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 Single : A 2 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : A 3 HIS : no HE2:sc= -13.5! C(o=-13!,f=-13!) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 9 GLN :FLIP amide:sc= -0.0123 F(o=-2.3!,f=-0.012) USER MOD Single : A 33 ASN : amide:sc= 0 X(o=0,f=-0.29) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 65 HIS : no HE2:sc= -3.94! C(o=-3.9!,f=-10!) USER MOD Single : A 68 SER OG : rot -177:sc= -0.651 USER MOD Single : A 71 SER OG : rot -41:sc= 1.15 USER MOD Single : A 80 THR OG1 : rot 180:sc= -0.0574 USER MOD Single : A 81 THR OG1 : rot 180:sc= -0.0533 USER MOD ----------------------------------------------------------------- ATOM 20 N GLN A 2 10.864 -5.503 0.620 1.00 0.00 N ATOM 21 CA GLN A 2 11.208 -6.082 -0.710 1.00 0.00 C ATOM 22 C GLN A 2 10.217 -5.574 -1.760 1.00 0.00 C ATOM 23 O GLN A 2 10.576 -5.319 -2.893 1.00 0.00 O ATOM 24 CB GLN A 2 11.129 -7.609 -0.635 1.00 0.00 C ATOM 25 CG GLN A 2 12.174 -8.126 0.354 1.00 0.00 C ATOM 26 CD GLN A 2 12.078 -9.650 0.448 1.00 0.00 C ATOM 27 OE1 GLN A 2 11.100 -10.236 0.028 1.00 0.00 O ATOM 28 NE2 GLN A 2 13.061 -10.322 0.985 1.00 0.00 N ATOM 0 HA GLN A 2 12.218 -5.781 -0.987 1.00 0.00 H new ATOM 0 HB2 GLN A 2 10.132 -7.917 -0.321 1.00 0.00 H new ATOM 0 HB3 GLN A 2 11.300 -8.041 -1.621 1.00 0.00 H new ATOM 0 HG2 GLN A 2 13.173 -7.833 0.030 1.00 0.00 H new ATOM 0 HG3 GLN A 2 12.013 -7.680 1.335 1.00 0.00 H new ATOM 0 HE21 GLN A 2 13.882 -9.830 1.338 1.00 0.00 H new ATOM 0 HE22 GLN A 2 13.007 -11.338 1.052 1.00 0.00 H new ATOM 37 N HIS A 3 8.972 -5.430 -1.390 1.00 0.00 N ATOM 38 CA HIS A 3 7.948 -4.943 -2.359 1.00 0.00 C ATOM 39 C HIS A 3 7.398 -3.595 -1.886 1.00 0.00 C ATOM 40 O HIS A 3 6.434 -3.085 -2.421 1.00 0.00 O ATOM 41 CB HIS A 3 6.807 -5.961 -2.435 1.00 0.00 C ATOM 42 CG HIS A 3 5.894 -5.616 -3.581 1.00 0.00 C ATOM 43 ND1 HIS A 3 6.283 -5.762 -4.905 1.00 0.00 N ATOM 44 CD2 HIS A 3 4.606 -5.141 -3.617 1.00 0.00 C ATOM 45 CE1 HIS A 3 5.247 -5.382 -5.676 1.00 0.00 C ATOM 46 NE2 HIS A 3 4.203 -4.997 -4.940 1.00 0.00 N ATOM 0 H HIS A 3 8.619 -5.630 -0.454 1.00 0.00 H new ATOM 0 HA HIS A 3 8.401 -4.823 -3.343 1.00 0.00 H new ATOM 0 HB2 HIS A 3 7.211 -6.965 -2.569 1.00 0.00 H new ATOM 0 HB3 HIS A 3 6.247 -5.964 -1.500 1.00 0.00 H new ATOM 0 HD1 HIS A 3 7.189 -6.096 -5.234 1.00 0.00 H new ATOM 0 HD2 HIS A 3 4.000 -4.914 -2.752 1.00 0.00 H new ATOM 0 HE1 HIS A 3 5.259 -5.388 -6.756 1.00 0.00 H new ATOM 55 N ALA A 4 7.998 -3.019 -0.879 1.00 0.00 N ATOM 56 CA ALA A 4 7.504 -1.710 -0.362 1.00 0.00 C ATOM 57 C ALA A 4 7.588 -0.643 -1.457 1.00 0.00 C ATOM 58 O ALA A 4 6.748 0.231 -1.545 1.00 0.00 O ATOM 59 CB ALA A 4 8.363 -1.277 0.828 1.00 0.00 C ATOM 0 H ALA A 4 8.810 -3.399 -0.392 1.00 0.00 H new ATOM 0 HA ALA A 4 6.465 -1.822 -0.051 1.00 0.00 H new ATOM 0 HB1 ALA A 4 8.004 -0.320 1.207 1.00 0.00 H new ATOM 0 HB2 ALA A 4 8.298 -2.027 1.616 1.00 0.00 H new ATOM 0 HB3 ALA A 4 9.400 -1.174 0.510 1.00 0.00 H new ATOM 65 N SER A 5 8.593 -0.697 -2.288 1.00 0.00 N ATOM 66 CA SER A 5 8.716 0.329 -3.363 1.00 0.00 C ATOM 67 C SER A 5 7.468 0.293 -4.244 1.00 0.00 C ATOM 68 O SER A 5 6.948 1.316 -4.645 1.00 0.00 O ATOM 69 CB SER A 5 9.952 0.035 -4.212 1.00 0.00 C ATOM 70 OG SER A 5 11.093 -0.045 -3.368 1.00 0.00 O ATOM 0 H SER A 5 9.330 -1.402 -2.270 1.00 0.00 H new ATOM 0 HA SER A 5 8.815 1.317 -2.914 1.00 0.00 H new ATOM 0 HB2 SER A 5 9.820 -0.901 -4.755 1.00 0.00 H new ATOM 0 HB3 SER A 5 10.091 0.819 -4.957 1.00 0.00 H new ATOM 0 HG SER A 5 11.888 -0.235 -3.909 1.00 0.00 H new ATOM 76 N VAL A 6 6.976 -0.875 -4.538 1.00 0.00 N ATOM 77 CA VAL A 6 5.753 -0.980 -5.381 1.00 0.00 C ATOM 78 C VAL A 6 4.568 -0.398 -4.613 1.00 0.00 C ATOM 79 O VAL A 6 3.685 0.220 -5.174 1.00 0.00 O ATOM 80 CB VAL A 6 5.481 -2.446 -5.705 1.00 0.00 C ATOM 81 CG1 VAL A 6 4.136 -2.570 -6.425 1.00 0.00 C ATOM 82 CG2 VAL A 6 6.594 -2.983 -6.608 1.00 0.00 C ATOM 0 H VAL A 6 7.368 -1.765 -4.231 1.00 0.00 H new ATOM 0 HA VAL A 6 5.897 -0.428 -6.310 1.00 0.00 H new ATOM 0 HB VAL A 6 5.452 -3.023 -4.780 1.00 0.00 H new ATOM 0 HG11 VAL A 6 3.942 -3.617 -6.656 1.00 0.00 H new ATOM 0 HG12 VAL A 6 3.343 -2.187 -5.783 1.00 0.00 H new ATOM 0 HG13 VAL A 6 4.164 -1.994 -7.350 1.00 0.00 H new ATOM 0 HG21 VAL A 6 6.401 -4.030 -6.840 1.00 0.00 H new ATOM 0 HG22 VAL A 6 6.623 -2.406 -7.532 1.00 0.00 H new ATOM 0 HG23 VAL A 6 7.552 -2.896 -6.096 1.00 0.00 H new ATOM 92 N ILE A 7 4.540 -0.605 -3.328 1.00 0.00 N ATOM 93 CA ILE A 7 3.416 -0.077 -2.509 1.00 0.00 C ATOM 94 C ILE A 7 3.401 1.455 -2.551 1.00 0.00 C ATOM 95 O ILE A 7 2.362 2.069 -2.687 1.00 0.00 O ATOM 96 CB ILE A 7 3.592 -0.543 -1.064 1.00 0.00 C ATOM 97 CG1 ILE A 7 3.594 -2.073 -1.022 1.00 0.00 C ATOM 98 CG2 ILE A 7 2.441 -0.009 -0.210 1.00 0.00 C ATOM 99 CD1 ILE A 7 3.909 -2.549 0.399 1.00 0.00 C ATOM 0 H ILE A 7 5.250 -1.119 -2.807 1.00 0.00 H new ATOM 0 HA ILE A 7 2.474 -0.449 -2.911 1.00 0.00 H new ATOM 0 HB ILE A 7 4.537 -0.166 -0.672 1.00 0.00 H new ATOM 0 HG12 ILE A 7 2.624 -2.456 -1.338 1.00 0.00 H new ATOM 0 HG13 ILE A 7 4.334 -2.465 -1.720 1.00 0.00 H new ATOM 0 HG21 ILE A 7 2.567 -0.342 0.820 1.00 0.00 H new ATOM 0 HG22 ILE A 7 2.439 1.081 -0.242 1.00 0.00 H new ATOM 0 HG23 ILE A 7 1.495 -0.385 -0.599 1.00 0.00 H new ATOM 0 HD11 ILE A 7 3.910 -3.639 0.426 1.00 0.00 H new ATOM 0 HD12 ILE A 7 4.889 -2.178 0.698 1.00 0.00 H new ATOM 0 HD13 ILE A 7 3.152 -2.170 1.086 1.00 0.00 H new ATOM 111 N ALA A 8 4.541 2.077 -2.417 1.00 0.00 N ATOM 112 CA ALA A 8 4.579 3.570 -2.428 1.00 0.00 C ATOM 113 C ALA A 8 4.127 4.108 -3.787 1.00 0.00 C ATOM 114 O ALA A 8 3.274 4.969 -3.867 1.00 0.00 O ATOM 115 CB ALA A 8 6.005 4.047 -2.150 1.00 0.00 C ATOM 0 H ALA A 8 5.445 1.619 -2.301 1.00 0.00 H new ATOM 0 HA ALA A 8 3.904 3.941 -1.657 1.00 0.00 H new ATOM 0 HB1 ALA A 8 6.032 5.137 -2.158 1.00 0.00 H new ATOM 0 HB2 ALA A 8 6.327 3.683 -1.174 1.00 0.00 H new ATOM 0 HB3 ALA A 8 6.674 3.662 -2.919 1.00 0.00 H new ATOM 121 N GLN A 9 4.688 3.615 -4.854 1.00 0.00 N ATOM 122 CA GLN A 9 4.279 4.114 -6.197 1.00 0.00 C ATOM 123 C GLN A 9 2.862 3.636 -6.514 1.00 0.00 C ATOM 124 O GLN A 9 2.035 4.386 -6.988 1.00 0.00 O ATOM 125 CB GLN A 9 5.253 3.615 -7.269 1.00 0.00 C ATOM 126 CG GLN A 9 5.518 2.121 -7.082 1.00 0.00 C ATOM 127 CD GLN A 9 5.108 1.369 -8.348 1.00 0.00 C ATOM 128 OE1 GLN A 9 3.859 1.391 -8.729 1.00 0.00 O flip ATOM 129 NE2 GLN A 9 5.930 0.757 -9.000 1.00 0.00 N flip ATOM 0 H GLN A 9 5.408 2.892 -4.856 1.00 0.00 H new ATOM 0 HA GLN A 9 4.298 5.204 -6.191 1.00 0.00 H new ATOM 0 HB2 GLN A 9 4.839 3.798 -8.261 1.00 0.00 H new ATOM 0 HB3 GLN A 9 6.190 4.169 -7.207 1.00 0.00 H new ATOM 0 HG2 GLN A 9 6.574 1.952 -6.871 1.00 0.00 H new ATOM 0 HG3 GLN A 9 4.958 1.746 -6.226 1.00 0.00 H new ATOM 0 HE21 GLN A 9 6.906 0.739 -8.703 1.00 0.00 H new ATOM 0 HE22 GLN A 9 5.645 0.261 -9.844 1.00 0.00 H new ATOM 138 N PHE A 10 2.569 2.397 -6.250 1.00 0.00 N ATOM 139 CA PHE A 10 1.200 1.889 -6.539 1.00 0.00 C ATOM 140 C PHE A 10 0.182 2.705 -5.747 1.00 0.00 C ATOM 141 O PHE A 10 -0.834 3.122 -6.265 1.00 0.00 O ATOM 142 CB PHE A 10 1.102 0.418 -6.131 1.00 0.00 C ATOM 143 CG PHE A 10 -0.266 -0.110 -6.488 1.00 0.00 C ATOM 144 CD1 PHE A 10 -1.283 -0.118 -5.526 1.00 0.00 C ATOM 145 CD2 PHE A 10 -0.520 -0.588 -7.779 1.00 0.00 C ATOM 146 CE1 PHE A 10 -2.553 -0.604 -5.855 1.00 0.00 C ATOM 147 CE2 PHE A 10 -1.791 -1.074 -8.108 1.00 0.00 C ATOM 148 CZ PHE A 10 -2.808 -1.082 -7.145 1.00 0.00 C ATOM 0 H PHE A 10 3.213 1.716 -5.849 1.00 0.00 H new ATOM 0 HA PHE A 10 0.995 1.982 -7.605 1.00 0.00 H new ATOM 0 HB2 PHE A 10 1.872 -0.164 -6.638 1.00 0.00 H new ATOM 0 HB3 PHE A 10 1.276 0.314 -5.060 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -1.087 0.251 -4.530 1.00 0.00 H new ATOM 0 HD2 PHE A 10 0.265 -0.582 -8.521 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -3.337 -0.610 -5.113 