOM 0 HA ILE A 54 -7.722 -14.845 -1.618 1.00 0.00 H new ATOM 0 HB ILE A 54 -6.303 -12.205 -1.024 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -5.025 -14.910 -1.607 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -5.303 -13.729 -2.872 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -5.367 -13.475 0.890 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -7.144 -13.418 0.969 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -6.325 -14.897 0.414 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -3.022 -13.482 -1.928 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -3.996 -12.031 -1.593 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -3.714 -13.230 -0.308 1.00 0.00 H new ATOM 830 N ALA A 55 -9.553 -13.854 -0.209 1.00 0.00 N ATOM 831 CA ALA A 55 -10.721 -13.267 0.505 1.00 0.00 C ATOM 832 C ALA A 55 -10.233 -12.188 1.474 1.00 0.00 C ATOM 833 O ALA A 55 -9.187 -12.313 2.079 1.00 0.00 O ATOM 834 CB ALA A 55 -11.447 -14.364 1.287 1.00 0.00 C ATOM 0 H ALA A 55 -9.392 -14.847 -0.038 1.00 0.00 H new ATOM 0 HA ALA A 55 -11.406 -12.825 -0.219 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -12.302 -13.934 1.809 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -11.793 -15.134 0.598 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -10.764 -14.807 2.012 1.00 0.00 H new ATOM 840 N ALA A 56 -10.981 -11.130 1.625 1.00 0.00 N ATOM 841 CA ALA A 56 -10.555 -10.044 2.553 1.00 0.00 C ATOM 842 C ALA A 56 -10.498 -10.586 3.984 1.00 0.00 C ATOM 843 O ALA A 56 -9.698 -10.157 4.790 1.00 0.00 O ATOM 844 CB ALA A 56 -11.557 -8.891 2.484 1.00 0.00 C ATOM 0 H ALA A 56 -11.868 -10.970 1.147 1.00 0.00 H new ATOM 0 HA ALA A 56 -9.568 -9.685 2.262 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -11.245 -8.097 3.163 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -11.596 -8.504 1.466 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -12.545 -9.249 2.774 1.00 0.00 H new ATOM 924 N SER A 62 -7.397 -3.408 10.566 1.00 0.00 N ATOM 925 CA SER A 62 -6.933 -2.603 11.733 1.00 0.00 C ATOM 926 C SER A 62 -6.126 -1.392 11.238 1.00 0.00 C ATOM 927 O SER A 62 -5.430 -1.474 10.246 1.00 0.00 O ATOM 928 CB SER A 62 -6.048 -3.471 12.628 1.00 0.00 C ATOM 929 OG SER A 62 -4.779 -2.847 12.780 1.00 0.00 O ATOM 0 HA SER A 62 -7.797 -2.255 12.299 1.00 0.00 H new ATOM 0 HB2 SER A 62 -6.518 -3.607 13.602 1.00 0.00 H new ATOM 0 HB3 SER A 62 -5.929 -4.462 12.190 1.00 0.00 H new ATOM 0 HG SER A 62 -4.209 -3.400 13.354 1.00 0.00 H new ATOM 935 N PRO A 63 -6.218 -0.275 11.922 1.00 0.00 N ATOM 936 CA PRO A 63 -5.479 0.966 11.536 1.00 0.00 C ATOM 937 C PRO A 63 -3.960 0.780 11.597 1.00 0.00 C ATOM 938 O PRO A 63 -3.214 1.443 10.903 1.00 0.00 O ATOM 