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -1.987 -1.443 -9.104 1.00 0.00 H new ATOM 0 HZ PHE A 10 -3.789 -1.457 -7.398 1.00 0.00 H new ATOM 158 N VAL A 11 0.446 2.931 -4.494 1.00 0.00 N ATOM 159 CA VAL A 11 -0.504 3.718 -3.659 1.00 0.00 C ATOM 160 C VAL A 11 -0.494 5.188 -4.092 1.00 0.00 C ATOM 161 O VAL A 11 -1.527 5.803 -4.252 1.00 0.00 O ATOM 162 CB VAL A 11 -0.077 3.614 -2.193 1.00 0.00 C ATOM 163 CG1 VAL A 11 -1.017 4.446 -1.320 1.00 0.00 C ATOM 164 CG2 VAL A 11 -0.134 2.150 -1.751 1.00 0.00 C ATOM 0 H VAL A 11 1.281 2.604 -4.008 1.00 0.00 H new ATOM 0 HA VAL A 11 -1.512 3.322 -3.784 1.00 0.00 H new ATOM 0 HB VAL A 11 0.940 3.990 -2.086 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -0.709 4.369 -0.277 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -0.977 5.489 -1.634 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -2.036 4.074 -1.426 1.00 0.00 H new ATOM 0 HG21 VAL A 11 0.170 2.073 -0.707 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -1.152 1.776 -1.861 1.00 0.00 H new ATOM 0 HG23 VAL A 11 0.540 1.557 -2.369 1.00 0.00 H new ATOM 174 N VAL A 12 0.670 5.756 -4.270 1.00 0.00 N ATOM 175 CA VAL A 12 0.759 7.193 -4.674 1.00 0.00 C ATOM 176 C VAL A 12 0.203 7.404 -6.085 1.00 0.00 C ATOM 177 O VAL A 12 -0.415 8.410 -6.371 1.00 0.00 O ATOM 178 CB VAL A 12 2.221 7.633 -4.640 1.00 0.00 C ATOM 179 CG1 VAL A 12 2.345 9.044 -5.218 1.00 0.00 C ATOM 180 CG2 VAL A 12 2.721 7.630 -3.193 1.00 0.00 C ATOM 0 H VAL A 12 1.567 5.285 -4.153 1.00 0.00 H new ATOM 0 HA VAL A 12 0.167 7.786 -3.977 1.00 0.00 H new ATOM 0 HB VAL A 12 2.820 6.944 -5.234 1.00 0.00 H new ATOM 0 HG11 VAL A 12 3.389 9.357 -5.193 1.00 0.00 H new ATOM 0 HG12 VAL A 12 1.989 9.048 -6.248 1.00 0.00 H new ATOM 0 HG13 VAL A 12 1.745 9.734 -4.625 1.00 0.00 H new ATOM 0 HG21 VAL A 12 3.765 7.944 -3.168 1.00 0.00 H new ATOM 0 HG22 VAL A 12 2.120 8.319 -2.599 1.00 0.00 H new ATOM 0 HG23 VAL A 12 2.635 6.625 -2.780 1.00 0.00 H new ATOM 190 N GLU A 13 0.428 6.479 -6.973 1.00 0.00 N ATOM 191 CA GLU A 13 -0.075 6.649 -8.366 1.00 0.00 C ATOM 192 C GLU A 13 -1.599 6.761 -8.382 1.00 0.00 C ATOM 193 O GLU A 13 -2.169 7.431 -9.221 1.00 0.00 O ATOM 194 CB GLU A 13 0.368 5.464 -9.220 1.00 0.00 C ATOM 195 CG GLU A 13 1.830 5.646 -9.630 1.00 0.00 C ATOM 196 CD GLU A 13 2.278 4.448 -10.469 1.00 0.00 C ATOM 197 OE1 GLU A 13 1.525 3.492 -10.554 1.00 0.00 O ATOM 198 OE2 GLU A 13 3.369 4.506 -11.012 1.00 0.00 O ATOM 0 H GLU A 13 0.937 5.613 -6.797 1.00 0.00 H new ATOM 0 HA GLU A 13 0.341 7.569 -8.776 1.00 0.00 H new ATOM 0 HB2 GLU A 13 0.249 4.536 -8.661 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -0.262 5.386 -10.106 1.00 0.00 H new ATOM 0 HG2 GLU A 13 1.947 6.567 -10.201 1.00 0.00 H new ATOM 0 HG3 GLU A 13 2.458 5.738 -8.744 1.00 0.00 H new ATOM 205 N GLU A 14 -2.270 6.114 -7.473 1.00 0.00 N ATOM 206 CA GLU A 14 -3.757 6.195 -7.458 1.00 0.00 C ATOM 207 C GLU A 14 -4.204 7.621 -7.123 1.00 0.00 C ATOM 208 O GLU A 14 -5.232 8.079 -7.579 1.00 0.00 O ATOM 209 CB GLU A 14 -4.313 5.229 -6.410 1.00 0.00 C ATOM 210 CG GLU A 14 -4.035 3.789 -6.844 1.00 0.00 C ATOM 211 CD GLU A 14 -4.634 2.821 -5.822 1.00 0.00 C ATOM 212 OE1 GLU A 14 -4.647 1.633 -6.097 1.00 0.00 O ATOM 213 OE2 GLU A 14 -5.070 3.286 -4.781 1.00 0.00 O ATOM 0 H GLU A 14 -1.856 5.535 -6.742 1.00 0.00 H new ATOM 0 HA GLU A 14 -4.136 5.924 -8.444 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -3.853 5.423 -5.441 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -5.385 5.383 -6.291 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -4.465 3.606 -7.829 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -2.961 3.625 -6.929 1.00 0.00 H new ATOM 220 N PHE A 15 -3.452 8.322 -6.318 1.00 0.00 N ATOM 221 CA PHE A 15 -3.860 9.709 -5.948 1.00 0.00 C ATOM 222 C PHE A 15 -3.151 10.735 -6.838 1.00 0.00 C ATOM 223 O PHE A 15 -3.786 11.497 -7.539 1.00 0.00 O ATOM 224 CB PHE A 15 -3.496 9.969 -4.487 1.00 0.00 C ATOM 225 CG PHE A 15 -4.070 8.863 -3.639 1.00 0.00 C ATOM 226 CD1 PHE A 15 -5.428 8.868 -3.297 1.00 0.00 C ATOM 227 CD2 PHE A 15 -3.242 7.825 -3.207 1.00 0.00 C ATOM 228 CE1 PHE A 15 -5.955 7.829 -2.522 1.00 0.00 C ATOM 229 CE2 PHE A 15 -3.767 6.788 -2.432 1.00 0.00 C ATOM 230 CZ PHE A 15 -5.125 6.788 -2.088 1.00 0.00 C ATOM 0 H PHE A 15 -2.579 7.998 -5.903 1.00 0.00 H new ATOM 0 HA PHE A 15 -4.936 9.808 -6.089 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -2.413 10.011 -4.370 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -3.889 10.934 -4.166 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -6.067 9.672 -3.631 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -2.195 7.824 -3.472 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -7.002 7.830 -2.258 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -3.126 5.986 -2.098 1.00 0.00 H new ATOM 0 HZ PHE A 15 -5.531 5.986 -1.489 1.00 0.00 H new ATOM 240 N LEU A 16 -1.843 10.777 -6.799 1.00 0.00 N ATOM 241 CA LEU A 16 -1.104 11.776 -7.629 1.00 0.00 C ATOM 242 C LEU A 16 -0.001 11.091 -8.446 1.00 0.00 C ATOM 243 O LEU A 16 1.153 11.084 -8.062 1.00 0.00 O ATOM 244 CB LEU A 16 -0.476 12.822 -6.703 1.00 0.00 C ATOM 245 CG LEU A 16 -1.275 14.123 -6.789 1.00 0.00 C ATOM 246 CD1 LEU A 16 -2.710 13.874 -6.324 1.00 0.00 C ATOM 247 CD2 LEU A 16 -0.625 15.179 -5.892 1.00 0.00 C ATOM 0 H LEU A 16 -1.257 10.165 -6.231 1.00 0.00 H new ATOM 0 HA LEU A 16 -1.802 12.251 -8.319 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -0.466 12.456 -5.676 1.00 0.00 H new ATOM 0 HB3 LEU A 16 0.561 13.000 -6.988 1.00 0.00 H new ATOM 0 HG LEU A 16 -1.284 14.476 -7.820 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -3.279 14.802 -6.386 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -3.174 13.121 -6.962 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -2.702 13.521 -5.293 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -1.193 16.107 -5.952 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -0.616 14.825 -4.861 1.00 0.00 H new ATOM 0 HD23 LEU A 16 0.398 15.358 -6.223 1.00 0.00 H new ATOM 301 N ALA A 20 6.470 12.294 -9.400 1.00 0.00 N ATOM 302 CA ALA A 20 7.331 11.094 -9.239 1.00 0.00 C ATOM 303 C ALA A 20 7.118 10.517 -7.828 1.00 0.00 C ATOM 304 O ALA A 20 7.383 11.187 -6.849 1.00 0.00 O ATOM 305 CB ALA A 20 8.799 11.497 -9.404 1.00 0.00 C ATOM 0 HA ALA A 20 7.073 10.348 -9.990 1.00 0.00 H new ATOM 0 HB1 ALA A 20 9.433 10.618 -9.286 1.00 0.00 H new ATOM 0 HB2 ALA A 20 8.950 11.923 -10.396 1.00 0.00 H new ATOM 0 HB3 ALA A 20 9.060 12.237 -8.648 1.00 0.00 H new ATOM 311 N PRO A 21 6.631 9.297 -7.701 1.00 0.00 N ATOM 312 CA PRO A 21 6.385 8.689 -6.362 1.00 0.00 C ATOM 313 C PRO A 21 7.686 8.481 -5.583 1.00 0.00 C ATOM 314 O PRO A 21 7.699 8.472 -4.371 1.00 0.00 O ATOM 315 CB PRO A 21 5.693 7.357 -6.662 1.00 0.00 C ATOM 316 CG PRO A 21 6.004 7.041 -8.086 1.00 0.00 C ATOM 317 CD PRO A 21 6.281 8.367 -8.793 1.00 0.00 C ATOM 0 HA PRO A 21 5.777 9.336 -5.730 1.00 0.00 H new ATOM 0 HB2 PRO A 21 6.057 6.571 -6.000 1.00 0.00 H new ATOM 0 HB3 PRO A 21 4.617 7.433 -6.506 1.00 0.00 H new ATOM 0 HG2 PRO A 21 6.869 6.381 -8.154 1.00 0.00 H new ATOM 0 HG3 PRO A 21 5.169 6.521 -8.556 1.00 0.00 H new ATOM 0 HD2 PRO A 21 7.096 8.272 -9.511 1.00 0.00 H new ATOM 0 HD3 PRO A 21 5.408 8.713 -9.346 1.00 0.00 H new ATOM 325 N ALA A 22 8.778 8.322 -6.275 1.00 0.00 N ATOM 326 CA ALA A 22 10.083 8.125 -5.584 1.00 0.00 C ATOM 327 C ALA A 22 10.547 9.457 -4.988 1.00 0.00 C ATOM 328 O ALA A 22 11.456 9.508 -4.182 1.00 0.00 O ATOM 329 CB ALA A 22 11.123 7.625 -6.589 1.00 0.00 C ATOM 0 H ALA A 22 8.824 8.320 -7.294 1.00 0.00 H new ATOM 0 HA ALA A 22 9.967 7.390 -4.788 1.00 0.00 H new ATOM 0 HB1 ALA A 22 12.078 7.481 -6.083 1.00 0.00 H new ATOM 0 HB2 ALA A 22 10.791 6.678 -7.015 1.00 0.00 H new ATOM 0 HB3 ALA A 22 11.242 8.359 -7.386 1.00 0.00 H new ATOM 335 N ASP A 23 9.936 10.538 -5.392 1.00 0.00 N ATOM 336 CA ASP A 23 10.343 11.871 -4.869 1.00 0.00 C ATOM 337 C