939 CB PRO A 63 -5.932 2.013 12.560 1.00 0.00 C ATOM 940 CG PRO A 63 -6.498 1.244 13.706 1.00 0.00 C ATOM 941 CD PRO A 63 -7.023 -0.070 13.135 1.00 0.00 C ATOM 0 HA PRO A 63 -5.694 1.252 10.507 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -5.095 2.633 12.881 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -6.678 2.682 12.131 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -5.736 1.060 14.463 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -7.299 1.803 14.190 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -6.898 -0.891 13.841 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -8.086 -0.008 12.903 1.00 0.00 H new ATOM 949 N GLU A 64 -3.499 -0.115 12.426 1.00 0.00 N ATOM 950 CA GLU A 64 -2.030 -0.347 12.541 1.00 0.00 C ATOM 951 C GLU A 64 -1.461 -0.728 11.174 1.00 0.00 C ATOM 952 O GLU A 64 -0.303 -0.501 10.887 1.00 0.00 O ATOM 953 CB GLU A 64 -1.770 -1.478 13.534 1.00 0.00 C ATOM 954 CG GLU A 64 -0.270 -1.624 13.762 1.00 0.00 C ATOM 955 CD GLU A 64 -0.005 -2.823 14.673 1.00 0.00 C ATOM 956 OE1 GLU A 64 -0.962 -3.478 15.052 1.00 0.00 O ATOM 957 OE2 GLU A 64 1.151 -3.067 14.977 1.00 0.00 O ATOM 0 H GLU A 64 -4.077 -0.698 13.031 1.00 0.00 H new ATOM 0 HA GLU A 64 -1.546 0.565 12.892 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -2.273 -1.269 14.478 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -2.183 -2.412 13.153 1.00 0.00 H new ATOM 0 HG2 GLU A 64 0.242 -1.758 12.809 1.00 0.00 H new ATOM 0 HG3 GLU A 64 0.130 -0.716 14.213 1.00 0.00 H new ATOM 964 N HIS A 65 -2.265 -1.314 10.331 1.00 0.00 N ATOM 965 CA HIS A 65 -1.772 -1.720 8.986 1.00 0.00 C ATOM 966 C HIS A 65 -1.445 -0.478 8.153 1.00 0.00 C ATOM 967 O HIS A 65 -0.620 -0.519 7.262 1.00 0.00 O ATOM 968 CB HIS A 65 -2.859 -2.533 8.279 1.00 0.00 C ATOM 969 CG HIS A 65 -2.355 -2.998 6.940 1.00 0.00 C ATOM 970 ND1 HIS A 65 -1.412 -4.008 6.813 1.00 0.00 N ATOM 971 CD2 HIS A 65 -2.658 -2.603 5.660 1.00 0.00 C ATOM 972 CE1 HIS A 65 -1.184 -4.186 5.498 1.00 0.00 C ATOM 973 NE2 HIS A 65 -1.918 -3.354 4.756 1.00 0.00 N ATOM 0 H HIS A 65 -3.245 -1.530 10.516 1.00 0.00 H new ATOM 0 HA HIS A 65 -0.870 -2.322 9.098 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -3.140 -3.391 8.890 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -3.755 -1.926 8.150 1.00 0.00 H new ATOM 0 HD1 HIS A 65 -0.972 -4.522 7.576 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -3.363 -1.828 5.397 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -0.493 -4.911 5.094 1.00 0.00 H new ATOM 982 N PHE A 66 -2.087 0.625 8.425 1.00 0.00 N ATOM 983 CA PHE A 66 -1.813 1.859 7.634 1.00 0.00 C ATOM 984 C PHE A 66 -0.892 2.800 8.416 1.00 0.00 C ATOM 985 O PHE A 66 -0.616 3.900 7.986 1.00 0.00 O ATOM 986 CB PHE A 66 -3.130 2.575 7.339 1.00 0.00 C ATOM 987 CG PHE A 66 -3.995 1.696 6.472 1.00 0.00 C ATOM 988 CD1 PHE A 66 -4.956 0.864 7.058 1.00 0.00 C ATOM 989 CD2 PHE A 66 -3.835 1.710 5.082 1.00 0.00 C ATOM 990 CE1 PHE A 66 -5.758 0.047 6.254 1.00 0.00 C ATOM 991 CE2 PHE A 66 -4.636 0.893 4.277 1.00 0.00 C ATOM 992 CZ PHE A 66 -5.597 0.061 4.863 1.00 0.00 C ATOM 0 H PHE A 66 -2.788 0.726 9.159 1.00 0.00 H new ATOM 0 HA PHE A 66 -1.324 1.578 6.701 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -3.647 2.807 8.270 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -2.937 3.523 6.837 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -5.078 0.853 8.131 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -3.093 2.352 4.630 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -6.501 -0.594 6.706 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -4.513 0.904 3.204 1.00 0.00 H new ATOM 0 HZ PHE A 66 -6.215 -0.571 4.242 1.00 0.00 H new ATOM 1002 N ARG A 67 -0.422 2.392 9.561 1.00 0.00 N ATOM 1003 CA ARG A 67 0.469 3.291 10.348 1.00 0.00 C ATOM 1004 C ARG A 67 1.707 3.652 9.520 1.00 0.00 C ATOM 1005 O ARG A 67 2.158 4.780 9.527 1.00 0.00 O ATOM 1006 CB ARG A 67 0.892 2.589 11.645 1.00 0.00 C ATOM 1007 CG ARG A 67 1.812 3.493 12.479 1.00 0.00 C ATOM 1008 CD ARG A 67 1.023 4.678 13.050 1.00 0.00 C ATOM 1009 NE ARG A 67 1.855 5.381 14.065 1.00 0.00 N ATOM 1010 CZ ARG A 67 1.876 4.957 15.300 1.00 0.00 C ATOM 1011 NH1 ARG A 67 2.603 5.574 16.190 1.00 0.00 N ATOM 1012 NH2 ARG A 67 1.169 3.916 15.643 1.00 0.00 N ATOM 0 H ARG A 67 -0.613 1.484 9.984 1.00 0.00 H new ATOM 0 HA ARG A 67 -0.070 4.206 10.595 1.00 0.00 H new ATOM 0 HB2 ARG A 67 0.008 2.326 12.227 1.00 0.00 H new ATOM 0 HB3 ARG A 67 1.407 1.658 11.409 1.00 0.00 H new ATOM 0 HG2 ARG A 67 2.257 2.919 13.292 1.00 0.00 H new ATOM 0 HG3 ARG A 67 2.632 3.858 11.860 1.00 0.00 H new ATOM 0 HD2 ARG A 67 0.747 5.365 12.250 1.00 0.00 H new ATOM 0 HD3 ARG A 67 0.096 4.328 13.503 1.00 0.00 H new ATOM 0 HE ARG A 67 2.409 6.194 13.796 1.00 0.00 H new ATOM 0 HH11 ARG A 67 3.156 6.388 15.922 1.00 0.00 H new ATOM 0 HH12 ARG A 67 2.619 5.242 17.154 1.00 0.00 H new ATOM 0 HH21 ARG A 67 0.600 3.434 14.947 1.00 0.00 H new ATOM 0 HH22 ARG A 67 1.185 3.584 16.607 1.00 0.00 H new ATOM 1026 N SER A 68 2.266 2.710 8.807 1.00 0.00 N ATOM 1027 CA SER A 68 3.474 3.021 7.989 1.00 0.00 C ATOM 1028 C SER A 68 3.516 2.119 6.752 1.00 0.00 C ATOM 1029 O SER A 68 2.968 1.035 6.742 1.00 0.00 O ATOM 1030 CB SER A 68 4.730 2.786 8.830 1.00 0.00 C ATOM 1031 OG SER A 68 4.883 1.393 9.065 1.00 0.00 O ATOM 0 H SER A 68 1.941 1.745 8.756 1.00 0.00 H new ATOM 0 HA SER A 68 3.432 4.063 7.671 1.00 0.00 H