ASP A 23 9.620 12.155 -3.553 1.00 0.00 C ATOM 338 O ASP A 23 9.692 13.245 -3.021 1.00 0.00 O ATOM 339 CB ASP A 23 9.983 12.952 -5.891 1.00 0.00 C ATOM 340 CG ASP A 23 10.834 12.769 -7.150 1.00 0.00 C ATOM 341 OD1 ASP A 23 10.516 13.389 -8.151 1.00 0.00 O ATOM 342 OD2 ASP A 23 11.788 12.012 -7.090 1.00 0.00 O ATOM 0 H ASP A 23 9.169 10.554 -6.065 1.00 0.00 H new ATOM 0 HA ASP A 23 11.419 11.875 -4.696 1.00 0.00 H new ATOM 0 HB2 ASP A 23 8.924 12.891 -6.143 1.00 0.00 H new ATOM 0 HB3 ASP A 23 10.153 13.941 -5.465 1.00 0.00 H new ATOM 347 N VAL A 24 8.927 11.185 -3.023 1.00 0.00 N ATOM 348 CA VAL A 24 8.203 11.402 -1.740 1.00 0.00 C ATOM 349 C VAL A 24 8.929 10.649 -0.624 1.00 0.00 C ATOM 350 O VAL A 24 9.472 9.582 -0.832 1.00 0.00 O ATOM 351 CB VAL A 24 6.763 10.890 -1.860 1.00 0.00 C ATOM 352 CG1 VAL A 24 6.756 9.360 -1.899 1.00 0.00 C ATOM 353 CG2 VAL A 24 5.953 11.370 -0.654 1.00 0.00 C ATOM 0 H VAL A 24 8.831 10.252 -3.423 1.00 0.00 H new ATOM 0 HA VAL A 24 8.179 12.467 -1.510 1.00 0.00 H new ATOM 0 HB VAL A 24 6.320 11.275 -2.779 1.00 0.00 H new ATOM 0 HG11 VAL A 24 5.730 9.003 -1.984 1.00 0.00 H new ATOM 0 HG12 VAL A 24 7.333 9.015 -2.757 1.00 0.00 H new ATOM 0 HG13 VAL A 24 7.201 8.971 -0.983 1.00 0.00 H new ATOM 0 HG21 VAL A 24 4.928 11.008 -0.736 1.00 0.00 H new ATOM 0 HG22 VAL A 24 6.401 10.985 0.262 1.00 0.00 H new ATOM 0 HG23 VAL A 24 5.951 12.460 -0.627 1.00 0.00 H new ATOM 363 N ASP A 25 8.957 11.197 0.557 1.00 0.00 N ATOM 364 CA ASP A 25 9.661 10.506 1.670 1.00 0.00 C ATOM 365 C ASP A 25 8.883 9.246 2.051 1.00 0.00 C ATOM 366 O ASP A 25 8.059 9.260 2.945 1.00 0.00 O ATOM 367 CB ASP A 25 9.746 11.440 2.879 1.00 0.00 C ATOM 368 CG ASP A 25 10.663 12.620 2.549 1.00 0.00 C ATOM 369 OD1 ASP A 25 10.666 13.572 3.310 1.00 0.00 O ATOM 370 OD2 ASP A 25 11.345 12.550 1.540 1.00 0.00 O ATOM 0 H ASP A 25 8.525 12.089 0.799 1.00 0.00 H new ATOM 0 HA ASP A 25 10.668 10.233 1.354 1.00 0.00 H new ATOM 0 HB2 ASP A 25 8.752 11.801 3.144 1.00 0.00 H new ATOM 0 HB3 ASP A 25 10.129 10.899 3.744 1.00 0.00 H new ATOM 375 N VAL A 26 9.137 8.155 1.380 1.00 0.00 N ATOM 376 CA VAL A 26 8.409 6.897 1.707 1.00 0.00 C ATOM 377 C VAL A 26 8.705 6.502 3.156 1.00 0.00 C ATOM 378 O VAL A 26 8.211 5.510 3.653 1.00 0.00 O ATOM 379 CB VAL A 26 8.872 5.781 0.769 1.00 0.00 C ATOM 380 CG1 VAL A 26 8.619 6.196 -0.681 1.00 0.00 C ATOM 381 CG2 VAL A 26 10.368 5.532 0.972 1.00 0.00 C ATOM 0 H VAL A 26 9.815 8.081 0.622 1.00 0.00 H new ATOM 0 HA VAL A 26 7.337 7.053 1.583 1.00 0.00 H new ATOM 0 HB VAL A 26 8.317 4.869 0.989 1.00 0.00 H new ATOM 0 HG11 VAL A 26 8.949 5.401 -1.350 1.00 0.00 H new ATOM 0 HG12 VAL A 26 7.554 6.375 -0.828 1.00 0.00 H new ATOM 0 HG13 VAL A 26 9.174 7.108 -0.900 1.00 0.00 H new ATOM 0 HG21 VAL A 26 10.698 4.737 0.304 1.00 0.00 H new ATOM 0 HG22 VAL A 26 10.922 6.445 0.752 1.00 0.00 H new ATOM 0 HG23 VAL A 26 10.551 5.237 2.005 1.00 0.00 H new ATOM 391 N ASP A 27 9.499 7.280 3.840 1.00 0.00 N ATOM 392 CA ASP A 27 9.817 6.958 5.261 1.00 0.00 C ATOM 393 C ASP A 27 8.814 7.675 6.164 1.00 0.00 C ATOM 394 O ASP A 27 8.926 7.659 7.374 1.00 0.00 O ATOM 395 CB ASP A 27 11.235 7.432 5.589 1.00 0.00 C ATOM 396 CG ASP A 27 12.247 6.615 4.783 1.00 0.00 C ATOM 397 OD1 ASP A 27 11.851 5.603 4.224 1.00 0.00 O ATOM 398 OD2 ASP A 27 13.398 7.014 4.736 1.00 0.00 O ATOM 0 H ASP A 27 9.941 8.124 3.477 1.00 0.00 H new ATOM 0 HA ASP A 27 9.755 5.882 5.421 1.00 0.00 H new ATOM 0 HB2 ASP A 27 11.339 8.492 5.355 1.00 0.00 H new ATOM 0 HB3 ASP A 27 11.429 7.321 6.656 1.00 0.00 H new ATOM 403 N LEU A 28 7.834 8.303 5.577 1.00 0.00 N ATOM 404 CA LEU A 28 6.812 9.027 6.383 1.00 0.00 C ATOM 405 C LEU A 28 5.625 8.106 6.639 1.00 0.00 C ATOM 406 O LEU A 28 5.163 7.415 5.753 1.00 0.00 O ATOM 407 CB LEU A 28 6.329 10.253 5.605 1.00 0.00 C ATOM 408 CG LEU A 28 5.354 11.065 6.462 1.00 0.00 C ATOM 409 CD1 LEU A 28 6.068 12.297 7.019 1.00 0.00 C ATOM 410 CD2 LEU A 28 4.167 11.504 5.601 1.00 0.00 C ATOM 0 H LEU A 28 7.696 8.346 4.567 1.00 0.00 H new ATOM 0 HA LEU A 28 7.251 9.338 7.331 1.00 0.00 H new ATOM 0 HB2 LEU A 28 7.180 10.872 5.321 1.00 0.00 H new ATOM 0 HB3 LEU A 28 5.841 9.940 4.682 1.00 0.00 H new ATOM 0 HG LEU A 28 4.996 10.452 7.289 1.00 0.00 H new ATOM 0 HD11 LEU A 28 5.374 12.875 7.629 1.00 0.00 H new ATOM 0 HD12 LEU A 28 6.913 11.982 7.631 1.00 0.00 H new ATOM 0 HD13 LEU A 28 6.427 12.913 6.195 1.00 0.00 H new ATOM 0 HD21 LEU A 28 3.471 12.082 6.209 1.00 0.00 H new ATOM 0 HD22 LEU A 28 4.524 12.118 4.775 1.00 0.00 H new ATOM 0 HD23 LEU A 28 3.659 10.624 5.206 1.00 0.00 H new ATOM 422 N ASP A 29 5.115 8.097 7.837 1.00 0.00 N ATOM 423 CA ASP A 29 3.949 7.226 8.118 1.00 0.00 C ATOM 424 C ASP A 29 2.799 7.670 7.217 1.00 0.00 C ATOM 425 O ASP A 29 2.380 8.810 7.245 1.00 0.00 O ATOM 426 CB ASP A 29 3.540 7.363 9.586 1.00 0.00 C ATOM 427 CG ASP A 29 4.648 6.802 10.479 1.00 0.00 C ATOM 428 OD1 ASP A 29 5.524 6.134 9.954 1.00 0.00 O ATOM 429 OD2 ASP A 29 4.603 7.050 11.672 1.00 0.00 O ATOM 0 H ASP A 29 5.453 8.650 8.625 1.00 0.00 H new ATOM 0 HA ASP A 29 4.201 6.183 7.924 1.00 0.00 H new ATOM 0 HB2 ASP A 29 3.359 8.410 9.828 1.00 0.00 H new ATOM 0 HB3 ASP A 29 2.607 6.828 9.766 1.00 0.00 H new ATOM 434 N LEU A 30 2.298 6.786 6.405 1.00 0.00 N ATOM 435 CA LEU A 30 1.190 7.167 5.488 1.00 0.00 C ATOM 436 C LEU A 30 -0.083 7.431 6.295 1.00 0.00 C ATOM 437 O LEU A 30 -1.119 7.754 5.749 1.00 0.00 O ATOM 438 CB LEU A 30 0.949 6.034 4.489 1.00 0.00 C ATOM 439 CG LEU A 30 0.322 4.839 5.211 1.00 0.00 C ATOM 440 CD1 LEU A 30 -1.159 4.736 4.842 1.00 0.00 C ATOM 441 CD2 LEU A 30 1.041 3.558 4.787 1.00 0.00 C ATOM 0 H LEU A 30 2.607 5.816 6.336 1.00 0.00 H new ATOM 0 HA LEU A 30 1.460 8.075 4.948 1.00 0.00 H new ATOM 0 HB2 LEU A 30 0.292 6.374 3.689 1.00 0.00 H new ATOM 0 HB3 LEU A 30 1.890 5.739 4.025 1.00 0.00 H new ATOM 0 HG LEU A 30 0.418 4.974 6.288 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -1.604 3.885 5.357 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -1.673 5.650 5.141 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -1.257 4.600 3.765 1.00 0.00 H new ATOM 0 HD21 LEU A 30 0.597 2.705 5.300 1.00 0.00 H new ATOM 0 HD22 LEU A 30 0.943 3.425 3.710 1.00 0.00 H new ATOM 0 HD23 LEU A 30 2.097 3.629 5.049 1.00 0.00 H new ATOM 453 N VAL A 31 -0.015 7.297 7.592 1.00 0.00 N ATOM 454 CA VAL A 31 -1.224 7.543 8.424 1.00 0.00 C ATOM 455 C VAL A 31 -1.741 8.948 8.142 1.00 0.00 C ATOM 456 O VAL A 31 -2.931 9.191 8.129 1.00 0.00 O ATOM 457 CB VAL A 31 -0.869 7.420 9.906 1.00 0.00 C ATOM 458 CG1 VAL A 31 -2.075 7.823 10.756 1.00 0.00 C ATOM 459 CG2 VAL A 31 -0.483 5.976 10.221 1.00 0.00 C ATOM 0 H VAL A 31 0.823 7.029 8.108 1.00 0.00 H new ATOM 0 HA VAL A 31 -1.991 6.808 8.179 1.00 0.00 H new ATOM 0 HB VAL A 31 -0.030 8.077 10.133 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -1.821 7.735 11.812 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -2.349 8.854 10.533 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -2.916 7.167 10.529 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -0.230 5.889 11.278 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -1.321 5.317 9.993 1.00 0.00 H new ATOM 0 HG23 VAL A 31 0.378 5.690 9.617 1.00 0.00 H new ATOM 469 N ASP A 32 -0.858 9.876 7.900 1.00 0.00 N ATOM 470 CA ASP A 32 -1.317 11.258 7.600 1.00 0.00 C ATOM 471 C ASP A 32 -2.309 11.161 6.448 1.00 0.00 C ATOM 472 O ASP A 32 -3.290 11.874 6.387 1.00 0.00 O ATOM 473 CB ASP A 32 -0.124 12.124 7.187 1.00 0.00 C ATOM 474 CG ASP A 32 0.801 12.327 8.388 1.00 0.00 C ATOM 475 OD1 ASP A 32 0.389 12.002 9.490 1.00 0.00 O ATOM 476 OD2 ASP A 32 1.906 12.803 8.186 1.00 0.00 O ATOM 0 H ASP A 32 0.153 9.738 7.897 1.00 0.00 H new ATOM 0 HA ASP A 32 -1.781 11.712 8.476 1.00 0.00 H new ATOM 0 HB2 ASP A 32 0.420 11.647 6.372 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -0.472 13.088 6.816 1.00 0.00 H new ATOM 481 N ASN A 33 -2.069 