new ATOM 0 HB2 SER A 68 5.606 3.178 8.313 1.00 0.00 H new ATOM 0 HB3 SER A 68 4.653 3.320 9.777 1.00 0.00 H new ATOM 0 HG SER A 68 5.688 1.238 9.603 1.00 0.00 H new ATOM 1037 N ILE A 69 4.171 2.560 5.709 1.00 0.00 N ATOM 1038 CA ILE A 69 4.260 1.736 4.475 1.00 0.00 C ATOM 1039 C ILE A 69 5.058 0.460 4.758 1.00 0.00 C ATOM 1040 O ILE A 69 4.759 -0.598 4.242 1.00 0.00 O ATOM 1041 CB ILE A 69 4.973 2.543 3.391 1.00 0.00 C ATOM 1042 CG1 ILE A 69 4.189 3.814 3.092 1.00 0.00 C ATOM 1043 CG2 ILE A 69 5.064 1.714 2.123 1.00 0.00 C ATOM 1044 CD1 ILE A 69 4.989 4.697 2.133 1.00 0.00 C ATOM 0 H ILE A 69 4.649 3.460 5.663 1.00 0.00 H new ATOM 0 HA ILE A 69 3.257 1.467 4.145 1.00 0.00 H new ATOM 0 HB ILE A 69 5.972 2.803 3.741 1.00 0.00 H new ATOM 0 HG12 ILE A 69 3.224 3.563 2.652 1.00 0.00 H new ATOM 0 HG13 ILE A 69 3.987 4.354 4.017 1.00 0.00 H new ATOM 0 HG21 ILE A 69 5.572 2.288 1.349 1.00 0.00 H new ATOM 0 HG22 ILE A 69 5.624 0.801 2.325 1.00 0.00 H new ATOM 0 HG23 ILE A 69 4.061 1.456 1.784 1.00 0.00 H new ATOM 0 HD11 ILE A 69 4.426 5.606 1.920 1.00 0.00 H new ATOM 0 HD12 ILE A 69 5.943 4.959 2.590 1.00 0.00 H new ATOM 0 HD13 ILE A 69 5.169 4.156 1.204 1.00 0.00 H new ATOM 1056 N ARG A 70 6.080 0.556 5.565 1.00 0.00 N ATOM 1057 CA ARG A 70 6.909 -0.644 5.869 1.00 0.00 C ATOM 1058 C ARG A 70 6.052 -1.722 6.535 1.00 0.00 C ATOM 1059 O ARG A 70 6.188 -2.896 6.252 1.00 0.00 O ATOM 1060 CB ARG A 70 8.048 -0.248 6.812 1.00 0.00 C ATOM 1061 CG ARG A 70 8.965 -1.450 7.038 1.00 0.00 C ATOM 1062 CD ARG A 70 10.126 -1.043 7.947 1.00 0.00 C ATOM 1063 NE ARG A 70 9.613 -0.781 9.320 1.00 0.00 N ATOM 1064 CZ ARG A 70 10.447 -0.523 10.291 1.00 0.00 C ATOM 1065 NH1 ARG A 70 9.997 -0.293 11.493 1.00 0.00 N ATOM 1066 NH2 ARG A 70 11.730 -0.494 10.058 1.00 0.00 N ATOM 0 H ARG A 70 6.376 1.416 6.027 1.00 0.00 H new ATOM 0 HA ARG A 70 7.318 -1.039 4.939 1.00 0.00 H new ATOM 0 HB2 ARG A 70 8.615 0.580 6.387 1.00 0.00 H new ATOM 0 HB3 ARG A 70 7.643 0.098 7.763 1.00 0.00 H new ATOM 0 HG2 ARG A 70 8.405 -2.268 7.490 1.00 0.00 H new ATOM 0 HG3 ARG A 70 9.347 -1.814 6.084 1.00 0.00 H new ATOM 0 HD2 ARG A 70 10.876 -1.833 7.972 1.00 0.00 H new ATOM 0 HD3 ARG A 70 10.615 -0.152 7.554 1.00 0.00 H new ATOM 0 HE ARG A 70 8.610 -0.803 9.502 1.00 0.00 H new ATOM 0 HH11 ARG A 70 8.994 -0.315 11.675 1.00 0.00 H new ATOM 0 HH12 ARG A 70 10.648 -0.091 12.252 1.00 0.00 H new ATOM 0 HH21 ARG A 70 12.082 -0.673 9.117 1.00 0.00 H new ATOM 0 HH22 ARG A 70 12.382 -0.292 10.816 1.00 0.00 H new ATOM 1080 N SER A 71 5.174 -1.342 7.422 1.00 0.00 N ATOM 1081 CA SER A 71 4.323 -2.355 8.100 1.00 0.00 C ATOM 1082 C SER A 71 3.501 -3.118 7.059 1.00 0.00 C ATOM 1083 O SER A 71 3.348 -4.321 7.136 1.00 0.00 O ATOM 1084 CB SER A 71 3.385 -1.647 9.076 1.00 0.00 C ATOM 1085 OG SER A 71 4.148 -0.833 9.955 1.00 0.00 O ATOM 0 H SER A 71 5.011 -0.376 7.705 1.00 0.00 H new ATOM 0 HA SER A 71 4.954 -3.059 8.642 1.00 0.00 H new ATOM 0 HB2 SER A 71 2.666 -1.037 8.529 1.00 0.00 H new ATOM 0 HB3 SER A 71 2.813 -2.380 9.645 1.00 0.00 H new ATOM 0 HG SER A 71 4.111 0.099 9.653 1.00 0.00 H new ATOM 1091 N ILE A 72 2.969 -2.429 6.088 1.00 0.00 N ATOM 1092 CA ILE A 72 2.160 -3.109 5.045 1.00 0.00 C ATOM 1093 C ILE A 72 3.054 -4.016 4.198 1.00 0.00 C ATOM 1094 O ILE A 72 2.673 -5.107 3.824 1.00 0.00 O ATOM 1095 CB ILE A 72 1.515 -2.052 4.153 1.00 0.00 C ATOM 1096 CG1 ILE A 72 0.606 -1.156 4.995 1.00 0.00 C ATOM 1097 CG2 ILE A 72 0.690 -2.740 3.071 1.00 0.00 C ATOM 1098 CD1 ILE A 72 0.087 -0.001 4.137 1.00 0.00 C ATOM 0 H ILE A 72 3.062 -1.420 5.974 1.00 0.00 H new ATOM 0 HA ILE A 72 1.390 -3.717 5.520 1.00 0.00 H new ATOM 0 HB ILE A 72 2.292 -1.444 3.689 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -0.230 -1.735 5.387 1.00 0.00 H new ATOM 0 HG13 ILE A 72 1.155 -0.767 5.853 1.00 0.00 H new ATOM 0 HG21 ILE A 72 0.228 -1.987 2.432 1.00 0.00 H new ATOM 0 HG22 ILE A 72 1.338 -3.378 2.470 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -0.086 -3.347 3.536 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -0.561 0.637 4.739 1.00 0.00 H new ATOM 0 HD12 ILE A 72 0.929 0.584 3.766 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -0.478 -0.399 3.294 1.00 0.00 H new ATOM 1110 N ASP A 73 4.238 -3.568 3.882 1.00 0.00 N ATOM 1111 CA ASP A 73 5.152 -4.399 3.047 1.00 0.00 C ATOM 1112 C ASP A 73 5.431 -5.735 3.739 1.00 0.00 C ATOM 1113 O ASP A 73 5.478 -6.770 3.106 1.00 0.00 O ATOM 1114 CB ASP A 73 6.470 -3.654 2.839 1.00 0.00 C ATOM 1115 CG ASP A 73 7.310 -4.394 1.796 1.00 0.00 C ATOM 1116 OD1 ASP A 73 6.788 -5.313 1.188 1.00 0.00 O ATOM 1117 OD2 ASP A 73 8.459 -4.030 1.626 1.00 0.00 O ATOM 0 H ASP A 73 4.612 -2.663 4.166 1.00 0.00 H new ATOM 0 HA ASP A 73 4.677 -4.588 2.084 1.00 0.00 H new ATOM 0 HB2 ASP A 73 6.276 -2.633 2.509 1.00 0.00 H new ATOM 0 HB3 ASP A 73 7.015 -3.586 3.780 1.00 0.00 H new ATOM 1122 N ALA A 74 5.625 -5.724 5.028 1.00 0.00 N ATOM 1123 CA ALA A 74 5.909 -7.001 5.740 1.00 0.00 C ATOM 1124 C ALA A 74 4.705 -7.932 5.621 1.00 0.00 C ATOM 1125 O ALA A 74 4.844 -9.116 5.383 1.00 0.00 O ATOM 1126 CB ALA A 74 6.188 -6.713 7.217 1.00 0.00 C ATOM 0 H ALA A 74 5.600 -4.891 5.617 1.00 0.00 H new ATOM 0 HA ALA A 74 6.781 -7.478 5.292 1.00 0.00 H new ATOM 0 HB1 ALA A 74 6.396 -7.648 7.737 1.00 0.00 H new ATOM 0 HB2 ALA A 74 7.050 -6.051 7.302 1.00 0.00 H new ATOM 0 HB3 ALA A 74 5.317 -6.234 7.665 1.00 0.00 H new ATOM 1132 N PHE A 75 