10.244 5.553 1.00 0.00 N ATOM 482 CA ASN A 33 -2.999 10.041 4.417 1.00 0.00 C ATOM 483 C ASN A 33 -4.132 9.140 4.898 1.00 0.00 C ATOM 484 O ASN A 33 -4.794 8.482 4.121 1.00 0.00 O ATOM 485 CB ASN A 33 -2.266 9.372 3.260 1.00 0.00 C ATOM 486 CG ASN A 33 -1.080 10.238 2.842 1.00 0.00 C ATOM 487 OD1 ASN A 33 -1.206 11.439 2.702 1.00 0.00 O ATOM 488 ND2 ASN A 33 0.075 9.675 2.643 1.00 0.00 N ATOM 0 H ASN A 33 -1.260 9.623 5.564 1.00 0.00 H new ATOM 0 HA ASN A 33 -3.391 10.998 4.071 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -1.920 8.382 3.558 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -2.944 9.233 2.418 1.00 0.00 H new ATOM 0 HD21 ASN A 33 0.878 10.241 2.369 1.00 0.00 H new ATOM 0 HD22 ASN A 33 0.178 8.667 2.761 1.00 0.00 H new ATOM 495 N GLY A 34 -4.335 9.098 6.190 1.00 0.00 N ATOM 496 CA GLY A 34 -5.407 8.243 6.772 1.00 0.00 C ATOM 497 C GLY A 34 -6.670 8.339 5.919 1.00 0.00 C ATOM 498 O GLY A 34 -7.576 7.545 6.052 1.00 0.00 O ATOM 0 H GLY A 34 -3.795 9.628 6.874 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -5.070 7.208 6.823 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -5.622 8.559 7.793 1.00 0.00 H new ATOM 502 N VAL A 35 -6.741 9.300 5.042 1.00 0.00 N ATOM 503 CA VAL A 35 -7.951 9.417 4.185 1.00 0.00 C ATOM 504 C VAL A 35 -8.211 8.062 3.526 1.00 0.00 C ATOM 505 O VAL A 35 -9.338 7.691 3.265 1.00 0.00 O ATOM 506 CB VAL A 35 -7.720 10.475 3.106 1.00 0.00 C ATOM 507 CG1 VAL A 35 -6.888 9.868 1.983 1.00 0.00 C ATOM 508 CG2 VAL A 35 -9.068 10.940 2.550 1.00 0.00 C ATOM 0 H VAL A 35 -6.020 10.004 4.883 1.00 0.00 H new ATOM 0 HA VAL A 35 -8.809 9.711 4.790 1.00 0.00 H new ATOM 0 HB VAL A 35 -7.193 11.328 3.534 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -6.719 10.617 1.209 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -5.929 9.534 2.380 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -7.419 9.018 1.555 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -8.904 11.694 1.781 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -9.596 10.090 2.118 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -9.666 11.367 3.355 1.00 0.00 H new ATOM 518 N ILE A 36 -7.170 7.318 3.266 1.00 0.00 N ATOM 519 CA ILE A 36 -7.339 5.983 2.634 1.00 0.00 C ATOM 520 C ILE A 36 -7.902 4.992 3.651 1.00 0.00 C ATOM 521 O ILE A 36 -8.224 3.869 3.326 1.00 0.00 O ATOM 522 CB ILE A 36 -5.983 5.485 2.134 1.00 0.00 C ATOM 523 CG1 ILE A 36 -5.041 5.274 3.319 1.00 0.00 C ATOM 524 CG2 ILE A 36 -5.376 6.507 1.176 1.00 0.00 C ATOM 525 CD1 ILE A 36 -3.703 4.735 2.813 1.00 0.00 C ATOM 0 H ILE A 36 -6.205 7.581 3.466 1.00 0.00 H new ATOM 0 HA ILE A 36 -8.032 6.067 1.797 1.00 0.00 H new ATOM 0 HB ILE A 36 -6.123 4.539 1.610 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -4.890 6.214 3.850 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -5.483 4.575 4.029 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -4.410 6.146 0.823 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -6.043 6.649 0.325 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -5.241 7.456 1.694 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -3.029 4.584 3.656 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -3.863 3.786 2.302 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -3.261 5.451 2.120 1.00 0.00 H new ATOM 537 N ASP A 37 -8.003 5.394 4.881 1.00 0.00 N ATOM 538 CA ASP A 37 -8.521 4.474 5.926 1.00 0.00 C ATOM 539 C ASP A 37 -9.816 3.815 5.454 1.00 0.00 C ATOM 540 O ASP A 37 -10.047 2.648 5.698 1.00 0.00 O ATOM 541 CB ASP A 37 -8.793 5.271 7.205 1.00 0.00 C ATOM 542 CG ASP A 37 -7.466 5.707 7.827 1.00 0.00 C ATOM 543 OD1 ASP A 37 -6.438 5.230 7.376 1.00 0.00 O ATOM 544 OD2 ASP A 37 -7.501 6.511 8.745 1.00 0.00 O ATOM 0 H ASP A 37 -7.748 6.325 5.211 1.00 0.00 H new ATOM 0 HA ASP A 37 -7.780 3.698 6.120 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -9.405 6.144 6.979 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -9.356 4.662 7.913 1.00 0.00 H new ATOM 549 N SER A 38 -10.671 4.550 4.798 1.00 0.00 N ATOM 550 CA SER A 38 -11.957 3.955 4.331 1.00 0.00 C ATOM 551 C SER A 38 -12.116 4.091 2.810 1.00 0.00 C ATOM 552 O SER A 38 -12.477 3.149 2.133 1.00 0.00 O ATOM 553 CB SER A 38 -13.114 4.661 5.040 1.00 0.00 C ATOM 554 OG SER A 38 -12.709 4.996 6.379 1.00 0.00 O ATOM 0 H SER A 38 -10.536 5.534 4.565 1.00 0.00 H new ATOM 0 HA SER A 38 -11.959 2.892 4.571 1.00 0.00 H new ATOM 0 HB2 SER A 38 -13.395 5.562 4.495 1.00 0.00 H new ATOM 0 HB3 SER A 38 -13.992 4.015 5.063 1.00 0.00 H new ATOM 0 HG SER A 38 -13.445 5.451 6.839 1.00 0.00 H new ATOM 559 N LEU A 39 -11.891 5.257 2.271 1.00 0.00 N ATOM 560 CA LEU A 39 -12.076 5.444 0.800 1.00 0.00 C ATOM 561 C LEU A 39 -10.936 4.805 0.002 1.00 0.00 C ATOM 562 O LEU A 39 -11.161 4.040 -0.915 1.00 0.00 O ATOM 563 CB LEU A 39 -12.121 6.939 0.481 1.00 0.00 C ATOM 564 CG LEU A 39 -13.371 7.570 1.098 1.00 0.00 C ATOM 565 CD1 LEU A 39 -13.039 8.116 2.488 1.00 0.00 C ATOM 566 CD2 LEU A 39 -13.852 8.716 0.205 1.00 0.00 C ATOM 0 H LEU A 39 -11.588 6.087 2.781 1.00 0.00 H new ATOM 0 HA LEU A 39 -13.010 4.959 0.516 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -11.228 7.429 0.869 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -12.124 7.089 -0.599 1.00 0.00 H new ATOM 0 HG LEU A 39 -14.154 6.816 1.183 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -13.931 8.565 2.925 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -12.693 7.302 3.125 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -12.257 8.870 2.405 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -14.743 9.168 0.641 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -13.067 9.467 0.123 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -14.090 8.330 -0.786 1.00 0.00 H new ATOM 578 N GLY A 40 -9.718 5.130 0.321 1.00 0.00 N ATOM 579 CA GLY A 40 -8.569 4.562 -0.441 1.00 0.00 C ATOM 580 C GLY A 40 -8.402 3.076 -0.140 1.00 0.00 C ATOM 581 O GLY A 40 -8.164 2.279 -1.026 1.00 0.00 O ATOM 0 H GLY A 40 -9.465 5.766 1.078 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -8.729 4.706 -1.510 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -7.655 5.095 -0.181 1.00 0.00 H new ATOM 585 N LEU A 41 -8.509 2.691 1.099 1.00 0.00 N ATOM 586 CA LEU A 41 -8.334 1.251 1.433 1.00 0.00 C ATOM 587 C LEU A 41 -9.421 0.413 0.768 1.00 0.00 C ATOM 588 O LEU A 41 -9.167 -0.669 0.276 1.00 0.00 O ATOM 589 CB LEU A 41 -8.403 1.050 2.948 1.00 0.00 C ATOM 590 CG LEU A 41 -7.020 1.273 3.563 1.00 0.00 C ATOM 591 CD1 LEU A 41 -7.123 1.241 5.087 1.00 0.00 C ATOM 592 CD2 LEU A 41 -6.075 0.158 3.105 1.00 0.00 C ATOM 0 H LEU A 41 -8.708 3.304 1.889 1.00 0.00 H new ATOM 0 HA LEU A 41 -7.359 0.932 1.065 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -9.121 1.744 3.384 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -8.754 0.043 3.175 1.00 0.00 H new ATOM 0 HG LEU A 41 -6.636 2.241 3.242 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -6.136 1.400 5.522 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -7.799 2.028 5.423 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -7.508 0.272 5.405 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -5.089 0.315 3.542 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -6.466 -0.806 3.429 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -5.997 0.171 2.018 1.00 0.00 H new ATOM 604 N LEU A 42 -10.631 0.889 0.756 1.00 0.00 N ATOM 605 CA LEU A 42 -11.718 0.091 0.129 1.00 0.00 C ATOM 606 C LEU A 42 -11.393 -0.134 -1.348 1.00 0.00 C ATOM 607 O LEU A 42 -11.532 -1.225 -1.863 1.00 0.00 O ATOM 608 CB LEU A 42 -13.046 0.844 0.258 1.00 0.00 C ATOM 609 CG LEU A 42 -14.199 -0.060 -0.173 1.00 0.00 C ATOM 610 CD1 LEU A 42 -15.404 0.181 0.739 1.00 0.00 C ATOM 611 CD2 LEU A 42 -14.585 0.269 -1.613 1.00 0.00 C ATOM 0 H LEU A 42 -10.914 1.787 1.149 1.00 0.00 H new ATOM 0 HA LEU A 42 -11.802 -0.872 0.632 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -13.192 