3.523 -7.409 5.779 1.00 0.00 N ATOM 1133 CA PHE A 75 2.313 -8.268 5.668 1.00 0.00 C ATOM 1134 C PHE A 75 2.212 -8.819 4.245 1.00 0.00 C ATOM 1135 O PHE A 75 1.953 -9.988 4.037 1.00 0.00 O ATOM 1136 CB PHE A 75 1.069 -7.441 5.984 1.00 0.00 C ATOM 1137 CG PHE A 75 -0.139 -8.347 6.007 1.00 0.00 C ATOM 1138 CD1 PHE A 75 -0.926 -8.493 4.859 1.00 0.00 C ATOM 1139 CD2 PHE A 75 -0.468 -9.043 7.177 1.00 0.00 C ATOM 1140 CE1 PHE A 75 -2.044 -9.336 4.880 1.00 0.00 C ATOM 1141 CE2 PHE A 75 -1.586 -9.885 7.198 1.00 0.00 C ATOM 1142 CZ PHE A 75 -2.373 -10.032 6.050 1.00 0.00 C ATOM 0 H PHE A 75 3.342 -6.425 5.980 1.00 0.00 H new ATOM 0 HA PHE A 75 2.387 -9.094 6.375 1.00 0.00 H new ATOM 0 HB2 PHE A 75 1.184 -6.944 6.947 1.00 0.00 H new ATOM 0 HB3 PHE A 75 0.938 -6.660 5.236 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -0.671 -7.956 3.957 1.00 0.00 H new ATOM 0 HD2 PHE A 75 0.140 -8.930 8.062 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -2.652 -9.449 3.995 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -1.841 -10.421 8.100 1.00 0.00 H new ATOM 0 HZ PHE A 75 -3.235 -10.683 6.066 1.00 0.00 H new ATOM 1152 N VAL A 76 2.410 -7.982 3.263 1.00 0.00 N ATOM 1153 CA VAL A 76 2.322 -8.447 1.857 1.00 0.00 C ATOM 1154 C VAL A 76 3.417 -9.480 1.580 1.00 0.00 C ATOM 1155 O VAL A 76 3.170 -10.511 0.990 1.00 0.00 O ATOM 1156 CB VAL A 76 2.502 -7.248 0.929 1.00 0.00 C ATOM 1157 CG1 VAL A 76 2.647 -7.737 -0.508 1.00 0.00 C ATOM 1158 CG2 VAL A 76 1.277 -6.335 1.033 1.00 0.00 C ATOM 0 H VAL A 76 2.630 -6.993 3.379 1.00 0.00 H new ATOM 0 HA VAL A 76 1.350 -8.909 1.684 1.00 0.00 H new ATOM 0 HB VAL A 76 3.395 -6.695 1.219 1.00 0.00 H new ATOM 0 HG11 VAL A 76 2.776 -6.882 -1.172 1.00 0.00 H new ATOM 0 HG12 VAL A 76 3.517 -8.390 -0.584 1.00 0.00 H new ATOM 0 HG13 VAL A 76 1.753 -8.289 -0.796 1.00 0.00 H new ATOM 0 HG21 VAL A 76 1.404 -5.479 0.371 1.00 0.00 H new ATOM 0 HG22 VAL A 76 0.385 -6.889 0.742 1.00 0.00 H new ATOM 0 HG23 VAL A 76 1.169 -5.987 2.060 1.00 0.00 H new ATOM 1168 N VAL A 77 4.625 -9.217 2.004 1.00 0.00 N ATOM 1169 CA VAL A 77 5.725 -10.185 1.761 1.00 0.00 C ATOM 1170 C VAL A 77 5.399 -11.515 2.442 1.00 0.00 C ATOM 1171 O VAL A 77 5.647 -12.577 1.907 1.00 0.00 O ATOM 1172 CB VAL A 77 7.025 -9.620 2.335 1.00 0.00 C ATOM 1173 CG1 VAL A 77 8.068 -10.729 2.411 1.00 0.00 C ATOM 1174 CG2 VAL A 77 7.542 -8.501 1.428 1.00 0.00 C ATOM 0 H VAL A 77 4.894 -8.372 2.508 1.00 0.00 H new ATOM 0 HA VAL A 77 5.838 -10.350 0.689 1.00 0.00 H new ATOM 0 HB VAL A 77 6.838 -9.223 3.333 1.00 0.00 H new ATOM 0 HG11 VAL A 77 8.996 -10.329 2.820 1.00 0.00 H new ATOM 0 HG12 VAL A 77 7.703 -11.529 3.055 1.00 0.00 H new ATOM 0 HG13 VAL A 77 8.253 -11.124 1.412 1.00 