1.168 1.288 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -13.026 1.742 -0.359 1.00 0.00 H new ATOM 0 HG LEU A 42 -13.891 -1.103 -0.103 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -16.227 -0.464 0.432 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -15.131 -0.045 1.770 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -15.713 1.224 0.666 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -15.408 -0.374 -1.925 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -14.895 1.312 -1.677 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -13.728 0.104 -2.266 1.00 0.00 H new ATOM 623 N LYS A 43 -10.950 0.885 -2.031 1.00 0.00 N ATOM 624 CA LYS A 43 -10.606 0.722 -3.468 1.00 0.00 C ATOM 625 C LYS A 43 -9.389 -0.196 -3.600 1.00 0.00 C ATOM 626 O LYS A 43 -9.329 -1.047 -4.464 1.00 0.00 O ATOM 627 CB LYS A 43 -10.284 2.089 -4.065 1.00 0.00 C ATOM 628 CG LYS A 43 -11.536 2.967 -4.037 1.00 0.00 C ATOM 629 CD LYS A 43 -11.246 4.294 -4.742 1.00 0.00 C ATOM 630 CE LYS A 43 -12.457 5.219 -4.609 1.00 0.00 C ATOM 631 NZ LYS A 43 -12.562 6.077 -5.823 1.00 0.00 N ATOM 0 H LYS A 43 -10.812 1.823 -1.655 1.00 0.00 H new ATOM 0 HA LYS A 43 -11.449 0.281 -4.000 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -9.481 2.564 -3.501 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -9.929 1.976 -5.089 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -12.363 2.455 -4.529 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -11.842 3.150 -3.007 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -10.366 4.765 -4.305 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -11.024 4.118 -5.794 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -13.366 4.630 -4.487 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -12.358 5.840 -3.719 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -13.385 6.706 -5.733 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -11.698 6.648 -5.920 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -12.676 5.476 -6.664 1.00 0.00 H new ATOM 645 N VAL A 44 -8.417 -0.024 -2.744 1.00 0.00 N ATOM 646 CA VAL A 44 -7.197 -0.880 -2.812 1.00 0.00 C ATOM 647 C VAL A 44 -7.555 -2.325 -2.459 1.00 0.00 C ATOM 648 O VAL A 44 -7.077 -3.260 -3.069 1.00 0.00 O ATOM 649 CB VAL A 44 -6.158 -0.353 -1.817 1.00 0.00 C ATOM 650 CG1 VAL A 44 -4.948 -1.289 -1.792 1.00 0.00 C ATOM 651 CG2 VAL A 44 -5.709 1.045 -2.245 1.00 0.00 C ATOM 0 H VAL A 44 -8.415 0.673 -2.000 1.00 0.00 H new ATOM 0 HA VAL A 44 -6.789 -0.851 -3.822 1.00 0.00 H new ATOM 0 HB VAL A 44 -6.601 -0.308 -0.822 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -4.211 -0.912 -1.083 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -5.266 -2.286 -1.488 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -4.504 -1.337 -2.786 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -4.970 1.422 -1.538 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -5.268 0.997 -3.241 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -6.569 1.714 -2.262 1.00 0.00 H new ATOM 661 N ILE A 45 -8.386 -2.515 -1.473 1.00 0.00 N ATOM 662 CA ILE A 45 -8.770 -3.895 -1.070 1.00 0.00 C ATOM 663 C ILE A 45 -9.413 -4.618 -2.257 1.00 0.00 C ATOM 664 O ILE A 45 -9.056 -5.733 -2.581 1.00 0.00 O ATOM 665 CB ILE A 45 -9.759 -3.817 0.098 1.00 0.00 C ATOM 666 CG1 ILE A 45 -9.008 -3.984 1.425 1.00 0.00 C ATOM 667 CG2 ILE A 45 -10.808 -4.923 -0.029 1.00 0.00 C ATOM 668 CD1 ILE A 45 -8.085 -2.786 1.661 1.00 0.00 C ATOM 0 H ILE A 45 -8.818 -1.770 -0.927 1.00 0.00 H new ATOM 0 HA ILE A 45 -7.885 -4.450 -0.759 1.00 0.00 H new ATOM 0 HB ILE A 45 -10.253 -2.846 0.076 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -9.720 -4.072 2.246 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -8.425 -4.905 1.408 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -11.506 -4.860 0.805 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -11.351 -4.804 -0.967 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -10.315 -5.895 -0.017 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -7.557 -2.914 2.606 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -7.363 -2.717 0.848 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -8.678 -1.872 1.698 1.00 0.00 H new ATOM 680 N ALA A 46 -10.357 -3.996 -2.906 1.00 0.00 N ATOM 681 CA ALA A 46 -11.015 -4.655 -4.068 1.00 0.00 C ATOM 682 C ALA A 46 -9.974 -4.918 -5.157 1.00 0.00 C ATOM 683 O ALA A 46 -10.057 -5.885 -5.889 1.00 0.00 O ATOM 684 CB ALA A 46 -12.112 -3.743 -4.620 1.00 0.00 C ATOM 0 H ALA A 46 -10.701 -3.062 -2.683 1.00 0.00 H new ATOM 0 HA ALA A 46 -11.457 -5.599 -3.749 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -12.593 -4.226 -5.470 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -12.853 -3.554 -3.843 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -11.673 -2.798 -4.940 1.00 0.00 H new ATOM 690 N TRP A 47 -8.992 -4.066 -5.266 1.00 0.00 N ATOM 691 CA TRP A 47 -7.942 -4.265 -6.301 1.00 0.00 C ATOM 692 C TRP A 47 -7.104 -5.492 -5.948 1.00 0.00 C ATOM 693 O TRP A 47 -6.801 -6.316 -6.788 1.00 0.00 O ATOM 694 CB TRP A 47 -7.043 -3.028 -6.347 1.00 0.00 C ATOM 695 CG TRP A 47 -5.699 -3.402 -6.882 1.00 0.00 C ATOM 696 CD1 TRP A 47 -5.409 -3.614 -8.186 1.00 0.00 C ATOM 697 CD2 TRP A 47 -4.457 -3.608 -6.149 1.00 0.00 C ATOM 698 NE1 TRP A 47 -4.068 -3.936 -8.299 1.00 0.00 N ATOM 699 CE2 TRP A 47 -3.439 -3.944 -7.069 1.00 0.00 C ATOM 700 CE3 TRP A 47 -4.121 -3.534 -4.784 1.00 0.00 C ATOM 701 CZ2 TRP A 47 -2.132 -4.197 -6.654 1.00 0.00 C ATOM 702 CZ3 TRP A 47 -2.806 -3.790 -4.363 1.00 0.00 C ATOM 703 CH2 TRP A 47 -1.813 -4.120 -5.295 1.00 0.00 C ATOM 0 H TRP A 47 -8.872 -3.239 -4.681 1.00 0.00 H new ATOM 0 HA TRP A 47 -8.409 -4.416 -7.274 1.00 0.00 H new ATOM 0 HB2 TRP A 47 -7.495 -2.261 -6.976 1.00 0.00 H new ATOM 0 HB3 TRP A 47 -6.942 -2.602 -5.349 1.00 0.00 H new ATOM 0 HD1 TRP A 47 -6.109 -3.543 -9.005 1.00 0.00 H new ATOM 0 HE1 TRP A 47 -3.601 -4.142 -9.182 1.00 0.00 H new ATOM 0 HE3 TRP A 47 -4.878 -3.279 -4.057 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 -1.371 -4.451 -7.377 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 -2.558 -3.732 -3.313 1.00 0.00 H new ATOM 0 HH2 TRP A 47 -0.803 -4.314 -4.964 1.00 0.00 H new ATOM 714 N LEU A 48 -6.723 -5.614 -4.709 1.00 0.00 N ATOM 715 CA LEU A 48 -5.901 -6.776 -4.289 1.00 0.00 C ATOM 716 C LEU A 48 -6.691 -8.068 -4.504 1.00 0.00 C ATOM 717 O LEU A 48 -6.181 -9.042 -5.020 1.00 0.00 O ATOM 718 CB LEU A 48 -5.566 -6.621 -2.807 1.00 0.00 C ATOM 719 CG LEU A 48 -4.565 -7.686 -2.387 1.00 0.00 C ATOM 720 CD1 LEU A 48 -3.156 -7.177 -2.667 1.00 0.00 C ATOM 721 CD2 LEU A 48 -4.724 -7.964 -0.892 1.00 0.00 C ATOM 0 H LEU A 48 -6.948 -4.953 -3.965 1.00 0.00 H new ATOM 0 HA LEU A 48 -4.985 -6.819 -4.878 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -5.154 -5.629 -2.620 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -6.474 -6.707 -2.209 1.00 0.00 H new ATOM 0 HG LEU A 48 -4.740 -8.605 -2.946 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -2.430 -7.934 -2.369 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -3.049 -6.970 -3.732 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -2.980 -6.263 -2.100 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -4.008 -8.727 -0.586 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -4.541 -7.048 -0.330 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -5.736 -8.315 -0.693 1.00 0.00 H new ATOM 733 N GLU A 49 -7.938 -8.081 -4.117 1.00 0.00 N ATOM 734 CA GLU A 49 -8.765 -9.306 -4.305 1.00 0.00 C ATOM 735 C GLU A 49 -8.993 -9.556 -5.794 1.00 0.00 C ATOM 736 O GLU A 49 -9.062 -10.682 -6.239 1.00 0.00 O ATOM 737 CB GLU A 49 -10.109 -9.139 -3.583 1.00 0.00 C ATOM 738 CG GLU A 49 -11.026 -10.316 -3.914 1.00 0.00 C ATOM 739 CD GLU A 49 -12.337 -10.176 -3.140 1.00 0.00 C ATOM 740 OE1 GLU A 49 -12.496 -9.176 -2.458 1.00 0.00 O ATOM 741 OE2 GLU A 49 -13.162 -11.069 -3.241 1.00 0.00 O ATOM 0 H GLU A 49 -8.419 -7.296 -3.679 1.00 0.00 H new ATOM 0 HA GLU A 49 -8.240 -10.163 -3.882 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -9.949 -9.083 -2.506 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -10.580 -8.203 -3.884 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -11.225 -10.345 -4.985 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -10.537 -11.255 -3.655 1.00 0.00 H new ATOM 748 N ASP A 50 -9.117 -8.521 -6.573 1.00 0.00 N ATOM 749 CA ASP A 50 -9.350 -8.726 -8.028 1.00 0.00 C ATOM 750 C ASP A 50 -8.201 -9.537 -8.626 1.00 0.00 C ATOM 751 O ASP A 50 -8.405 -10.386 -9.470 1.00 0.00 O ATOM 752 CB ASP A 50 -9.433 -7.369 -8.725 1.00 0.00 C ATOM 753 CG ASP A 50 -9.872 -7.565 -10.177 1.00 0.00 C ATOM 754 OD1 ASP A 50 -11.066 -7.660 -10.408 1.00 0.00 O ATOM 755 OD2 ASP A 50 -9.006 -7.618 -11.035 1.00 0.00 O ATOM 0 H ASP A 50 -9.068 -7.549 -6.269 1.00 0.00 H new ATOM 0 HA ASP A 50 -10.285 -9.268 -8.171 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -10.141 -6.724 -8.204 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -8.464 -6.871 -8.691 1.00 0.00 H new ATOM 760 N ARG A 51 -6.993 -9.280 -8.206 1.00 0.00 N ATOM 761 CA ARG A 51 -5.838 -10.034 -8.764 1.00 0.00 C ATOM 762 C ARG A 51 -5.607 -11.337 -7.987 1.00 0.00 C ATOM 763 O ARG A 51 -5.523 -12.404 -8.562 1.00 0.00 O ATOM 764 CB ARG A 51 -4.583 -9.168 -8.670 1.00 0.00 C ATOM 765 CG ARG A 51 -4.739 -7.933 -9.557 1.00 0.00 C ATOM 766 CD ARG A 51 -3.408 -7.182 -9.613 1.00 0.00 C ATOM 767 NE ARG A 51 -2.917 -6.944 -8.226 1.00 0.00 N ATOM 768 CZ ARG A 51 -1.634 -6.898 -7.982 1.00 0.00 C ATOM 769 NH1 ARG A 51 -1.210 -6.712 -6.762 1.00 0.00 N ATOM 770 NH2 ARG A 51 -0.773 -7.029 -8.956 1.00 0.00 N ATOM 0 H ARG A 51 -6.757 -8.581 -7.501 1.00 0.00 H new ATOM 0 HA ARG A 51 -6.054 -10.281 -9.803 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -4.415 -8.866 -7.636 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -3.710 -9.742 -8.980 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -5.046 -8.228 -10.560 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -5.520 -7.283 -9.162 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -2.675 -7.760 -10.176 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -3.535 -6.233 -10.134 1.00 0.00 H new ATOM 0 HE ARG A 51 -3.584 -6.817 -7.465 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -1.880 -6.603 -6.000 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -0.209 -6.676 -6.570 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -1.101 -7.168 -9.912 1.00 0.00 H new ATOM 0 HH22 ARG A 51 0.227 -6.992 -8.761 1.00 0.00 H new ATOM 784 N PHE A 52 -5.468 -11.256 -6.690 1.00 0.00 N ATOM 785 CA PHE A 52 -5.203 -12.485 -5.886 1.00 0.00 C ATOM 786 C PHE A 52 -6.493 -13.269 -5.623 1.00 0.00 C ATOM 787 O PHE A 52 -6.459 -14.463 -5.399 1.00 0.00 O ATOM 788 CB PHE A 52 -4.576 -12.078 -4.554 1.00 0.00 C ATOM 789 CG PHE A 52 -3.208 -11.489 -4.802 1.00 0.00 C ATOM 790 CD1 PHE A 52 -3.059 -10.105 -4.953 1.00 0.00 C ATOM 791 CD2 PHE A 52 -2.089 -12.326 -4.879 1.00 0.00 C ATOM 792 CE1 PHE A 52 -1.790 -9.559 -5.181 1.00 0.00 C ATOM 793 CE2 PHE A 52 -0.820 -11.779 -5.108 1.00 0.00 C ATOM 794 CZ PHE A 52 -0.671 -10.396 -5.260 1.00 0.00 C ATOM 0 H PHE A 52 -5.527 -10.391 -6.152 1.00 0.00 H new ATOM 0 HA PHE A 52 -4.526 -13.128 -6.448 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -5.211 -11.351 -4.048 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -4.497 -12.944 -3.897 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -3.922 -9.459 -4.894 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -2.204 -13.393 -4.762 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -1.675 -8.491 -5.296 1.00 0.00 H new ATOM 0 HE2 PHE A 52 0.044 -12.425 -5.167 1.00 0.00 H new ATOM 0 HZ PHE A 52 0.307 -9.975 -5.438 1.00 0.00 H new ATOM 804 N GLY A 53 -7.627 -12.625 -5.639 1.00 0.00 N ATOM 805 CA GLY A 53 -8.894 -13.369 -5.378 1.00 0.00 C ATOM 806 C GLY A 53 -9.026 -13.650 -3.878 1.00 0.00 C ATOM 807 O GLY A 53 -9.460 -14.708 -3.472 1.00 0.00 O ATOM 0 H GLY A 53 -7.733 -11.627 -5.819 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -9.747 -12.787 -5.726 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -8.899 -14.306 -5.935 1.00 0.00 H new ATOM 811 N ILE A 54 -8.651 -12.710 -3.051 1.00 0.00 N ATOM 812 CA ILE A 54 -8.751 -12.924 -1.578 1.00 0.00 C ATOM 813 C ILE A 54 -9.967 -12.169 -1.038 1.00 0.00 C ATOM 814 O ILE A 54 -10.240 -11.056 -1.426 1.00 0.00 O ATOM 815 CB ILE A 54 -7.486 -12.393 -0.906 1.00 0.00 C ATOM 816 CG1 ILE A 54 -6.262 -13.073 -1.518 1.00 0.00 C ATOM 817 CG2 ILE A 54 -7.539 -12.694 0.593 1.00 0.00 C ATOM 818 CD1 ILE A 54 -4.996 -12.338 -1.076 1.00 0.00 C ATOM 0 H ILE A 54 -8.280 -11.803 -3.333 1.00 0.00 H new ATOM 0 HA ILE A 54 -8.859 -13.988 -1.368 1.00 0.00 H new ATOM 0 HB ILE A 54 -7.419 -11.316 -1.058 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -6.218 -14.116 -1.205 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -6.336 -13.069 -2.605 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -6.636 -12.315 1.072 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -8.412 -12.211 1.031 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -7.606 -13.771 0.746 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -4.123 -12.823 -1.512 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -5.041 -11.302 -1.411 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -4.921 -12.365 0.011 1.00 0.00 H new ATOM 830 N ALA A 55 -10.704 -12.761 -0.144 1.00 0.00 N ATOM 831 CA ALA A 55 -11.901 -12.064 0.400 1.00 0.00 C ATOM 832 C ALA A 55 -11.463 -10.775 1.094 1.00 0.00 C ATOM 833 O ALA A 55 -10.443 -10.726 1.752 1.00 0.00 O ATOM 834 CB ALA A 55 -12.605 -12.973 1.411 1.00 0.00 C ATOM 0 H ALA A 55 -10.532 -13.693 0.233 1.00 0.00 H new ATOM 0 HA ALA A 55 -12.587 -11.827 -0.413 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -13.482 -12.463 1.810 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -12.914 -13.895 0.918 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -11.921 -13.209 2.226 1.00 0.00 H new ATOM 840 N ALA A 56 -12.224 -9.726 0.945 1.00 0.00 N ATOM 841 CA ALA A 56 -11.850 -8.436 1.586 1.00 0.00 C ATOM 842 C ALA A 56 -11.786 -8.624 3.104 1.00 0.00 C ATOM 843 O ALA A 56 -10.981 -8.018 3.783 1.00 0.00 O ATOM 844 CB ALA A 56 -12.900 -7.376 1.248 1.00 0.00 C ATOM 0 H ALA A 56 -13.090 -9.707 0.406 1.00 0.00 H new ATOM 0 HA ALA A 56 -10.876 -8.114 1.217 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -12.627 -6.431 1.717 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -12.949 -7.244 0.167 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -13.873 -7.697 1.619 1.00 0.00 H new ATOM 924 N SER A 62 -6.918 -3.522 10.602 1.00 0.00 N ATOM 925 CA SER A 62 -6.346 -2.782 11.763 1.00 0.00 C ATOM 926 C SER A 62 -5.508 -1.595 11.251 1.00 0.00 C ATOM 927 O SER A 62 -4.673 -1.764 10.386 1.00 0.00 O ATOM 928 CB SER A 62 -5.451 -3.723 12.572 1.00 0.00 C ATOM 929 OG SER A 62 -5.874 -3.721 13.929 1.00 0.00 O ATOM 0 HA SER A 62 -7.154 -2.412 12.394 1.00 0.00 H new ATOM 0 HB2 SER A 62 -5.502 -4.733 12.164 1.00 0.00 H new ATOM 0 HB3 SER A 62 -4.411 -3.404 12.503 1.00 0.00 H new ATOM 0 HG SER A 62 -5.304 -4.324 14.450 1.00 0.00 H new ATOM 935 N PRO A 63 -5.724 -0.398 11.762 1.00 0.00 N ATOM 936 CA PRO A 63 -4.961 0.802 11.308 1.00 0.00 C ATOM 937 C PRO A 63 -3.465 0.690 11.614 1.00 0.00 C ATOM 938 O PRO A 63 -2.636 1.264 10.936 1.00 0.00 O ATOM 939 CB PRO A 63 -5.582 1.972 12.077 1.00 0.00 C ATOM 940 CG PRO A 63 -6.331 1.371 13.218 1.00 0.00 C ATOM 941 CD PRO A 63 -6.693 -0.057 12.819 1.00 0.00 C ATOM 0 HA PRO A 63 -5.026 0.924 10.227 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -4.812 2.655 12.434 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -6.248 2.549 11.436 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -5.722 1.375 14.122 