0.00 H new ATOM 0 HG21 VAL A 77 8.468 -8.099 1.838 1.00 0.00 H new ATOM 0 HG22 VAL A 77 7.729 -8.898 0.430 1.00 0.00 H new ATOM 0 HG23 VAL A 77 6.797 -7.707 1.369 1.00 0.00 H new ATOM 1184 N GLY A 78 4.850 -11.464 3.623 1.00 0.00 N ATOM 1185 CA GLY A 78 4.513 -12.722 4.345 1.00 0.00 C ATOM 1186 C GLY A 78 3.564 -13.575 3.499 1.00 0.00 C ATOM 1187 O GLY A 78 3.591 -14.788 3.560 1.00 0.00 O ATOM 0 H GLY A 78 4.620 -10.604 4.120 1.00 0.00 H new ATOM 0 HA2 GLY A 78 5.423 -13.282 4.561 1.00 0.00 H new ATOM 0 HA3 GLY A 78 4.048 -12.488 5.303 1.00 0.00 H new ATOM 1191 N ALA A 79 2.715 -12.957 2.720 1.00 0.00 N ATOM 1192 CA ALA A 79 1.763 -13.748 1.890 1.00 0.00 C ATOM 1193 C ALA A 79 2.255 -13.827 0.443 1.00 0.00 C ATOM 1194 O ALA A 79 2.323 -14.890 -0.140 1.00 0.00 O ATOM 1195 CB ALA A 79 0.387 -13.080 1.921 1.00 0.00 C ATOM 0 H ALA A 79 2.641 -11.944 2.624 1.00 0.00 H new ATOM 0 HA ALA A 79 1.696 -14.757 2.296 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -0.311 -13.657 1.314 1.00 0.00 H new ATOM 0 HB2 ALA A 79 0.026 -13.038 2.949 1.00 0.00 H new ATOM 0 HB3 ALA A 79 0.464 -12.069 1.522 1.00 0.00 H new ATOM 1201 N THR A 80 2.594 -12.715 -0.142 1.00 0.00 N ATOM 1202 CA THR A 80 3.076 -12.735 -1.554 1.00 0.00 C ATOM 1203 C THR A 80 4.133 -11.649 -1.762 1.00 0.00 C ATOM 1204 O THR A 80 4.175 -10.664 -1.055 1.00 0.00 O ATOM 1205 CB THR A 80 1.893 -12.492 -2.496 1.00 0.00 C ATOM 1206 OG1 THR A 80 2.275 -12.810 -3.826 1.00 0.00 O ATOM 1207 CG2 THR A 80 1.467 -11.025 -2.419 1.00 0.00 C ATOM 0 H THR A 80 2.559 -11.793 0.293 1.00 0.00 H new ATOM 0 HA THR A 80 3.521 -13.706 -1.769 1.00 0.00 H new ATOM 0 HB THR A 80 1.056 -13.124 -2.198 1.00 0.00 H new ATOM 0 HG1 THR A 80 1.518 -12.656 -4.429 1.00 0.00 H new ATOM 0 HG21 THR A 80 0.625 -10.855 -3.090 1.00 0.00 H new ATOM 0 HG22 THR A 80 1.171 -10.785 -1.398 1.00 0.00 H new ATOM 0 HG23 THR A 80 2.301 -10.388 -2.714 1.00 0.00 H new ATOM 1215 N THR A 81 4.988 -11.822 -2.733 1.00 0.00 N ATOM 1216 CA THR A 81 6.042 -10.804 -2.994 1.00 0.00 C ATOM 1217 C THR A 81 6.094 -10.501 -4.498 1.00 0.00 C ATOM 1218 O THR A 81 6.837 -11.121 -5.232 1.00 0.00 O ATOM 1219 CB THR A 81 7.393 -11.355 -2.535 1.00 0.00 C ATOM 1220 OG1 THR A 81 8.439 -10.595 -3.126 1.00 0.00 O ATOM 1221 CG2 THR A 81 7.519 -12.819 -2.958 1.00 0.00 C ATOM 0 H THR A 81 5.001 -12.628 -3.358 1.00 0.00 H new ATOM 0 HA THR A 81 5.816 -9.888 -2.448 1.00 0.00 H new ATOM 0 HB THR A 81 7.464 -11.287 -1.449 1.00 0.00 H new ATOM 0 HG1 THR A 81 8.486 -10.794 -4.084 1.00 0.00 H new ATOM 0 HG21 THR A 81 8.482 -13.211 -2.631 1.00 0.00 H new ATOM 0 HG22 THR A 81 6.717 -13.400 -2.502 1.00 0.00 H new ATOM 0 HG23 THR A 81 7.448 -12.892 -4.043 1.00 0.00 H new