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -7.229 1.949 13.436 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -6.614 -0.739 13.666 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -7.718 -0.120 12.454 1.00 0.00 H new ATOM 949 N GLU A 64 -3.115 -0.046 12.632 1.00 0.00 N ATOM 950 CA GLU A 64 -1.677 -0.197 12.989 1.00 0.00 C ATOM 951 C GLU A 64 -0.930 -0.882 11.843 1.00 0.00 C ATOM 952 O GLU A 64 0.255 -0.685 11.657 1.00 0.00 O ATOM 953 CB GLU A 64 -1.553 -1.042 14.255 1.00 0.00 C ATOM 954 CG GLU A 64 -2.194 -0.308 15.425 1.00 0.00 C ATOM 955 CD GLU A 64 -2.007 -1.122 16.706 1.00 0.00 C ATOM 956 OE1 GLU A 64 -1.559 -2.252 16.607 1.00 0.00 O ATOM 957 OE2 GLU A 64 -2.315 -0.601 17.766 1.00 0.00 O ATOM 0 H GLU A 64 -3.765 -0.551 13.234 1.00 0.00 H new ATOM 0 HA GLU A 64 -1.244 0.788 13.164 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -2.038 -2.007 14.109 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -0.503 -1.242 14.469 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -1.743 0.678 15.540 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -3.256 -0.153 15.232 1.00 0.00 H new ATOM 964 N HIS A 65 -1.610 -1.692 11.080 1.00 0.00 N ATOM 965 CA HIS A 65 -0.933 -2.395 9.953 1.00 0.00 C ATOM 966 C HIS A 65 -0.524 -1.387 8.877 1.00 0.00 C ATOM 967 O HIS A 65 0.412 -1.605 8.134 1.00 0.00 O ATOM 968 CB HIS A 65 -1.890 -3.424 9.348 1.00 0.00 C ATOM 969 CG HIS A 65 -1.227 -4.100 8.181 1.00 0.00 C ATOM 970 ND1 HIS A 65 -1.895 -4.344 6.988 1.00 0.00 N ATOM 971 CD2 HIS A 65 0.046 -4.585 8.004 1.00 0.00 C ATOM 972 CE1 HIS A 65 -1.030 -4.951 6.155 1.00 0.00 C ATOM 973 NE2 HIS A 65 0.164 -5.119 6.725 1.00 0.00 N ATOM 0 H HIS A 65 -2.603 -1.898 11.187 1.00 0.00 H new ATOM 0 HA HIS A 65 -0.042 -2.897 10.329 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -2.169 -4.163 10.099 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -2.809 -2.935 9.025 1.00 0.00 H new ATOM 0 HD1 HIS A 65 -2.865 -4.106 6.781 1.00 0.00 H new ATOM 0 HD2 HIS A 65 0.833 -4.556 8.743 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -1.272 -5.263 5.150 1.00 0.00 H new ATOM 982 N PHE A 66 -1.220 -0.287 8.782 1.00 0.00 N ATOM 983 CA PHE A 66 -0.874 0.729 7.750 1.00 0.00 C ATOM 984 C PHE A 66 -0.114 1.890 8.394 1.00 0.00 C ATOM 985 O PHE A 66 0.057 2.936 7.800 1.00 0.00 O ATOM 986 CB PHE A 66 -2.159 1.235 7.096 1.00 0.00 C ATOM 987 CG PHE A 66 -2.753 0.123 6.268 1.00 0.00 C ATOM 988 CD1 PHE A 66 -2.606 0.133 4.876 1.00 0.00 C ATOM 989 CD2 PHE A 66 -3.433 -0.928 6.894 1.00 0.00 C ATOM 990 CE1 PHE A 66 -3.140 -0.909 4.110 1.00 0.00 C ATOM 991 CE2 PHE A 66 -3.970 -1.968 6.127 1.00 0.00 C ATOM 992 CZ PHE A 66 -3.822 -1.959 4.735 1.00 0.00 C ATOM 0 H PHE A 66 -2.014 -0.049 9.376 1.00 0.00 H new ATOM 0 HA PHE A 66 -0.236 0.278 6.990 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -2.868 1.559 7.858 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -1.948 2.101 6.469 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -2.081 0.944 4.394 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -3.543 -0.936 7.968 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -3.026 -0.903 3.036 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -4.498 -2.777 6.609 1.00 0.00 H new ATOM 0 HZ PHE A 66 -4.234 -2.763 4.143 1.00 0.00 H new ATOM 1002 N ARG A 67 0.347 1.714 9.601 1.00 0.00 N ATOM 1003 CA ARG A 67 1.099 2.809 10.276 1.00 0.00 C ATOM 1004 C ARG A 67 2.240 3.266 9.362 1.00 0.00 C ATOM 1005 O ARG A 67 2.562 4.435 9.289 1.00 0.00 O ATOM 1006 CB ARG A 67 1.673 2.288 11.602 1.00 0.00 C ATOM 1007 CG ARG A 67 2.412 3.407 12.351 1.00 0.00 C ATOM 1008 CD ARG A 67 1.409 4.325 13.057 1.00 0.00 C ATOM 1009 NE ARG A 67 2.149 5.356 13.837 1.00 0.00 N ATOM 1010 CZ ARG A 67 1.523 6.410 14.287 1.00 0.00 C ATOM 1011 NH1 ARG A 67 2.174 7.312 14.970 1.00 0.00 N ATOM 1012 NH2 ARG A 67 0.249 6.562 14.052 1.00 0.00 N ATOM 0 H ARG A 67 0.236 0.861 10.149 1.00 0.00 H new ATOM 0 HA ARG A 67 0.434 3.649 10.478 1.00 0.00 H new ATOM 0 HB2 ARG A 67 0.868 1.898 12.224 1.00 0.00 H new ATOM 0 HB3 ARG A 67 2.356 1.461 11.408 1.00 0.00 H new ATOM 0 HG2 ARG A 67 3.097 2.975 13.081 1.00 0.00 H new ATOM 0 HG3 ARG A 67 3.015 3.986 11.651 1.00 0.00 H new ATOM 0 HD2 ARG A 67 0.759 4.804 12.325 1.00 0.00 H new ATOM 0 HD3 ARG A 67 0.769 3.742 13.719 1.00 0.00 H new ATOM 0 HE ARG A 67 3.146 5.239 14.020 1.00 0.00 H new ATOM 0 HH11 ARG A 67 3.171 7.193 15.152 1.00 0.00 H new ATOM 0 HH12 ARG A 67 1.686 8.136 15.322 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -0.258 5.858 13.517 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -0.240 7.385 14.404 1.00 0.00 H new ATOM 1026 N SER A 68 2.851 2.350 8.662 1.00 0.00 N ATOM 1027 CA SER A 68 3.968 2.724 7.749 1.00 0.00 C ATOM 1028 C SER A 68 3.911 1.855 6.490 1.00 0.00 C ATOM 1029 O SER A 68 3.517 0.707 6.534 1.00 0.00 O ATOM 1030 CB SER A 68 5.306 2.506 8.459 1.00 0.00 C ATOM 1031 OG SER A 68 6.360 2.960 7.620 1.00 0.00 O ATOM 0 H SER A 68 2.624 1.356 8.683 1.00 0.00 H new ATOM 0 HA SER A 68 3.872 3.774 7.471 1.00 0.00 H new ATOM 0 HB2 SER A 68 5.321 3.046 9.406 1.00 0.00 H new ATOM 0 HB3 SER A 68 5.440 1.450 8.692 1.00 0.00 H new ATOM 0 HG SER A 68 7.222 2.780 8.051 1.00 0.00 H new ATOM 1037 N ILE A 69 4.301 2.395 5.368 1.00 0.00 N ATOM 1038 CA ILE A 69 4.271 1.609 4.108 1.00 0.00 C ATOM 1039 C ILE A 69 5.162 0.372 4.244 1.00 0.00 C ATOM 1040 O ILE A 69 4.843 -0.693 3.754 1.00 0.00 O ATOM 1041 CB ILE A 69 4.792 2.485 2.970 1.00 0.00 C ATOM 1042 CG1 ILE A 69 3.929 3.734 2.842 1.00 0.00 C ATOM 1043 CG2 ILE A 69 4.729 1.712 1.666 1.00 0.00 C ATOM 1044 CD1 ILE A 69 4.510 4.650 1.764 1.00 0.00 C ATOM 0 H ILE A 69 4.640 3.352 5.272 1.00 0.00 H new ATOM 0 HA ILE A 69 3.250 1.290 3.900 1.00 0.00 H new ATOM 0 HB ILE A 69 5.822 2.770 3.185 1.00 0.00 H new ATOM 0 HG12 ILE A 69 2.906 3.457 2.586 1.00 0.00 H new ATOM 0 HG13 ILE A 69 3.888 4.259 3.796 1.00 0.00 H new ATOM 0 HG21 ILE A 69 5.101 2.337 0.854 1.00 0.00 H new ATOM 0 HG22 ILE A 69 5.344 0.815 1.744 1.00 0.00 H new ATOM 0 HG23 ILE A 69 3.697 1.427 1.461 1.00 0.00 H new ATOM 0 HD11 ILE A 69 3.892 5.543 1.673 1.00 0.00 H new ATOM 0 HD12 ILE A 69 5.525 4.938 2.039 1.00 0.00 H new ATOM 0 HD13 ILE A 69 4.528 4.123 0.810 1.00 0.00 H new ATOM 1056 N ARG A 70 6.284 0.509 4.897 1.00 0.00 N ATOM 1057 CA ARG A 70 7.207 -0.653 5.055 1.00 0.00 C ATOM 1058 C ARG A 70 6.524 -1.780 5.835 1.00 0.00 C ATOM 1059 O ARG A 70 6.684 -2.944 5.523 1.00 0.00 O ATOM 1060 CB ARG A 70 8.457 -0.202 5.812 1.00 0.00 C ATOM 1061 CG ARG A 70 8.063 0.206 7.230 1.00 0.00 C ATOM 1062 CD ARG A 70 9.232 0.933 7.897 1.00 0.00 C ATOM 1063 NE ARG A 70 8.895 1.210 9.322 1.00 0.00 N ATOM 1064 CZ ARG A 70 8.882 0.236 10.189 1.00 0.00 C ATOM 1065 NH1 ARG A 70 8.589 0.478 11.438 1.00 0.00 N ATOM 1066 NH2 ARG A 70 9.163 -0.981 9.810 1.00 0.00 N ATOM 0 H ARG A 70 6.602 1.376 5.329 1.00 0.00 H new ATOM 0 HA ARG A 70 7.479 -1.024 4.067 1.00 0.00 H new ATOM 0 HB2 ARG A 70 9.189 -1.009 5.843 1.00 0.00 H new ATOM 0 HB3 ARG A 70 8.927 0.636 5.297 1.00 0.00 H new ATOM 0 HG2 ARG A 70 7.187 0.853 7.203 1.00 0.00 H new ATOM 0 HG3 ARG A 70 7.790 -0.675 7.811 1.00 0.00 H new ATOM 0 HD2 ARG A 70 10.135 0.325 7.837 1.00 0.00 H new ATOM 0 HD3 ARG A 70 9.441 1.866 7.373 1.00 0.00 H new ATOM 0 HE ARG A 70 8.675 2.161 9.619 1.00 0.00 H new ATOM 0 HH11 ARG A 70 8.370 1.429 11.736 1.00 0.00 H new ATOM 0 HH12 ARG A 70 8.579 -0.284 12.116 1.00 0.00 H new ATOM 0 HH21 ARG A 70 9.393 -1.171 8.835 1.00 0.00 H new ATOM 0 HH22 ARG A 70 9.152 -1.742 10.489 1.00 0.00 H new ATOM 1080 N SER A 71 5.777 -1.452 6.852 1.00 0.00 N ATOM 1081 CA SER A 71 5.103 -2.513 7.650 1.00 0.00 C ATOM 1082 C SER A 71 4.131 -3.296 6.766 1.00 0.00 C ATOM 1083 O SER A 71 3.976 -4.492 6.910 1.00 0.00 O ATOM 1084 CB SER A 71 4.335 -1.862 8.799 1.00 0.00 C ATOM 1085 OG SER A 71 3.236 -1.129 8.274 1.00 0.00 O ATOM 0 H SER A 71 5.604 -0.497 7.165 1.00 0.00 H new ATOM 0 HA SER A 71 5.853 -3.198 8.046 1.00 0.00 H new ATOM 0 HB2 SER A 71 3.980 -2.624 9.493 1.00 0.00 H new ATOM 0 HB3 SER A 71 4.993 -1.200 9.362 1.00 0.00 H new ATOM 0 HG SER A 71 3.518 -0.651 7.466 1.00 0.00 H new ATOM 1091 N ILE A 72 3.472 -2.636 5.853 1.00 0.00 N ATOM 1092 CA ILE A 72 2.516 -3.349 4.969 1.00 0.00 C ATOM 1093 C ILE A 72 3.270 -4.344 4.086 1.00 0.00 C ATOM 1094 O ILE A 72 2.821 -5.450 3.859 1.00 0.00 O ATOM 1095 CB ILE A 72 1.794 -2.329 4.092 1.00 0.00 C ATOM 1096 CG1 ILE A 72 1.040 -1.341 4.983 1.00 0.00 C ATOM 1097 CG2 ILE A 72 0.807 -3.053 3.185 1.00 0.00 C ATOM 1098 CD1 ILE A 72 0.393 -0.263 4.114 1.00 0.00 C ATOM 0 H ILE A 72 3.557 -1.634 5.683 1.00 0.00 H new ATOM 0 HA ILE A 72 1.791 -3.892 5.576 1.00 0.00 H new ATOM 0 HB ILE A 72 2.519 -1.789 3.482 1.00 0.00 H new ATOM 0 HG12 ILE A 72 0.278 -1.864 5.560 1.00 0.00 H new ATOM 0 HG13 ILE A 72 1.724 -0.885 5.698 1.00 0.00 H new ATOM 0 HG21 ILE A 72 0.290 -2.327 2.557 1.00 0.00 H new ATOM 0 HG22 ILE A 72 1.345 -3.761 2.554 1.00 0.00 H new ATOM 0 HG23 ILE A 72 0.080 -3.590 3.794 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -0.145 0.442 4.748 1.00 0.00 H new ATOM 0 HD12 ILE A 72 1.165 0.267 3.557 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -0.304 -0.728 3.416 1.00 0.00 H new ATOM 1110 N ASP A 73 4.410 -3.960 3.583 1.00 0.00 N ATOM 1111 CA ASP A 73 5.188 -4.886 2.713 1.00 0.00 C ATOM 1112 C ASP A 73 5.513 -6.166 3.483 1.00 0.00 C ATOM 1113 O ASP A 73 5.495 -7.251 2.935 1.00 0.00 O ATOM 1114 CB ASP A 73 6.489 -4.209 2.278 1.00 0.00 C ATOM 1115 CG ASP A 73 7.166 -5.054 1.199 1.00 0.00 C ATOM 1116 OD1 ASP A 73 8.250 -4.686 0.778 1.00 0.00 O ATOM 1117 OD2 ASP A 73 6.590 -6.058 0.811 1.00 0.00 O ATOM 0 H ASP A 73 4.836 -3.046 3.736 1.00 0.00 H new ATOM 0 HA ASP A 73 4.595 -5.135 1.833 1.00 0.00 H new ATOM 0 HB2 ASP A 73 6.281 -3.210 1.896 1.00 0.00 H new ATOM 0 HB3 ASP A 73 7.154 -4.091 3.134 1.00 0.00 H new ATOM 1122 N ALA A 74 5.813 -6.053 4.747 1.00 0.00 N ATOM 1123 CA ALA A 74 6.141 -7.270 5.540 1.00 0.00 C ATOM 1124 C ALA A 74 4.925 -8.196 5.585 1.00 0.00 C ATOM 1125 O ALA A 74 5.043 -9.399 5.454 1.00 0.00 O ATOM 1126 CB ALA A 74 6.526 -6.865 6.964 1.00 0.00 C ATOM 0 H ALA A 74 5.845 -5.174 5.263 1.00 0.00 H new ATOM 0 HA ALA A 74 6.976 -7.791 5.072 1.00 0.00 H new ATOM 0 HB1 ALA A 74 6.766 -7.756 7.544 1.00 0.00 H new ATOM 0 HB2 ALA A 74 7.395 -6.208 6.933 1.00 0.00 H new ATOM 0 HB3 ALA A 74 5.692 -6.342 7.432 1.00 0.00 H new ATOM 1132 N PHE A 75 3.757 -7.646 5.763 1.00 0.00 N ATOM 1133 CA PHE A 75 2.535 -8.496 5.811 1.00 0.00 C ATOM 1134 C PHE A 75 2.340 -9.181 4.457 1.00 0.00 C ATOM 1135 O PHE A 75 2.103 -10.371 4.379 1.00 0.00 O ATOM 1136 CB PHE A 75 1.320 -7.624 6.120 1.00 0.00 C ATOM 1137 CG PHE A 75 0.105 -8.499 6.309 1.00 0.00 C ATOM 1138 CD1 PHE A 75 -0.755 -8.746 5.233 1.00 0.00 C ATOM 1139 CD2 PHE A 75 -0.162 -9.063 7.562 1.00 0.00 C ATOM 1140 CE1 PHE A 75 -1.883 -9.556 5.409 1.00 0.00 C ATOM 1141 CE2 PHE A 75 -1.290 -9.874 7.739 1.00 0.00 C ATOM 1142 CZ PHE A 75 -2.150 -10.121 6.662 1.00 0.00 C ATOM 0 H PHE A 75 3.595 -6.645 5.877 1.00 0.00 H new ATOM 0 HA PHE A 75 2.647 -9.251 6.589 1.00 0.00 H new ATOM 0 HB2 PHE A 75 1.501 -7.036 7.020 1.00 0.00 H new ATOM 0 HB3 PHE A 75 1.150 -6.918 5.307 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -0.548 -8.311 4.266 1.00 0.00 H new ATOM 0 HD2 PHE A 75 0.502 -8.873 8.392 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -2.547 -9.745 4.579 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -1.496 -10.309 8.706 1.00 0.00 H new ATOM 0 HZ PHE A 75 -3.019 -10.747 6.798 1.00 0.00 H new ATOM 1152 N VAL A 76 2.440 -8.438 3.388 1.00 0.00 N ATOM 1153 CA VAL A 76 2.264 -9.039 2.042 1.00 0.00 C ATOM 1154 C VAL A 76 3.376 -10.058 1.787 1.00 0.00 C ATOM 1155 O VAL A 76 3.137 -11.133 1.277 1.00 0.00 O ATOM 1156 CB VAL A 76 2.334 -7.931 0.994 1.00 0.00 C ATOM 1157 CG1 VAL A 76 2.389 -8.555 -0.396 1.00 0.00 C ATOM 1158 CG2 VAL A 76 1.091 -7.044 1.105 1.00 0.00 C ATOM 0 H VAL A 76 2.637 -7.437 3.393 1.00 0.00 H new ATOM 0 HA VAL A 76 1.299 -9.542 1.984 1.00 0.00 H new ATOM 0 HB VAL A 76 3.226 -7.327 1.160 1.00 0.00 H new ATOM 0 HG11 VAL A 76 2.439 -7.767 -1.147 1.00 0.00 H new ATOM 0 HG12 VAL A 76 3.272 -9.189 -0.476 1.00 0.00 H new ATOM 0 HG13 VAL A 76 1.495 -9.156 -0.560 1.00 0.00 H new ATOM 0 HG21 VAL A 76 1.141 -6.253 0.357 1.00 0.00 H new ATOM 0 HG22 VAL A 76 0.198 -7.646 0.937 1.00 0.00 H new ATOM 0 HG23 VAL A 76 1.048 -6.601 2.100 1.00 0.00 H new ATOM 1168 N VAL A 77 4.589 -9.731 2.143 1.00 0.00 N ATOM 1169 CA VAL A 77 5.713 -10.678 1.924 1.00 0.00 C ATOM 1170 C VAL A 77 5.433 -11.984 2.667 1.00 0.00 C ATOM 1171 O VAL A 77 5.688 -13.063 2.169 1.00 0.00 O ATOM 1172 CB VAL A 77 7.000 -10.052 2.457 1.00 0.00 C ATOM 1173 CG1 VAL A 77 8.091 -11.116 2.511 1.00 0.00 C ATOM 1174 CG2 VAL A 77 7.441 -8.919 1.528 1.00 0.00 C ATOM 0 H VAL A 77 4.848 -8.845 2.577 1.00 0.00 H new ATOM 0 HA VAL A 77 5.818 -10.887 0.859 1.00 0.00 H new ATOM 0 HB VAL A 77 6.825 -9.653 3.456 1.00 0.00 H new ATOM 0 HG11 VAL A 77 9.012 -10.674 2.891 1.00 0.00 H new ATOM 0 HG12 VAL A 77 7.778 -11.925 3.171 1.00 0.00 H new ATOM 0 HG13 VAL A 77 8.264 -11.511 1.510 1.00 0.00 H new ATOM 0 HG21 VAL A 77 8.360 -8.473 1.909 1.00 0.00 H new ATOM 0 HG22 VAL A 77 7.618 -9.316 0.528 1.00 0.00 H new ATOM 0 HG23 VAL A 77 6.660 -8.160 1.484 1.00 0.00 H new ATOM 1184 N GLY A 78 4.918 -11.893 3.860 1.00 0.00 N ATOM 1185 CA GLY A 78 4.627 -13.122 4.649 1.00 0.00 C ATOM 1186 C GLY A 78 3.624 -14.013 3.909 1.00 0.00 C ATOM 1187 O GLY A 78 3.662 -15.222 4.022 1.00 0.00 O ATOM 0 H GLY A 78 4.685 -11.016 4.325 1.00 0.00 H new ATOM 0 HA2 GLY A 78 5.550 -13.674 4.826 1.00 0.00 H new ATOM 0 HA3 GLY A 78 4.227 -12.848 5.625 1.00 0.00 H new ATOM 1191 N ALA A 79 2.715 -13.433 3.167 1.00 0.00 N ATOM 1192 CA ALA A 79 1.708 -14.268 2.446 1.00 0.00 C ATOM 1193 C ALA A 79 2.062 -14.383 0.962 1.00 0.00 C ATOM 1194 O ALA A 79 2.099 -15.464 0.409 1.00 0.00 O ATOM 1195 CB ALA A 79 0.326 -13.624 2.586 1.00 0.00 C ATOM 0 H ALA A 79 2.627 -12.426 3.030 1.00 0.00 H new ATOM 0 HA ALA A 79 1.705 -15.267 2.883 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -0.413 -14.230 2.061 1.00 0.00 H new ATOM 0 HB2 ALA A 79 0.060 -13.560 3.641 1.00 0.00 H new ATOM 0 HB3 ALA A 79 0.346 -12.623 2.156 1.00 0.00 H new ATOM 1201 N THR A 80 2.315 -13.280 0.313 1.00 0.00 N ATOM 1202 CA THR A 80 2.662 -13.328 -1.138 1.00 0.00 C ATOM 1203 C THR A 80 3.944 -12.533 -1.383 1.00 0.00 C ATOM 1204 O THR A 80 4.294 -11.656 -0.624 1.00 0.00 O ATOM 1205 CB THR A 80 1.521 -12.716 -1.954 1.00 0.00 C ATOM 1206 OG1 THR A 80 1.549 -11.302 -1.820 1.00 0.00 O ATOM 1207 CG2 THR A 80 0.182 -13.252 -1.445 1.00 0.00 C ATOM 0 H THR A 80 2.297 -12.347 0.724 1.00 0.00 H new ATOM 0 HA THR A 80 2.813 -14.364 -1.441 1.00 0.00 H new ATOM 0 HB THR A 80 1.641 -12.984 -3.004 1.00 0.00 H new ATOM 0 HG1 THR A 80 0.820 -10.909 -2.344 1.00 0.00 H new ATOM 0 HG21 THR A 80 -0.630 -12.815 -2.027 1.00 0.00 H new ATOM 0 HG22 THR A 80 0.161 -14.337 -1.550 1.00 0.00 H new ATOM 0 HG23 THR A 80 0.059 -12.986 -0.395 1.00 0.00 H new ATOM 1215 N THR A 81 4.645 -12.829 -2.442 1.00 0.00 N ATOM 1216 CA THR A 81 5.900 -12.088 -2.736 1.00 0.00 C ATOM 1217 C THR A 81 5.948 -11.734 -4.227 1.00 0.00 C ATOM 1218 O THR A 81 6.470 -12.483 -5.029 1.00 0.00 O ATOM 1219 CB THR A 81 7.097 -12.969 -2.377 1.00 0.00 C ATOM 1220 OG1 THR A 81 8.255 -12.491 -3.047 1.00 0.00 O ATOM 1221 CG2 THR A 81 6.817 -14.412 -2.799 1.00 0.00 C ATOM 0 H THR A 81 4.401 -13.554 -3.117 1.00 0.00 H new ATOM 0 HA THR A 81 5.933 -11.170 -2.149 1.00 0.00 H new ATOM 0 HB THR A 81 7.262 -12.935 -1.300 1.00 0.00 H new ATOM 0 HG1 THR A 81 9.023 -13.055 -2.816 1.00 0.00 H new ATOM 0 HG21 THR A 81 7.671 -15.038 -2.542 1.00 0.00 H new ATOM 0 HG22 THR A 81 5.930 -14.777 -2.281 1.00 0.00 H new ATOM 0 HG23 THR A 81 6.649 -14.450 -3.875 1.00 0.00 H new